A0A3B3VDF4_9TELE Loading...

Integrator complex subunit 2

AlphaFold DB , UniProt , Accession A0A3B3VDF4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 1,207 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
1M27Very low56.5Low248 Ų24896.4 Ų96.4100%1.22260%0.6SS**  097.20-60.3-61.6-160.500106.7
2A29.6Very low58.9Low91 Ų9193.3 Ų93.375%0.75258%0.584SS**  trans-150.790.3178.300000106.5
3D30.1Very low61Low174 Ų17493.5 Ų93.593%0.9357%0.568SS**  trans-170.472.2171.3-95-31.9000106.9
4S34.3Very low62.7Low107 Ų10786.9 Ų86.975%0.74853%0.528SS*.  trans-144.8126172.352.90000107.2G6S4-G6 PolarHBondContact O-N 3.39Å
5A38.5Very low64.3Low96 Ų9681.1 Ų81.179%0.79349%0.493SS*.  trans-57.3127.2168.200000107.9L7A5-L7 PolarHBondContact O-N 3.43Å
6G57.9Low65.7Low76 Ų7679.9 Ų79.978%0.78448%0.48SS*.  trans-66.8106.6-170.700000111.3S4 Q8S4-G6 PolarHBondContact O-N 3.39Å; G6-Q8 PolarHBondContact O-N 2.69Å
7L71.5Confident66.8Low60 Ų6075.2 Ų75.231%0.31445%0.452SS..PPolyproline II helixtrans-60.9130.7171.1-62.2177.8000109.1A5 F9 L166 N198 W201A5-L7 PolarHBondContact O-N 3.43Å; L7-F9 HydrophobicContact CB-CE2 4.5Å; L7-F9 VanDerWaalsContact O-CD2 3.28Å; L7-F9 WeakPolarHBondContact O-CD2 3.39Å; L7-F9 PolarHBondContact O-N 3.33Å; L7-L166 HydrophobicContact CD1-CD1 4.34Å; L7-L166 HydrophobicContact CD2-CD1 3.64Å; L7-N198 HydrophobicContact CD1-CB 4.33Å; L7-W201 HydrophobicContact CB-CD2 4.39Å; L7-W201 HydrophobicContact CB-CG 4.12Å; L7-W201 HydrophobicContact CD1-CB 4.09Å; L7-W201 HydrophobicContact CD1-CD2 4.02Å; L7-W201 HydrophobicContact CD1-CE3 4.4Å; L7-W201 HydrophobicContact CD1-CG 3.91Å
8Q79.3Confident67.8Low86 Ų8671.4 Ų71.440%0.40243%0.429SS..PPolyproline II helixtrans-77.8118.6179.6-174.6167.5-27.500109.8G6 L36 W201G6-Q8 PolarHBondContact O-N 2.69Å; Q8-L36 HydrophobicContact CG-CD1 4.28Å; Q8-L36 WeakPolarHBondContact O-CD1 3.37Å; Q8-W201 PolarHBondContact O-NE1 3.46Å
9F82.9Confident68.8Low74 Ų7471.5 Ų71.533%0.32542%0.424SS..PPolyproline II helixtrans-87.6155.9173.5-73.7-101.9000110.8L7 S11 W201 C204 Q244L7-F9 HydrophobicContact CB-CE2 4.5Å; L7-F9 VanDerWaalsContact O-CD2 3.28Å; L7-F9 WeakPolarHBondContact O-CD2 3.39Å; L7-F9 PolarHBondContact O-N 3.33Å; F9-S11 PolarHBondContact O-N 3.27Å; F9-W201 HydrophobicContact CE1-CB 4Å; F9-W201 HydrophobicContact CE1-CG 4.47Å; F9-W201 HydrophobicContact CZ-CB 3.91Å; F9-W201 HydrophobicContact CZ-CG 4.4Å; F9-C204 HydrophobicContact CD1-CB 4.25Å; F9-Q244 HydrophobicContact CE1-CG 4.43Å
10V83.9Confident69.5Low10 Ų1074.4 Ų74.46%0.06143%0.431CS..PPolyproline II helixtrans-69125.8177.7-179.50000109.6A14 F15 L36 L37 L205 A208 M248V10-A14 HydrophobicContact CG1-CB 3.94Å; V10-F15 HydrophobicContact CG1-CB 4.23Å; V10-L36 HydrophobicContact CG2-CB 4.07Å; V10-L36 HydrophobicContact CG2-CD1 3.89Å; V10-L37 HydrophobicContact CG1-CD2 4.4Å; V10-L205 HydrophobicContact CG2-CD2 3.85Å; V10-A208 HydrophobicContact CB-CB 4.31Å; V10-A208 HydrophobicContact CG1-CB 4.1Å; V10-A208 HydrophobicContact CG2-CB 3.82Å; V10-M248 HydrophobicContact CB-CG 4.31Å; V10-M248 HydrophobicContact CB-SD 3.93Å; V10-M248 HydrophobicContact CG1-CG 4.42Å; V10-M248 HydrophobicContact CG1-SD 4.28Å
11S86.7Confident70.1Confident38 Ų3873.7 Ų73.727%0.26643%0.428SS..PPolyproline II helixtrans-68.8150.8177.471.30000111.2F9 Y13 A14 F15 E33F9-S11 PolarHBondContact O-N 3.27Å; S11-Y13 PolarHBondContact O-N 3.41Å; S11-A14 PolarHBondContact O-N 3.25Å; S11-A14 VanDerWaalsContact O-N 3.07Å; S11-A14 VanDerWaalsContact OG-CB 3.31Å; S11-A14 WeakPolarHBondContact OG-CB 3.27Å; S11-A14 PolarHBondContact OG-N 3.37Å; S11-F15 PolarHBondContact O-N 3.32Å; S11-E33 VanDerWaalsContact CB-OE1 3.3Å; S11-E33 WeakPolarHBondContact CB-OE1 3.36Å; S11-E33 PolarHBondContact OG-OE1 3.5Å
12S85.4Confident72.8Confident59 Ų5964.1 Ų64.141%0.41338%0.382SS..Hα-helixtrans-63.5-26.8178.755.50000113.1E16 M248S12-E16 WeakPolarHBondContact O-CB 3.42Å; S12-E16 PolarHBondContact O-N 3.36Å; S12-M248 VanDerWaalsContact CA-O 3.28Å; S12-M248 WeakPolarHBondContact CA-O 3.44Å; S12-M248 WeakPolarHBondContact CB-O 3.47Å
13Y85.6Confident75.2Confident96 Ų9660 Ų6038%0.37635%0.347SS..Hα-helixtrans-67.3-45.7170.6-178.8-99.3000112S11 E16 A17 R25 L29S11-Y13 PolarHBondContact O-N 3.41Å; Y13-E16 PolarHBondContact O-N 3.34Å; Y13-A17 WeakPolarHBondContact O-CB 3.45Å; Y13-A17 PolarHBondContact O-N 3.45Å; Y13-R25 HydrophobicContact CE1-CB 4.29Å; Y13-R25 HydrophobicContact CE2-CG 4.25Å; Y13-R25 WeakPolarHBondContact OH-CG 3.43Å; Y13-L29 HydrophobicContact CD1-CD2 3.63Å; Y13-L29 HydrophobicContact CE1-CD2 3.84Å
14A84.6Confident77.6Confident1 Ų157.1 Ų57.11%0.00834%0.336CS..Hα-helixtrans-64-41.3175.500000112.1V10 S11 A17 M18 L29 L37V10-A14 HydrophobicContact CG1-CB 3.94Å; S11-A14 PolarHBondContact O-N 3.25Å; S11-A14 VanDerWaalsContact O-N 3.07Å; S11-A14 VanDerWaalsContact OG-CB 3.31Å; S11-A14 WeakPolarHBondContact OG-CB 3.27Å; S11-A14 PolarHBondContact OG-N 3.37Å; A14-A17 PolarHBondContact O-N 3Å; A14-M18 WeakPolarHBondContact O-CB 3.47Å; A14-M18 PolarHBondContact O-N 3.43Å; A14-L29 HydrophobicContact CB-CD1 3.88Å; A14-L29 HydrophobicContact CB-CD2 3.75Å; A14-L37 HydrophobicContact CB-CD1 4.36Å
15F87.8Confident79.9Confident1 Ų155.3 Ų55.30%0.00431%0.312CS..Hα-helixtrans-65.9-43.8175.5-173.1-86.2000112.4V10 S11 A17 M18 Q19 V207 A208 P211 F214 M248 N249V10-F15 HydrophobicContact CG1-CB 4.23Å; S11-F15 PolarHBondContact O-N 3.32Å; F15-A17 VanDerWaalsContact C-N 3.33Å; F15-A17 PolarHBondContact O-N 2.73Å; F15-M18 PolarHBondContact O-N 3.03Å; F15-Q19 HydrophobicContact CD1-CB 4.42Å; F15-Q19 HydrophobicContact CE1-CB 4.05Å; F15-Q19 HydrophobicContact CE1-CG 4.42Å; F15-Q19 VanDerWaalsContact O-CB 3.32Å; F15-Q19 WeakPolarHBondContact O-CB 3.28Å; F15-Q19 PolarHBondContact O-N 3.12Å; F15-V207 HydrophobicContact CE2-CG1 4.22Å; F15-A208 HydrophobicContact CD2-CB 4.1Å; F15-P211 HydrophobicContact CE2-CB 4.23Å; F15-P211 HydrophobicContact CZ-CB 3.92Å; F15-F214 HydrophobicContact CZ-CB 4.35Å; F15-F214 HydrophobicContact CZ-CD2 4.01Å; F15-F214 HydrophobicContact CZ-CG 4.45Å; F15-M248 HydrophobicContact CB-CG 3.69Å; F15-M248 HydrophobicContact CB-SD 4.49Å; F15-M248 HydrophobicContact CD2-CE 3.57Å; F15-M248 HydrophobicContact CD2-CG 3.74Å; F15-M248 HydrophobicContact CD2-SD 3.62Å; F15-M248 HydrophobicContact CE2-CE 3.61Å; F15-M248 HydrophobicContact CE2-SD 4.27Å; F15-M248 HydrophobicContact CG-CE 4.4Å; F15-M248 HydrophobicContact CG-CG 3.78Å; F15-M248 HydrophobicContact CG-SD 4.28Å; F15-M248 HydrophobicContact CZ-CE 4.48Å; F15-N249 HydrophobicContact CD1-CB 3.96Å; F15-N249 HydrophobicContact CE1-CB 3.94Å; F15-N249 VanDerWaalsContact CE1-ND2 3.31Å; F15-N249 WeakPolarHBondContact CE1-ND2 3.29Å
16E85.9Confident82Confident62 Ų6250.9 Ų50.929%0.2928%0.276SS..Hα-helixtrans-62.2-41.3176.3-164.6-159.8172.400111.5S12 Y13 K20 R25S12-E16 WeakPolarHBondContact O-CB 3.42Å; S12-E16 PolarHBondContact O-N 3.36Å; Y13-E16 PolarHBondContact O-N 3.34Å; E16-K20 HydrophobicContact CG-CD 4.08Å; E16-K20 WeakPolarHBondContact O-CB 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.21Å; E16-K20 PolarHBondContact O-N 2.63Å; E16-K20 WeakPolarHBondContact OE1-CE 3.45Å; E16-K20 IonicContact OE1-NZ 2.76Å; E16-K20 PolarHBondContact OE1-NZ 3.23Å; E16-R25 VanDerWaalsContact CD-NH1 3.3Å; E16-R25 IonicContact OE1-NH1 2.67Å; E16-R25 IonicContact OE1-NH2 3.03Å; E16-R25 IonicContact OE2-CZ 3.59Å; E16-R25 IonicContact OE2-NH1 2.81Å; E16-R25 PolarHBondContact OE2-NH1 3.24Å; E16-R25 IonicContact OE2-NH2 3.9Å
17A85.1Confident83Confident0 Ų050 Ų500%026%0.26CS..Hα-helixtrans-61.7-42.9176.300000111.8Y13 A14 F15 V21 D22 R25 L26Y13-A17 WeakPolarHBondContact O-CB 3.45Å; Y13-A17 PolarHBondContact O-N 3.45Å; A14-A17 PolarHBondContact O-N 3Å; F15-A17 VanDerWaalsContact C-N 3.33Å; F15-A17 PolarHBondContact O-N 2.73Å; A17-V21 WeakPolarHBondContact O-CA 3.14Å; A17-V21 PolarHBondContact O-N 3.06Å; A17-D22 PolarHBondContact O-N 2.98Å; A17-R25 HydrophobicContact CB-CB 3.58Å; A17-L26 HydrophobicContact CB-CD2 3.87Å; A17-L26 HydrophobicContact CB-CG 4.06Å
18M85.1Confident83.5Confident7 Ų750.3 Ų50.33%0.03427%0.272CS..Hα-helixtrans-69.9-44.9177.8-161.663.3171.500112.2A14 F15 K20 V21 L26 L37 C40 L41 M44 P211A14-M18 WeakPolarHBondContact O-CB 3.47Å; A14-M18 PolarHBondContact O-N 3.43Å; F15-M18 PolarHBondContact O-N 3.03Å; M18-K20 VanDerWaalsContact C-N 3.26Å; M18-K20 PolarHBondContact O-N 3.25Å; M18-V21 PolarHBondContact O-N 3.1Å; M18-V21 VanDerWaalsContact O-N 3.16Å; M18-L26 HydrophobicContact CB-CD2 4.47Å; M18-L26 HydrophobicContact SD-CD1 4.34Å; M18-L26 HydrophobicContact SD-CD2 4.15Å; M18-L37 HydrophobicContact CB-CD1 4.16Å; M18-L37 HydrophobicContact CE-CB 4.43Å; M18-L37 HydrophobicContact CG-CD1 4.32Å; M18-L37 HydrophobicContact CG-CD2 4.29Å; M18-L37 HydrophobicContact SD-CB 4.46Å; M18-L37 HydrophobicContact SD-CD1 4.21Å; M18-C40 HydrophobicContact CE-CB 3.52Å; M18-L41 HydrophobicContact CE-CD2 3.92Å; M18-L41 HydrophobicContact CE-CG 3.93Å; M18-L41 HydrophobicContact SD-CD2 3.89Å; M18-L41 HydrophobicContact SD-CG 4.3Å; M18-M44 HydrophobicContact CE-SD 4.19Å; M18-P211 HydrophobicContact CB-CG 4.4Å; M18-P211 HydrophobicContact CG-CG 4.02Å
19Q85.6Confident83.7Confident72 Ų7247.2 Ų47.234%0.33626%0.258SS..Hα-helixtrans-62.5-31.3178.9-175.2171.347.300112.9F15 P211 N249F15-Q19 HydrophobicContact CD1-CB 4.42Å; F15-Q19 HydrophobicContact CE1-CB 4.05Å; F15-Q19 HydrophobicContact CE1-CG 4.42Å; F15-Q19 VanDerWaalsContact O-CB 3.32Å; F15-Q19 WeakPolarHBondContact O-CB 3.28Å; F15-Q19 PolarHBondContact O-N 3.12Å; Q19-P211 HydrophobicContact CB-CB 3.85Å; Q19-P211 HydrophobicContact CB-CG 4.48Å; Q19-P211 HydrophobicContact CG-CB 4.01Å; Q19-N249 PolarHBondContact OE1-ND2 3.11Å
20K84.1Confident83.7Confident129 Ų12946.1 Ų46.156%0.56126%0.26SS*.THydrogen-bonded Turntrans-95.6-4.3177.9-65.5-178.9-180178.10113.9E16 M18 D22E16-K20 HydrophobicContact CG-CD 4.08Å; E16-K20 WeakPolarHBondContact O-CB 3.32Å; E16-K20 WeakPolarHBondContact O-CG 3.21Å; E16-K20 PolarHBondContact O-N 2.63Å; E16-K20 WeakPolarHBondContact OE1-CE 3.45Å; E16-K20 IonicContact OE1-NZ 2.76Å; E16-K20 PolarHBondContact OE1-NZ 3.23Å; M18-K20 VanDerWaalsContact C-N 3.26Å; M18-K20 PolarHBondContact O-N 3.25Å; K20-D22 HydrophobicContact CB-CB 4.49Å; K20-D22 PolarHBondContact O-N 3.15Å
21V80.9Confident83.4Confident60 Ų6052 Ų5236%0.36429%0.291SS..THydrogen-bonded Turntrans50.940.6-170.1-163.40000111.4A17 M18 V23 M44 W56A17-V21 WeakPolarHBondContact O-CA 3.14Å; A17-V21 PolarHBondContact O-N 3.06Å; M18-V21 PolarHBondContact O-N 3.1Å; M18-V21 VanDerWaalsContact O-N 3.16Å; V21-V23 HydrophobicContact CG1-CG2 4.31Å; V21-V23 PolarHBondContact O-N 3.07Å; V21-M44 HydrophobicContact CG1-CE 3.66Å; V21-M44 HydrophobicContact CG2-CE 4.13Å; V21-W56 HydrophobicContact CG1-CZ3 4.04Å
22D83.1Confident83.1Confident48 Ų4853.3 Ų53.326%0.25730%0.298SS..  trans-7987178.5-173.2-27.1000109.2A17 K20 V24 R25 L26A17-D22 PolarHBondContact O-N 2.98Å; K20-D22 HydrophobicContact CB-CB 4.49Å; K20-D22 PolarHBondContact O-N 3.15Å; D22-V24 PolarHBondContact O-N 2.97Å; D22-V24 PolarHBondContact OD1-N 3.41Å; D22-R25 HydrophobicContact CB-CB 4.2Å; D22-R25 HydrophobicContact CB-CG 4.18Å; D22-R25 VanDerWaalsContact CG-CG 3.43Å; D22-R25 PolarHBondContact O-N 2.83Å; D22-R25 VanDerWaalsContact O-N 3.08Å; D22-R25 PolarHBondContact OD1-N 3.49Å; D22-R25 WeakPolarHBondContact OD2-CD 3.39Å; D22-R25 VanDerWaalsContact OD2-CG 3.3Å; D22-R25 WeakPolarHBondContact OD2-CG 3.38Å; D22-R25 IonicContact OD2-CZ 3.27Å; D22-R25 IonicContact OD2-NE 3.35Å; D22-R25 PolarHBondContact OD2-NE 2.85Å; D22-L26 WeakPolarHBondContact O-CG 3.24Å; D22-L26 PolarHBondContact O-N 3.36Å
23V80.6Confident82.9Confident5 Ų552.2 Ų52.23%0.0329%0.287CS..Hα-helixtrans-65-20-175.2-177.10000112.9V21 L26 A27 D59 L62 I63V21-V23 HydrophobicContact CG1-CG2 4.31Å; V21-V23 PolarHBondContact O-N 3.07Å; V23-L26 HydrophobicContact CG2-CD1 4.44Å; V23-A27 VanDerWaalsContact O-CB 3.29Å; V23-A27 WeakPolarHBondContact O-CB 3.27Å; V23-A27 PolarHBondContact O-N 3.18Å; V23-D59 HydrophobicContact CB-CB 4.46Å; V23-D59 HydrophobicContact CG2-CB 3.9Å; V23-L62 HydrophobicContact CG1-CB 3.6Å; V23-L62 HydrophobicContact CG1-CD1 4.19Å; V23-I63 HydrophobicContact CG1-CG1 3.95Å; V23-I63 HydrophobicContact CG2-CD1 3.91Å; V23-I63 HydrophobicContact CG2-CG1 4.01Å
24V80.6Confident82.7Confident113 Ų11348.1 Ų48.169%0.68527%0.271SS*.Hα-helixtrans-73-41.5173.4-177.30000110.6D22 A28D22-V24 PolarHBondContact O-N 2.97Å; D22-V24 PolarHBondContact OD1-N 3.41Å; V24-A28 PolarHBondContact O-N 3.2Å
25R82.1Confident82.8Confident68 Ų6849.8 Ų49.826%0.25728%0.277SS..Hα-helixtrans-69.7-40.6172.3-66.2-179.5-167.7-146.78.6112.7Y13 E16 A17 D22 A27 A28 L29Y13-R25 HydrophobicContact CE1-CB 4.29Å; Y13-R25 HydrophobicContact CE2-CG 4.25Å; Y13-R25 WeakPolarHBondContact OH-CG 3.43Å; E16-R25 VanDerWaalsContact CD-NH1 3.3Å; E16-R25 IonicContact OE1-NH1 2.67Å; E16-R25 IonicContact OE1-NH2 3.03Å; E16-R25 IonicContact OE2-CZ 3.59Å; E16-R25 IonicContact OE2-NH1 2.81Å; E16-R25 PolarHBondContact OE2-NH1 3.24Å; E16-R25 IonicContact OE2-NH2 3.9Å; A17-R25 HydrophobicContact CB-CB 3.58Å; D22-R25 HydrophobicContact CB-CB 4.2Å; D22-R25 HydrophobicContact CB-CG 4.18Å; D22-R25 VanDerWaalsContact CG-CG 3.43Å; D22-R25 PolarHBondContact O-N 2.83Å; D22-R25 VanDerWaalsContact O-N 3.08Å; D22-R25 PolarHBondContact OD1-N 3.49Å; D22-R25 WeakPolarHBondContact OD2-CD 3.39Å; D22-R25 VanDerWaalsContact OD2-CG 3.3Å; D22-R25 WeakPolarHBondContact OD2-CG 3.38Å; D22-R25 IonicContact OD2-CZ 3.27Å; D22-R25 IonicContact OD2-NE 3.35Å; D22-R25 PolarHBondContact OD2-NE 2.85Å; R25-A27 PolarHBondContact O-N 2.7Å; R25-A28 WeakPolarHBondContact O-CA 3.45Å; R25-A28 WeakPolarHBondContact O-CB 3.47Å; R25-A28 PolarHBondContact O-N 2.97Å; R25-L29 PolarHBondContact O-N 3.22Å
26L82.4Confident82.7Confident4 Ų450.3 Ų50.32%0.02128%0.28CS..Hα-helixtrans-60.3-35.3176.3-67.9169.7000111.6A17 M18 D22 V23 A28 L29 L37 L41A17-L26 HydrophobicContact CB-CD2 3.87Å; A17-L26 HydrophobicContact CB-CG 4.06Å; M18-L26 HydrophobicContact CB-CD2 4.47Å; M18-L26 HydrophobicContact SD-CD1 4.34Å; M18-L26 HydrophobicContact SD-CD2 4.15Å; D22-L26 WeakPolarHBondContact O-CG 3.24Å; D22-L26 PolarHBondContact O-N 3.36Å; V23-L26 HydrophobicContact CG2-CD1 4.44Å; L26-A28 PolarHBondContact O-N 2.87Å; L26-L29 HydrophobicContact CD2-CD1 3.9Å; L26-L29 PolarHBondContact O-N 3.17Å; L26-L37 HydrophobicContact CD2-CD1 4.04Å; L26-L41 HydrophobicContact CD1-CD2 4.16Å
27A79.1Confident82.7Confident56 Ų5647.4 Ų47.446%0.46327%0.267SS..THydrogen-bonded Turntrans-74.1-5.5173.400000114.8V23 R25 L66V23-A27 VanDerWaalsContact O-CB 3.29Å; V23-A27 WeakPolarHBondContact O-CB 3.27Å; V23-A27 PolarHBondContact O-N 3.18Å; R25-A27 PolarHBondContact O-N 2.7Å; A27-L66 HydrophobicContact CB-CD1 4.11Å; A27-L66 HydrophobicContact CB-CD2 4.08Å
28A83Confident82.7Confident68 Ų6847.4 Ų47.456%0.56227%0.267SS*.THydrogen-bonded Turntrans-107.41.717600000113.2V24 R25 L26V24-A28 PolarHBondContact O-N 3.2Å; R25-A28 WeakPolarHBondContact O-CA 3.45Å; R25-A28 WeakPolarHBondContact O-CB 3.47Å; R25-A28 PolarHBondContact O-N 2.97Å; L26-A28 PolarHBondContact O-N 2.87Å
29L83.3Confident82.7Confident21 Ų2147.4 Ų47.411%0.1127%0.267CS..SBendtrans-71.6156173-65.1-178.1000111.7Y13 A14 R25 L26 E33 L37Y13-L29 HydrophobicContact CD1-CD2 3.63Å; Y13-L29 HydrophobicContact CE1-CD2 3.84Å; A14-L29 HydrophobicContact CB-CD1 3.88Å; A14-L29 HydrophobicContact CB-CD2 3.75Å; R25-L29 PolarHBondContact O-N 3.22Å; L26-L29 HydrophobicContact CD2-CD1 3.9Å; L26-L29 PolarHBondContact O-N 3.17Å; L29-E33 HydrophobicContact CB-CB 4.26Å; L29-L37 HydrophobicContact CD1-CD1 3.98Å
30S82.8Confident82.6Confident51 Ų5145.2 Ų45.236%0.35726%0.259SS..  trans-75.7150.6170.564.70000111.6P32 E33 L34S30-P32 VanDerWaalsContact C-CD 3.46Å; S30-P32 VanDerWaalsContact C-N 3.33Å; S30-E33 WeakPolarHBondContact CB-OE2 3.36Å; S30-E33 PolarHBondContact N-OE2 3.15Å; S30-E33 VanDerWaalsContact N-OE2 3.16Å; S30-E33 WeakPolarHBondContact O-CA 3.25Å; S30-E33 WeakPolarHBondContact O-CB 3.3Å; S30-E33 PolarHBondContact O-N 3.11Å; S30-E33 WeakPolarHBondContact OG-CG 3.44Å; S30-E33 PolarHBondContact OG-OE2 3.4Å; S30-L34 PolarHBondContact O-N 3.5Å
31D77.5Confident82.6Confident134 Ų13439.2 Ų39.272%0.71723%0.233SC*.Hα-helixtrans-46.4-45.3177-59.2-33.5000114.2E33 L34 R35D31-E33 PolarHBondContact O-N 2.69Å; D31-L34 PolarHBondContact O-N 3.3Å; D31-R35 WeakPolarHBondContact O-CB 3.43Å; D31-R35 PolarHBondContact O-N 3.36Å
32P80.2Confident82.7Confident64 Ų6436.4 Ų36.442%0.41622%0.216SC..Hα-helixtrans-73.6-20.7177.430.4-37.7000114.2S30 L36S30-P32 VanDerWaalsContact C-CD 3.46Å; S30-P32 VanDerWaalsContact C-N 3.33Å; P32-L36 WeakPolarHBondContact O-CG 3.31Å
33E81.8Confident82.7Confident37 Ų3738 Ų3817%0.17322%0.219CC..Hα-helixtrans-76.4-40168.5-71.7171.1112.700111.1S11 L29 S30 D31 R35 L36S11-E33 VanDerWaalsContact CB-OE1 3.3Å; S11-E33 WeakPolarHBondContact CB-OE1 3.36Å; S11-E33 PolarHBondContact OG-OE1 3.5Å; L29-E33 HydrophobicContact CB-CB 4.26Å; S30-E33 WeakPolarHBondContact CB-OE2 3.36Å; S30-E33 PolarHBondContact N-OE2 3.15Å; S30-E33 VanDerWaalsContact N-OE2 3.16Å; S30-E33 WeakPolarHBondContact O-CA 3.25Å; S30-E33 WeakPolarHBondContact O-CB 3.3Å; S30-E33 PolarHBondContact O-N 3.11Å; S30-E33 WeakPolarHBondContact OG-CG 3.44Å; S30-E33 PolarHBondContact OG-OE2 3.4Å; D31-E33 PolarHBondContact O-N 2.69Å; E33-R35 VanDerWaalsContact C-N 3.27Å; E33-R35 PolarHBondContact O-N 2.86Å; E33-L36 PolarHBondContact O-N 2.93Å
34L82.1Confident82.7Confident10 Ų1040 Ų405%0.05223%0.228CC..Hα-helixtrans-61.9-37175.9-171.968.3000111.4S30 D31 L36 L37 L38 L41 L66 V70S30-L34 PolarHBondContact O-N 3.5Å; D31-L34 PolarHBondContact O-N 3.3Å; L34-L36 PolarHBondContact O-N 3.44Å; L34-L37 PolarHBondContact O-N 2.89Å; L34-L37 VanDerWaalsContact O-N 3.16Å; L34-L38 PolarHBondContact O-N 3.14Å; L34-L41 HydrophobicContact CD1-CD1 3.57Å; L34-L66 HydrophobicContact CD2-CB 4.4Å; L34-V70 HydrophobicContact CD2-CG2 4.49Å
35R85.8Confident82.6Confident35 Ų3534.9 Ų34.913%0.13220%0.198CC..Hα-helixtrans-54.2-35.2174.2173.660-167.7114.4-17.2113.5D31 E33 L38 E167 D171D31-R35 WeakPolarHBondContact O-CB 3.43Å; D31-R35 PolarHBondContact O-N 3.36Å; E33-R35 VanDerWaalsContact C-N 3.27Å; E33-R35 PolarHBondContact O-N 2.86Å; R35-L38 WeakPolarHBondContact O-CB 3.39Å; R35-E167 IonicContact CZ-OE2 2.74Å; R35-E167 IonicContact NE-OE2 3.73Å; R35-E167 PolarHBondContact NE-OE2 3.33Å; R35-E167 VanDerWaalsContact NH2-CB 3.31Å; R35-E167 IonicContact NH2-OE2 2.64Å; R35-E167 PolarHBondContact NH2-OE2 3.09Å; R35-D171 IonicContact CZ-OD1 2.97Å; R35-D171 IonicContact CZ-OD2 2.69Å; R35-D171 IonicContact NH1-OD1 2.7Å; R35-D171 PolarHBondContact NH1-OD1 2.84Å; R35-D171 IonicContact NH1-OD2 2.75Å; R35-D171 PolarHBondContact NH1-OD2 3.11Å; R35-D171 VanDerWaalsContact NH1-OD2 3.14Å; R35-D171 IonicContact NH2-OD1 3.26Å; R35-D171 IonicContact NH2-OD2 3.81Å; R35-D171 PolarHBondContact NH2-OD2 3.29Å
36L84.6Confident82.3Confident13 Ų1336.2 Ų36.27%0.06821%0.21CC..Hα-helixtrans-77.4-21.9-177.8-58-175.3000113.4Q8 V10 P32 E33 L34 L205 N209Q8-L36 HydrophobicContact CG-CD1 4.28Å; Q8-L36 WeakPolarHBondContact O-CD1 3.37Å; V10-L36 HydrophobicContact CG2-CB 4.07Å; V10-L36 HydrophobicContact CG2-CD1 3.89Å; P32-L36 WeakPolarHBondContact O-CG 3.31Å; E33-L36 PolarHBondContact O-N 2.93Å; L34-L36 PolarHBondContact O-N 3.44Å; L36-L205 HydrophobicContact CB-CD2 3.74Å; L36-L205 HydrophobicContact CD1-CD2 4.06Å; L36-L205 HydrophobicContact CD2-CD2 3.85Å; L36-L205 HydrophobicContact CG-CD2 4.06Å; L36-N209 PolarHBondContact O-ND2 3.5Å
37L86.4Confident81.9Confident1 Ų138.5 Ų38.51%0.00523%0.225CC..THydrogen-bonded Turntrans-1022.4-179.6-57.1180000112.8V10 A14 M18 L26 L29 L34 C40 L41 A208 N209V10-L37 HydrophobicContact CG1-CD2 4.4Å; A14-L37 HydrophobicContact CB-CD1 4.36Å; M18-L37 HydrophobicContact CB-CD1 4.16Å; M18-L37 HydrophobicContact CE-CB 4.43Å; M18-L37 HydrophobicContact CG-CD1 4.32Å; M18-L37 HydrophobicContact CG-CD2 4.29Å; M18-L37 HydrophobicContact SD-CB 4.46Å; M18-L37 HydrophobicContact SD-CD1 4.21Å; L26-L37 HydrophobicContact CD2-CD1 4.04Å; L29-L37 HydrophobicContact CD1-CD1 3.98Å; L34-L37 PolarHBondContact O-N 2.89Å; L34-L37 VanDerWaalsContact O-N 3.16Å; L37-C40 PolarHBondContact O-N 3.33Å; L37-L41 HydrophobicContact CB-CD1 3.99Å; L37-L41 HydrophobicContact CB-CG 4.39Å; L37-L41 WeakPolarHBondContact O-CG 3.37Å; L37-L41 PolarHBondContact O-N 3.21Å; L37-L41 VanDerWaalsContact O-N 3.16Å; L37-A208 HydrophobicContact CD2-CB 3.8Å; L37-N209 PolarHBondContact O-OD1 3.48Å
38L85.3Confident81.2Confident0 Ų040.5 Ų40.50%024%0.242CC..Hα-helixtrans-60.3-43-169.3-15670.2000114.1L34 R35 C40 L41 V42 L67 V70 A72 V73 I76L34-L38 PolarHBondContact O-N 3.14Å; R35-L38 WeakPolarHBondContact O-CB 3.39Å; L38-C40 PolarHBondContact O-N 2.93Å; L38-L41 PolarHBondContact O-N 2.91Å; L38-V42 HydrophobicContact CG-CG2 4.25Å; L38-V42 WeakPolarHBondContact O-CB 3.5Å; L38-V42 VanDerWaalsContact O-CG2 3.23Å; L38-V42 WeakPolarHBondContact O-CG2 3.33Å; L38-V42 PolarHBondContact O-N 3.04Å; L38-L67 HydrophobicContact CD1-CD2 3.56Å; L38-V70 HydrophobicContact CD1-CB 4.45Å; L38-V70 HydrophobicContact CD1-CG1 4.06Å; L38-V70 HydrophobicContact CD2-CG1 3.68Å; L38-A72 HydrophobicContact CD2-CB 3.76Å; L38-V73 HydrophobicContact CD1-CG2 3.78Å; L38-V73 HydrophobicContact CD2-CG2 3.96Å; L38-V73 HydrophobicContact CG-CG2 4.01Å; L38-I76 HydrophobicContact CB-CD1 3.94Å; L38-I76 HydrophobicContact CD2-CD1 3.73Å; L38-I76 HydrophobicContact CG-CD1 3.8Å
39P85Confident80.4Confident7 Ų740 Ų405%0.04523%0.233CC..Hα-helixtrans-55.5-47.6179-28.236.5000113.7R43 I76 D171 C174 N209P39-R43 WeakPolarHBondContact O-CB 3.3Å; P39-R43 PolarHBondContact O-N 3.12Å; P39-I76 HydrophobicContact CG-CD1 4.16Å; P39-D171 HydrophobicContact CG-CB 4.11Å; P39-D171 WeakPolarHBondContact CG-OD1 3.43Å; P39-C174 HydrophobicContact CB-CB 3.83Å; P39-C174 HydrophobicContact CG-CB 4.14Å; P39-N209 WeakPolarHBondContact CD-OD1 3.34Å
40C84.6Confident79.3Confident25 Ų2544.2 Ų44.217%0.16927%0.271CS..Hα-helixtrans-73.3-41.5-179.3-173.10000112.1M18 L37 L38 V42 R43 M44 N209M18-C40 HydrophobicContact CE-CB 3.52Å; L37-C40 PolarHBondContact O-N 3.33Å; L38-C40 PolarHBondContact O-N 2.93Å; C40-V42 VanDerWaalsContact C-N 3.31Å; C40-V42 PolarHBondContact O-N 3.48Å; C40-R43 PolarHBondContact O-N 3.2Å; C40-M44 WeakPolarHBondContact O-CB 3.35Å; C40-M44 VanDerWaalsContact O-CG 3.25Å; C40-M44 WeakPolarHBondContact O-CG 3.45Å; C40-M44 PolarHBondContact O-N 2.95Å; C40-N209 HydrophobicContact CB-CB 3.92Å; C40-N209 WeakPolarHBondContact CB-O 3.36Å; C40-N209 VanDerWaalsContact CB-OD1 3.31Å; C40-N209 WeakPolarHBondContact CB-OD1 3.49Å; C40-N209 PolarHBondContact N-OD1 3.06Å; C40-N209 PolarHBondContact SG-O 3Å
41L83.6Confident78.5Confident3 Ų345.8 Ų45.82%0.01628%0.275CS..Hα-helixtrans-59-41.2176.2-68.8172.9000112.2M18 L26 L34 L37 L38 A45 I63 L67M18-L41 HydrophobicContact CE-CD2 3.92Å; M18-L41 HydrophobicContact CE-CG 3.93Å; M18-L41 HydrophobicContact SD-CD2 3.89Å; M18-L41 HydrophobicContact SD-CG 4.3Å; L26-L41 HydrophobicContact CD1-CD2 4.16Å; L34-L41 HydrophobicContact CD1-CD1 3.57Å; L37-L41 HydrophobicContact CB-CD1 3.99Å; L37-L41 HydrophobicContact CB-CG 4.39Å; L37-L41 WeakPolarHBondContact O-CG 3.37Å; L37-L41 PolarHBondContact O-N 3.21Å; L37-L41 VanDerWaalsContact O-N 3.16Å; L38-L41 PolarHBondContact O-N 2.91Å; L41-A45 VanDerWaalsContact O-CB 3.31Å; L41-A45 WeakPolarHBondContact O-CB 3.43Å; L41-A45 PolarHBondContact O-N 2.98Å; L41-I63 HydrophobicContact CB-CG2 4.44Å; L41-I63 HydrophobicContact CD2-CG2 4.4Å; L41-L67 HydrophobicContact CB-CD2 4.08Å
42V83.6Confident78.3Confident1 Ų148 Ų481%0.00628%0.282CS..Hα-helixtrans-66.6-44.3175.2175.90000111.3L38 C40 M44 A45 L46 L67 V73 I76 V77 L80L38-V42 HydrophobicContact CG-CG2 4.25Å; L38-V42 WeakPolarHBondContact O-CB 3.5Å; L38-V42 VanDerWaalsContact O-CG2 3.23Å; L38-V42 WeakPolarHBondContact O-CG2 3.33Å; L38-V42 PolarHBondContact O-N 3.04Å; C40-V42 VanDerWaalsContact C-N 3.31Å; C40-V42 PolarHBondContact O-N 3.48Å; V42-M44 PolarHBondContact O-N 3.4Å; V42-A45 PolarHBondContact O-N 3.1Å; V42-L46 HydrophobicContact CG1-CD1 3.58Å; V42-L46 HydrophobicContact CG1-CG 4.32Å; V42-L46 WeakPolarHBondContact O-CB 3.45Å; V42-L46 WeakPolarHBondContact O-CG 3.2Å; V42-L46 PolarHBondContact O-N 3.27Å; V42-L67 HydrophobicContact CG2-CD1 4.05Å; V42-L67 HydrophobicContact CG2-CD2 3.69Å; V42-L67 HydrophobicContact CG2-CG 4.46Å; V42-V73 HydrophobicContact CG1-CG1 4.43Å; V42-V73 HydrophobicContact CG2-CB 4.28Å; V42-V73 HydrophobicContact CG2-CG1 3.81Å; V42-V73 HydrophobicContact CG2-CG2 3.88Å; V42-I76 HydrophobicContact CB-CG2 3.8Å; V42-I76 HydrophobicContact CG1-CB 4.45Å; V42-I76 HydrophobicContact CG1-CG2 3.67Å; V42-I76 HydrophobicContact CG2-CG2 4.18Å; V42-V77 HydrophobicContact CG1-CG2 4.21Å; V42-L80 HydrophobicContact CG1-CD1 4Å
43R83.4Confident78.3Confident82 Ų8246.5 Ų46.531%0.30927%0.272SS..Hα-helixtrans-61-43.5175.5177.9169154.2129.7-18.8112.3P39 C40 A45 L46 C47 A178 E179P39-R43 WeakPolarHBondContact O-CB 3.3Å; P39-R43 PolarHBondContact O-N 3.12Å; C40-R43 PolarHBondContact O-N 3.2Å; R43-A45 VanDerWaalsContact C-N 3.3Å; R43-A45 PolarHBondContact O-N 2.71Å; R43-L46 PolarHBondContact O-N 3.26Å; R43-C47 HydrophobicContact CG-CB 4.35Å; R43-C47 VanDerWaalsContact O-CB 3.27Å; R43-C47 WeakPolarHBondContact O-CB 3.44Å; R43-C47 PolarHBondContact O-N 2.92Å; R43-A178 VanDerWaalsContact CZ-O 3.3Å; R43-A178 VanDerWaalsContact NH1-C 3.31Å; R43-A178 PolarHBondContact NH1-O 3.32Å; R43-A178 PolarHBondContact NH2-O 3.03Å; R43-E179 IonicContact CZ-OE1 3.7Å; R43-E179 IonicContact NH1-OE1 3.68Å; R43-E179 PolarHBondContact NH1-OE1 3.48Å; R43-E179 IonicContact NH1-OE2 2.8Å; R43-E179 PolarHBondContact NH1-OE2 2.82Å
44M79.5Confident77.8Confident46 Ų4652.7 Ų52.723%0.22730%0.301CS..Hα-helixtrans-62.9-35.4174.5-68.8169.374.500112.5M18 V21 C40 V42 W56 K60M18-M44 HydrophobicContact CE-SD 4.19Å; V21-M44 HydrophobicContact CG1-CE 3.66Å; V21-M44 HydrophobicContact CG2-CE 4.13Å; C40-M44 WeakPolarHBondContact O-CB 3.35Å; C40-M44 VanDerWaalsContact O-CG 3.25Å; C40-M44 WeakPolarHBondContact O-CG 3.45Å; C40-M44 PolarHBondContact O-N 2.95Å; V42-M44 PolarHBondContact O-N 3.4Å; M44-W56 HydrophobicContact CB-CH2 4.16Å; M44-W56 HydrophobicContact CB-CZ2 4.49Å; M44-W56 HydrophobicContact CE-CH2 3.83Å; M44-W56 HydrophobicContact CE-CZ3 4.17Å; M44-K60 PolarHBondContact O-NZ 3.42Å
45A78.1Confident77.4Confident6 Ų655.5 Ų55.55%0.0532%0.322CS..Hα-helixtrans-74.8-32.7177.900000113.5L41 V42 R43 K60 I63 L64 L67L41-A45 VanDerWaalsContact O-CB 3.31Å; L41-A45 WeakPolarHBondContact O-CB 3.43Å; L41-A45 PolarHBondContact O-N 2.98Å; V42-A45 PolarHBondContact O-N 3.1Å; R43-A45 VanDerWaalsContact C-N 3.3Å; R43-A45 PolarHBondContact O-N 2.71Å; A45-K60 VanDerWaalsContact C-NZ 3.29Å; A45-K60 WeakPolarHBondContact O-CE 3.38Å; A45-K60 PolarHBondContact O-NZ 3.26Å; A45-I63 HydrophobicContact CB-CG2 4.23Å; A45-L64 HydrophobicContact CB-CD2 3.89Å; A45-L64 HydrophobicContact CB-CG 4.26Å; A45-L67 HydrophobicContact CB-CD1 3.55Å
46L76.1Confident77.1Confident97 Ų9755.3 Ų55.351%0.50832%0.321SS..Hα-helixtrans-107.4-38.1-171.1-61.6177.6000114.7V42 R43 V77V42-L46 HydrophobicContact CG1-CD1 3.58Å; V42-L46 HydrophobicContact CG1-CG 4.32Å; V42-L46 WeakPolarHBondContact O-CB 3.45Å; V42-L46 WeakPolarHBondContact O-CG 3.2Å; V42-L46 PolarHBondContact O-N 3.27Å; R43-L46 PolarHBondContact O-N 3.26Å; L46-V77 HydrophobicContact CD1-CG2 3.63Å
47C73.5Confident76.7Confident51 Ų5157 Ų5735%0.34534%0.337SS..SBendtrans-74.2165179.7-63.10000111.9R43 P49R43-C47 HydrophobicContact CG-CB 4.35Å; R43-C47 VanDerWaalsContact O-CB 3.27Å; R43-C47 WeakPolarHBondContact O-CB 3.44Å; R43-C47 PolarHBondContact O-N 2.92Å; C47-P49 WeakPolarHBondContact O-CD 3.48Å
48A66.1Low76.3Confident99 Ų9962.8 Ų62.882%0.81836%0.364SS*.PPolyproline II helixtrans-62.9120.7178.300000110.1
49P65.7Low76Confident56 Ų5665.1 Ų65.136%0.36438%0.377SS..PPolyproline II helixtrans-77.7142.5-175.232.3-35.3000111.6C47 D51C47-P49 WeakPolarHBondContact O-CD 3.48Å; P49-D51 VanDerWaalsContact C-N 3.35Å; P49-D51 WeakPolarHBondContact CB-O 3.47Å
50A60.5Low75.8Confident111 Ų11166.8 Ų66.892%0.91738%0.383SS*.SBendtrans-71.2-30.3173.800000112.6
51D65.8Low75.6Confident83 Ų8371.7 Ų71.744%0.44440%0.401SS..  trans-96.1144.4171.9-174.622.7000111.7P49 S53 W56P49-D51 VanDerWaalsContact C-N 3.35Å; P49-D51 WeakPolarHBondContact CB-O 3.47Å; D51-S53 WeakPolarHBondContact OD1-CB 3.45Å; D51-S53 PolarHBondContact OD1-N 3.45Å; D51-S53 WeakPolarHBondContact OD2-CB 3.22Å; D51-S53 PolarHBondContact OD2-OG 3.23Å; D51-W56 HydrophobicContact CB-CB 4.49Å; D51-W56 HydrophobicContact CB-CG 4.43Å; D51-W56 VanDerWaalsContact O-CD1 3.26Å; D51-W56 WeakPolarHBondContact OD2-CB 3.37Å
52Q73.7Confident75.4Confident182 Ų18274.7 Ų74.785%0.8542%0.417SS*.  trans-121.413.6177.7-57.9-175.58.400112
53S78.6Confident75.2Confident32 Ų3274.8 Ų74.822%0.22442%0.417CS..  trans-63.4155.1-179.176.10000114.2D51 S55 W56 A57D51-S53 WeakPolarHBondContact OD1-CB 3.45Å; D51-S53 PolarHBondContact OD1-N 3.45Å; D51-S53 WeakPolarHBondContact OD2-CB 3.22Å; D51-S53 PolarHBondContact OD2-OG 3.23Å; S53-S55 VanDerWaalsContact C-N 3.27Å; S53-S55 WeakPolarHBondContact CB-OG 3.49Å; S53-S55 PolarHBondContact O-N 3.43Å; S53-S55 PolarHBondContact OG-OG 2.99Å; S53-W56 PolarHBondContact O-N 2.94Å; S53-W56 WeakPolarHBondContact OG-CB 3.28Å; S53-W56 PolarHBondContact OG-N 3.22Å; S53-A57 PolarHBondContact O-N 3.15Å
54Q72.8Confident75.1Confident167 Ų16774.6 Ų74.678%0.7842%0.422SS*.THydrogen-bonded Turntrans-70.8-22.1175.5-67.3-1711.700113.4Q58Q54-Q58 WeakPolarHBondContact O-CG 3.07Å; Q54-Q58 PolarHBondContact O-NE2 3.25Å; Q54-Q58 VanDerWaalsContact O-NE2 3.07Å
55S73.1Confident75.1Confident68 Ų6880.7 Ų80.748%0.47644%0.443SS..THydrogen-bonded Turntrans-64.4-57167.222.20000109.9S53 A57 Q58 D59S53-S55 VanDerWaalsContact C-N 3.27Å; S53-S55 WeakPolarHBondContact CB-OG 3.49Å; S53-S55 PolarHBondContact O-N 3.43Å; S53-S55 PolarHBondContact OG-OG 2.99Å; S55-A57 PolarHBondContact O-N 3.28Å; S55-A57 VanDerWaalsContact O-N 3.14Å; S55-Q58 WeakPolarHBondContact O-CA 3.48Å; S55-Q58 WeakPolarHBondContact O-CB 3.46Å; S55-Q58 PolarHBondContact O-N 3.33Å; S55-D59 PolarHBondContact O-N 3.38Å
56W78.8Confident75.1Confident31 Ų3182.7 Ų82.712%0.11745%0.452CS..Hα-helixtrans-58-34.5179.4178.5-119.5000113V21 M44 D51 S53 Q58 D59 K60 I63V21-W56 HydrophobicContact CG1-CZ3 4.04Å; M44-W56 HydrophobicContact CB-CH2 4.16Å; M44-W56 HydrophobicContact CB-CZ2 4.49Å; M44-W56 HydrophobicContact CE-CH2 3.83Å; M44-W56 HydrophobicContact CE-CZ3 4.17Å; D51-W56 HydrophobicContact CB-CB 4.49Å; D51-W56 HydrophobicContact CB-CG 4.43Å; D51-W56 VanDerWaalsContact O-CD1 3.26Å; D51-W56 WeakPolarHBondContact OD2-CB 3.37Å; S53-W56 PolarHBondContact O-N 2.94Å; S53-W56 WeakPolarHBondContact OG-CB 3.28Å; S53-W56 PolarHBondContact OG-N 3.22Å; W56-Q58 PolarHBondContact O-N 2.83Å; W56-D59 HydrophobicContact CE3-CB 4.02Å; W56-D59 HydrophobicContact CZ3-CB 4.39Å; W56-D59 PolarHBondContact O-N 2.99Å; W56-K60 HydrophobicContact CD2-CB 4.48Å; W56-K60 HydrophobicContact CZ2-CB 4.29Å; W56-K60 HydrophobicContact CZ2-CD 4.18Å; W56-K60 WeakPolarHBondContact O-CB 3.39Å; W56-K60 PolarHBondContact O-N 3.45Å; W56-I63 HydrophobicContact CH2-CD1 3.85Å; W56-I63 HydrophobicContact CZ3-CD1 3.86Å
57A76.8Confident75.3Confident49 Ų4978.7 Ų78.741%0.40543%0.431SS..Hα-helixtrans-67.9-11.4173.900000115.1S53 S55 K61S53-A57 PolarHBondContact O-N 3.15Å; S55-A57 PolarHBondContact O-N 3.28Å; S55-A57 VanDerWaalsContact O-N 3.14Å; A57-K61 WeakPolarHBondContact O-CD 3.46Å; A57-K61 WeakPolarHBondContact O-CE 3.33Å; A57-K61 WeakPolarHBondContact O-CG 3.38Å; A57-K61 PolarHBondContact O-NZ 2.6Å
58Q78.4Confident75.5Confident123 Ų12381.1 Ų81.158%0.57545%0.449SS*.Hα-helixtrans-97.5-47169.5-65.8172.264.400110.3Q54 S55 W56 K60 K61 L62Q54-Q58 WeakPolarHBondContact O-CG 3.07Å; Q54-Q58 PolarHBondContact O-NE2 3.25Å; Q54-Q58 VanDerWaalsContact O-NE2 3.07Å; S55-Q58 WeakPolarHBondContact O-CA 3.48Å; S55-Q58 WeakPolarHBondContact O-CB 3.46Å; S55-Q58 PolarHBondContact O-N 3.33Å; W56-Q58 PolarHBondContact O-N 2.83Å; Q58-K60 VanDerWaalsContact C-N 3.35Å; Q58-K60 PolarHBondContact O-N 3.21Å; Q58-K61 WeakPolarHBondContact O-CA 3.44Å; Q58-K61 WeakPolarHBondContact O-CB 3.3Å; Q58-K61 PolarHBondContact O-N 3.31Å; Q58-L62 PolarHBondContact O-N 2.92Å
59D79Confident75.6Confident49 Ų4979.8 Ų79.826%0.26245%0.445SS..Hα-helixtrans-57.3-45.3178.2-62.3-40.3000111.8V23 S55 W56 K61 L62 I63V23-D59 HydrophobicContact CB-CB 4.46Å; V23-D59 HydrophobicContact CG2-CB 3.9Å; S55-D59 PolarHBondContact O-N 3.38Å; W56-D59 HydrophobicContact CE3-CB 4.02Å; W56-D59 HydrophobicContact CZ3-CB 4.39Å; W56-D59 PolarHBondContact O-N 2.99Å; D59-K61 PolarHBondContact O-N 3.31Å; D59-L62 WeakPolarHBondContact O-CA 3.4Å; D59-L62 WeakPolarHBondContact O-CB 3.34Å; D59-L62 PolarHBondContact O-N 2.71Å; D59-I63 WeakPolarHBondContact O-CG1 3.37Å; D59-I63 PolarHBondContact O-N 2.83Å
60K79.6Confident76.2Confident41 Ų4178.9 Ų78.918%0.17844%0.438CS..Hα-helixtrans-59.2-29.3173.9-175.1162.3178.8130.10113.2M44 A45 W56 Q58 L64M44-K60 PolarHBondContact O-NZ 3.42Å; A45-K60 VanDerWaalsContact C-NZ 3.29Å; A45-K60 WeakPolarHBondContact O-CE 3.38Å; A45-K60 PolarHBondContact O-NZ 3.26Å; W56-K60 HydrophobicContact CD2-CB 4.48Å; W56-K60 HydrophobicContact CZ2-CB 4.29Å; W56-K60 HydrophobicContact CZ2-CD 4.18Å; W56-K60 WeakPolarHBondContact O-CB 3.39Å; W56-K60 PolarHBondContact O-N 3.45Å; Q58-K60 VanDerWaalsContact C-N 3.35Å; Q58-K60 PolarHBondContact O-N 3.21Å; K60-L64 HydrophobicContact CG-CD1 4.28Å; K60-L64 WeakPolarHBondContact O-CB 3.4Å; K60-L64 WeakPolarHBondContact O-CD1 3.36Å; K60-L64 VanDerWaalsContact O-CG 3.23Å; K60-L64 WeakPolarHBondContact O-CG 3.5Å; K60-L64 PolarHBondContact O-N 2.84Å
61K80.3Confident77Confident128 Ų12881.9 Ų81.956%0.55743%0.433SS*.Hα-helixtrans-77.1-27.9174.3-65.3170.4-176.6160.70112.5A57 Q58 D59 R65A57-K61 WeakPolarHBondContact O-CD 3.46Å; A57-K61 WeakPolarHBondContact O-CE 3.33Å; A57-K61 WeakPolarHBondContact O-CG 3.38Å; A57-K61 PolarHBondContact O-NZ 2.6Å; Q58-K61 WeakPolarHBondContact O-CA 3.44Å; Q58-K61 WeakPolarHBondContact O-CB 3.3Å; Q58-K61 PolarHBondContact O-N 3.31Å; D59-K61 PolarHBondContact O-N 3.31Å; K61-R65 WeakPolarHBondContact O-CD 3.38Å; K61-R65 VanDerWaalsContact O-CG 3.3Å; K61-R65 WeakPolarHBondContact O-CG 3.34Å; K61-R65 PolarHBondContact O-N 3.32Å
62L79.3Confident77.6Confident67 Ų6779.3 Ų79.335%0.35142%0.423SS..Hα-helixtrans-74.8-46172.8-64.4175.3000110.2V23 Q58 D59 L64 R65 L66V23-L62 HydrophobicContact CG1-CB 3.6Å; V23-L62 HydrophobicContact CG1-CD1 4.19Å; Q58-L62 PolarHBondContact O-N 2.92Å; D59-L62 WeakPolarHBondContact O-CA 3.4Å; D59-L62 WeakPolarHBondContact O-CB 3.34Å; D59-L62 PolarHBondContact O-N 2.71Å; L62-L64 PolarHBondContact O-N 3.23Å; L62-R65 WeakPolarHBondContact O-CB 3.17Å; L62-R65 PolarHBondContact O-N 3.06Å; L62-L66 PolarHBondContact O-N 2.85Å
63I81.3Confident78Confident2 Ų271.5 Ų71.51%0.0139%0.388CS..Hα-helixtrans-56.2-48.4173.1-63.4168.3000110.7V23 L41 A45 W56 D59 R65 L66 L67V23-I63 HydrophobicContact CG1-CG1 3.95Å; V23-I63 HydrophobicContact CG2-CD1 3.91Å; V23-I63 HydrophobicContact CG2-CG1 4.01Å; L41-I63 HydrophobicContact CB-CG2 4.44Å; L41-I63 HydrophobicContact CD2-CG2 4.4Å; A45-I63 HydrophobicContact CB-CG2 4.23Å; W56-I63 HydrophobicContact CH2-CD1 3.85Å; W56-I63 HydrophobicContact CZ3-CD1 3.86Å; D59-I63 WeakPolarHBondContact O-CG1 3.37Å; D59-I63 PolarHBondContact O-N 2.83Å; I63-R65 PolarHBondContact O-N 3Å; I63-L66 PolarHBondContact O-N 3.1Å; I63-L66 VanDerWaalsContact O-N 3.12Å; I63-L67 HydrophobicContact CG2-CD1 3.9Å; I63-L67 HydrophobicContact CG2-CG 4.25Å; I63-L67 WeakPolarHBondContact O-CG 3.08Å; I63-L67 PolarHBondContact O-N 3.33Å
64L80.1Confident78.2Confident78 Ų7875.6 Ų75.641%0.40841%0.407SS..Hα-helixtrans-60.2-27.4176.9-78.9167.4000113.9A45 K60 L62 S68A45-L64 HydrophobicContact CB-CD2 3.89Å; A45-L64 HydrophobicContact CB-CG 4.26Å; K60-L64 HydrophobicContact CG-CD1 4.28Å; K60-L64 WeakPolarHBondContact O-CB 3.4Å; K60-L64 WeakPolarHBondContact O-CD1 3.36Å; K60-L64 VanDerWaalsContact O-CG 3.23Å; K60-L64 WeakPolarHBondContact O-CG 3.5Å; K60-L64 PolarHBondContact O-N 2.84Å; L62-L64 PolarHBondContact O-N 3.23Å; L64-S68 WeakPolarHBondContact O-CB 3.46Å; L64-S68 PolarHBondContact O-N 3.37Å
65R80.3Confident78.6Confident175 Ų17569.7 Ų69.766%0.6639%0.385SS*.Hα-helixtrans-73.7-45.4172.8-73.7166177.9176.8-1.3111.5K61 L62 I63 L67 S68K61-R65 WeakPolarHBondContact O-CD 3.38Å; K61-R65 VanDerWaalsContact O-CG 3.3Å; K61-R65 WeakPolarHBondContact O-CG 3.34Å; K61-R65 PolarHBondContact O-N 3.32Å; L62-R65 WeakPolarHBondContact O-CB 3.17Å; L62-R65 PolarHBondContact O-N 3.06Å; I63-R65 PolarHBondContact O-N 3Å; R65-L67 VanDerWaalsContact C-N 3.31Å; R65-L67 PolarHBondContact O-N 3.24Å; R65-S68 PolarHBondContact O-N 2.78Å; R65-S68 VanDerWaalsContact O-N 3.14Å; R65-S68 PolarHBondContact O-OG 3.16Å
66L78.1Confident79.1Confident48 Ų4866.5 Ų66.525%0.25136%0.362SS..Hα-helixtrans-57.6-45.1176.4-63.2172.8000111.1A27 L34 L62 I63 S68A27-L66 HydrophobicContact CB-CD1 4.11Å; A27-L66 HydrophobicContact CB-CD2 4.08Å; L34-L66 HydrophobicContact CD2-CB 4.4Å; L62-L66 PolarHBondContact O-N 2.85Å; I63-L66 PolarHBondContact O-N 3.1Å; I63-L66 VanDerWaalsContact O-N 3.12Å; L66-S68 VanDerWaalsContact C-N 3.29Å; L66-S68 PolarHBondContact O-N 2.92Å
67L79.6Confident79.3Confident12 Ų1267.9 Ų67.96%0.06337%0.374CS..Hα-helixtrans-66.2-27.2178.1-64.8176.5000113.7L38 L41 V42 A45 I63 R65 G69 V70 V73L38-L67 HydrophobicContact CD1-CD2 3.56Å; L41-L67 HydrophobicContact CB-CD2 4.08Å; V42-L67 HydrophobicContact CG2-CD1 4.05Å; V42-L67 HydrophobicContact CG2-CD2 3.69Å; V42-L67 HydrophobicContact CG2-CG 4.46Å; A45-L67 HydrophobicContact CB-CD1 3.55Å; I63-L67 HydrophobicContact CG2-CD1 3.9Å; I63-L67 HydrophobicContact CG2-CG 4.25Å; I63-L67 WeakPolarHBondContact O-CG 3.08Å; I63-L67 PolarHBondContact O-N 3.33Å; R65-L67 VanDerWaalsContact C-N 3.31Å; R65-L67 PolarHBondContact O-N 3.24Å; L67-G69 PolarHBondContact O-N 2.89Å; L67-G69 VanDerWaalsContact O-N 3.15Å; L67-V70 PolarHBondContact O-N 3.03Å; L67-V73 HydrophobicContact CB-CG2 4.2Å; L67-V73 HydrophobicContact CD2-CG2 3.9Å
68S77.1Confident79.6Confident103 Ų10367 Ų6772%0.7237%0.367SS*.THydrogen-bonded Turntrans-68.7-12.2-173.369.90000115.4L64 R65 L66L64-S68 WeakPolarHBondContact O-CB 3.46Å; L64-S68 PolarHBondContact O-N 3.37Å; R65-S68 PolarHBondContact O-N 2.78Å; R65-S68 VanDerWaalsContact O-N 3.14Å; R65-S68 PolarHBondContact O-OG 3.16Å; L66-S68 VanDerWaalsContact C-N 3.29Å; L66-S68 PolarHBondContact O-N 2.92Å
69G69.3Low79.9Confident71 Ų7161.4 Ų61.473%0.73234%0.341SS*.THydrogen-bonded Turntrans-100.4-1.9177.100000115.5L67L67-G69 PolarHBondContact O-N 2.89Å; L67-G69 VanDerWaalsContact O-N 3.15Å
70V79Confident80.1Confident37 Ų3760.7 Ų60.722%0.22434%0.337CS..  trans-112.2110.2-167.7-179.20000111.1L34 L38 L67 A72 V73L34-V70 HydrophobicContact CD2-CG2 4.49Å; L38-V70 HydrophobicContact CD1-CB 4.45Å; L38-V70 HydrophobicContact CD1-CG1 4.06Å; L38-V70 HydrophobicContact CD2-CG1 3.68Å; L67-V70 PolarHBondContact O-N 3.03Å; V70-A72 VanDerWaalsContact C-N 3.29Å; V70-A72 HydrophobicContact CG1-CB 4.31Å; V70-A72 PolarHBondContact O-N 3.24Å; V70-V73 HydrophobicContact CB-CG2 3.97Å; V70-V73 HydrophobicContact CG1-CG2 4.25Å; V70-V73 VanDerWaalsContact O-CB 3.31Å; V70-V73 WeakPolarHBondContact O-CB 3.33Å; V70-V73 WeakPolarHBondContact O-CG2 3.3Å; V70-V73 PolarHBondContact O-N 3.26Å; V70-V73 VanDerWaalsContact O-N 3.09Å
71E75.5Confident80.2Confident174 Ų17463.4 Ų63.481%0.81336%0.361SS*.THydrogen-bonded Turntrans-58-37.6-173.8-62-170.6155.100113.7V73 N74E71-V73 PolarHBondContact O-N 2.93Å; E71-V73 VanDerWaalsContact O-N 3.12Å; E71-N74 PolarHBondContact O-N 3.43Å; E71-N74 VanDerWaalsContact O-N 3.08Å; E71-N74 PolarHBondContact O-ND2 2.96Å; E71-N74 VanDerWaalsContact O-ND2 3.09Å
72A79.7Confident80.4Confident28 Ų2858.5 Ų58.523%0.23134%0.342CS..THydrogen-bonded Turntrans-59.6-21.9179.200000113.9L38 V70 N74 S75 I76L38-A72 HydrophobicContact CD2-CB 3.76Å; V70-A72 VanDerWaalsContact C-N 3.29Å; V70-A72 HydrophobicContact CG1-CB 4.31Å; V70-A72 PolarHBondContact O-N 3.24Å; A72-N74 PolarHBondContact O-N 3.25Å; A72-S75 WeakPolarHBondContact O-CB 3.34Å; A72-S75 PolarHBondContact O-N 3.18Å; A72-S75 VanDerWaalsContact O-N 3.07Å; A72-I76 PolarHBondContact O-N 2.95Å
73V82.3Confident80.6Confident18 Ų1860.1 Ų60.111%0.10935%0.351CS..Hα-helixtrans-56.7-37.3174.1172.70000111.1L38 V42 L67 V70 E71 S75 I76 V77L38-V73 HydrophobicContact CD1-CG2 3.78Å; L38-V73 HydrophobicContact CD2-CG2 3.96Å; L38-V73 HydrophobicContact CG-CG2 4.01Å; V42-V73 HydrophobicContact CG1-CG1 4.43Å; V42-V73 HydrophobicContact CG2-CB 4.28Å; V42-V73 HydrophobicContact CG2-CG1 3.81Å; V42-V73 HydrophobicContact CG2-CG2 3.88Å; L67-V73 HydrophobicContact CB-CG2 4.2Å; L67-V73 HydrophobicContact CD2-CG2 3.9Å; V70-V73 HydrophobicContact CB-CG2 3.97Å; V70-V73 HydrophobicContact CG1-CG2 4.25Å; V70-V73 VanDerWaalsContact O-CB 3.31Å; V70-V73 WeakPolarHBondContact O-CB 3.33Å; V70-V73 WeakPolarHBondContact O-CG2 3.3Å; V70-V73 PolarHBondContact O-N 3.26Å; V70-V73 VanDerWaalsContact O-N 3.09Å; E71-V73 PolarHBondContact O-N 2.93Å; E71-V73 VanDerWaalsContact O-N 3.12Å; V73-S75 VanDerWaalsContact C-N 3.28Å; V73-S75 PolarHBondContact O-N 3.27Å; V73-I76 PolarHBondContact O-N 3.25Å; V73-V77 HydrophobicContact CG1-CG2 4.05Å; V73-V77 WeakPolarHBondContact O-CB 3.47Å; V73-V77 WeakPolarHBondContact O-CG2 3.35Å; V73-V77 PolarHBondContact O-N 3.32Å
74N82.1Confident80.8Confident118 Ų11861.3 Ų61.363%0.63136%0.356SS*.Hα-helixtrans-65.4-32.2179.9-60.3-64.1000112.4E71 A72 A78E71-N74 PolarHBondContact O-N 3.43Å; E71-N74 VanDerWaalsContact O-N 3.08Å; E71-N74 PolarHBondContact O-ND2 2.96Å; E71-N74 VanDerWaalsContact O-ND2 3.09Å; A72-N74 PolarHBondContact O-N 3.25Å; N74-A78 PolarHBondContact O-N 3.48Å; N74-A78 VanDerWaalsContact O-N 3.1Å
75S82.3Confident81.1Confident44 Ų4463.3 Ų63.331%0.30836%0.363SS..Hα-helixtrans-69.5-44.9174.5-167.10000111.1A72 V73 V77 A78 L79A72-S75 WeakPolarHBondContact O-CB 3.34Å; A72-S75 PolarHBondContact O-N 3.18Å; A72-S75 VanDerWaalsContact O-N 3.07Å; V73-S75 VanDerWaalsContact C-N 3.28Å; V73-S75 PolarHBondContact O-N 3.27Å; S75-V77 PolarHBondContact O-N 3.3Å; S75-A78 WeakPolarHBondContact O-CB 3.46Å; S75-A78 PolarHBondContact O-N 3.47Å; S75-A78 VanDerWaalsContact O-N 3.17Å; S75-L79 WeakPolarHBondContact O-CG 3.24Å; S75-L79 PolarHBondContact O-N 2.7Å
76I83.5Confident81.3Confident0 Ų056.8 Ų56.80%035%0.347CS..Hα-helixtrans-63.9-40.3176.4-65.6172.9000111.4L38 P39 V42 A72 V73 A78 L79 L80 D171 I175L38-I76 HydrophobicContact CB-CD1 3.94Å; L38-I76 HydrophobicContact CD2-CD1 3.73Å; L38-I76 HydrophobicContact CG-CD1 3.8Å; P39-I76 HydrophobicContact CG-CD1 4.16Å; V42-I76 HydrophobicContact CB-CG2 3.8Å; V42-I76 HydrophobicContact CG1-CB 4.45Å; V42-I76 HydrophobicContact CG1-CG2 3.67Å; V42-I76 HydrophobicContact CG2-CG2 4.18Å; A72-I76 PolarHBondContact O-N 2.95Å; V73-I76 PolarHBondContact O-N 3.25Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 3.41Å; I76-L79 PolarHBondContact O-N 2.98Å; I76-L80 HydrophobicContact CG2-CD1 4.16Å; I76-L80 WeakPolarHBondContact O-CG 3.3Å; I76-L80 PolarHBondContact O-N 3.49Å; I76-D171 HydrophobicContact CD1-CB 4.39Å; I76-D171 HydrophobicContact CG1-CB 4.17Å; I76-I175 HydrophobicContact CG2-CD1 4Å
77V82.4Confident81.7Confident60 Ų6054.6 Ų54.636%0.36434%0.335SS..Hα-helixtrans-59.2-43.4172.41700000111.2V42 L46 V73 S75 L80 S81V42-V77 HydrophobicContact CG1-CG2 4.21Å; L46-V77 HydrophobicContact CD1-CG2 3.63Å; V73-V77 HydrophobicContact CG1-CG2 4.05Å; V73-V77 WeakPolarHBondContact O-CB 3.47Å; V73-V77 WeakPolarHBondContact O-CG2 3.35Å; V73-V77 PolarHBondContact O-N 3.32Å; S75-V77 PolarHBondContact O-N 3.3Å; V77-L80 PolarHBondContact O-N 3.12Å; V77-S81 PolarHBondContact O-N 3.17Å
78A82.9Confident81.9Confident32 Ų3255 Ų5526%0.26434%0.337SS..Hα-helixtrans-65.3-40.1177.900000111.9N74 S75 I76 S81 P127N74-A78 PolarHBondContact O-N 3.48Å; N74-A78 VanDerWaalsContact O-N 3.1Å; S75-A78 WeakPolarHBondContact O-CB 3.46Å; S75-A78 PolarHBondContact O-N 3.47Å; S75-A78 VanDerWaalsContact O-N 3.17Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 3.41Å; A78-S81 PolarHBondContact O-N 3.24Å; A78-S81 PolarHBondContact O-OG 3.3Å; A78-P127 HydrophobicContact CB-CG 3.95Å
79L84.8Confident82.3Confident5 Ų554.4 Ų54.43%0.02632%0.322CS..Hα-helixtrans-63.2-40.3174.3-71.4164.6000112.4S75 I76 S81 V82 F84 P127 L131 V172 I175S75-L79 WeakPolarHBondContact O-CG 3.24Å; S75-L79 PolarHBondContact O-N 2.7Å; I76-L79 PolarHBondContact O-N 2.98Å; L79-S81 PolarHBondContact O-N 3.18Å; L79-V82 WeakPolarHBondContact O-CG2 3.35Å; L79-F84 VanDerWaalsContact O-CZ 3.3Å; L79-F84 WeakPolarHBondContact O-CZ 3.45Å; L79-P127 HydrophobicContact CD2-CB 3.96Å; L79-P127 HydrophobicContact CG-CB 4.45Å; L79-L131 HydrophobicContact CD2-CD1 4.17Å; L79-L131 HydrophobicContact CD2-CD2 4.16Å; L79-L131 HydrophobicContact CD2-CG 3.81Å; L79-V172 HydrophobicContact CD1-CG2 3.69Å; L79-V172 HydrophobicContact CD2-CG2 3.91Å; L79-I175 HydrophobicContact CB-CD1 3.64Å; L79-I175 HydrophobicContact CD1-CD1 3.8Å; L79-I175 HydrophobicContact CG-CD1 4.36Å
80L82.3Confident83.1Confident34 Ų3452.4 Ų52.418%0.17830%0.295CS..Hα-helixtrans-70.9-12.8175.8-71.1170.4000114.1V42 I76 V77 V82 I175 E179V42-L80 HydrophobicContact CG1-CD1 4Å; I76-L80 HydrophobicContact CG2-CD1 4.16Å; I76-L80 WeakPolarHBondContact O-CG 3.3Å; I76-L80 PolarHBondContact O-N 3.49Å; V77-L80 PolarHBondContact O-N 3.12Å; L80-V82 VanDerWaalsContact C-N 3.29Å; L80-V82 PolarHBondContact O-N 3.35Å; L80-I175 HydrophobicContact CD2-CG1 4.5Å; L80-I175 HydrophobicContact CD2-CG2 3.91Å; L80-E179 HydrophobicContact CD2-CG 4.46Å; L80-E179 WeakPolarHBondContact CD2-OE1 3.35Å
81S82.6Confident83.3Confident97 Ų9750.6 Ų50.668%0.67828%0.284SS*.THydrogen-bonded Turntrans-84.73.7-179.374.90000114.9V77 A78 L79V77-S81 PolarHBondContact O-N 3.17Å; A78-S81 PolarHBondContact O-N 3.24Å; A78-S81 PolarHBondContact O-OG 3.3Å; L79-S81 PolarHBondContact O-N 3.18Å
82V84.8Confident83.7Confident26 Ų2646.7 Ų46.716%0.15826%0.262CS..SBendtrans-88.7150.2-172.7177.10000112.2L79 L80 F84 P127 L128 L131L79-V82 WeakPolarHBondContact O-CG2 3.35Å; L80-V82 VanDerWaalsContact C-N 3.29Å; L80-V82 PolarHBondContact O-N 3.35Å; V82-F84 HydrophobicContact CB-CE2 4.45Å; V82-F84 WeakPolarHBondContact O-CD2 3.24Å; V82-F84 WeakPolarHBondContact O-CE2 3.42Å; V82-F84 PolarHBondContact O-N 3Å; V82-P127 HydrophobicContact CG2-CB 4.35Å; V82-L128 HydrophobicContact CG1-CB 4.13Å; V82-L128 HydrophobicContact CG1-CD1 3.68Å; V82-L128 HydrophobicContact CG1-CG 4.41Å; V82-L128 HydrophobicContact CG2-CB 4.42Å; V82-L131 HydrophobicContact CB-CD1 3.98Å; V82-L131 HydrophobicContact CG1-CD1 3.96Å; V82-L131 HydrophobicContact CG2-CD1 3.86Å
83D84Confident83.9Confident101 Ų10149.5 Ų49.554%0.5427%0.269SS..  trans-72.690.3170.5-176.6-6.9000111.2H85 A86 L87D83-H85 PolarHBondContact O-N 2.87Å; D83-H85 WeakPolarHBondContact OD1-CA 3.27Å; D83-H85 WeakPolarHBondContact OD1-CB 3.33Å; D83-H85 PolarHBondContact OD1-N 3.34Å; D83-A86 HydrophobicContact CB-CB 4.21Å; D83-A86 PolarHBondContact O-N 2.86Å; D83-A86 PolarHBondContact OD1-N 3.17Å; D83-A86 WeakPolarHBondContact OD2-CB 3.26Å; D83-L87 PolarHBondContact O-N 2.9Å
84F85.1Confident83.8Confident27 Ų2748.7 Ų48.712%0.11826%0.264CS..Hα-helixtrans-64-24.4175-68.7-79.3000113.4L79 V82 L87 E88 L131 I175 E179 L180L79-F84 VanDerWaalsContact O-CZ 3.3Å; L79-F84 WeakPolarHBondContact O-CZ 3.45Å; V82-F84 HydrophobicContact CB-CE2 4.45Å; V82-F84 WeakPolarHBondContact O-CD2 3.24Å; V82-F84 WeakPolarHBondContact O-CE2 3.42Å; V82-F84 PolarHBondContact O-N 3Å; F84-L87 HydrophobicContact CD1-CD2 4.36Å; F84-L87 PolarHBondContact O-N 3.42Å; F84-E88 WeakPolarHBondContact O-CB 3.32Å; F84-E88 PolarHBondContact O-N 3.36Å; F84-L131 HydrophobicContact CE1-CD1 4.26Å; F84-L131 HydrophobicContact CE1-CD2 4.4Å; F84-L131 HydrophobicContact CZ-CD1 4.47Å; F84-I175 HydrophobicContact CE1-CG2 4.05Å; F84-I175 HydrophobicContact CZ-CG2 3.74Å; F84-E179 HydrophobicContact CB-CB 4.42Å; F84-E179 HydrophobicContact CD1-CB 3.6Å; F84-E179 HydrophobicContact CD1-CG 4.08Å; F84-E179 HydrophobicContact CD2-CB 4.18Å; F84-E179 HydrophobicContact CD2-CG 4.07Å; F84-E179 HydrophobicContact CE1-CB 3.84Å; F84-E179 HydrophobicContact CE1-CG 3.88Å; F84-E179 HydrophobicContact CE2-CB 4.4Å; F84-E179 HydrophobicContact CE2-CG 3.88Å; F84-E179 HydrophobicContact CG-CB 3.79Å; F84-E179 HydrophobicContact CG-CG 4.18Å; F84-E179 HydrophobicContact CZ-CB 4.24Å; F84-E179 HydrophobicContact CZ-CG 3.78Å; F84-L180 HydrophobicContact CB-CD2 4.07Å; F84-L180 HydrophobicContact CD1-CD2 4.38Å; F84-L180 HydrophobicContact CD1-CG 4.41Å
85H85.2Confident83.7Confident119 Ų11945.9 Ų45.955%0.55125%0.247SC*.Hα-helixtrans-73.8-42.4179.2-174.363000111.5D83 L87 E88 Q89D83-H85 PolarHBondContact O-N 2.87Å; D83-H85 WeakPolarHBondContact OD1-CA 3.27Å; D83-H85 WeakPolarHBondContact OD1-CB 3.33Å; D83-H85 PolarHBondContact OD1-N 3.34Å; H85-L87 VanDerWaalsContact C-N 3.33Å; H85-E88 PolarHBondContact O-N 3.48Å; H85-Q89 PolarHBondContact CD2-NE2 2.94Å; H85-Q89 PolarHBondContact NE2-NE2 3.27Å; H85-Q89 WeakPolarHBondContact O-CG 3.42Å; H85-Q89 PolarHBondContact O-N 2.62Å; H85-Q89 VanDerWaalsContact O-N 3.12Å
86A84.3Confident83.5Confident39 Ų3949 Ų4932%0.32226%0.257SS..Hα-helixtrans-61-43.2170.500000111.6D83 Q89 D90D83-A86 HydrophobicContact CB-CB 4.21Å; D83-A86 PolarHBondContact O-N 2.86Å; D83-A86 PolarHBondContact OD1-N 3.17Å; D83-A86 WeakPolarHBondContact OD2-CB 3.26Å; A86-Q89 PolarHBondContact O-N 3.49Å; A86-D90 PolarHBondContact O-N 3.2Å
87L86.5Confident83.2Confident1 Ų152.5 Ų52.51%0.00528%0.275CS..Hα-helixtrans-62.5-42.5177.4-175.860.6000112.4D83 F84 H85 Q89 D90 A91 L110 L128 L131 R132 L135 L176 L180D83-L87 PolarHBondContact O-N 2.9Å; F84-L87 HydrophobicContact CD1-CD2 4.36Å; F84-L87 PolarHBondContact O-N 3.42Å; H85-L87 VanDerWaalsContact C-N 3.33Å; L87-Q89 VanDerWaalsContact C-N 3.34Å; L87-Q89 PolarHBondContact O-N 2.95Å; L87-D90 PolarHBondContact O-N 3.25Å; L87-A91 WeakPolarHBondContact O-CB 3.3Å; L87-A91 PolarHBondContact O-N 2.98Å; L87-L110 HydrophobicContact CD1-CD2 4.22Å; L87-L128 HydrophobicContact CD1-CD1 4.34Å; L87-L131 HydrophobicContact CD2-CB 4.03Å; L87-L131 HydrophobicContact CD2-CD1 4.39Å; L87-R132 HydrophobicContact CD1-CG 3.59Å; L87-L135 HydrophobicContact CD1-CD2 4.1Å; L87-L135 HydrophobicContact CG-CD2 4.15Å; L87-L176 HydrophobicContact CD2-CD2 4.1Å; L87-L180 HydrophobicContact CD2-CD1 4.24Å; L87-L180 HydrophobicContact CG-CD1 4.33Å
88E85.6Confident82.8Confident20 Ų2052 Ų529%0.09327%0.267CS..Hα-helixtrans-62-41.2176.2-159.9-167.6-154.800111.6F84 H85 R92 L180 S182F84-E88 WeakPolarHBondContact O-CB 3.32Å; F84-E88 PolarHBondContact O-N 3.36Å; H85-E88 PolarHBondContact O-N 3.48Å; E88-R92 WeakPolarHBondContact O-CB 3.48Å; E88-R92 WeakPolarHBondContact O-CG 3.49Å; E88-R92 PolarHBondContact O-N 3.45Å; E88-R92 IonicContact OE1-CZ 2.65Å; E88-R92 VanDerWaalsContact OE1-CZ 3.27Å; E88-R92 IonicContact OE1-NH1 2.77Å; E88-R92 PolarHBondContact OE1-NH1 3.26Å; E88-R92 IonicContact OE1-NH2 2.65Å; E88-R92 PolarHBondContact OE1-NH2 3.28Å; E88-R92 IonicContact OE2-CZ 3.73Å; E88-R92 IonicContact OE2-NH1 3.69Å; E88-R92 PolarHBondContact OE2-NH1 3.06Å; E88-R92 IonicContact OE2-NH2 3.68Å; E88-L180 HydrophobicContact CB-CD2 3.81Å; E88-L180 HydrophobicContact CG-CD2 4.07Å; E88-S182 WeakPolarHBondContact OE1-CB 3.27Å; E88-S182 PolarHBondContact OE1-OG 2.99Å
89Q84.9Confident82.2Confident91 Ų9155.5 Ų55.543%0.42528%0.277SS..Hα-helixtrans-63.6-45.3176.3-71.4-172.83100111.9H85 A86 L87 K93H85-Q89 PolarHBondContact CD2-NE2 2.94Å; H85-Q89 PolarHBondContact NE2-NE2 3.27Å; H85-Q89 WeakPolarHBondContact O-CG 3.42Å; H85-Q89 PolarHBondContact O-N 2.62Å; H85-Q89 VanDerWaalsContact O-N 3.12Å; A86-Q89 PolarHBondContact O-N 3.49Å; L87-Q89 VanDerWaalsContact C-N 3.34Å; L87-Q89 PolarHBondContact O-N 2.95Å; Q89-K93 WeakPolarHBondContact O-CD 3.35Å; Q89-K93 VanDerWaalsContact O-CE 3.24Å; Q89-K93 WeakPolarHBondContact O-CE 3.47Å; Q89-K93 VanDerWaalsContact O-CG 3.24Å; Q89-K93 WeakPolarHBondContact O-CG 3.28Å; Q89-K93 PolarHBondContact O-N 2.95Å; Q89-K93 VanDerWaalsContact O-N 3.16Å
90D84.9Confident81.5Confident29 Ų2962.9 Ų62.916%0.15531%0.309CS..Hα-helixtrans-64.1-43.5178.3-74.1-13.3000112A86 L87 K93 E94 I109 L110 R132A86-D90 PolarHBondContact O-N 3.2Å; L87-D90 PolarHBondContact O-N 3.25Å; D90-K93 WeakPolarHBondContact O-CB 3.48Å; D90-K93 PolarHBondContact O-N 2.78Å; D90-K93 IonicContact OD1-NZ 2.69Å; D90-K93 PolarHBondContact OD1-NZ 3.31Å; D90-E94 PolarHBondContact O-N 3.3Å; D90-I109 HydrophobicContact CB-CG2 4.24Å; D90-L110 HydrophobicContact CB-CD2 3.91Å; D90-R132 IonicContact OD2-CZ 2.7Å; D90-R132 IonicContact OD2-NH2 2.88Å; D90-R132 PolarHBondContact OD2-NH2 2.85Å
91A84Confident80.3Confident0 Ų064 Ų640%032%0.323CS..Hα-helixtrans-69.5-35.2-179.700000112.8L87 E94 Q95 L110 L135 L139 L183L87-A91 WeakPolarHBondContact O-CB 3.3Å; L87-A91 PolarHBondContact O-N 2.98Å; A91-E94 PolarHBondContact O-N 2.77Å; A91-Q95 PolarHBondContact O-N 2.91Å; A91-L110 HydrophobicContact CB-CD1 4.14Å; A91-L110 HydrophobicContact CB-CD2 4.17Å; A91-L135 HydrophobicContact CB-CD2 3.62Å; A91-L135 HydrophobicContact CB-CG 4.34Å; A91-L139 HydrophobicContact CB-CD1 4.23Å; A91-L183 HydrophobicContact CB-CD1 4.5Å; A91-L183 HydrophobicContact CB-CD2 3.47Å; A91-L183 VanDerWaalsContact CB-CD2 3.47Å
92R84.2Confident78.9Confident92 Ų9262.9 Ų62.935%0.34733%0.328SS..Hα-helixtrans-61.9-40.4169.5-80.9-169.3179.6110.99.8112.5E88 E94 Q96 L183E88-R92 WeakPolarHBondContact O-CB 3.48Å; E88-R92 WeakPolarHBondContact O-CG 3.49Å; E88-R92 PolarHBondContact O-N 3.45Å; E88-R92 IonicContact OE1-CZ 2.65Å; E88-R92 VanDerWaalsContact OE1-CZ 3.27Å; E88-R92 IonicContact OE1-NH1 2.77Å; E88-R92 PolarHBondContact OE1-NH1 3.26Å; E88-R92 IonicContact OE1-NH2 2.65Å; E88-R92 PolarHBondContact OE1-NH2 3.28Å; E88-R92 IonicContact OE2-CZ 3.73Å; E88-R92 IonicContact OE2-NH1 3.69Å; E88-R92 PolarHBondContact OE2-NH1 3.06Å; E88-R92 IonicContact OE2-NH2 3.68Å; R92-E94 VanDerWaalsContact C-N 3.32Å; R92-Q96 WeakPolarHBondContact O-CB 3.46Å; R92-Q96 VanDerWaalsContact O-CG 3.31Å; R92-Q96 WeakPolarHBondContact O-CG 3.33Å; R92-Q96 PolarHBondContact O-N 3.03Å; R92-L183 HydrophobicContact CG-CD1 4.14Å
93K83.1Confident77.4Confident86 Ų8665.1 Ų65.137%0.37436%0.356SS..Hα-helixtrans-62.2-43.4174.8-62.6158.4-151.51600110.1Q89 D90 Q96 L97 I109Q89-K93 WeakPolarHBondContact O-CD 3.35Å; Q89-K93 VanDerWaalsContact O-CE 3.24Å; Q89-K93 WeakPolarHBondContact O-CE 3.47Å; Q89-K93 VanDerWaalsContact O-CG 3.24Å; Q89-K93 WeakPolarHBondContact O-CG 3.28Å; Q89-K93 PolarHBondContact O-N 2.95Å; Q89-K93 VanDerWaalsContact O-N 3.16Å; D90-K93 WeakPolarHBondContact O-CB 3.48Å; D90-K93 PolarHBondContact O-N 2.78Å; D90-K93 IonicContact OD1-NZ 2.69Å; D90-K93 PolarHBondContact OD1-NZ 3.31Å; K93-Q96 PolarHBondContact O-N 2.78Å; K93-L97 PolarHBondContact O-N 2.84Å; K93-I109 HydrophobicContact CB-CD1 3.53Å
94E80.9Confident75.7Confident1 Ų164.1 Ų64.11%0.00536%0.357CS..Hα-helixtrans-64.4-45.7178.3-177.5161.5125.600112.8D90 A91 R92 Q96 L97 R98 S108 I109 L110 S136D90-E94 PolarHBondContact O-N 3.3Å; A91-E94 PolarHBondContact O-N 2.77Å; R92-E94 VanDerWaalsContact C-N 3.32Å; E94-Q96 VanDerWaalsContact C-N 3.26Å; E94-Q96 PolarHBondContact O-N 3.32Å; E94-L97 WeakPolarHBondContact O-CB 3.18Å; E94-L97 PolarHBondContact O-N 3.36Å; E94-R98 HydrophobicContact CG-CG 4.29Å; E94-R98 WeakPolarHBondContact O-CG 3.33Å; E94-R98 PolarHBondContact O-N 2.85Å; E94-R98 IonicContact OE1-CZ 3.24Å; E94-R98 VanDerWaalsContact OE1-CZ 3.26Å; E94-R98 IonicContact OE1-NE 3.08Å; E94-R98 PolarHBondContact OE1-NE 3.02Å; E94-R98 IonicContact OE1-NH2 3.96Å; E94-R98 PolarHBondContact OE1-NH2 2.83Å; E94-S108 PolarHBondContact OE1-OG 3.33Å; E94-S108 WeakPolarHBondContact OE2-CA 3.45Å; E94-S108 WeakPolarHBondContact OE2-CB 3.39Å; E94-S108 PolarHBondContact OE2-OG 3.02Å; E94-I109 HydrophobicContact CB-CB 4.34Å; E94-I109 PolarHBondContact OE2-N 2.99Å; E94-L110 HydrophobicContact CB-CG 4.38Å; E94-L110 WeakPolarHBondContact OE2-CB 3.46Å; E94-L110 WeakPolarHBondContact OE2-CG 3.49Å; E94-L110 PolarHBondContact OE2-N 3.04Å; E94-S136 PolarHBondContact OE1-OG 3.47Å
95Q78.9Confident74.2Confident60 Ų6069.8 Ų69.828%0.2839%0.388SS..Hα-helixtrans-57.4-41.6174.5-172.9-179.612.800111.2A91 L97 R98 H99A91-Q95 PolarHBondContact O-N 2.91Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 3.09Å; Q95-R98 PolarHBondContact O-N 3.19Å; Q95-H99 PolarHBondContact O-CD2 3.48Å; Q95-H99 PolarHBondContact O-N 3.44Å
96Q79.6Confident72.8Confident110 Ų11066.9 Ų66.951%0.51439%0.391SS..Hα-helixtrans-68.2-23.5174.8-71.618024.100114.6R92 K93 E94 K100R92-Q96 WeakPolarHBondContact O-CB 3.46Å; R92-Q96 VanDerWaalsContact O-CG 3.31Å; R92-Q96 WeakPolarHBondContact O-CG 3.33Å; R92-Q96 PolarHBondContact O-N 3.03Å; K93-Q96 PolarHBondContact O-N 2.78Å; E94-Q96 VanDerWaalsContact C-N 3.26Å; E94-Q96 PolarHBondContact O-N 3.32Å; Q96-K100 WeakPolarHBondContact O-CD 3.38Å; Q96-K100 WeakPolarHBondContact O-CE 3.19Å; Q96-K100 VanDerWaalsContact O-CG 3.24Å; Q96-K100 WeakPolarHBondContact O-CG 3.3Å
97L77.2Confident71.5Confident72 Ų7272.8 Ų72.838%0.37741%0.412SS..Hα-helixtrans-76.2-48.6169.3-72.6-176000110.8K93 E94 Q95 H99 K100 A101 I109K93-L97 PolarHBondContact O-N 2.84Å; E94-L97 WeakPolarHBondContact O-CB 3.18Å; E94-L97 PolarHBondContact O-N 3.36Å; Q95-L97 VanDerWaalsContact C-N 3.32Å; Q95-L97 PolarHBondContact O-N 3.09Å; L97-H99 VanDerWaalsContact C-N 3.28Å; L97-H99 PolarHBondContact O-N 3.24Å; L97-K100 PolarHBondContact O-N 2.94Å; L97-A101 PolarHBondContact O-N 2.97Å; L97-I109 HydrophobicContact CD1-CD1 3.57Å; L97-I109 HydrophobicContact CD1-CG1 3.85Å; L97-I109 HydrophobicContact CG-CD1 4.27Å
98R73.8Confident70.5Confident49 Ų4974.1 Ų74.119%0.18542%0.421CS..Hα-helixtrans-57.7-38.5-179.3-68.7175.4-178.2-92.911.9112E94 Q95 K100 S136E94-R98 HydrophobicContact CG-CG 4.29Å; E94-R98 WeakPolarHBondContact O-CG 3.33Å; E94-R98 PolarHBondContact O-N 2.85Å; E94-R98 IonicContact OE1-CZ 3.24Å; E94-R98 VanDerWaalsContact OE1-CZ 3.26Å; E94-R98 IonicContact OE1-NE 3.08Å; E94-R98 PolarHBondContact OE1-NE 3.02Å; E94-R98 IonicContact OE1-NH2 3.96Å; E94-R98 PolarHBondContact OE1-NH2 2.83Å; Q95-R98 PolarHBondContact O-N 3.19Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 3.19Å; R98-S136 PolarHBondContact NH2-O 3.48Å; R98-S136 PolarHBondContact NH2-OG 2.97Å
99H70.6Confident69.7Low106 Ų10676.5 Ų76.549%0.49143%0.434SS..THydrogen-bonded Turntrans-71.5-15.2172.9-69.2-47.2000115.5Q95 L97 N143Q95-H99 PolarHBondContact O-CD2 3.48Å; Q95-H99 PolarHBondContact O-N 3.44Å; L97-H99 VanDerWaalsContact C-N 3.28Å; L97-H99 PolarHBondContact O-N 3.24Å; H99-N143 PolarHBondContact CE1-OD1 2.67Å; H99-N143 PolarHBondContact ND1-OD1 2.93Å
100K69.3Low68.9Low160 Ų16072.7 Ų72.770%0.69642%0.416SS*.THydrogen-bonded Turntrans-101.4-31.6-179.7-71.6172.5-169163.70113.1Q96 L97 R98Q96-K100 WeakPolarHBondContact O-CD 3.38Å; Q96-K100 WeakPolarHBondContact O-CE 3.19Å; Q96-K100 VanDerWaalsContact O-CG 3.24Å; Q96-K100 WeakPolarHBondContact O-CG 3.3Å; L97-K100 PolarHBondContact O-N 2.94Å; R98-K100 VanDerWaalsContact C-N 3.32Å; R98-K100 PolarHBondContact O-N 3.19Å
101A56Low68.3Low57 Ų5772.4 Ų72.447%0.47142%0.416SS..SBendtrans-113.290.8-178.200000110.1L97 G103L97-A101 PolarHBondContact O-N 2.97Å; A101-G103 PolarHBondContact O-N 2.96Å
102G53.7Low67.4Low75 Ų7577.4 Ų77.477%0.77345%0.45SS*.THydrogen-bonded Turntrans-57.3111.6-177.200000113S104G102-S104 PolarHBondContact O-N 2.67Å
103G53.3Low66.2Low73 Ų7381.2 Ų81.275%0.75347%0.472SS*.THydrogen-bonded Turntrans78.310.3162.800000118.3A101A101-G103 PolarHBondContact O-N 2.96Å
104S48.6Very low65.3Low79 Ų7980.9 Ų80.955%0.55247%0.474SS*.  trans-90.1109174.2-173.30000112G102 G106G102-S104 PolarHBondContact O-N 2.67Å; S104-G106 PolarHBondContact O-N 3.43Å
105N54.5Low64.2Low146 Ų14688.8 Ų88.878%0.78151%0.511SS*.THydrogen-bonded Turntrans-76.13.6173.6-73.9-12.3000113.9
106G55Low63.5Low59 Ų5991.9 Ų91.961%0.60853%0.525SS*.THydrogen-bonded Turntrans-83-19.9-17100000116.2S104S104-G106 PolarHBondContact O-N 3.43Å
107E56.4Low63.1Low163 Ų16388 Ų8876%0.76252%0.515SS*.  trans-126.992.1-174-66.6-175.3173.300111
108S65.9Low62.9Low29 Ų2985.9 Ų85.920%0.20350%0.504CS..  trans-107.4139.9171.5170.30000109.7E94 L110 V111 S136E94-S108 PolarHBondContact OE1-OG 3.33Å; E94-S108 WeakPolarHBondContact OE2-CA 3.45Å; E94-S108 WeakPolarHBondContact OE2-CB 3.39Å; E94-S108 PolarHBondContact OE2-OG 3.02Å; S108-L110 PolarHBondContact OG-N 2.97Å; S108-V111 WeakPolarHBondContact CB-O 3.5Å; S108-V111 PolarHBondContact OG-N 3.49Å; S108-S136 PolarHBondContact OG-OG 3.18Å
109I68.4Low62.9Low70 Ų7085.2 Ų85.236%0.35951%0.505SS..SBendtrans-82.8-34.1172.7-70.3173.4000109.8D90 K93 E94 L97D90-I109 HydrophobicContact CB-CG2 4.24Å; K93-I109 HydrophobicContact CB-CD1 3.53Å; E94-I109 HydrophobicContact CB-CB 4.34Å; E94-I109 PolarHBondContact OE2-N 2.99Å; L97-I109 HydrophobicContact CD1-CD1 3.57Å; L97-I109 HydrophobicContact CD1-CG1 3.85Å; L97-I109 HydrophobicContact CG-CD1 4.27Å
110L69.3Low63.1Low11 Ų1184.3 Ų84.36%0.05850%0.504CS..SBendtrans-74.3-28.9178-60.6175.7000112.4L87 D90 A91 E94 S108 R132 L135 L139L87-L110 HydrophobicContact CD1-CD2 4.22Å; D90-L110 HydrophobicContact CB-CD2 3.91Å; A91-L110 HydrophobicContact CB-CD1 4.14Å; A91-L110 HydrophobicContact CB-CD2 4.17Å; E94-L110 HydrophobicContact CB-CG 4.38Å; E94-L110 WeakPolarHBondContact OE2-CB 3.46Å; E94-L110 WeakPolarHBondContact OE2-CG 3.49Å; E94-L110 PolarHBondContact OE2-N 3.04Å; S108-L110 PolarHBondContact OG-N 2.97Å; L110-R132 HydrophobicContact CB-CB 4.26Å; L110-R132 HydrophobicContact CB-CG 4.44Å; L110-R132 HydrophobicContact CD2-CG 4.11Å; L110-L135 HydrophobicContact CD1-CB 4.32Å; L110-L135 HydrophobicContact CD1-CD2 4.11Å; L110-L135 HydrophobicContact CD1-CG 3.96Å; L110-L139 HydrophobicContact CD1-CD1 4.16Å
111V72.6Confident63.4Low23 Ų2377.4 Ų77.414%0.13947%0.474CS..SBendtrans-134.298.3-172.9-175.20000111S108 Q113 L114 L133S108-V111 WeakPolarHBondContact CB-O 3.5Å; S108-V111 PolarHBondContact OG-N 3.49Å; V111-Q113 PolarHBondContact O-N 2.93Å; V111-L114 HydrophobicContact CG1-CD1 4.43Å; V111-L114 HydrophobicContact CG1-CD2 3.49Å; V111-L114 VanDerWaalsContact CG1-CD2 3.49Å; V111-L114 HydrophobicContact CG1-CG 3.74Å; V111-L133 HydrophobicContact CG1-CD2 4.15Å; V111-L133 HydrophobicContact CG2-CD2 4Å
112S63.3Low64.6Low104 Ų10474.7 Ų74.773%0.72745%0.452SS*.  trans-79.3110.117558.20000111.7
113Q60.1Low65.8Low172 Ų17275.2 Ų75.280%0.80443%0.434SS*.  trans36.485170.5-69.1-171.3-9.800115.5V111 Q115V111-Q113 PolarHBondContact O-N 2.93Å; Q113-Q115 PolarHBondContact O-N 3.28Å
114L63.7Low66.8Low80 Ų8078.9 Ų78.942%0.41943%0.431SS..  trans-50.8133.8170.9-63.5170.1000111.2V111 L118 E121 L133V111-L114 HydrophobicContact CG1-CD1 4.43Å; V111-L114 HydrophobicContact CG1-CD2 3.49Å; V111-L114 VanDerWaalsContact CG1-CD2 3.49Å; V111-L114 HydrophobicContact CG1-CG 3.74Å; L114-L118 HydrophobicContact CD1-CD2 3.72Å; L114-L118 HydrophobicContact CD1-CG 4.37Å; L114-L118 HydrophobicContact CD2-CD2 4.15Å; L114-E121 WeakPolarHBondContact CA-OE1 3.28Å; L114-E121 HydrophobicContact CD2-CG 4.47Å; L114-E121 VanDerWaalsContact CD2-OE2 3.28Å; L114-E121 WeakPolarHBondContact CD2-OE2 3.39Å; L114-L133 HydrophobicContact CD2-CD2 4.11Å
115Q58.2Low68.3Low167 Ų16775.7 Ų75.778%0.7841%0.409SS*.SBendtrans-103.7-23.4174.5-62.5-173.6300111.8Q113 E121Q113-Q115 PolarHBondContact O-N 3.28Å; Q115-E121 PolarHBondContact N-OE1 3.28Å
116H64.7Low69.6Low124 Ų12472.8 Ų72.857%0.57439%0.393SS*.SBendtrans-131.1176.1-179.2-61.3-22.3000111.5L120 E121H116-L120 HydrophobicContact CB-CB 4.3Å; H116-E121 HydrophobicContact CB-CG 4.03Å; H116-E121 PolarHBondContact N-OE1 3.21Å
117G70.8Confident70.9Confident30 Ų3072.1 Ų72.131%0.30938%0.378SS..  trans-62.9153.6173.300000112.1T119 L120 E121G117-T119 PolarHBondContact O-N 2.97Å; G117-L120 PolarHBondContact O-N 3.1Å; G117-L120 VanDerWaalsContact O-N 3.16Å; G117-E121 PolarHBondContact O-N 2.67Å; G117-E121 VanDerWaalsContact O-N 3.14Å
118L72.1Confident72.1Confident27 Ų2767 Ų6714%0.14136%0.356CS..Hα-helixtrans-61.1-32.9-169.1-75.9166.9000112.7L114 F122 L133 E137 E158L114-L118 HydrophobicContact CD1-CD2 3.72Å; L114-L118 HydrophobicContact CD1-CG 4.37Å; L114-L118 HydrophobicContact CD2-CD2 4.15Å; L118-F122 WeakPolarHBondContact O-CB 3.4Å; L118-F122 PolarHBondContact O-N 2.97Å; L118-L133 HydrophobicContact CD2-CD2 4.22Å; L118-E137 HydrophobicContact CD1-CG 3.93Å; L118-E158 HydrophobicContact CB-CB 4.45Å; L118-E158 PolarHBondContact N-OE2 3.05Å
119T74.9Confident72.9Confident35 Ų3570.8 Ų70.822%0.21537%0.365CS..Hα-helixtrans-69.1-43178.247.70000112.9G117 F122 E123 E158G117-T119 PolarHBondContact O-N 2.97Å; T119-F122 PolarHBondContact O-N 3.42Å; T119-E123 WeakPolarHBondContact O-CB 3.5Å; T119-E123 PolarHBondContact O-N 3.43Å; T119-E158 HydrophobicContact CG2-CB 4Å; T119-E158 WeakPolarHBondContact CG2-O 3.46Å
120L74.1Confident73.7Confident87 Ų8769.5 Ų69.546%0.45536%0.356SS..Hα-helixtrans-68.1-37.9178-73.2168.7000111.6H116 G117 H124H116-L120 HydrophobicContact CB-CB 4.3Å; G117-L120 PolarHBondContact O-N 3.1Å; G117-L120 VanDerWaalsContact O-N 3.16Å; L120-H124 PolarHBondContact O-N 3.48Å; L120-H124 PolarHBondContact O-ND1 2.87Å
121E75Confident74.4Confident14 Ų1469 Ų697%0.06535%0.353CS..Hα-helixtrans-69.9-36.2173.4-67.8-152.7-165.400112.4L114 Q115 H116 G117 S125 R129 L133L114-E121 WeakPolarHBondContact CA-OE1 3.28Å; L114-E121 HydrophobicContact CD2-CG 4.47Å; L114-E121 VanDerWaalsContact CD2-OE2 3.28Å; L114-E121 WeakPolarHBondContact CD2-OE2 3.39Å; Q115-E121 PolarHBondContact N-OE1 3.28Å; H116-E121 HydrophobicContact CB-CG 4.03Å; H116-E121 PolarHBondContact N-OE1 3.21Å; G117-E121 PolarHBondContact O-N 2.67Å; G117-E121 VanDerWaalsContact O-N 3.14Å; E121-S125 WeakPolarHBondContact O-CB 3.41Å; E121-S125 PolarHBondContact O-N 3.07Å; E121-S125 PolarHBondContact O-OG 2.96Å; E121-S125 VanDerWaalsContact O-OG 3.12Å; E121-R129 IonicContact OE2-CZ 3Å; E121-R129 IonicContact OE2-NH2 2.79Å; E121-R129 PolarHBondContact OE2-NH2 3.05Å; E121-L133 HydrophobicContact CB-CD1 4.34Å
122F81.5Confident75Confident1 Ų171 Ų710%0.00436%0.359CS..Hα-helixtrans-61.9-49.8174.5-173.4-93.2000111.5L118 T119 H124 S125 R130 L133 L159 Y165 E168 V169 V172L118-F122 WeakPolarHBondContact O-CB 3.4Å; L118-F122 PolarHBondContact O-N 2.97Å; T119-F122 PolarHBondContact O-N 3.42Å; F122-H124 PolarHBondContact O-N 3.35Å; F122-S125 WeakPolarHBondContact CA-OG 3.39Å; F122-S125 PolarHBondContact O-N 2.96Å; F122-S125 VanDerWaalsContact O-N 3.15Å; F122-S125 PolarHBondContact O-OG 3.35Å; F122-R130 HydrophobicContact CD2-CB 4.25Å; F122-R130 HydrophobicContact CD2-CG 4.15Å; F122-R130 HydrophobicContact CE2-CB 3.78Å; F122-R130 HydrophobicContact CE2-CG 3.98Å; F122-R130 HydrophobicContact CZ-CB 4.29Å; F122-R130 HydrophobicContact CZ-CG 4.26Å; F122-R130 PolarHBondContact O-NE 2.98Å; F122-L133 HydrophobicContact CB-CD1 4.35Å; F122-L159 HydrophobicContact CB-CD1 4.35Å; F122-L159 HydrophobicContact CD2-CD1 3.69Å; F122-L159 HydrophobicContact CE2-CD1 4.26Å; F122-L159 HydrophobicContact CG-CD1 4.18Å; F122-Y165 HydrophobicContact CD1-CG 4.43Å; F122-E168 HydrophobicContact CE1-CB 4.22Å; F122-E168 HydrophobicContact CZ-CB 4.42Å; F122-V169 HydrophobicContact CE1-CG2 4.33Å; F122-V169 HydrophobicContact CE2-CG2 4.38Å; F122-V169 HydrophobicContact CZ-CG2 4.02Å; F122-V172 HydrophobicContact CZ-CG2 4.37Å
123E79.1Confident76Confident85 Ų8566.2 Ų66.240%0.39733%0.325SS..Hα-helixtrans-50.5-52.3177.5-177.7-178.4-178.700112.1T119 S125 R130 Y165T119-E123 WeakPolarHBondContact O-CB 3.5Å; T119-E123 PolarHBondContact O-N 3.43Å; E123-S125 VanDerWaalsContact C-N 3.29Å; E123-S125 PolarHBondContact O-N 3.29Å; E123-R130 PolarHBondContact O-NH2 3.28Å; E123-Y165 WeakPolarHBondContact CG-OH 3.4Å; E123-Y165 PolarHBondContact OE2-OH 3.44Å
124H75.1Confident77.2Confident151 Ų15158 Ų5870%0.69929%0.287SS*.THydrogen-bonded Turntrans-82.32.8-175.5-66.375.5000114.5L120 F122L120-H124 PolarHBondContact O-N 3.48Å; L120-H124 PolarHBondContact O-ND1 2.87Å; F122-H124 PolarHBondContact O-N 3.35Å
125S78.9Confident78.3Confident12 Ų1254.2 Ų54.28%0.08427%0.267CS..  trans-98.5149.2-172.764.40000114.8E121 F122 E123 R130E121-S125 WeakPolarHBondContact O-CB 3.41Å; E121-S125 PolarHBondContact O-N 3.07Å; E121-S125 PolarHBondContact O-OG 2.96Å; E121-S125 VanDerWaalsContact O-OG 3.12Å; F122-S125 WeakPolarHBondContact CA-OG 3.39Å; F122-S125 PolarHBondContact O-N 2.96Å; F122-S125 VanDerWaalsContact O-N 3.15Å; F122-S125 PolarHBondContact O-OG 3.35Å; E123-S125 VanDerWaalsContact C-N 3.29Å; E123-S125 PolarHBondContact O-N 3.29Å; S125-R130 PolarHBondContact O-NE 3.3Å; S125-R130 WeakPolarHBondContact OG-CG 3.45Å
126D82.2Confident79.6Confident84 Ų8446.9 Ų46.945%0.44923%0.234SC..  trans-70.7161.9172.965.4-81.3000112.2L128 R129 R130D126-L128 VanDerWaalsContact C-N 3.29Å; D126-L128 PolarHBondContact O-N 3.41Å; D126-L128 VanDerWaalsContact O-N 3.15Å; D126-L128 WeakPolarHBondContact OD2-CB 3.46Å; D126-L128 PolarHBondContact OD2-N 2.75Å; D126-R129 PolarHBondContact O-N 3.14Å; D126-R129 WeakPolarHBondContact OD1-CB 3.35Å; D126-R129 PolarHBondContact OD2-N 3.49Å; D126-R129 VanDerWaalsContact OD2-N 3.09Å; D126-R130 WeakPolarHBondContact O-CG 3.45Å; D126-R130 PolarHBondContact O-N 3.47Å
127P82.1Confident80.5Confident46 Ų4642.3 Ų42.330%0.29921%0.213SC..Hα-helixtrans-53.3-38-176.1-29.136.2000115A78 L79 V82 L131A78-P127 HydrophobicContact CB-CG 3.95Å; L79-P127 HydrophobicContact CD2-CB 3.96Å; L79-P127 HydrophobicContact CG-CB 4.45Å; V82-P127 HydrophobicContact CG2-CB 4.35Å; P127-L131 WeakPolarHBondContact O-CD1 3.42Å; P127-L131 VanDerWaalsContact O-CG 3.26Å; P127-L131 WeakPolarHBondContact O-CG 3.41Å; P127-L131 PolarHBondContact O-N 3.23Å
128L82.9Confident81.3Confident55 Ų5540.9 Ų40.929%0.28820%0.198SC..Hα-helixtrans-70.1-39.3177.8168.462.9000111.5V82 L87 D126 R132V82-L128 HydrophobicContact CG1-CB 4.13Å; V82-L128 HydrophobicContact CG1-CD1 3.68Å; V82-L128 HydrophobicContact CG1-CG 4.41Å; V82-L128 HydrophobicContact CG2-CB 4.42Å; L87-L128 HydrophobicContact CD1-CD1 4.34Å; D126-L128 VanDerWaalsContact C-N 3.29Å; D126-L128 PolarHBondContact O-N 3.41Å; D126-L128 VanDerWaalsContact O-N 3.15Å; D126-L128 WeakPolarHBondContact OD2-CB 3.46Å; D126-L128 PolarHBondContact OD2-N 2.75Å; L128-R132 HydrophobicContact CD1-CG 4.4Å; L128-R132 WeakPolarHBondContact O-CG 3.45Å; L128-R132 PolarHBondContact O-N 3.47Å
129R82.1Confident81.9Confident108 Ų10839.7 Ų39.741%0.40819%0.191SC..Hα-helixtrans-71.9-34.4174.8-179.1174.6-178.8165.52112.5E121 D126 R132 L133E121-R129 IonicContact OE2-CZ 3Å; E121-R129 IonicContact OE2-NH2 2.79Å; E121-R129 PolarHBondContact OE2-NH2 3.05Å; D126-R129 PolarHBondContact O-N 3.14Å; D126-R129 WeakPolarHBondContact OD1-CB 3.35Å; D126-R129 PolarHBondContact OD2-N 3.49Å; D126-R129 VanDerWaalsContact OD2-N 3.09Å; R129-R132 PolarHBondContact O-N 3.03Å; R129-L133 HydrophobicContact CG-CD1 4.2Å; R129-L133 HydrophobicContact CG-CG 4.4Å; R129-L133 WeakPolarHBondContact O-CB 3.32Å; R129-L133 WeakPolarHBondContact O-CG 3.25Å; R129-L133 PolarHBondContact O-N 2.99Å
130R84.8Confident82.3Confident43 Ų4338.9 Ų38.916%0.16219%0.189CC..Hα-helixtrans-58.3-49169.7-69.6178.8176.9-140.7-11.3111.5F122 E123 S125 D126 R132 L133 T134 E168F122-R130 HydrophobicContact CD2-CB 4.25Å; F122-R130 HydrophobicContact CD2-CG 4.15Å; F122-R130 HydrophobicContact CE2-CB 3.78Å; F122-R130 HydrophobicContact CE2-CG 3.98Å; F122-R130 HydrophobicContact CZ-CB 4.29Å; F122-R130 HydrophobicContact CZ-CG 4.26Å; F122-R130 PolarHBondContact O-NE 2.98Å; E123-R130 PolarHBondContact O-NH2 3.28Å; S125-R130 PolarHBondContact O-NE 3.3Å; S125-R130 WeakPolarHBondContact OG-CG 3.45Å; D126-R130 WeakPolarHBondContact O-CG 3.45Å; D126-R130 PolarHBondContact O-N 3.47Å; R130-R132 PolarHBondContact O-N 3.46Å; R130-L133 PolarHBondContact O-N 3.37Å; R130-T134 PolarHBondContact O-N 2.97Å; R130-T134 PolarHBondContact O-OG1 2.61Å; R130-E168 IonicContact CZ-OE2 2.68Å; R130-E168 IonicContact NH1-OE2 2.66Å; R130-E168 PolarHBondContact NH1-OE2 2.88Å
131L84.4Confident82.8Confident0 Ų034.9 Ų34.90%017%0.168CC..Hα-helixtrans-56.4-47.8173.4-72.3162.3000111.6L79 V82 F84 L87 P127 L135 V172 L176L79-L131 HydrophobicContact CD2-CD1 4.17Å; L79-L131 HydrophobicContact CD2-CD2 4.16Å; L79-L131 HydrophobicContact CD2-CG 3.81Å; V82-L131 HydrophobicContact CB-CD1 3.98Å; V82-L131 HydrophobicContact CG1-CD1 3.96Å; V82-L131 HydrophobicContact CG2-CD1 3.86Å; F84-L131 HydrophobicContact CE1-CD1 4.26Å; F84-L131 HydrophobicContact CE1-CD2 4.4Å; F84-L131 HydrophobicContact CZ-CD1 4.47Å; L87-L131 HydrophobicContact CD2-CB 4.03Å; L87-L131 HydrophobicContact CD2-CD1 4.39Å; P127-L131 WeakPolarHBondContact O-CD1 3.42Å; P127-L131 VanDerWaalsContact O-CG 3.26Å; P127-L131 WeakPolarHBondContact O-CG 3.41Å; P127-L131 PolarHBondContact O-N 3.23Å; L131-L135 WeakPolarHBondContact O-CB 3.37Å; L131-L135 PolarHBondContact O-N 3.41Å; L131-V172 HydrophobicContact CD2-CG1 4.21Å; L131-L176 HydrophobicContact CB-CD2 4.34Å; L131-L176 HydrophobicContact CD2-CD1 4.34Å; L131-L176 HydrophobicContact CD2-CD2 3.64Å; L131-L176 HydrophobicContact CD2-CG 3.66Å
132R85.3Confident83.3Confident66 Ų6635.3 Ų35.325%0.24917%0.17CC..Hα-helixtrans-63.7-40.1179.4-77.9178.2163.8152.6-7.5113.8L87 D90 L110 L128 R129 R130 S136L87-R132 HydrophobicContact CD1-CG 3.59Å; D90-R132 IonicContact OD2-CZ 2.7Å; D90-R132 IonicContact OD2-NH2 2.88Å; D90-R132 PolarHBondContact OD2-NH2 2.85Å; L110-R132 HydrophobicContact CB-CB 4.26Å; L110-R132 HydrophobicContact CB-CG 4.44Å; L110-R132 HydrophobicContact CD2-CG 4.11Å; L128-R132 HydrophobicContact CD1-CG 4.4Å; L128-R132 WeakPolarHBondContact O-CG 3.45Å; L128-R132 PolarHBondContact O-N 3.47Å; R129-R132 PolarHBondContact O-N 3.03Å; R130-R132 PolarHBondContact O-N 3.46Å; R132-S136 VanDerWaalsContact O-CB 3.28Å; R132-S136 WeakPolarHBondContact O-CB 3.31Å; R132-S136 PolarHBondContact O-N 3.43Å
133L84.8Confident83.4Confident4 Ų435.8 Ų35.82%0.02117%0.172CC..Hα-helixtrans-63.5-53.4178.1-75.6167.9000111.3V111 L114 L118 E121 F122 R129 R130 L135 S136 E137V111-L133 HydrophobicContact CG1-CD2 4.15Å; V111-L133 HydrophobicContact CG2-CD2 4Å; L114-L133 HydrophobicContact CD2-CD2 4.11Å; L118-L133 HydrophobicContact CD2-CD2 4.22Å; E121-L133 HydrophobicContact CB-CD1 4.34Å; F122-L133 HydrophobicContact CB-CD1 4.35Å; R129-L133 HydrophobicContact CG-CD1 4.2Å; R129-L133 HydrophobicContact CG-CG 4.4Å; R129-L133 WeakPolarHBondContact O-CB 3.32Å; R129-L133 WeakPolarHBondContact O-CG 3.25Å; R129-L133 PolarHBondContact O-N 2.99Å; R130-L133 PolarHBondContact O-N 3.37Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 2.96Å; L133-S136 PolarHBondContact O-N 3.04Å; L133-E137 PolarHBondContact O-N 3.4Å
134T85.6Confident83.5Confident0 Ų036.6 Ų36.60%018%0.175CC..Hα-helixtrans-63.3-38.9178.9-55.80000111.7R130 E137 L138 L159 F160 V169 V172 L176R130-T134 PolarHBondContact O-N 2.97Å; R130-T134 PolarHBondContact O-OG1 2.61Å; T134-E137 PolarHBondContact O-N 3.37Å; T134-L138 VanDerWaalsContact O-CB 3.3Å; T134-L138 WeakPolarHBondContact O-CB 3.46Å; T134-L138 PolarHBondContact O-N 3.47Å; T134-L159 HydrophobicContact CG2-CD2 4.18Å; T134-F160 HydrophobicContact CG2-CE1 4.48Å; T134-F160 HydrophobicContact CG2-CZ 4.06Å; T134-V169 HydrophobicContact CG2-CG1 4.48Å; T134-V172 HydrophobicContact CG2-CG1 3.93Å; T134-L176 HydrophobicContact CG2-CD1 4.35Å
135L85.6Confident83.8Confident0 Ų031.2 Ų31.20%015%0.152CC..Hα-helixtrans-65.9-41.7177.2-174.958.8000112.5L87 A91 L110 L131 L133 L138 L139 L176 L180 L183 L184L87-L135 HydrophobicContact CD1-CD2 4.1Å; L87-L135 HydrophobicContact CG-CD2 4.15Å; A91-L135 HydrophobicContact CB-CD2 3.62Å; A91-L135 HydrophobicContact CB-CG 4.34Å; L110-L135 HydrophobicContact CD1-CB 4.32Å; L110-L135 HydrophobicContact CD1-CD2 4.11Å; L110-L135 HydrophobicContact CD1-CG 3.96Å; L131-L135 WeakPolarHBondContact O-CB 3.37Å; L131-L135 PolarHBondContact O-N 3.41Å; L133-L135 VanDerWaalsContact C-N 3.33Å; L133-L135 PolarHBondContact O-N 2.96Å; L135-L138 PolarHBondContact O-N 2.84Å; L135-L139 HydrophobicContact CD1-CD1 4.09Å; L135-L139 HydrophobicContact CD1-CG 4.19Å; L135-L139 HydrophobicContact CG-CD1 4Å; L135-L139 HydrophobicContact CG-CG 4.5Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.01Å; L135-L176 HydrophobicContact CB-CD1 4.12Å; L135-L176 HydrophobicContact CB-CD2 4.42Å; L135-L176 HydrophobicContact CD2-CD2 4.28Å; L135-L180 HydrophobicContact CD2-CD1 4.32Å; L135-L183 HydrophobicContact CD1-CD2 4.2Å; L135-L183 HydrophobicContact CD2-CD2 4.36Å; L135-L184 HydrophobicContact CD1-CD1 3.93Å; L135-L184 HydrophobicContact CD1-CD2 4.1Å; L135-L184 HydrophobicContact CD1-CG 4.32Å
136S84.8Confident83.7Confident12 Ų1235 Ų358%0.08418%0.175CC..Hα-helixtrans-65-41.8176.4-173.50000111.9E94 R98 S108 R132 L133 A140E94-S136 PolarHBondContact OE1-OG 3.47Å; R98-S136 PolarHBondContact NH2-O 3.48Å; R98-S136 PolarHBondContact NH2-OG 2.97Å; S108-S136 PolarHBondContact OG-OG 3.18Å; R132-S136 VanDerWaalsContact O-CB 3.28Å; R132-S136 WeakPolarHBondContact O-CB 3.31Å; R132-S136 PolarHBondContact O-N 3.43Å; L133-S136 PolarHBondContact O-N 3.04Å; S136-A140 VanDerWaalsContact O-CB 3.28Å; S136-A140 WeakPolarHBondContact O-CB 3.49Å; S136-A140 PolarHBondContact O-N 3.22Å
137E84.9Confident83.2Confident29 Ų2935.6 Ų35.614%0.13618%0.178CC..Hα-helixtrans-66.6-39.1176-95.3-69.596.100113.1L118 L133 T134 A140 I141 K155 S157 F160L118-E137 HydrophobicContact CD1-CG 3.93Å; L133-E137 PolarHBondContact O-N 3.4Å; T134-E137 PolarHBondContact O-N 3.37Å; E137-A140 PolarHBondContact O-N 2.91Å; E137-I141 WeakPolarHBondContact O-CG1 3.42Å; E137-I141 PolarHBondContact O-N 3.47Å; E137-K155 PolarHBondContact O-NZ 3.39Å; E137-K155 IonicContact OE1-NZ 2.71Å; E137-K155 PolarHBondContact OE1-NZ 3Å; E137-K155 IonicContact OE2-NZ 2.96Å; E137-K155 PolarHBondContact OE2-NZ 3.23Å; E137-S157 WeakPolarHBondContact OE2-CB 3.38Å; E137-S157 PolarHBondContact OE2-OG 2.92Å; E137-F160 HydrophobicContact CB-CE2 4.27Å
138L86.4Confident82.5Confident0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-67.7-48.8176-18061.4000111.5T134 L135 A140 I141 M142 L173 L184 V189 A192T134-L138 VanDerWaalsContact O-CB 3.3Å; T134-L138 WeakPolarHBondContact O-CB 3.46Å; T134-L138 PolarHBondContact O-N 3.47Å; L135-L138 PolarHBondContact O-N 2.84Å; L138-A140 PolarHBondContact O-N 3.16Å; L138-I141 WeakPolarHBondContact O-CA 3.41Å; L138-I141 WeakPolarHBondContact O-CB 3.35Å; L138-I141 PolarHBondContact O-N 3.47Å; L138-M142 HydrophobicContact CD1-CG 4.47Å; L138-M142 HydrophobicContact CD1-SD 4.4Å; L138-M142 HydrophobicContact CG-SD 3.99Å; L138-M142 WeakPolarHBondContact O-CG 3.44Å; L138-M142 PolarHBondContact O-N 3.25Å; L138-L173 HydrophobicContact CD2-CD1 3.81Å; L138-L184 HydrophobicContact CD2-CD1 4.12Å; L138-L184 HydrophobicContact CD2-CD2 3.87Å; L138-V189 HydrophobicContact CD1-CG1 4.5Å; L138-V189 HydrophobicContact CD2-CG1 4.47Å; L138-V189 HydrophobicContact CD2-CG2 4.4Å; L138-A192 HydrophobicContact CD1-CB 4.29Å
139L85.8Confident81.5Confident1 Ų140 Ų401%0.00520%0.202CC..Hα-helixtrans-61.8-33.7175.7-70.8172.4000111.6A91 L110 L135 I141 M142 N143 L184A91-L139 HydrophobicContact CB-CD1 4.23Å; L110-L139 HydrophobicContact CD1-CD1 4.16Å; L135-L139 HydrophobicContact CD1-CD1 4.09Å; L135-L139 HydrophobicContact CD1-CG 4.19Å; L135-L139 HydrophobicContact CG-CD1 4Å; L135-L139 HydrophobicContact CG-CG 4.5Å; L135-L139 WeakPolarHBondContact O-CB 3.43Å; L135-L139 VanDerWaalsContact O-CG 3.26Å; L135-L139 WeakPolarHBondContact O-CG 3.39Å; L135-L139 PolarHBondContact O-N 3.01Å; L139-I141 VanDerWaalsContact C-N 3.31Å; L139-I141 PolarHBondContact O-N 3.49Å; L139-M142 HydrophobicContact CD2-SD 4.21Å; L139-M142 PolarHBondContact O-N 2.95Å; L139-N143 PolarHBondContact O-N 3.25Å; L139-N143 PolarHBondContact O-ND2 3.12Å; L139-L184 HydrophobicContact CD2-CD2 4.38Å
140A83.2Confident80.5Confident19 Ų1938.5 Ų38.516%0.15722%0.22CC..Hα-helixtrans-63.8-33.7172.500000112.9S136 E137 L138 K144S136-A140 VanDerWaalsContact O-CB 3.28Å; S136-A140 WeakPolarHBondContact O-CB 3.49Å; S136-A140 PolarHBondContact O-N 3.22Å; E137-A140 PolarHBondContact O-N 2.91Å; L138-A140 PolarHBondContact O-N 3.16Å; A140-K144 WeakPolarHBondContact O-CB 3.46Å; A140-K144 PolarHBondContact O-N 2.68Å
141I85.3Confident79.9Confident2 Ų244.1 Ų44.11%0.0125%0.248CC..Hα-helixtrans-71.6-52.7172.4-62.4156.3000109.8E137 L138 L139 N143 K144 V145 K155 F160 A192 H195 V196E137-I141 WeakPolarHBondContact O-CG1 3.42Å; E137-I141 PolarHBondContact O-N 3.47Å; L138-I141 WeakPolarHBondContact O-CA 3.41Å; L138-I141 WeakPolarHBondContact O-CB 3.35Å; L138-I141 PolarHBondContact O-N 3.47Å; L139-I141 VanDerWaalsContact C-N 3.31Å; L139-I141 PolarHBondContact O-N 3.49Å; I141-N143 PolarHBondContact O-N 3.29Å; I141-K144 CarbonylContact O-C 3.52Å; I141-K144 WeakPolarHBondContact O-CA 3.48Å; I141-K144 WeakPolarHBondContact O-CB 3.22Å; I141-K144 PolarHBondContact O-N 2.89Å; I141-V145 HydrophobicContact CG2-CG2 4.16Å; I141-V145 WeakPolarHBondContact O-CG2 3.26Å; I141-V145 PolarHBondContact O-N 3.24Å; I141-K155 HydrophobicContact CD1-CD 4.09Å; I141-K155 HydrophobicContact CG1-CD 3.46Å; I141-K155 VanDerWaalsContact CG1-CD 3.46Å; I141-F160 HydrophobicContact CD1-CE2 4.31Å; I141-A192 HydrophobicContact CB-CB 4.45Å; I141-A192 HydrophobicContact CG2-CB 3.79Å; I141-A192 WeakPolarHBondContact CG2-O 3.37Å; I141-H195 HydrophobicContact CG2-CB 4.29Å; I141-V196 HydrophobicContact CD1-CG2 3.63Å
142M85.1Confident79.7Confident24 Ų2446.9 Ų46.912%0.11826%0.26CS..Hα-helixtrans-55.7-47.3-175.8-66.8170.580.500112.5L138 L139 K144 V145 T146 L184 D188 V189 A192L138-M142 HydrophobicContact CD1-CG 4.47Å; L138-M142 HydrophobicContact CD1-SD 4.4Å; L138-M142 HydrophobicContact CG-SD 3.99Å; L138-M142 WeakPolarHBondContact O-CG 3.44Å; L138-M142 PolarHBondContact O-N 3.25Å; L139-M142 HydrophobicContact CD2-SD 4.21Å; L139-M142 PolarHBondContact O-N 2.95Å; M142-K144 VanDerWaalsContact C-N 3.33Å; M142-K144 PolarHBondContact O-N 2.87Å; M142-V145 PolarHBondContact O-N 3.32Å; M142-T146 PolarHBondContact O-N 3.1Å; M142-T146 VanDerWaalsContact O-N 3.09Å; M142-L184 HydrophobicContact CE-CD2 4.3Å; M142-L184 HydrophobicContact SD-CD2 3.84Å; M142-D188 HydrophobicContact CE-CB 3.77Å; M142-V189 HydrophobicContact CE-CG2 4.43Å; M142-A192 HydrophobicContact CG-CB 3.73Å
143N83.1Confident79.7Confident10 Ų1045.1 Ų45.15%0.05325%0.254CS..Hα-helixtrans-63.1-38.3176.1-74.7-81.9000112H99 L139 I141 V145 T146 D147H99-N143 PolarHBondContact CE1-OD1 2.67Å; H99-N143 PolarHBondContact ND1-OD1 2.93Å; L139-N143 PolarHBondContact O-N 3.25Å; L139-N143 PolarHBondContact O-ND2 3.12Å; I141-N143 PolarHBondContact O-N 3.29Å; N143-V145 VanDerWaalsContact C-N 3.33Å; N143-V145 PolarHBondContact O-N 3.39Å; N143-T146 PolarHBondContact O-N 2.93Å; N143-T146 PolarHBondContact O-OG1 2.76Å; N143-D147 WeakPolarHBondContact O-CB 3.49Å; N143-D147 PolarHBondContact O-N 2.76Å
144K80.8Confident79.5Confident102 Ų10249.1 Ų49.144%0.44328%0.275SS..Hα-helixtrans-67.2-34.9175.9-169.8179.9172.5-173.40111.9A140 I141 M142 D147 S148 F153A140-K144 WeakPolarHBondContact O-CB 3.46Å; A140-K144 PolarHBondContact O-N 2.68Å; I141-K144 CarbonylContact O-C 3.52Å; I141-K144 WeakPolarHBondContact O-CA 3.48Å; I141-K144 WeakPolarHBondContact O-CB 3.22Å; I141-K144 PolarHBondContact O-N 2.89Å; M142-K144 VanDerWaalsContact C-N 3.33Å; M142-K144 PolarHBondContact O-N 2.87Å; K144-D147 PolarHBondContact O-N 2.81Å; K144-S148 WeakPolarHBondContact O-CB 3.38Å; K144-S148 PolarHBondContact O-N 2.83Å; K144-S148 VanDerWaalsContact O-N 3.09Å; K144-S148 PolarHBondContact O-OG 3.19Å; K144-F153 HydrophobicContact CB-CE1 4.3Å; K144-F153 HydrophobicContact CB-CZ 3.92Å; K144-F153 HydrophobicContact CD-CD1 4.35Å; K144-F153 HydrophobicContact CD-CD2 4.21Å; K144-F153 HydrophobicContact CD-CE1 3.94Å; K144-F153 HydrophobicContact CD-CE2 3.8Å; K144-F153 HydrophobicContact CD-CG 4.49Å; K144-F153 HydrophobicContact CD-CZ 3.65Å; K144-F153 HydrophobicContact CG-CD1 4.43Å; K144-F153 HydrophobicContact CG-CE1 3.72Å; K144-F153 HydrophobicContact CG-CE2 4.34Å; K144-F153 HydrophobicContact CG-CZ 3.68Å
145V80.9Confident79.3Confident38 Ų3851 Ų5123%0.2328%0.284CS..Hα-helixtrans-63.7-42.8174.5175.70000110.9I141 M142 N143 D147 F153 H195I141-V145 HydrophobicContact CG2-CG2 4.16Å; I141-V145 WeakPolarHBondContact O-CG2 3.26Å; I141-V145 PolarHBondContact O-N 3.24Å; M142-V145 PolarHBondContact O-N 3.32Å; N143-V145 VanDerWaalsContact C-N 3.33Å; N143-V145 PolarHBondContact O-N 3.39Å; V145-D147 VanDerWaalsContact C-N 3.34Å; V145-D147 PolarHBondContact O-N 3.38Å; V145-F153 HydrophobicContact CG2-CE1 4.16Å; V145-F153 HydrophobicContact CG2-CZ 3.87Å; V145-H195 WeakPolarHBondContact CG2-CD2 3.41Å; V145-H195 WeakPolarHBondContact CG2-NE2 3.47Å
146T77.8Confident78.8Confident93 Ų9355.3 Ų55.357%0.57131%0.313SS*.Hα-helixtrans-65.2-36.3175.854.40000113M142 N143M142-T146 PolarHBondContact O-N 3.1Å; M142-T146 VanDerWaalsContact O-N 3.09Å; N143-T146 PolarHBondContact O-N 2.93Å; N143-T146 PolarHBondContact O-OG1 2.76Å
147D72.4Confident78.5Confident96 Ų9654.9 Ų54.951%0.51331%0.31SS..Hα-helixtrans-81.4-18.9-175.9-66.9-1.7000113.8N143 K144 V145 N149N143-D147 WeakPolarHBondContact O-CB 3.49Å; N143-D147 PolarHBondContact O-N 2.76Å; K144-D147 PolarHBondContact O-N 2.81Å; V145-D147 VanDerWaalsContact C-N 3.34Å; V145-D147 PolarHBondContact O-N 3.38Å; D147-N149 PolarHBondContact O-N 3.06Å; D147-N149 VanDerWaalsContact O-N 3.1Å
148S67.4Low78.2Confident27 Ų2758.5 Ų58.519%0.18933%0.327CS..THydrogen-bonded Turntrans-76.56.9-170.3-64.80000115.3K144 G150 E151 F153K144-S148 WeakPolarHBondContact O-CB 3.38Å; K144-S148 PolarHBondContact O-N 2.83Å; K144-S148 VanDerWaalsContact O-N 3.09Å; K144-S148 PolarHBondContact O-OG 3.19Å; S148-G150 PolarHBondContact O-N 3.49Å; S148-E151 PolarHBondContact O-N 3.44Å; S148-F153 WeakPolarHBondContact OG-CE1 3.45Å
149N60.6Low78Confident166 Ų16658.6 Ų58.689%0.88833%0.328SS*.THydrogen-bonded Turntrans50.921.1179.9-74.1-44.1000115.6D147D147-N149 PolarHBondContact O-N 3.06Å; D147-N149 VanDerWaalsContact O-N 3.1Å
150G62.7Low77.8Confident76 Ų7658.6 Ų58.678%0.78433%0.328SS*.THydrogen-bonded Turntrans93.60.6-177.100000116S148S148-G150 PolarHBondContact O-N 3.49Å
151E71.6Confident77.8Confident162 Ų16259.8 Ų59.876%0.75733%0.33SS*.  trans-74.9125.8171.2-68.5-163.9164.400111.5S148S148-E151 PolarHBondContact O-N 3.44Å
152F80.8Confident77.6Confident57 Ų5760.8 Ų60.825%0.2534%0.337CS..  trans-81.3121.2-179.6-178.1-88.8000112L194 H195 V233F152-L194 HydrophobicContact CE2-CB 4.39Å; F152-L194 WeakPolarHBondContact CZ-O 3.46Å; F152-H195 AromaticContact CD2-CE1 3.34Å; F152-H195 WeakPolarHBondContact CD2-CE1 3.49Å; F152-H195 AromaticContact CD2-ND1 3.68Å; F152-H195 AromaticContact CE2-CE1 3.57Å; F152-H195 AromaticContact CE2-ND1 3.52Å; F152-V233 HydrophobicContact CD1-CB 3.87Å; F152-V233 HydrophobicContact CD1-CG1 4.1Å; F152-V233 HydrophobicContact CE1-CB 3.94Å; F152-V233 HydrophobicContact CE1-CG1 3.63Å
153F83.9Confident77.2Confident30 Ų3064.8 Ų64.813%0.13237%0.365CS..  trans-112.1160171.864.4-90.6000112K144 V145 S148 K155 H195K144-F153 HydrophobicContact CB-CE1 4.3Å; K144-F153 HydrophobicContact CB-CZ 3.92Å; K144-F153 HydrophobicContact CD-CD1 4.35Å; K144-F153 HydrophobicContact CD-CD2 4.21Å; K144-F153 HydrophobicContact CD-CE1 3.94Å; K144-F153 HydrophobicContact CD-CE2 3.8Å; K144-F153 HydrophobicContact CD-CG 4.49Å; K144-F153 HydrophobicContact CD-CZ 3.65Å; K144-F153 HydrophobicContact CG-CD1 4.43Å; K144-F153 HydrophobicContact CG-CE1 3.72Å; K144-F153 HydrophobicContact CG-CE2 4.34Å; K144-F153 HydrophobicContact CG-CZ 3.68Å; V145-F153 HydrophobicContact CG2-CE1 4.16Å; V145-F153 HydrophobicContact CG2-CZ 3.87Å; S148-F153 WeakPolarHBondContact OG-CE1 3.45Å; F153-K155 HydrophobicContact CD2-CB 4.4Å; F153-K155 HydrophobicContact CE2-CB 4.19Å; F153-H195 AromaticContact CD1-ND1 3.93Å; F153-H195 HydrophobicContact CD2-CB 4.35Å; F153-H195 AromaticContact CD2-ND1 4Å; F153-H195 AromaticContact CE1-ND1 3.85Å; F153-H195 HydrophobicContact CE2-CB 3.86Å; F153-H195 AromaticContact CE2-ND1 3.92Å; F153-H195 AromaticContact CG-ND1 4Å; F153-H195 HydrophobicContact CZ-CB 4.26Å; F153-H195 AromaticContact CZ-CG 3.97Å; F153-H195 AromaticContact CZ-ND1 3.83Å; F153-H195 PolarHBondContact O-ND1 2.96Å
154L80.9Confident77Confident87 Ų8769.6 Ų69.646%0.45540%0.395SS..  trans-108.7125.6165.6-17175.4000108.5R197L154-R197 HydrophobicContact CD1-CG 4.43Å; L154-R197 HydrophobicContact CD2-CG 4.15Å
155K81.1Confident77Confident41 Ų4166.7 Ų66.718%0.17838%0.381CS..  trans-96.5118.4172.5-173.2-169.2-177.1-165.20108.9E137 I141 F153 S157 H195E137-K155 PolarHBondContact O-NZ 3.39Å; E137-K155 IonicContact OE1-NZ 2.71Å; E137-K155 PolarHBondContact OE1-NZ 3Å; E137-K155 IonicContact OE2-NZ 2.96Å; E137-K155 PolarHBondContact OE2-NZ 3.23Å; I141-K155 HydrophobicContact CD1-CD 4.09Å; I141-K155 HydrophobicContact CG1-CD 3.46Å; I141-K155 VanDerWaalsContact CG1-CD 3.46Å; F153-K155 HydrophobicContact CD2-CB 4.4Å; F153-K155 HydrophobicContact CE2-CB 4.19Å; K155-S157 PolarHBondContact O-N 3.46Å; K155-H195 PolarHBondContact N-O 2.98Å
156S75.1Confident77.2Confident89 Ų8965.2 Ų65.262%0.62237%0.372SS*.  trans-71.6116.616051.60000109E161S156-E161 WeakPolarHBondContact CA-OE1 3.48Å
157S79.1Confident77.4Confident3 Ų365.2 Ų65.22%0.02137%0.365CS..  trans-123.6123.4173.8175.90000109.1E137 K155 L159 F160 E161E137-S157 WeakPolarHBondContact OE2-CB 3.38Å; E137-S157 PolarHBondContact OE2-OG 2.92Å; K155-S157 PolarHBondContact O-N 3.46Å; S157-L159 PolarHBondContact O-N 3.15Å; S157-F160 PolarHBondContact O-N 2.81Å; S157-E161 WeakPolarHBondContact O-CB 3.5Å; S157-E161 WeakPolarHBondContact O-CG 3.35Å; S157-E161 PolarHBondContact O-N 3.12Å
158E78.3Confident78Confident105 Ų10563.7 Ų63.749%0.49136%0.355SS..Hα-helixtrans-57.1-36.5-177.9-53.8-178.9150.700111.7L118 T119 S162L118-E158 HydrophobicContact CB-CB 4.45Å; L118-E158 PolarHBondContact N-OE2 3.05Å; T119-E158 HydrophobicContact CG2-CB 4Å; T119-E158 WeakPolarHBondContact CG2-O 3.46Å; E158-S162 WeakPolarHBondContact O-CB 3.5Å; E158-S162 PolarHBondContact O-N 3.23Å
159L81.4Confident78.9Confident3 Ų362.4 Ų62.42%0.01635%0.346CS..Hα-helixtrans-74.5-39.5-175.5-177.7140.3000112.8F122 T134 S157 V169F122-L159 HydrophobicContact CB-CD1 4.35Å; F122-L159 HydrophobicContact CD2-CD1 3.69Å; F122-L159 HydrophobicContact CE2-CD1 4.26Å; F122-L159 HydrophobicContact CG-CD1 4.18Å; T134-L159 HydrophobicContact CG2-CD2 4.18Å; S157-L159 PolarHBondContact O-N 3.15Å; L159-V169 HydrophobicContact CD2-CB 4.34Å; L159-V169 HydrophobicContact CD2-CG1 3.6Å; L159-V169 HydrophobicContact CD2-CG2 3.7Å; L159-V169 HydrophobicContact CG-CG2 3.82Å
160F83.4Confident80.1Confident0 Ų054.7 Ų54.70%031%0.306CS..Hα-helixtrans-89-6.3178-65.8-79.5000114.1T134 E137 I141 S157 L166 V169 V196 N198 F202T134-F160 HydrophobicContact CG2-CE1 4.48Å; T134-F160 HydrophobicContact CG2-CZ 4.06Å; E137-F160 HydrophobicContact CB-CE2 4.27Å; I141-F160 HydrophobicContact CD1-CE2 4.31Å; S157-F160 PolarHBondContact O-N 2.81Å; F160-L166 VanDerWaalsContact O-CD2 3.28Å; F160-L166 WeakPolarHBondContact O-CD2 3.27Å; F160-V169 HydrophobicContact CD1-CG1 3.7Å; F160-V169 HydrophobicContact CE1-CG1 3.7Å; F160-V196 HydrophobicContact CB-CG1 3.42Å; F160-V196 VanDerWaalsContact CB-CG1 3.42Å; F160-V196 HydrophobicContact CG-CG1 4.06Å; F160-N198 PolarHBondContact O-ND2 3.43Å; F160-F202 HydrophobicContact CB-CE2 4.12Å; F160-F202 HydrophobicContact CD1-CD2 4.23Å; F160-F202 HydrophobicContact CD1-CE1 4.39Å; F160-F202 AromaticContact CD1-CE2 3.78Å; F160-F202 HydrophobicContact CD1-CE2 3.78Å; F160-F202 AromaticContact CD1-CZ 3.87Å; F160-F202 HydrophobicContact CD1-CZ 3.87Å; F160-F202 HydrophobicContact CG-CE2 4.46Å
161E82.9Confident81.3Confident44 Ų4451.4 Ų51.421%0.20627%0.27CS..Hα-helixtrans-107.6-15.6176-66.5-173.6-166.800114S156 S157 P163 R197S156-E161 WeakPolarHBondContact CA-OE1 3.48Å; S157-E161 WeakPolarHBondContact O-CB 3.5Å; S157-E161 WeakPolarHBondContact O-CG 3.35Å; S157-E161 PolarHBondContact O-N 3.12Å; E161-P163 WeakPolarHBondContact O-CD 3.49Å; E161-R197 HydrophobicContact CG-CB 4.21Å; E161-R197 WeakPolarHBondContact OE1-CD 3.29Å; E161-R197 VanDerWaalsContact OE1-CG 3.29Å; E161-R197 WeakPolarHBondContact OE1-CG 3.3Å; E161-R197 IonicContact OE1-CZ 3.56Å; E161-R197 IonicContact OE1-NE 2.66Å; E161-R197 IonicContact OE1-NH1 3.7Å; E161-R197 IonicContact OE2-CZ 2.65Å; E161-R197 VanDerWaalsContact OE2-CZ 3.24Å; E161-R197 IonicContact OE2-NE 3.87Å; E161-R197 IonicContact OE2-NH1 3.72Å; E161-R197 PolarHBondContact OE2-NH1 3.36Å; E161-R197 IonicContact OE2-NH2 3.73Å
162S81.6Confident82Confident23 Ų2343.8 Ų43.816%0.16123%0.234CC..  trans-71.8112.3-179.3-179.30000112.4E158 V164 Y165 L166E158-S162 WeakPolarHBondContact O-CB 3.5Å; E158-S162 PolarHBondContact O-N 3.23Å; S162-V164 PolarHBondContact O-N 2.89Å; S162-V164 VanDerWaalsContact O-N 3.09Å; S162-Y165 PolarHBondContact O-N 3.12Å; S162-L166 WeakPolarHBondContact O-CD2 3.42Å; S162-L166 VanDerWaalsContact O-CG 3.27Å; S162-L166 WeakPolarHBondContact O-CG 3.47Å; S162-L166 PolarHBondContact O-N 3.19Å
163P75.4Confident82.4Confident108 Ų10841.1 Ų41.170%0.70122%0.223SC*.THydrogen-bonded Turntrans-65.6-19.2-171.227.4-35.9000114.2E161E161-P163 WeakPolarHBondContact O-CD 3.49Å
164V78.6Confident82.6Confident112 Ų11240.2 Ų40.268%0.67922%0.22SC*.THydrogen-bonded Turntrans-76.7-31.5-179.6-176.20000111.9S162S162-V164 PolarHBondContact O-N 2.89Å; S162-V164 VanDerWaalsContact O-N 3.09Å
165Y81.6Confident82.9Confident41 Ų4136.3 Ų36.316%0.16120%0.2CC..THydrogen-bonded Turntrans-111.42.1-171.3-57.1-53.5000114F122 E123 S162 E167 E168 V169F122-Y165 HydrophobicContact CD1-CG 4.43Å; E123-Y165 WeakPolarHBondContact CG-OH 3.4Å; E123-Y165 PolarHBondContact OE2-OH 3.44Å; S162-Y165 PolarHBondContact O-N 3.12Å; Y165-E167 VanDerWaalsContact C-N 3.28Å; Y165-E167 PolarHBondContact O-N 2.9Å; Y165-E168 PolarHBondContact O-N 3.35Å; Y165-V169 WeakPolarHBondContact O-CB 3.35Å; Y165-V169 VanDerWaalsContact O-CG2 3.28Å; Y165-V169 WeakPolarHBondContact O-CG2 3.15Å; Y165-V169 PolarHBondContact O-N 3.36Å
166L84.8Confident83.2Confident7 Ų734.4 Ų34.44%0.03719%0.191CC..Hα-helixtrans-55.5-39.6-176.7-62.3-177.5000113.3L7 F160 S162 A170 W201 F202L7-L166 HydrophobicContact CD1-CD1 4.34Å; L7-L166 HydrophobicContact CD2-CD1 3.64Å; F160-L166 VanDerWaalsContact O-CD2 3.28Å; F160-L166 WeakPolarHBondContact O-CD2 3.27Å; S162-L166 WeakPolarHBondContact O-CD2 3.42Å; S162-L166 VanDerWaalsContact O-CG 3.27Å; S162-L166 WeakPolarHBondContact O-CG 3.47Å; S162-L166 PolarHBondContact O-N 3.19Å; L166-A170 WeakPolarHBondContact O-CB 3.26Å; L166-A170 PolarHBondContact O-N 3.47Å; L166-W201 HydrophobicContact CB-CH2 3.9Å; L166-W201 HydrophobicContact CB-CZ3 3.77Å; L166-F202 HydrophobicContact CB-CZ 4.4Å; L166-F202 HydrophobicContact CD2-CE2 4.25Å; L166-F202 HydrophobicContact CD2-CZ 3.91Å; L166-F202 WeakPolarHBondContact O-CE1 3.39Å
167E82.8Confident83.8Confident93 Ų9330.9 Ų30.944%0.43517%0.165SC..Hα-helixtrans-70.6-45.3179.9-53.7-170.9167.200112.2R35 Y165 V169 A170 D171R35-E167 IonicContact CZ-OE2 2.74Å; R35-E167 IonicContact NE-OE2 3.73Å; R35-E167 PolarHBondContact NE-OE2 3.33Å; R35-E167 VanDerWaalsContact NH2-CB 3.31Å; R35-E167 IonicContact NH2-OE2 2.64Å; R35-E167 PolarHBondContact NH2-OE2 3.09Å; Y165-E167 VanDerWaalsContact C-N 3.28Å; Y165-E167 PolarHBondContact O-N 2.9Å; E167-V169 VanDerWaalsContact C-N 3.29Å; E167-V169 PolarHBondContact O-N 3.27Å; E167-A170 WeakPolarHBondContact O-CB 3.37Å; E167-A170 PolarHBondContact O-N 2.9Å; E167-A170 VanDerWaalsContact O-N 3.11Å; E167-D171 VanDerWaalsContact O-CG 3.28Å; E167-D171 PolarHBondContact O-N 3.15Å
168E83.6Confident84.1Confident63 Ų6331.7 Ų31.729%0.29417%0.172SC..Hα-helixtrans-63.7-36.7175.9-66.9-171-170.400111.5F122 R130 Y165 A170 D171 V172F122-E168 HydrophobicContact CE1-CB 4.22Å; F122-E168 HydrophobicContact CZ-CB 4.42Å; R130-E168 IonicContact CZ-OE2 2.68Å; R130-E168 IonicContact NH1-OE2 2.66Å; R130-E168 PolarHBondContact NH1-OE2 2.88Å; Y165-E168 PolarHBondContact O-N 3.35Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-D171 PolarHBondContact O-N 3Å; E168-V172 WeakPolarHBondContact O-CB 3.45Å; E168-V172 VanDerWaalsContact O-CG2 3.23Å; E168-V172 WeakPolarHBondContact O-CG2 3.44Å; E168-V172 PolarHBondContact O-N 2.9Å
169V86.7Confident84.5Confident0 Ų029.5 Ų29.50%016%0.162CC..Hα-helixtrans-66.3-36.3173.4169.50000111.2F122 T134 L159 F160 Y165 E167 L173 F202F122-V169 HydrophobicContact CE1-CG2 4.33Å; F122-V169 HydrophobicContact CE2-CG2 4.38Å; F122-V169 HydrophobicContact CZ-CG2 4.02Å; T134-V169 HydrophobicContact CG2-CG1 4.48Å; L159-V169 HydrophobicContact CD2-CB 4.34Å; L159-V169 HydrophobicContact CD2-CG1 3.6Å; L159-V169 HydrophobicContact CD2-CG2 3.7Å; L159-V169 HydrophobicContact CG-CG2 3.82Å; F160-V169 HydrophobicContact CD1-CG1 3.7Å; F160-V169 HydrophobicContact CE1-CG1 3.7Å; Y165-V169 WeakPolarHBondContact O-CB 3.35Å; Y165-V169 VanDerWaalsContact O-CG2 3.28Å; Y165-V169 WeakPolarHBondContact O-CG2 3.15Å; Y165-V169 PolarHBondContact O-N 3.36Å; E167-V169 VanDerWaalsContact C-N 3.29Å; E167-V169 PolarHBondContact O-N 3.27Å; V169-L173 WeakPolarHBondContact O-CB 3.48Å; V169-L173 PolarHBondContact O-N 2.84Å; V169-F202 HydrophobicContact CB-CE1 4.37Å; V169-F202 HydrophobicContact CB-CZ 4.49Å; V169-F202 HydrophobicContact CG1-CE1 3.91Å; V169-F202 HydrophobicContact CG1-CZ 3.97Å
170A86.6Confident84.8Confident5 Ų529.5 Ų29.54%0.04116%0.162CC..Hα-helixtrans-68.1-41.3174.200000111.9L166 E167 E168 L173 C174 W201 F202 L205L166-A170 WeakPolarHBondContact O-CB 3.26Å; L166-A170 PolarHBondContact O-N 3.47Å; E167-A170 WeakPolarHBondContact O-CB 3.37Å; E167-A170 PolarHBondContact O-N 2.9Å; E167-A170 VanDerWaalsContact O-N 3.11Å; E168-A170 VanDerWaalsContact C-N 3.34Å; A170-L173 PolarHBondContact O-N 3.09Å; A170-C174 WeakPolarHBondContact O-CB 3.39Å; A170-C174 PolarHBondContact O-N 3.45Å; A170-C174 PolarHBondContact O-SG 3Å; A170-W201 HydrophobicContact CB-CZ3 4.39Å; A170-F202 HydrophobicContact CB-CD1 3.95Å; A170-F202 HydrophobicContact CB-CE1 3.86Å; A170-L205 HydrophobicContact CB-CD1 3.63Å
171D87.3Confident84.7Confident6 Ų632.9 Ų32.93%0.03218%0.184CC..Hα-helixtrans-59.6-50.9174.1-61.6-38.4000110.7R35 P39 I76 E167 E168 L173 C174 I175R35-D171 IonicContact CZ-OD1 2.97Å; R35-D171 IonicContact CZ-OD2 2.69Å; R35-D171 IonicContact NH1-OD1 2.7Å; R35-D171 PolarHBondContact NH1-OD1 2.84Å; R35-D171 IonicContact NH1-OD2 2.75Å; R35-D171 PolarHBondContact NH1-OD2 3.11Å; R35-D171 VanDerWaalsContact NH1-OD2 3.14Å; R35-D171 IonicContact NH2-OD1 3.26Å; R35-D171 IonicContact NH2-OD2 3.81Å; R35-D171 PolarHBondContact NH2-OD2 3.29Å; P39-D171 HydrophobicContact CG-CB 4.11Å; P39-D171 WeakPolarHBondContact CG-OD1 3.43Å; I76-D171 HydrophobicContact CD1-CB 4.39Å; I76-D171 HydrophobicContact CG1-CB 4.17Å; E167-D171 VanDerWaalsContact O-CG 3.28Å; E167-D171 PolarHBondContact O-N 3.15Å; E168-D171 PolarHBondContact O-N 3Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.47Å; D171-C174 PolarHBondContact O-N 3.33Å; D171-I175 WeakPolarHBondContact O-CD1 3.5Å; D171-I175 VanDerWaalsContact O-CG1 3.25Å; D171-I175 WeakPolarHBondContact O-CG1 3.44Å; D171-I175 PolarHBondContact O-N 2.94Å
172V87.4Confident84.8Confident2 Ų234.6 Ų34.61%0.01220%0.201CC..Hα-helixtrans-57.1-43.5176.5166.80000111.4L79 F122 L131 T134 E168 I175 L176L79-V172 HydrophobicContact CD1-CG2 3.69Å; L79-V172 HydrophobicContact CD2-CG2 3.91Å; F122-V172 HydrophobicContact CZ-CG2 4.37Å; L131-V172 HydrophobicContact CD2-CG1 4.21Å; T134-V172 HydrophobicContact CG2-CG1 3.93Å; E168-V172 WeakPolarHBondContact O-CB 3.45Å; E168-V172 VanDerWaalsContact O-CG2 3.23Å; E168-V172 WeakPolarHBondContact O-CG2 3.44Å; E168-V172 PolarHBondContact O-N 2.9Å; V172-I175 PolarHBondContact O-N 2.86Å; V172-L176 HydrophobicContact CG1-CD1 3.84Å; V172-L176 HydrophobicContact CG1-CG 4.44Å; V172-L176 WeakPolarHBondContact O-CB 3.42Å; V172-L176 VanDerWaalsContact O-CG 3.27Å; V172-L176 WeakPolarHBondContact O-CG 3.26Å; V172-L176 PolarHBondContact O-N 2.82Å
173L88.1Confident85Confident2 Ų233.9 Ų33.91%0.0120%0.195CC..Hα-helixtrans-65.3-43.6178.8-178.966.3000112.2L138 V169 A170 D171 L176 Q177 V189 L193 F202 L206L138-L173 HydrophobicContact CD2-CD1 3.81Å; V169-L173 WeakPolarHBondContact O-CB 3.48Å; V169-L173 PolarHBondContact O-N 2.84Å; A170-L173 PolarHBondContact O-N 3.09Å; D171-L173 VanDerWaalsContact C-N 3.32Å; D171-L173 PolarHBondContact O-N 3.47Å; L173-L176 PolarHBondContact O-N 3.16Å; L173-Q177 WeakPolarHBondContact O-CB 3.49Å; L173-Q177 PolarHBondContact O-N 3.48Å; L173-V189 HydrophobicContact CD1-CG1 4.34Å; L173-L193 HydrophobicContact CD2-CD1 4.27Å; L173-L193 HydrophobicContact CD2-CD2 4.3Å; L173-F202 HydrophobicContact CD2-CB 4.28Å; L173-F202 HydrophobicContact CD2-CD1 4.18Å; L173-F202 HydrophobicContact CD2-CG 4.5Å; L173-L206 HydrophobicContact CD2-CD1 4.22Å; L173-L206 HydrophobicContact CG-CD1 4.13Å
174C88Confident85.5Confident10 Ų1028.8 Ų28.87%0.06816%0.162CC..Hα-helixtrans-64.2-41.7177.6-66.80000111.6P39 A170 D171 A178 N209P39-C174 HydrophobicContact CB-CB 3.83Å; P39-C174 HydrophobicContact CG-CB 4.14Å; A170-C174 WeakPolarHBondContact O-CB 3.39Å; A170-C174 PolarHBondContact O-N 3.45Å; A170-C174 PolarHBondContact O-SG 3Å; D171-C174 PolarHBondContact O-N 3.33Å; C174-A178 VanDerWaalsContact O-CB 3.25Å; C174-A178 WeakPolarHBondContact O-CB 3.47Å; C174-A178 PolarHBondContact O-N 3.02Å; C174-N209 HydrophobicContact CB-CB 4.46Å
175I87.1Confident86Confident6 Ų626 Ų263%0.03115%0.146CC..Hα-helixtrans-67.4-45.8177.8-64163000110.8I76 L79 L80 F84 D171 V172 Q177 A178 E179I76-I175 HydrophobicContact CG2-CD1 4Å; L79-I175 HydrophobicContact CB-CD1 3.64Å; L79-I175 HydrophobicContact CD1-CD1 3.8Å; L79-I175 HydrophobicContact CG-CD1 4.36Å; L80-I175 HydrophobicContact CD2-CG1 4.5Å; L80-I175 HydrophobicContact CD2-CG2 3.91Å; F84-I175 HydrophobicContact CE1-CG2 4.05Å; F84-I175 HydrophobicContact CZ-CG2 3.74Å; D171-I175 WeakPolarHBondContact O-CD1 3.5Å; D171-I175 VanDerWaalsContact O-CG1 3.25Å; D171-I175 WeakPolarHBondContact O-CG1 3.44Å; D171-I175 PolarHBondContact O-N 2.94Å; V172-I175 PolarHBondContact O-N 2.86Å; I175-Q177 VanDerWaalsContact C-N 3.34Å; I175-Q177 PolarHBondContact O-N 3.21Å; I175-A178 PolarHBondContact O-N 3.5Å; I175-E179 HydrophobicContact CG2-CG 4.18Å; I175-E179 WeakPolarHBondContact O-CG 3.33Å; I175-E179 PolarHBondContact O-N 3.08Å
176L88.1Confident86.3Confident0 Ų024.6 Ų24.60%014%0.141CC..Hα-helixtrans-57.6-45.2176.5-78.9170.1000112.1L87 L131 T134 L135 V172 L173 L180 L184L87-L176 HydrophobicContact CD2-CD2 4.1Å; L131-L176 HydrophobicContact CB-CD2 4.34Å; L131-L176 HydrophobicContact CD2-CD1 4.34Å; L131-L176 HydrophobicContact CD2-CD2 3.64Å; L131-L176 HydrophobicContact CD2-CG 3.66Å; T134-L176 HydrophobicContact CG2-CD1 4.35Å; L135-L176 HydrophobicContact CB-CD1 4.12Å; L135-L176 HydrophobicContact CB-CD2 4.42Å; L135-L176 HydrophobicContact CD2-CD2 4.28Å; V172-L176 HydrophobicContact CG1-CD1 3.84Å; V172-L176 HydrophobicContact CG1-CG 4.44Å; V172-L176 WeakPolarHBondContact O-CB 3.42Å; V172-L176 VanDerWaalsContact O-CG 3.27Å; V172-L176 WeakPolarHBondContact O-CG 3.26Å; V172-L176 PolarHBondContact O-N 2.82Å; L173-L176 PolarHBondContact O-N 3.16Å; L176-L180 HydrophobicContact CD2-CD1 4.02Å; L176-L180 WeakPolarHBondContact O-CA 3.29Å; L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3.5Å; L176-L180 PolarHBondContact O-N 2.99Å; L176-L184 HydrophobicContact CB-CD1 3.9Å
177Q88.3Confident86.5Confident15 Ų1525.4 Ų25.47%0.0715%0.146CC..Hα-helixtrans-65.1-42.5178.3-170.9-73.5-44.900111.5L173 I175 I186 L206L173-Q177 WeakPolarHBondContact O-CB 3.49Å; L173-Q177 PolarHBondContact O-N 3.48Å; I175-Q177 VanDerWaalsContact C-N 3.34Å; I175-Q177 PolarHBondContact O-N 3.21Å; Q177-I186 HydrophobicContact CG-CD1 4.32Å; Q177-I186 HydrophobicContact CG-CG1 4.46Å; Q177-L206 HydrophobicContact CB-CD1 4.47Å; Q177-L206 HydrophobicContact CG-CD1 4.39Å
178A85.4Confident86.8Confident20 Ų2024.9 Ų24.917%0.16515%0.146CC..Hα-helixtrans-76-28.8-174.300000114.1R43 C174 I175R43-A178 VanDerWaalsContact CZ-O 3.3Å; R43-A178 VanDerWaalsContact NH1-C 3.31Å; R43-A178 PolarHBondContact NH1-O 3.32Å; R43-A178 PolarHBondContact NH2-O 3.03Å; C174-A178 VanDerWaalsContact O-CB 3.25Å; C174-A178 WeakPolarHBondContact O-CB 3.47Å; C174-A178 PolarHBondContact O-N 3.02Å; I175-A178 PolarHBondContact O-N 3.5Å
179E86.4Confident87.1Confident60 Ų6021.9 Ų21.928%0.2813%0.132SC..Hα-helixtrans-94-26.2176.6-58-60.7164.700113.4R43 L80 F84 I175 P181R43-E179 IonicContact CZ-OE1 3.7Å; R43-E179 IonicContact NH1-OE1 3.68Å; R43-E179 PolarHBondContact NH1-OE1 3.48Å; R43-E179 IonicContact NH1-OE2 2.8Å; R43-E179 PolarHBondContact NH1-OE2 2.82Å; L80-E179 HydrophobicContact CD2-CG 4.46Å; L80-E179 WeakPolarHBondContact CD2-OE1 3.35Å; F84-E179 HydrophobicContact CB-CB 4.42Å; F84-E179 HydrophobicContact CD1-CB 3.6Å; F84-E179 HydrophobicContact CD1-CG 4.08Å; F84-E179 HydrophobicContact CD2-CB 4.18Å; F84-E179 HydrophobicContact CD2-CG 4.07Å; F84-E179 HydrophobicContact CE1-CB 3.84Å; F84-E179 HydrophobicContact CE1-CG 3.88Å; F84-E179 HydrophobicContact CE2-CB 4.4Å; F84-E179 HydrophobicContact CE2-CG 3.88Å; F84-E179 HydrophobicContact CG-CB 3.79Å; F84-E179 HydrophobicContact CG-CG 4.18Å; F84-E179 HydrophobicContact CZ-CB 4.24Å; F84-E179 HydrophobicContact CZ-CG 3.78Å; I175-E179 HydrophobicContact CG2-CG 4.18Å; I175-E179 WeakPolarHBondContact O-CG 3.33Å; I175-E179 PolarHBondContact O-N 3.08Å; E179-P181 WeakPolarHBondContact O-CD 3.48Å
180L86.8Confident87.2Confident3 Ų322 Ų222%0.01613%0.133CC..  trans-11845.3-179.2-51.7179.8000114.4F84 L87 E88 L135 L176 S182 L183 L184F84-L180 HydrophobicContact CB-CD2 4.07Å; F84-L180 HydrophobicContact CD1-CD2 4.38Å; F84-L180 HydrophobicContact CD1-CG 4.41Å; L87-L180 HydrophobicContact CD2-CD1 4.24Å; L87-L180 HydrophobicContact CG-CD1 4.33Å; E88-L180 HydrophobicContact CB-CD2 3.81Å; E88-L180 HydrophobicContact CG-CD2 4.07Å; L135-L180 HydrophobicContact CD2-CD1 4.32Å; L176-L180 HydrophobicContact CD2-CD1 4.02Å; L176-L180 WeakPolarHBondContact O-CA 3.29Å; L176-L180 VanDerWaalsContact O-CB 3.28Å; L176-L180 WeakPolarHBondContact O-CB 3.5Å; L176-L180 PolarHBondContact O-N 2.99Å; L180-S182 PolarHBondContact O-N 3.07Å; L180-S182 VanDerWaalsContact O-N 3.11Å; L180-L183 HydrophobicContact CB-CB 4.27Å; L180-L183 HydrophobicContact CD1-CD2 4.13Å; L180-L183 PolarHBondContact O-N 3.12Å; L180-L184 PolarHBondContact O-N 3.28Å
181P82.4Confident87.3Confident71 Ų7122.5 Ų22.546%0.46114%0.135SC..THydrogen-bonded Turntrans-64.1-22.3-174.328.8-37000113.7E179 L183E179-P181 WeakPolarHBondContact O-CD 3.48Å; P181-L183 VanDerWaalsContact C-N 3.29Å
182S84.3Confident87.3Confident80 Ų8022.3 Ų22.356%0.55913%0.134SC*.THydrogen-bonded Turntrans-73.5-13.7173.733.30000114.7E88 L180E88-S182 WeakPolarHBondContact OE1-CB 3.27Å; E88-S182 PolarHBondContact OE1-OG 2.99Å; L180-S182 PolarHBondContact O-N 3.07Å; L180-S182 VanDerWaalsContact O-N 3.11Å
183L85.6Confident87.4Confident8 Ų822.3 Ų22.34%0.04213%0.134CC..THydrogen-bonded Turntrans-112.2-32176.3178.772.9000111.3A91 R92 L135 L180 P181 P185A91-L183 HydrophobicContact CB-CD1 4.5Å; A91-L183 HydrophobicContact CB-CD2 3.47Å; A91-L183 VanDerWaalsContact CB-CD2 3.47Å; R92-L183 HydrophobicContact CG-CD1 4.14Å; L135-L183 HydrophobicContact CD1-CD2 4.2Å; L135-L183 HydrophobicContact CD2-CD2 4.36Å; L180-L183 HydrophobicContact CB-CB 4.27Å; L180-L183 HydrophobicContact CD1-CD2 4.13Å; L180-L183 PolarHBondContact O-N 3.12Å; P181-L183 VanDerWaalsContact C-N 3.29Å; L183-P185 VanDerWaalsContact C-CD 3.48Å; L183-P185 WeakPolarHBondContact O-CD 3.48Å
184L86.8Confident87.3Confident1 Ų122.3 Ų22.31%0.00513%0.134CC..SBendtrans-120.175.2-177.9-62.5-179.7000111.1L135 L138 L139 M142 L176 L180 I186 V189L135-L184 HydrophobicContact CD1-CD1 3.93Å; L135-L184 HydrophobicContact CD1-CD2 4.1Å; L135-L184 HydrophobicContact CD1-CG 4.32Å; L138-L184 HydrophobicContact CD2-CD1 4.12Å; L138-L184 HydrophobicContact CD2-CD2 3.87Å; L139-L184 HydrophobicContact CD2-CD2 4.38Å; M142-L184 HydrophobicContact CE-CD2 4.3Å; M142-L184 HydrophobicContact SD-CD2 3.84Å; L176-L184 HydrophobicContact CB-CD1 3.9Å; L180-L184 PolarHBondContact O-N 3.28Å; L184-I186 PolarHBondContact O-N 2.95Å; L184-V189 HydrophobicContact CB-CG2 3.86Å; L184-V189 HydrophobicContact CD2-CG2 4.28Å
185P88.5Confident87.3Confident54 Ų5422.3 Ų22.335%0.35113%0.133SC..  trans-57.9132.1172-21.733.6000110.5L183 V187 D188 V189L183-P185 VanDerWaalsContact C-CD 3.48Å; L183-P185 WeakPolarHBondContact O-CD 3.48Å; P185-V187 PolarHBondContact O-N 2.89Å; P185-D188 HydrophobicContact CB-CB 4.38Å; P185-D188 WeakPolarHBondContact CB-OD2 3.5Å; P185-D188 WeakPolarHBondContact CG-OD2 3.49Å; P185-D188 PolarHBondContact O-N 3.45Å; P185-V189 PolarHBondContact O-N 3.28Å
186I88.1Confident87.3Confident11 Ų1122 Ų226%0.05613%0.131CC..Hα-helixtrans-63.9-30.3-167-164.7150.6000113.5Q177 L184 A190 L206 V210 S213 E216 V217Q177-I186 HydrophobicContact CG-CD1 4.32Å; Q177-I186 HydrophobicContact CG-CG1 4.46Å; L184-I186 PolarHBondContact O-N 2.95Å; I186-A190 WeakPolarHBondContact O-CB 3.34Å; I186-A190 PolarHBondContact O-N 3.46Å; I186-L206 HydrophobicContact CD1-CD2 3.5Å; I186-L206 HydrophobicContact CG1-CD2 3.62Å; I186-V210 HydrophobicContact CD1-CB 4.47Å; I186-S213 WeakPolarHBondContact CD1-OG 3.5Å; I186-E216 HydrophobicContact CG2-CG 4.5Å; I186-V217 HydrophobicContact CB-CG2 4.48Å; I186-V217 HydrophobicContact CD1-CG2 4.42Å; I186-V217 HydrophobicContact CG1-CG2 3.75Å; I186-V217 HydrophobicContact CG2-CG2 4.12Å
187V89.2Confident87.1Confident23 Ų2328.6 Ų28.614%0.13916%0.156CC..Hα-helixtrans-68.3-43173.81780000111.8P185 V189 A190 E191 E216P185-V187 PolarHBondContact O-N 2.89Å; V187-V189 VanDerWaalsContact C-N 3.35Å; V187-A190 PolarHBondContact O-N 3.27Å; V187-E191 PolarHBondContact O-N 2.96Å; V187-E216 HydrophobicContact CG2-CG 3.81Å
188D88.3Confident87Confident82 Ų8229.7 Ų29.744%0.43916%0.163SC..Hα-helixtrans-72.2-32.6-177.7-60.2-29.6000111.2M142 P185 A192M142-D188 HydrophobicContact CE-CB 3.77Å; P185-D188 HydrophobicContact CB-CB 4.38Å; P185-D188 WeakPolarHBondContact CB-OD2 3.5Å; P185-D188 WeakPolarHBondContact CG-OD2 3.49Å; P185-D188 PolarHBondContact O-N 3.45Å; D188-A192 WeakPolarHBondContact O-CB 3.44Å; D188-A192 PolarHBondContact O-N 2.9Å
189V89.6Confident87Confident0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-65.5-44.4169.5176.80000111L138 M142 L173 L184 P185 V187 A192 L193 L206L138-V189 HydrophobicContact CD1-CG1 4.5Å; L138-V189 HydrophobicContact CD2-CG1 4.47Å; L138-V189 HydrophobicContact CD2-CG2 4.4Å; M142-V189 HydrophobicContact CE-CG2 4.43Å; L173-V189 HydrophobicContact CD1-CG1 4.34Å; L184-V189 HydrophobicContact CB-CG2 3.86Å; L184-V189 HydrophobicContact CD2-CG2 4.28Å; P185-V189 PolarHBondContact O-N 3.28Å; V187-V189 VanDerWaalsContact C-N 3.35Å; V189-A192 PolarHBondContact O-N 3.5Å; V189-L193 HydrophobicContact CG1-CD1 4.1Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.42Å; V189-L206 HydrophobicContact CG1-CD1 3.88Å
190A88.9Confident87Confident3 Ų327.6 Ų27.63%0.02515%0.15CC..Hα-helixtrans-62.4-43.6176.600000112.2I186 V187 A192 L193 L194 M203 V217 L221I186-A190 WeakPolarHBondContact O-CB 3.34Å; I186-A190 PolarHBondContact O-N 3.46Å; V187-A190 PolarHBondContact O-N 3.27Å; A190-A192 PolarHBondContact O-N 3.36Å; A190-L193 PolarHBondContact O-N 2.77Å; A190-L194 PolarHBondContact O-N 3.14Å; A190-M203 HydrophobicContact CB-CG 4.29Å; A190-M203 HydrophobicContact CB-SD 3.78Å; A190-V217 HydrophobicContact CB-CG1 3.8Å; A190-L221 HydrophobicContact CB-CD2 4.29Å
191E88.1Confident87.1Confident16 Ų1627.9 Ų27.98%0.07515%0.151CC..Hα-helixtrans-62.7-42175.5-156.174-136.300111.1V187 L193 L194 H195 N224 R238V187-E191 PolarHBondContact O-N 2.96Å; E191-L193 PolarHBondContact O-N 3.24Å; E191-L194 WeakPolarHBondContact O-CB 3.4Å; E191-L194 PolarHBondContact O-N 3.18Å; E191-L194 WeakPolarHBondContact OE1-CD1 3.35Å; E191-H195 PolarHBondContact O-CD2 3.48Å; E191-H195 VanDerWaalsContact O-CD2 3.28Å; E191-N224 WeakPolarHBondContact OE2-CB 3.39Å; E191-N224 PolarHBondContact OE2-ND2 2.99Å; E191-R238 IonicContact OE1-CZ 2.99Å; E191-R238 IonicContact OE1-NE 3.8Å; E191-R238 PolarHBondContact OE1-NE 3.01Å; E191-R238 IonicContact OE1-NH2 3.47Å; E191-R238 PolarHBondContact OE1-NH2 3.44Å
192A88Confident87.4Confident1 Ų124.5 Ų24.51%0.00813%0.13CC..Hα-helixtrans-61.1-39.7174.900000113.1L138 I141 M142 D188 V189 A190 L194 H195L138-A192 HydrophobicContact CD1-CB 4.29Å; I141-A192 HydrophobicContact CB-CB 4.45Å; I141-A192 HydrophobicContact CG2-CB 3.79Å; I141-A192 WeakPolarHBondContact CG2-O 3.37Å; M142-A192 HydrophobicContact CG-CB 3.73Å; D188-A192 WeakPolarHBondContact O-CB 3.44Å; D188-A192 PolarHBondContact O-N 2.9Å; V189-A192 PolarHBondContact O-N 3.5Å; A190-A192 PolarHBondContact O-N 3.36Å; A192-L194 VanDerWaalsContact C-N 3.28Å; A192-L194 PolarHBondContact O-N 3.01Å; A192-H195 WeakPolarHBondContact O-CB 3.37Å; A192-H195 PolarHBondContact O-N 2.8Å; A192-H195 VanDerWaalsContact O-N 3.13Å
193L88.9Confident87.7Confident2 Ų220.9 Ų20.91%0.0110%0.104CC..Hα-helixtrans-64.1-28.8178.9-73.1168.5000112.8L173 V189 A190 E191 H195 V196 G199 F202 M203L173-L193 HydrophobicContact CD2-CD1 4.27Å; L173-L193 HydrophobicContact CD2-CD2 4.3Å; V189-L193 HydrophobicContact CG1-CD1 4.1Å; V189-L193 VanDerWaalsContact O-CG 3.31Å; V189-L193 WeakPolarHBondContact O-CG 3.49Å; V189-L193 PolarHBondContact O-N 3.42Å; A190-L193 PolarHBondContact O-N 2.77Å; E191-L193 PolarHBondContact O-N 3.24Å; L193-H195 PolarHBondContact O-N 2.99Å; L193-V196 PolarHBondContact O-N 2.94Å; L193-G199 WeakPolarHBondContact O-CA 3.19Å; L193-F202 HydrophobicContact CD1-CB 4.19Å; L193-F202 HydrophobicContact CD2-CB 3.96Å; L193-M203 HydrophobicContact CB-CE 4.48Å; L193-M203 HydrophobicContact CB-CG 3.84Å; L193-M203 HydrophobicContact CB-SD 4.27Å; L193-M203 HydrophobicContact CD1-CG 3.55Å; L193-M203 HydrophobicContact CG-CG 4.35Å
194L87.1Confident87.8Confident2 Ų220.6 Ų20.61%0.0110%0.103CC..THydrogen-bonded Turntrans-56.9-22.1173.3-68.7175.8000113.7F152 A190 E191 A192 V196 M203 L221 R237 R238 A241F152-L194 HydrophobicContact CE2-CB 4.39Å; F152-L194 WeakPolarHBondContact CZ-O 3.46Å; A190-L194 PolarHBondContact O-N 3.14Å; E191-L194 WeakPolarHBondContact O-CB 3.4Å; E191-L194 PolarHBondContact O-N 3.18Å; E191-L194 WeakPolarHBondContact OE1-CD1 3.35Å; A192-L194 VanDerWaalsContact C-N 3.28Å; A192-L194 PolarHBondContact O-N 3.01Å; L194-V196 VanDerWaalsContact C-N 3.35Å; L194-M203 HydrophobicContact CD2-CE 3.74Å; L194-M203 HydrophobicContact CG-CE 4.28Å; L194-L221 HydrophobicContact CD1-CD2 3.9Å; L194-L221 HydrophobicContact CG-CD2 4.39Å; L194-R237 PolarHBondContact O-NH1 2.79Å; L194-R238 HydrophobicContact CD1-CB 3.95Å; L194-R238 HydrophobicContact CD1-CG 3.96Å; L194-R238 HydrophobicContact CD2-CB 4.18Å; L194-A241 HydrophobicContact CD2-CB 4.03Å
195H87.5Confident87.9Confident10 Ų1020.9 Ų20.95%0.04610%0.104CC..THydrogen-bonded Turntrans-87.22179.4-63.3-85.4000114I141 V145 F152 F153 K155 E191 A192 L193I141-H195 HydrophobicContact CG2-CB 4.29Å; V145-H195 WeakPolarHBondContact CG2-CD2 3.41Å; V145-H195 WeakPolarHBondContact CG2-NE2 3.47Å; F152-H195 AromaticContact CD2-CE1 3.34Å; F152-H195 WeakPolarHBondContact CD2-CE1 3.49Å; F152-H195 AromaticContact CD2-ND1 3.68Å; F152-H195 AromaticContact CE2-CE1 3.57Å; F152-H195 AromaticContact CE2-ND1 3.52Å; F153-H195 AromaticContact CD1-ND1 3.93Å; F153-H195 HydrophobicContact CD2-CB 4.35Å; F153-H195 AromaticContact CD2-ND1 4Å; F153-H195 AromaticContact CE1-ND1 3.85Å; F153-H195 HydrophobicContact CE2-CB 3.86Å; F153-H195 AromaticContact CE2-ND1 3.92Å; F153-H195 AromaticContact CG-ND1 4Å; F153-H195 HydrophobicContact CZ-CB 4.26Å; F153-H195 AromaticContact CZ-CG 3.97Å; F153-H195 AromaticContact CZ-ND1 3.83Å; F153-H195 PolarHBondContact O-ND1 2.96Å; K155-H195 PolarHBondContact N-O 2.98Å; E191-H195 PolarHBondContact O-CD2 3.48Å; E191-H195 VanDerWaalsContact O-CD2 3.28Å; A192-H195 WeakPolarHBondContact O-CB 3.37Å; A192-H195 PolarHBondContact O-N 2.8Å; A192-H195 VanDerWaalsContact O-N 3.13Å; L193-H195 PolarHBondContact O-N 2.99Å
196V87.3Confident87.9Confident0 Ų018.5 Ų18.50%09%0.088CC..SBendtrans-122.4138-174.3-178.10000111.2I141 F160 L193 L194 N198 G199 R237I141-V196 HydrophobicContact CD1-CG2 3.63Å; F160-V196 HydrophobicContact CB-CG1 3.42Å; F160-V196 VanDerWaalsContact CB-CG1 3.42Å; F160-V196 HydrophobicContact CG-CG1 4.06Å; L193-V196 PolarHBondContact O-N 2.94Å; L194-V196 VanDerWaalsContact C-N 3.35Å; V196-N198 PolarHBondContact O-N 3.2Å; V196-G199 PolarHBondContact O-N 3.35Å; V196-R237 VanDerWaalsContact O-CZ 3.28Å; V196-R237 PolarHBondContact O-NH1 3.31Å; V196-R237 PolarHBondContact O-NH2 3.31Å
197R83.8Confident87.9Confident138 Ų13818 Ų1852%0.5219%0.086SC..THydrogen-bonded Turntrans-54.6-40.5-168.1-75.1-170.9-170.4142.412.1115.7L154 E161 R237L154-R197 HydrophobicContact CD1-CG 4.43Å; L154-R197 HydrophobicContact CD2-CG 4.15Å; E161-R197 HydrophobicContact CG-CB 4.21Å; E161-R197 WeakPolarHBondContact OE1-CD 3.29Å; E161-R197 VanDerWaalsContact OE1-CG 3.29Å; E161-R197 WeakPolarHBondContact OE1-CG 3.3Å; E161-R197 IonicContact OE1-CZ 3.56Å; E161-R197 IonicContact OE1-NE 2.66Å; E161-R197 IonicContact OE1-NH1 3.7Å; E161-R197 IonicContact OE2-CZ 2.65Å; E161-R197 VanDerWaalsContact OE2-CZ 3.24Å; E161-R197 IonicContact OE2-NE 3.87Å; E161-R197 IonicContact OE2-NH1 3.72Å; E161-R197 PolarHBondContact OE2-NH1 3.36Å; E161-R197 IonicContact OE2-NH2 3.73Å; R197-R237 PolarHBondContact O-NH2 3.17Å
198N85.8Confident87.9Confident38 Ų3817 Ų1720%0.2038%0.079CC..THydrogen-bonded Turntrans-9711.3-180-58.7-26.8000113L7 F160 V196 D200 W201 F202L7-N198 HydrophobicContact CD1-CB 4.33Å; F160-N198 PolarHBondContact O-ND2 3.43Å; V196-N198 PolarHBondContact O-N 3.2Å; N198-D200 VanDerWaalsContact C-N 3.3Å; N198-D200 PolarHBondContact O-N 3.47Å; N198-W201 WeakPolarHBondContact O-CB 3.38Å; N198-W201 PolarHBondContact O-N 2.89Å; N198-W201 VanDerWaalsContact O-N 3.1Å; N198-F202 HydrophobicContact CB-CD2 4.09Å; N198-F202 HydrophobicContact CB-CE2 3.92Å; N198-F202 WeakPolarHBondContact O-CD2 3.48Å; N198-F202 PolarHBondContact O-N 3.42Å; N198-F202 VanDerWaalsContact O-N 3.15Å
199G85.6Confident87.8Confident0 Ų013.3 Ų13.30%06%0.06CC..Hα-helixtrans-62.6-27.7-169.300000115.8L193 V196 F202 M203L193-G199 WeakPolarHBondContact O-CA 3.19Å; V196-G199 PolarHBondContact O-N 3.35Å; G199-F202 PolarHBondContact O-N 3.09Å; G199-M203 WeakPolarHBondContact O-CB 3.4Å; G199-M203 WeakPolarHBondContact O-CE 3.25Å; G199-M203 WeakPolarHBondContact O-CG 3.44Å; G199-M203 PolarHBondContact O-N 3.36Å
200D86.4Confident87.7Confident36 Ų3615.4 Ų15.419%0.1937%0.072CC..Hα-helixtrans-66-38.7173.145-58.7000112.6N198 C204 R237 A241N198-D200 VanDerWaalsContact C-N 3.3Å; N198-D200 PolarHBondContact O-N 3.47Å; D200-C204 PolarHBondContact O-N 3.25Å; D200-C204 VanDerWaalsContact O-N 3.13Å; D200-C204 PolarHBondContact O-SG 3.09Å; D200-R237 IonicContact OD1-NH2 2.66Å; D200-R237 PolarHBondContact OD1-NH2 2.98Å; D200-A241 HydrophobicContact CB-CB 4.13Å
201W89.5Confident87.5Confident9 Ų916 Ų163%0.0348%0.076CC..Hα-helixtrans-67.1-47.8170.817979.5000111.6L7 Q8 F9 L166 A170 N198 M203 C204 L205L7-W201 HydrophobicContact CB-CD2 4.39Å; L7-W201 HydrophobicContact CB-CG 4.12Å; L7-W201 HydrophobicContact CD1-CB 4.09Å; L7-W201 HydrophobicContact CD1-CD2 4.02Å; L7-W201 HydrophobicContact CD1-CE3 4.4Å; L7-W201 HydrophobicContact CD1-CG 3.91Å; Q8-W201 PolarHBondContact O-NE1 3.46Å; F9-W201 HydrophobicContact CE1-CB 4Å; F9-W201 HydrophobicContact CE1-CG 4.47Å; F9-W201 HydrophobicContact CZ-CB 3.91Å; F9-W201 HydrophobicContact CZ-CG 4.4Å; L166-W201 HydrophobicContact CB-CH2 3.9Å; L166-W201 HydrophobicContact CB-CZ3 3.77Å; A170-W201 HydrophobicContact CB-CZ3 4.39Å; N198-W201 WeakPolarHBondContact O-CB 3.38Å; N198-W201 PolarHBondContact O-N 2.89Å; N198-W201 VanDerWaalsContact O-N 3.1Å; W201-M203 VanDerWaalsContact C-N 3.32Å; W201-M203 PolarHBondContact O-N 3.1Å; W201-C204 PolarHBondContact O-N 2.84Å; W201-C204 VanDerWaalsContact O-N 3.11Å; W201-L205 HydrophobicContact CD2-CD1 3.93Å; W201-L205 HydrophobicContact CD2-CG 4.42Å; W201-L205 HydrophobicContact CE3-CD1 3.91Å; W201-L205 HydrophobicContact CH2-CD1 3.56Å; W201-L205 HydrophobicContact CZ2-CD1 3.57Å; W201-L205 HydrophobicContact CZ3-CD1 3.71Å; W201-L205 PolarHBondContact O-N 3.45Å
202F88.8Confident87.5Confident1 Ų122.2 Ų22.20%0.00411%0.11CC..Hα-helixtrans-58.6-39.5176-76.6-69.4000112.9F160 L166 V169 A170 L173 L193 N198 G199 L205 L206F160-F202 HydrophobicContact CB-CE2 4.12Å; F160-F202 HydrophobicContact CD1-CD2 4.23Å; F160-F202 HydrophobicContact CD1-CE1 4.39Å; F160-F202 AromaticContact CD1-CE2 3.78Å; F160-F202 HydrophobicContact CD1-CE2 3.78Å; F160-F202 AromaticContact CD1-CZ 3.87Å; F160-F202 HydrophobicContact CD1-CZ 3.87Å; F160-F202 HydrophobicContact CG-CE2 4.46Å; L166-F202 HydrophobicContact CB-CZ 4.4Å; L166-F202 HydrophobicContact CD2-CE2 4.25Å; L166-F202 HydrophobicContact CD2-CZ 3.91Å; L166-F202 WeakPolarHBondContact O-CE1 3.39Å; V169-F202 HydrophobicContact CB-CE1 4.37Å; V169-F202 HydrophobicContact CB-CZ 4.49Å; V169-F202 HydrophobicContact CG1-CE1 3.91Å; V169-F202 HydrophobicContact CG1-CZ 3.97Å; A170-F202 HydrophobicContact CB-CD1 3.95Å; A170-F202 HydrophobicContact CB-CE1 3.86Å; L173-F202 HydrophobicContact CD2-CB 4.28Å; L173-F202 HydrophobicContact CD2-CD1 4.18Å; L173-F202 HydrophobicContact CD2-CG 4.5Å; L193-F202 HydrophobicContact CD1-CB 4.19Å; L193-F202 HydrophobicContact CD2-CB 3.96Å; N198-F202 HydrophobicContact CB-CD2 4.09Å; N198-F202 HydrophobicContact CB-CE2 3.92Å; N198-F202 WeakPolarHBondContact O-CD2 3.48Å; N198-F202 PolarHBondContact O-N 3.42Å; N198-F202 VanDerWaalsContact O-N 3.15Å; G199-F202 PolarHBondContact O-N 3.09Å; F202-L205 PolarHBondContact O-N 2.89Å; F202-L206 VanDerWaalsContact O-CB 3.26Å; F202-L206 WeakPolarHBondContact O-CB 3.47Å; F202-L206 PolarHBondContact O-N 3.16Å
203M89.1Confident87.5Confident3 Ų322.4 Ų22.42%0.01511%0.111CC..Hα-helixtrans-64.7-40.6174.3-79.3-173.7-70.300112.4A190 L193 L194 G199 W201 L206 V207 L221 A241A190-M203 HydrophobicContact CB-CG 4.29Å; A190-M203 HydrophobicContact CB-SD 3.78Å; L193-M203 HydrophobicContact CB-CE 4.48Å; L193-M203 HydrophobicContact CB-CG 3.84Å; L193-M203 HydrophobicContact CB-SD 4.27Å; L193-M203 HydrophobicContact CD1-CG 3.55Å; L193-M203 HydrophobicContact CG-CG 4.35Å; L194-M203 HydrophobicContact CD2-CE 3.74Å; L194-M203 HydrophobicContact CG-CE 4.28Å; G199-M203 WeakPolarHBondContact O-CB 3.4Å; G199-M203 WeakPolarHBondContact O-CE 3.25Å; G199-M203 WeakPolarHBondContact O-CG 3.44Å; G199-M203 PolarHBondContact O-N 3.36Å; W201-M203 VanDerWaalsContact C-N 3.32Å; W201-M203 PolarHBondContact O-N 3.1Å; M203-L206 PolarHBondContact O-N 3.12Å; M203-V207 WeakPolarHBondContact O-CB 3.32Å; M203-V207 VanDerWaalsContact O-CG2 3.32Å; M203-V207 WeakPolarHBondContact O-CG2 3.4Å; M203-V207 PolarHBondContact O-N 2.86Å; M203-L221 HydrophobicContact SD-CD1 4.29Å; M203-A241 HydrophobicContact CE-CB 3.54Å
204C89.3Confident87.6Confident3 Ų322.6 Ų22.62%0.0211%0.112CC..Hα-helixtrans-62.4-43.5176-66.40000111.4F9 D200 W201 A208 M248F9-C204 HydrophobicContact CD1-CB 4.25Å; D200-C204 PolarHBondContact O-N 3.25Å; D200-C204 VanDerWaalsContact O-N 3.13Å; D200-C204 PolarHBondContact O-SG 3.09Å; W201-C204 PolarHBondContact O-N 2.84Å; W201-C204 VanDerWaalsContact O-N 3.11Å; C204-A208 WeakPolarHBondContact O-CB 3.31Å; C204-A208 PolarHBondContact O-N 2.89Å; C204-M248 HydrophobicContact CB-SD 4.24Å
205L88.4Confident87.7Confident6 Ų625.8 Ų25.83%0.03114%0.135CC..Hα-helixtrans-63.9-44.5176-64.7-176.9000112.9V10 L36 A170 W201 F202 A208 N209V10-L205 HydrophobicContact CG2-CD2 3.85Å; L36-L205 HydrophobicContact CB-CD2 3.74Å; L36-L205 HydrophobicContact CD1-CD2 4.06Å; L36-L205 HydrophobicContact CD2-CD2 3.85Å; L36-L205 HydrophobicContact CG-CD2 4.06Å; A170-L205 HydrophobicContact CB-CD1 3.63Å; W201-L205 HydrophobicContact CD2-CD1 3.93Å; W201-L205 HydrophobicContact CD2-CG 4.42Å; W201-L205 HydrophobicContact CE3-CD1 3.91Å; W201-L205 HydrophobicContact CH2-CD1 3.56Å; W201-L205 HydrophobicContact CZ2-CD1 3.57Å; W201-L205 HydrophobicContact CZ3-CD1 3.71Å; W201-L205 PolarHBondContact O-N 3.45Å; F202-L205 PolarHBondContact O-N 2.89Å; L205-A208 PolarHBondContact O-N 3.25Å; L205-N209 WeakPolarHBondContact O-CB 3.18Å; L205-N209 PolarHBondContact O-N 3.33Å; L205-N209 PolarHBondContact O-ND2 3.16Å
206L87.8Confident87.8Confident5 Ų531 Ų313%0.02616%0.159CC..Hα-helixtrans-63.5-43.9-179.9-176.5154.1000111.1L173 Q177 I186 V189 F202 M203 N209 V210L173-L206 HydrophobicContact CD2-CD1 4.22Å; L173-L206 HydrophobicContact CG-CD1 4.13Å; Q177-L206 HydrophobicContact CB-CD1 4.47Å; Q177-L206 HydrophobicContact CG-CD1 4.39Å; I186-L206 HydrophobicContact CD1-CD2 3.5Å; I186-L206 HydrophobicContact CG1-CD2 3.62Å; V189-L206 HydrophobicContact CG1-CD1 3.88Å; F202-L206 VanDerWaalsContact O-CB 3.26Å; F202-L206 WeakPolarHBondContact O-CB 3.47Å; F202-L206 PolarHBondContact O-N 3.16Å; M203-L206 PolarHBondContact O-N 3.12Å; L206-N209 PolarHBondContact O-N 3.17Å; L206-V210 PolarHBondContact O-N 3.2Å
207V89.1Confident88Confident1 Ų131 Ų311%0.00616%0.159CC..Hα-helixtrans-71.1-33.1175.81750000111.8F15 M203 V210 P211 F214 V217 L245 M248F15-V207 HydrophobicContact CE2-CG1 4.22Å; M203-V207 WeakPolarHBondContact O-CB 3.32Å; M203-V207 VanDerWaalsContact O-CG2 3.32Å; M203-V207 WeakPolarHBondContact O-CG2 3.4Å; M203-V207 PolarHBondContact O-N 2.86Å; V207-V210 CarbonylContact O-C 3.58Å; V207-V210 PolarHBondContact O-N 3.02Å; V207-V210 VanDerWaalsContact O-O 3.14Å; V207-P211 VanDerWaalsContact O-CA 3.32Å; V207-P211 WeakPolarHBondContact O-CA 3.46Å; V207-F214 HydrophobicContact CG1-CB 3.82Å; V207-F214 HydrophobicContact CG1-CD2 3.72Å; V207-F214 HydrophobicContact CG1-CG 4.24Å; V207-V217 HydrophobicContact CG2-CB 4.24Å; V207-V217 HydrophobicContact CG2-CG1 4.12Å; V207-V217 HydrophobicContact CG2-CG2 4.09Å; V207-L245 HydrophobicContact CB-CD2 4.05Å; V207-L245 HydrophobicContact CG1-CD2 4.23Å; V207-L245 HydrophobicContact CG2-CD2 4.15Å; V207-M248 HydrophobicContact CB-CE 4.19Å; V207-M248 HydrophobicContact CG1-CE 3.92Å
208A87.8Confident88.4Confident0 Ų024.4 Ų24.40%013%0.134CC..Hα-helixtrans-67.9-32.8173.300000113.3V10 F15 L37 C204 L205 M248V10-A208 HydrophobicContact CB-CB 4.31Å; V10-A208 HydrophobicContact CG1-CB 4.1Å; V10-A208 HydrophobicContact CG2-CB 3.82Å; F15-A208 HydrophobicContact CD2-CB 4.1Å; L37-A208 HydrophobicContact CD2-CB 3.8Å; C204-A208 WeakPolarHBondContact O-CB 3.31Å; C204-A208 PolarHBondContact O-N 2.89Å; L205-A208 PolarHBondContact O-N 3.25Å; A208-M248 HydrophobicContact CB-SD 4.02Å
209N87.8Confident88.6Confident6 Ų629.1 Ų29.13%0.03215%0.149CC..Hα-helixtrans-80.1-16.7173.5-79.6-88.7000113L36 L37 P39 C40 C174 L205 L206L36-N209 PolarHBondContact O-ND2 3.5Å; L37-N209 PolarHBondContact O-OD1 3.48Å; P39-N209 WeakPolarHBondContact CD-OD1 3.34Å; C40-N209 HydrophobicContact CB-CB 3.92Å; C40-N209 WeakPolarHBondContact CB-O 3.36Å; C40-N209 VanDerWaalsContact CB-OD1 3.31Å; C40-N209 WeakPolarHBondContact CB-OD1 3.49Å; C40-N209 PolarHBondContact N-OD1 3.06Å; C40-N209 PolarHBondContact SG-O 3Å; C174-N209 HydrophobicContact CB-CB 4.46Å; L205-N209 WeakPolarHBondContact O-CB 3.18Å; L205-N209 PolarHBondContact O-N 3.33Å; L205-N209 PolarHBondContact O-ND2 3.16Å; L206-N209 PolarHBondContact O-N 3.17Å
210V86.3Confident88.8Confident43 Ų4329.5 Ų29.526%0.26115%0.153SC..SBendtrans-132.572.7172.6-169.20000110.3I186 L206 V207 D212 S213I186-V210 HydrophobicContact CD1-CB 4.47Å; L206-V210 PolarHBondContact O-N 3.2Å; V207-V210 CarbonylContact O-C 3.58Å; V207-V210 PolarHBondContact O-N 3.02Å; V207-V210 VanDerWaalsContact O-O 3.14Å; V210-D212 VanDerWaalsContact C-N 3.25Å; V210-D212 PolarHBondContact O-N 2.87Å; V210-D212 VanDerWaalsContact O-N 3.11Å; V210-S213 WeakPolarHBondContact O-CB 3.43Å; V210-S213 PolarHBondContact O-N 3.04Å; V210-S213 PolarHBondContact O-OG 2.71Å
211P85.8Confident88.9Confident15 Ų1527.8 Ų27.810%0.09714%0.144CC..G310 helixtrans-58.7-29.5-169.7-28.236.5000115.7F15 M18 Q19 V207 S213 F214F15-P211 HydrophobicContact CE2-CB 4.23Å; F15-P211 HydrophobicContact CZ-CB 3.92Å; M18-P211 HydrophobicContact CB-CG 4.4Å; M18-P211 HydrophobicContact CG-CG 4.02Å; Q19-P211 HydrophobicContact CB-CB 3.85Å; Q19-P211 HydrophobicContact CB-CG 4.48Å; Q19-P211 HydrophobicContact CG-CB 4.01Å; V207-P211 VanDerWaalsContact O-CA 3.32Å; V207-P211 WeakPolarHBondContact O-CA 3.46Å; P211-S213 PolarHBondContact O-N 3.25Å; P211-F214 VanDerWaalsContact O-CB 3.27Å; P211-F214 WeakPolarHBondContact O-CB 3.47Å; P211-F214 PolarHBondContact O-N 3.48Å
212D87.1Confident88.9Confident147 Ų14727.4 Ų27.479%0.78614%0.143SC*.G310 helixtrans-62.3-29.3176.6-64-42.2000112.5V210 F214V210-D212 VanDerWaalsContact C-N 3.25Å; V210-D212 PolarHBondContact O-N 2.87Å; V210-D212 VanDerWaalsContact O-N 3.11Å; D212-F214 PolarHBondContact O-N 3.43Å
213S88.8Confident88.9Confident6 Ų633.2 Ų33.24%0.04217%0.168CC..G310 helixtrans-71.1-14.6-179.672.30000113.7I186 V210 P211 S215 E216 V217I186-S213 WeakPolarHBondContact CD1-OG 3.5Å; V210-S213 WeakPolarHBondContact O-CB 3.43Å; V210-S213 PolarHBondContact O-N 3.04Å; V210-S213 PolarHBondContact O-OG 2.71Å; P211-S213 PolarHBondContact O-N 3.25Å; S213-S215 VanDerWaalsContact C-N 3.28Å; S213-S215 PolarHBondContact O-N 3.31Å; S213-S215 VanDerWaalsContact O-N 3.16Å; S213-E216 PolarHBondContact O-N 2.94Å; S213-V217 WeakPolarHBondContact O-CG2 3.31Å; S213-V217 PolarHBondContact O-N 3.09Å
214F90.6Very high88.7Confident6 Ų636.4 Ų36.43%0.02619%0.185CC..Hα-helixtrans-49-47.1-175.4-178.6-83.4000112.9F15 V207 P211 D212 C218 L245 M248 N249 Q252 I256F15-F214 HydrophobicContact CZ-CB 4.35Å; F15-F214 HydrophobicContact CZ-CD2 4.01Å; F15-F214 HydrophobicContact CZ-CG 4.45Å; V207-F214 HydrophobicContact CG1-CB 3.82Å; V207-F214 HydrophobicContact CG1-CD2 3.72Å; V207-F214 HydrophobicContact CG1-CG 4.24Å; P211-F214 VanDerWaalsContact O-CB 3.27Å; P211-F214 WeakPolarHBondContact O-CB 3.47Å; P211-F214 PolarHBondContact O-N 3.48Å; D212-F214 PolarHBondContact O-N 3.43Å; F214-C218 VanDerWaalsContact O-CB 3.28Å; F214-C218 WeakPolarHBondContact O-CB 3.4Å; F214-C218 PolarHBondContact O-N 3.38Å; F214-C218 PolarHBondContact O-SG 2.93Å; F214-L245 HydrophobicContact CE2-CB 4.09Å; F214-L245 WeakPolarHBondContact CE2-O 3.46Å; F214-M248 HydrophobicContact CD2-CE 4.43Å; F214-N249 HydrophobicContact CD2-CB 4.27Å; F214-N249 HydrophobicContact CE1-CB 4.49Å; F214-N249 HydrophobicContact CE2-CB 3.63Å; F214-N249 HydrophobicContact CZ-CB 3.77Å; F214-Q252 HydrophobicContact CD1-CB 4.41Å; F214-Q252 HydrophobicContact CD1-CG 4.26Å; F214-Q252 HydrophobicContact CE1-CB 3.55Å; F214-Q252 HydrophobicContact CE1-CG 3.85Å; F214-Q252 HydrophobicContact CZ-CB 4.13Å; F214-I256 HydrophobicContact CE1-CD1 4Å; F214-I256 HydrophobicContact CE1-CG1 4.39Å; F214-I256 HydrophobicContact CZ-CD1 4.46Å
215S89.4Confident88.4Confident69 Ų6936.5 Ų36.548%0.48319%0.187SC..Hα-helixtrans-70.6-38.8-179.1-1680000112.2S213 R219S213-S215 VanDerWaalsContact C-N 3.28Å; S213-S215 PolarHBondContact O-N 3.31Å; S213-S215 VanDerWaalsContact O-N 3.16Å; S215-R219 WeakPolarHBondContact O-CB 3.48Å; S215-R219 PolarHBondContact O-N 3.41Å
216E90.3Very high88Confident118 Ų11839 Ų3955%0.55120%0.199SC*.Hα-helixtrans-68.4-49.2179.3-174.3177.1-160.100111.6I186 V187 S213 R219 G220I186-E216 HydrophobicContact CG2-CG 4.5Å; V187-E216 HydrophobicContact CG2-CG 3.81Å; S213-E216 PolarHBondContact O-N 2.94Å; E216-R219 PolarHBondContact O-N 3.21Å; E216-G220 PolarHBondContact O-N 2.95Å
217V89.9Confident87.5Confident1 Ų146.7 Ų46.71%0.00623%0.227CC..Hα-helixtrans-59.5-50.5176.8171.80000110.5I186 A190 V207 S213 R219 G220 L221 L245I186-V217 HydrophobicContact CB-CG2 4.48Å; I186-V217 HydrophobicContact CD1-CG2 4.42Å; I186-V217 HydrophobicContact CG1-CG2 3.75Å; I186-V217 HydrophobicContact CG2-CG2 4.12Å; A190-V217 HydrophobicContact CB-CG1 3.8Å; V207-V217 HydrophobicContact CG2-CB 4.24Å; V207-V217 HydrophobicContact CG2-CG1 4.12Å; V207-V217 HydrophobicContact CG2-CG2 4.09Å; S213-V217 WeakPolarHBondContact O-CG2 3.31Å; S213-V217 PolarHBondContact O-N 3.09Å; V217-R219 VanDerWaalsContact C-N 3.33Å; V217-R219 PolarHBondContact O-N 3.4Å; V217-G220 PolarHBondContact O-N 3.06Å; V217-L221 HydrophobicContact CG1-CD1 3.84Å; V217-L221 HydrophobicContact CG1-CG 4.38Å; V217-L221 WeakPolarHBondContact O-CB 3.44Å; V217-L221 VanDerWaalsContact O-CG 3.28Å; V217-L221 WeakPolarHBondContact O-CG 3.34Å; V217-L221 PolarHBondContact O-N 3.45Å; V217-L245 HydrophobicContact CG1-CD1 4.36Å
218C91.8Very high86.8Confident0 Ų048.7 Ų48.70%024%0.236CC..Hα-helixtrans-62.5-40.9-179.7-68.80000112.1F214 I222 L242 I256F214-C218 VanDerWaalsContact O-CB 3.28Å; F214-C218 WeakPolarHBondContact O-CB 3.4Å; F214-C218 PolarHBondContact O-N 3.38Å; F214-C218 PolarHBondContact O-SG 2.93Å; C218-I222 WeakPolarHBondContact O-CB 3.23Å; C218-I222 WeakPolarHBondContact O-CD1 3.35Å; C218-I222 WeakPolarHBondContact O-CG1 3.5Å; C218-I222 PolarHBondContact O-N 3.14Å; C218-L242 HydrophobicContact CB-CD2 3.92Å; C218-I256 HydrophobicContact CB-CD1 3.3Å
219R91.1Very high85.7Confident136 Ų13651.1 Ų51.151%0.51325%0.249SC..Hα-helixtrans-67.2-40.8177.1-172.9178.2-177.3-167.53.2112.4S215 E216 V217 I222 K223 M259 E263S215-R219 WeakPolarHBondContact O-CB 3.48Å; S215-R219 PolarHBondContact O-N 3.41Å; E216-R219 PolarHBondContact O-N 3.21Å; V217-R219 VanDerWaalsContact C-N 3.33Å; V217-R219 PolarHBondContact O-N 3.4Å; R219-I222 PolarHBondContact O-N 3.06Å; R219-K223 VanDerWaalsContact O-CB 3.25Å; R219-K223 WeakPolarHBondContact O-CB 3.35Å; R219-K223 PolarHBondContact O-N 3.43Å; R219-M259 HydrophobicContact CB-SD 4.15Å; R219-M259 HydrophobicContact CG-SD 4.32Å; R219-E263 IonicContact NE-OE1 3.52Å; R219-E263 IonicContact NH2-OE1 2.76Å
220G89Confident84.4Confident9 Ų952 Ų529%0.09325%0.253CS..Hα-helixtrans-58.7-52.9175.300000111.5E216 V217 I222 K223 N224E216-G220 PolarHBondContact O-N 2.95Å; V217-G220 PolarHBondContact O-N 3.06Å; G220-I222 PolarHBondContact O-N 2.73Å; G220-K223 PolarHBondContact O-N 3.36Å; G220-N224 WeakPolarHBondContact O-CB 3.31Å; G220-N224 VanDerWaalsContact O-CG 3.31Å; G220-N224 PolarHBondContact O-N 3.32Å
221L89.4Confident83.2Confident0 Ų053.2 Ų53.20%026%0.256CS..Hα-helixtrans-58.9-43.5176.3-66.7173.2000112.1A190 L194 M203 V217 K223 G225 R238 L242 L245A190-L221 HydrophobicContact CB-CD2 4.29Å; L194-L221 HydrophobicContact CD1-CD2 3.9Å; L194-L221 HydrophobicContact CG-CD2 4.39Å; M203-L221 HydrophobicContact SD-CD1 4.29Å; V217-L221 HydrophobicContact CG1-CD1 3.84Å; V217-L221 HydrophobicContact CG1-CG 4.38Å; V217-L221 WeakPolarHBondContact O-CB 3.44Å; V217-L221 VanDerWaalsContact O-CG 3.28Å; V217-L221 WeakPolarHBondContact O-CG 3.34Å; V217-L221 PolarHBondContact O-N 3.45Å; L221-K223 PolarHBondContact O-N 2.91Å; L221-G225 PolarHBondContact O-N 3.27Å; L221-R238 HydrophobicContact CB-CG 4.44Å; L221-R238 WeakPolarHBondContact O-CD 3.44Å; L221-L242 HydrophobicContact CB-CD1 4.08Å; L221-L242 HydrophobicContact CB-CD2 4.02Å; L221-L242 HydrophobicContact CB-CG 4.22Å; L221-L242 HydrophobicContact CD1-CD2 3.99Å; L221-L242 HydrophobicContact CD1-CG 4.25Å; L221-L245 HydrophobicContact CD1-CD1 4.44Å
222I90.3Very high82.7Confident0 Ų053.8 Ų53.80%026%0.261CS..Hα-helixtrans-61.4-46176-70.5162.5000111.3C218 R219 G220 N224 G225 L242 I256 M259 V260 E263 H265C218-I222 WeakPolarHBondContact O-CB 3.23Å; C218-I222 WeakPolarHBondContact O-CD1 3.35Å; C218-I222 WeakPolarHBondContact O-CG1 3.5Å; C218-I222 PolarHBondContact O-N 3.14Å; R219-I222 PolarHBondContact O-N 3.06Å; G220-I222 PolarHBondContact O-N 2.73Å; I222-N224 PolarHBondContact O-N 3.27Å; I222-G225 WeakPolarHBondContact O-CA 3.36Å; I222-G225 PolarHBondContact O-N 3.21Å; I222-L242 HydrophobicContact CG1-CD1 3.94Å; I222-I256 HydrophobicContact CD1-CG2 4.21Å; I222-M259 HydrophobicContact CD1-CB 4.04Å; I222-V260 HydrophobicContact CD1-CG2 3.97Å; I222-V260 HydrophobicContact CG1-CG2 4.12Å; I222-V260 HydrophobicContact CG2-CG2 4.37Å; I222-E263 HydrophobicContact CG2-CB 4.12Å; I222-E263 HydrophobicContact CG2-CG 4.26Å; I222-H265 WeakPolarHBondContact O-CB 3.46Å
223K87.4Confident82.2Confident123 Ų12351.1 Ų51.154%0.53525%0.249SC..Hα-helixtrans-66.5-35.5-177.6-178.3-172.1172.3-162.10112.9R219 G220 L221 G225 H265R219-K223 VanDerWaalsContact O-CB 3.25Å; R219-K223 WeakPolarHBondContact O-CB 3.35Å; R219-K223 PolarHBondContact O-N 3.43Å; G220-K223 PolarHBondContact O-N 3.36Å; L221-K223 PolarHBondContact O-N 2.91Å; K223-G225 VanDerWaalsContact C-N 3.27Å; K223-H265 PolarHBondContact O-NE2 3.38Å
224N85.4Confident81.8Confident70 Ų7050.9 Ų50.937%0.37425%0.247SC..Hα-helixtrans-82.1-6.6173.2-64.4-11.5000112.6E191 G220 I222 R238E191-N224 WeakPolarHBondContact OE2-CB 3.39Å; E191-N224 PolarHBondContact OE2-ND2 2.99Å; G220-N224 WeakPolarHBondContact O-CB 3.31Å; G220-N224 VanDerWaalsContact O-CG 3.31Å; G220-N224 PolarHBondContact O-N 3.32Å; I222-N224 PolarHBondContact O-N 3.27Å; N224-R238 PolarHBondContact O-NH2 2.88Å
225G83.1Confident81.3Confident6 Ų650.6 Ų50.66%0.06225%0.246CC..SBendtrans-66.4164.6177.600000113.4L221 I222 K223 H265L221-G225 PolarHBondContact O-N 3.27Å; I222-G225 WeakPolarHBondContact O-CA 3.36Å; I222-G225 PolarHBondContact O-N 3.21Å; K223-G225 VanDerWaalsContact C-N 3.27Å; G225-H265 PolarHBondContact O-CD2 3.32Å
226E79.9Confident80.8Confident59 Ų5952.1 Ų52.128%0.27624%0.242SC..  trans-81.6140.7179.8-74.8155.2-129.200111.2Q228 S232 G235 R238 L266E226-Q228 VanDerWaalsContact C-N 3.3Å; E226-Q228 PolarHBondContact O-N 2.83Å; E226-S232 PolarHBondContact OE1-OG 3.43Å; E226-S232 WeakPolarHBondContact OE2-CB 3.29Å; E226-S232 PolarHBondContact OE2-OG 2.99Å; E226-G235 PolarHBondContact OE1-N 2.9Å; E226-R238 IonicContact OE1-NH1 3.48Å; E226-L266 PolarHBondContact O-N 3.27Å
227R78.1Confident80.5Confident165 Ų16548.7 Ų48.762%0.62322%0.224SC*.SBendtrans-68.3-28.8-179.1-73.7-176.8175.3168.83.7113.3H265 W307R227-H265 WeakPolarHBondContact CG-CD2 3.44Å; R227-W307 VanDerWaalsContact O-CD1 3.24Å; R227-W307 PolarHBondContact O-NE1 3.42Å; R227-W307 VanDerWaalsContact O-NE1 3.14Å
228Q73.3Confident80.4Confident43 Ų4349.6 Ų49.620%0.20123%0.227CC..SBendtrans-153.341.7-161.3-75.1-60.5-63.100114.3E226 W307 M310 F311E226-Q228 VanDerWaalsContact C-N 3.3Å; E226-Q228 PolarHBondContact O-N 2.83Å; Q228-W307 PolarHBondContact NE2-O 2.93Å; Q228-M310 VanDerWaalsContact OE1-C 3.23Å; Q228-F311 VanDerWaalsContact OE1-N 3.17Å
229D65Low80.2Confident51 Ų5150.6 Ų50.627%0.27323%0.233SC..  trans-145.4157.7169.9-132.7-48.6000115.1E231D229-E231 WeakPolarHBondContact OD1-CB 3.49Å; D229-E231 PolarHBondContact OD1-N 2.99Å
230E61.5Low80Confident25 Ų2547.2 Ų47.212%0.11722%0.223CC..SBendtrans-127.4-4.8172.8-123.4-175.6-128.400110.9R236 G268 F311 S324 V325E230-R236 WeakPolarHBondContact O-CG 3.34Å; E230-R236 PolarHBondContact O-NE 3.08Å; E230-G268 WeakPolarHBondContact OE1-CA 3.29Å; E230-F311 HydrophobicContact CG-CE2 4.38Å; E230-F311 WeakPolarHBondContact OE1-CE2 3.3Å; E230-F311 VanDerWaalsContact OE1-CZ 3.22Å; E230-F311 WeakPolarHBondContact OE1-CZ 3.47Å; E230-S324 WeakPolarHBondContact OE2-CA 3.49Å; E230-S324 WeakPolarHBondContact OE2-CB 3.49Å; E230-S324 PolarHBondContact OE2-OG 3.29Å; E230-V325 WeakPolarHBondContact OE1-CB 3.44Å; E230-V325 PolarHBondContact OE2-N 3.11Å
231E59.9Low79.9Confident68 Ų6846.8 Ų46.832%0.31822%0.219SC..SBendtrans-117-11.7-167.5-62.3-177.9-159.100114.3D229 R318D229-E231 WeakPolarHBondContact OD1-CB 3.49Å; D229-E231 PolarHBondContact OD1-N 2.99Å; E231-R318 WeakPolarHBondContact OE1-CD 3.11Å; E231-R318 IonicContact OE1-NH1 2.66Å; E231-R318 WeakPolarHBondContact OE2-CD 3.46Å; E231-R318 IonicContact OE2-CZ 3.21Å; E231-R318 IonicContact OE2-NE 2.65Å; E231-R318 IonicContact OE2-NH1 2.91Å; E231-R318 PolarHBondContact OE2-NH1 2.74Å
232S75.7Confident79.9Confident28 Ų2846.8 Ų46.820%0.19622%0.219CC..SBendtrans-65.3142.616766.20000110.7E226 G234 G235 R236E226-S232 PolarHBondContact OE1-OG 3.43Å; E226-S232 WeakPolarHBondContact OE2-CB 3.29Å; E226-S232 PolarHBondContact OE2-OG 2.99Å; S232-G234 VanDerWaalsContact C-N 3.29Å; S232-G234 PolarHBondContact O-N 3.32Å; S232-G235 PolarHBondContact O-N 3.04Å; S232-G235 VanDerWaalsContact OG-CA 3.31Å; S232-G235 WeakPolarHBondContact OG-CA 3.45Å; S232-G235 PolarHBondContact OG-N 3.37Å; S232-R236 WeakPolarHBondContact O-CB 3.33Å; S232-R236 WeakPolarHBondContact O-CG 3.18Å; S232-R236 PolarHBondContact O-N 3.24Å
233V76.7Confident79.9Confident91 Ų9149.8 Ų49.855%0.55223%0.23SC*.Hα-helixtrans-63.9-39.1178.7-174.80000110.4F152 R236 R237F152-V233 HydrophobicContact CD1-CB 3.87Å; F152-V233 HydrophobicContact CD1-CG1 4.1Å; F152-V233 HydrophobicContact CE1-CB 3.94Å; F152-V233 HydrophobicContact CE1-CG1 3.63Å; V233-R236 PolarHBondContact O-N 3.3Å; V233-R237 WeakPolarHBondContact O-CG 3.24Å; V233-R237 PolarHBondContact O-N 3.41Å
234G79.3Confident79.9Confident0 Ų045.5 Ų45.50%021%0.212CC..Hα-helixtrans-62.1-50173.900000112.9S232 R236 R237 R238S232-G234 VanDerWaalsContact C-N 3.29Å; S232-G234 PolarHBondContact O-N 3.32Å; G234-R236 PolarHBondContact O-N 2.89Å; G234-R237 PolarHBondContact O-N 3.16Å; G234-R238 WeakPolarHBondContact O-CB 3.38Å; G234-R238 PolarHBondContact O-N 3.06Å
235G81.3Confident80Confident0 Ų042.2 Ų42.20%019%0.194CC..Hα-helixtrans-58.8-42.9175.800000113.3E226 S232 T239E226-G235 PolarHBondContact OE1-N 2.9Å; S232-G235 PolarHBondContact O-N 3.04Å; S232-G235 VanDerWaalsContact OG-CA 3.31Å; S232-G235 WeakPolarHBondContact OG-CA 3.45Å; S232-G235 PolarHBondContact OG-N 3.37Å; G235-T239 VanDerWaalsContact O-CB 3.27Å; G235-T239 WeakPolarHBondContact O-CB 3.27Å; G235-T239 PolarHBondContact O-N 3.06Å; G235-T239 PolarHBondContact O-OG1 3.17Å
236R79.6Confident80.3Confident102 Ų10242.2 Ų42.239%0.38519%0.193SC..Hα-helixtrans-61.6-50.5174.7-74-179.2172.8-169.9-3.1111.9E230 S232 V233 G234 T239 E240 E321E230-R236 WeakPolarHBondContact O-CG 3.34Å; E230-R236 PolarHBondContact O-NE 3.08Å; S232-R236 WeakPolarHBondContact O-CB 3.33Å; S232-R236 WeakPolarHBondContact O-CG 3.18Å; S232-R236 PolarHBondContact O-N 3.24Å; V233-R236 PolarHBondContact O-N 3.3Å; G234-R236 PolarHBondContact O-N 2.89Å; R236-T239 PolarHBondContact O-N 3.23Å; R236-E240 PolarHBondContact O-N 3.26Å; R236-E321 IonicContact CZ-OE2 3.19Å; R236-E321 IonicContact NH1-OE2 2.69Å; R236-E321 IonicContact NH2-OE2 3.52Å; R236-E321 PolarHBondContact NH2-OE2 3.36Å
237R83.1Confident80.7Confident46 Ų4643.8 Ų43.817%0.17420%0.201CC..Hα-helixtrans-66.6-39.1-179.9-69.2-155.873.6-154.73.9113.2L194 V196 R197 D200 V233 G234 E240 A241L194-R237 PolarHBondContact O-NH1 2.79Å; V196-R237 VanDerWaalsContact O-CZ 3.28Å; V196-R237 PolarHBondContact O-NH1 3.31Å; V196-R237 PolarHBondContact O-NH2 3.31Å; R197-R237 PolarHBondContact O-NH2 3.17Å; D200-R237 IonicContact OD1-NH2 2.66Å; D200-R237 PolarHBondContact OD1-NH2 2.98Å; V233-R237 WeakPolarHBondContact O-CG 3.24Å; V233-R237 PolarHBondContact O-N 3.41Å; G234-R237 PolarHBondContact O-N 3.16Å; R237-E240 PolarHBondContact O-N 3.43Å; R237-A241 VanDerWaalsContact O-CB 3.3Å; R237-A241 WeakPolarHBondContact O-CB 3.46Å; R237-A241 PolarHBondContact O-N 3.02Å
238R88.4Confident81.1Confident20 Ų2036.3 Ų36.38%0.07517%0.173CC..Hα-helixtrans-64.8-38.9175.2-170.8-177.3-71.3124.8-14112E191 L194 L221 N224 E226 G234 L242 L266E191-R238 IonicContact OE1-CZ 2.99Å; E191-R238 IonicContact OE1-NE 3.8Å; E191-R238 PolarHBondContact OE1-NE 3.01Å; E191-R238 IonicContact OE1-NH2 3.47Å; E191-R238 PolarHBondContact OE1-NH2 3.44Å; L194-R238 HydrophobicContact CD1-CB 3.95Å; L194-R238 HydrophobicContact CD1-CG 3.96Å; L194-R238 HydrophobicContact CD2-CB 4.18Å; L221-R238 HydrophobicContact CB-CG 4.44Å; L221-R238 WeakPolarHBondContact O-CD 3.44Å; N224-R238 PolarHBondContact O-NH2 2.88Å; E226-R238 IonicContact OE1-NH1 3.48Å; G234-R238 WeakPolarHBondContact O-CB 3.38Å; G234-R238 PolarHBondContact O-N 3.06Å; R238-L242 HydrophobicContact CG-CD1 4.29Å; R238-L242 WeakPolarHBondContact O-CB 3.44Å; R238-L242 WeakPolarHBondContact O-CG 3.42Å; R238-L242 PolarHBondContact O-N 2.77Å; R238-L266 HydrophobicContact CG-CD1 4.14Å
239T87Confident81.8Confident20 Ų2034.7 Ų34.712%0.12317%0.165CC..Hα-helixtrans-64.3-48.4174.3-61.30000111.3G235 R236 L242 R243 L269G235-T239 VanDerWaalsContact O-CB 3.27Å; G235-T239 WeakPolarHBondContact O-CB 3.27Å; G235-T239 PolarHBondContact O-N 3.06Å; G235-T239 PolarHBondContact O-OG1 3.17Å; R236-T239 PolarHBondContact O-N 3.23Å; T239-L242 PolarHBondContact O-N 3.38Å; T239-R243 WeakPolarHBondContact O-CB 3.23Å; T239-R243 PolarHBondContact O-N 3.31Å; T239-L269 HydrophobicContact CG2-CB 4.06Å; T239-L269 HydrophobicContact CG2-CD1 4.06Å
240E86Confident82.8Confident65 Ų6535.6 Ų35.630%0.30417%0.174SC..Hα-helixtrans-68.6-39.3179.8-168.957.7-143.100111.9R236 R237 L242 R243 Q244R236-E240 PolarHBondContact O-N 3.26Å; R237-E240 PolarHBondContact O-N 3.43Å; E240-L242 PolarHBondContact O-N 3.05Å; E240-R243 CarbonylContact O-C 3.59Å; E240-R243 WeakPolarHBondContact O-CA 3.46Å; E240-R243 VanDerWaalsContact O-CB 3.32Å; E240-R243 WeakPolarHBondContact O-CB 3.49Å; E240-R243 PolarHBondContact O-N 2.81Å; E240-R243 VanDerWaalsContact O-N 3.1Å; E240-R243 IonicContact OE1-NH1 3.58Å; E240-R243 VanDerWaalsContact OE2-CD 3.31Å; E240-R243 WeakPolarHBondContact OE2-CD 3.3Å; E240-R243 IonicContact OE2-NH1 2.69Å; E240-R243 PolarHBondContact OE2-NH1 3.05Å; E240-Q244 WeakPolarHBondContact O-CG 3.3Å; E240-Q244 PolarHBondContact O-N 3.29Å; E240-Q244 PolarHBondContact OE1-NE2 3.2Å
241A87.9Confident83.9Confident1 Ų138.3 Ų38.31%0.00820%0.196CC..Hα-helixtrans-58.5-46.9173.200000112.6L194 D200 M203 R237 R243 Q244 L245L194-A241 HydrophobicContact CD2-CB 4.03Å; D200-A241 HydrophobicContact CB-CB 4.13Å; M203-A241 HydrophobicContact CE-CB 3.54Å; R237-A241 VanDerWaalsContact O-CB 3.3Å; R237-A241 WeakPolarHBondContact O-CB 3.46Å; R237-A241 PolarHBondContact O-N 3.02Å; A241-R243 VanDerWaalsContact C-N 3.26Å; A241-R243 PolarHBondContact O-N 3.09Å; A241-Q244 PolarHBondContact O-N 3.37Å; A241-L245 WeakPolarHBondContact O-CG 3.5Å; A241-L245 PolarHBondContact O-N 3.17Å
242L89.6Confident85.1Confident0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-63.7-32.2175.1-77166.6000112.3C218 L221 I222 R238 T239 E240 C246 L266 L269C218-L242 HydrophobicContact CB-CD2 3.92Å; L221-L242 HydrophobicContact CB-CD1 4.08Å; L221-L242 HydrophobicContact CB-CD2 4.02Å; L221-L242 HydrophobicContact CB-CG 4.22Å; L221-L242 HydrophobicContact CD1-CD2 3.99Å; L221-L242 HydrophobicContact CD1-CG 4.25Å; I222-L242 HydrophobicContact CG1-CD1 3.94Å; R238-L242 HydrophobicContact CG-CD1 4.29Å; R238-L242 WeakPolarHBondContact O-CB 3.44Å; R238-L242 WeakPolarHBondContact O-CG 3.42Å; R238-L242 PolarHBondContact O-N 2.77Å; T239-L242 PolarHBondContact O-N 3.38Å; E240-L242 PolarHBondContact O-N 3.05Å; L242-C246 WeakPolarHBondContact O-CB 3.43Å; L242-C246 PolarHBondContact O-N 2.79Å; L242-C246 PolarHBondContact O-SG 2.63Å; L242-L266 HydrophobicContact CD1-CD1 3.7Å; L242-L269 HydrophobicContact CB-CD1 4.12Å; L242-L269 HydrophobicContact CB-CD2 3.73Å; L242-L269 HydrophobicContact CD1-CD2 3.53Å; L242-L269 HydrophobicContact CG-CD2 4.22Å
243R89.5Confident85.6Confident62 Ų6237.1 Ų37.123%0.23419%0.189CC..Hα-helixtrans-70.3-42.5175.4-165.7-169.2-172.1-164.60.4112.2T239 E240 A241 C246 Q247 D276T239-R243 WeakPolarHBondContact O-CB 3.23Å; T239-R243 PolarHBondContact O-N 3.31Å; E240-R243 CarbonylContact O-C 3.59Å; E240-R243 WeakPolarHBondContact O-CA 3.46Å; E240-R243 VanDerWaalsContact O-CB 3.32Å; E240-R243 WeakPolarHBondContact O-CB 3.49Å; E240-R243 PolarHBondContact O-N 2.81Å; E240-R243 VanDerWaalsContact O-N 3.1Å; E240-R243 IonicContact OE1-NH1 3.58Å; E240-R243 VanDerWaalsContact OE2-CD 3.31Å; E240-R243 WeakPolarHBondContact OE2-CD 3.3Å; E240-R243 IonicContact OE2-NH1 2.69Å; E240-R243 PolarHBondContact OE2-NH1 3.05Å; A241-R243 VanDerWaalsContact C-N 3.26Å; A241-R243 PolarHBondContact O-N 3.09Å; R243-C246 CarbonylContact O-C 3.59Å; R243-C246 PolarHBondContact O-N 2.74Å; R243-Q247 WeakPolarHBondContact O-CG 3.32Å; R243-Q247 PolarHBondContact O-N 3.23Å; R243-D276 IonicContact CZ-OD1 3.75Å; R243-D276 IonicContact CZ-OD2 2.71Å; R243-D276 IonicContact NE-OD1 2.74Å; R243-D276 IonicContact NE-OD2 3.72Å; R243-D276 PolarHBondContact NE-OD2 3.3Å; R243-D276 IonicContact NH2-OD1 2.8Å; R243-D276 PolarHBondContact NH2-OD1 2.56Å; R243-D276 IonicContact NH2-OD2 3.14Å; R243-D276 PolarHBondContact NH2-OD2 3.27Å
244Q87.2Confident86Confident34 Ų3436 Ų3616%0.15918%0.18CC..Hα-helixtrans-62.8-43.5173.6-67.2-59.7-37.600111.2F9 E240 A241 C246 Q247 M248F9-Q244 HydrophobicContact CE1-CG 4.43Å; E240-Q244 WeakPolarHBondContact O-CG 3.3Å; E240-Q244 PolarHBondContact O-N 3.29Å; E240-Q244 PolarHBondContact OE1-NE2 3.2Å; A241-Q244 PolarHBondContact O-N 3.37Å; Q244-C246 VanDerWaalsContact C-N 3.31Å; Q244-C246 PolarHBondContact O-N 2.76Å; Q244-Q247 PolarHBondContact O-N 3.14Å; Q244-Q247 VanDerWaalsContact O-N 3.1Å; Q244-M248 PolarHBondContact O-N 2.83Å
245L89Confident86.5Confident1 Ų140 Ų401%0.00520%0.202CC..Hα-helixtrans-59.1-39.8171.3-69172.4000112V207 F214 V217 L221 A241 M248 N249V207-L245 HydrophobicContact CB-CD2 4.05Å; V207-L245 HydrophobicContact CG1-CD2 4.23Å; V207-L245 HydrophobicContact CG2-CD2 4.15Å; F214-L245 HydrophobicContact CE2-CB 4.09Å; F214-L245 WeakPolarHBondContact CE2-O 3.46Å; V217-L245 HydrophobicContact CG1-CD1 4.36Å; L221-L245 HydrophobicContact CD1-CD1 4.44Å; A241-L245 WeakPolarHBondContact O-CG 3.5Å; A241-L245 PolarHBondContact O-N 3.17Å; L245-M248 HydrophobicContact CD2-CE 3.66Å; L245-M248 PolarHBondContact O-N 3.1Å; L245-N249 PolarHBondContact O-N 3.04Å
246C89.1Confident86.8Confident6 Ų640.1 Ų40.14%0.04120%0.202CC..Hα-helixtrans-70.7-26.9174.6-67.90000114.1L242 R243 Q244 N249 P250 A253 L273L242-C246 WeakPolarHBondContact O-CB 3.43Å; L242-C246 PolarHBondContact O-N 2.79Å; L242-C246 PolarHBondContact O-SG 2.63Å; R243-C246 CarbonylContact O-C 3.59Å; R243-C246 PolarHBondContact O-N 2.74Å; Q244-C246 VanDerWaalsContact C-N 3.31Å; Q244-C246 PolarHBondContact O-N 2.76Å; C246-N249 CarbonylContact O-C 3.56Å; C246-P250 VanDerWaalsContact O-CA 3.3Å; C246-P250 WeakPolarHBondContact O-CA 3.41Å; C246-P250 VanDerWaalsContact O-N 3.13Å; C246-A253 HydrophobicContact CB-CB 4.27Å; C246-L273 HydrophobicContact CB-CD2 3.54Å
247Q87.4Confident87.3Confident92 Ų9237.8 Ų37.843%0.4319%0.193SC..Hα-helixtrans-72.9-35.5171.5-71.3172.535.200111.1R243 Q244 P250R243-Q247 WeakPolarHBondContact O-CG 3.32Å; R243-Q247 PolarHBondContact O-N 3.23Å; Q244-Q247 PolarHBondContact O-N 3.14Å; Q244-Q247 VanDerWaalsContact O-N 3.1Å; Q247-P250 WeakPolarHBondContact O-CD 3.48Å
248M87.4Confident87.6Confident7 Ų737.7 Ų37.73%0.03420%0.202CC..Hα-helixtrans-68.6-34.4171.9-174.5179.368.200112.5V10 S12 F15 C204 V207 A208 F214 Q244 L245V10-M248 HydrophobicContact CB-CG 4.31Å; V10-M248 HydrophobicContact CB-SD 3.93Å; V10-M248 HydrophobicContact CG1-CG 4.42Å; V10-M248 HydrophobicContact CG1-SD 4.28Å; S12-M248 VanDerWaalsContact CA-O 3.28Å; S12-M248 WeakPolarHBondContact CA-O 3.44Å; S12-M248 WeakPolarHBondContact CB-O 3.47Å; F15-M248 HydrophobicContact CB-CG 3.69Å; F15-M248 HydrophobicContact CB-SD 4.49Å; F15-M248 HydrophobicContact CD2-CE 3.57Å; F15-M248 HydrophobicContact CD2-CG 3.74Å; F15-M248 HydrophobicContact CD2-SD 3.62Å; F15-M248 HydrophobicContact CE2-CE 3.61Å; F15-M248 HydrophobicContact CE2-SD 4.27Å; F15-M248 HydrophobicContact CG-CE 4.4Å; F15-M248 HydrophobicContact CG-CG 3.78Å; F15-M248 HydrophobicContact CG-SD 4.28Å; F15-M248 HydrophobicContact CZ-CE 4.48Å; C204-M248 HydrophobicContact CB-SD 4.24Å; V207-M248 HydrophobicContact CB-CE 4.19Å; V207-M248 HydrophobicContact CG1-CE 3.92Å; A208-M248 HydrophobicContact CB-SD 4.02Å; F214-M248 HydrophobicContact CD2-CE 4.43Å; Q244-M248 PolarHBondContact O-N 2.83Å; L245-M248 HydrophobicContact CD2-CE 3.66Å; L245-M248 PolarHBondContact O-N 3.1Å
249N87.8Confident87.7Confident9 Ų938.1 Ų38.15%0.04821%0.206CC..  trans-129.880.6172-167.4-10.9000113.4F15 Q19 F214 L245 C246 S251 Q252F15-N249 HydrophobicContact CD1-CB 3.96Å; F15-N249 HydrophobicContact CE1-CB 3.94Å; F15-N249 VanDerWaalsContact CE1-ND2 3.31Å; F15-N249 WeakPolarHBondContact CE1-ND2 3.29Å; Q19-N249 PolarHBondContact OE1-ND2 3.11Å; F214-N249 HydrophobicContact CD2-CB 4.27Å; F214-N249 HydrophobicContact CE1-CB 4.49Å; F214-N249 HydrophobicContact CE2-CB 3.63Å; F214-N249 HydrophobicContact CZ-CB 3.77Å; L245-N249 PolarHBondContact O-N 3.04Å; C246-N249 CarbonylContact O-C 3.56Å; N249-S251 PolarHBondContact O-N 2.96Å; N249-S251 VanDerWaalsContact O-N 3.16Å; N249-S251 PolarHBondContact OD1-N 3.3Å; N249-S251 PolarHBondContact OD1-OG 3.04Å; N249-Q252 WeakPolarHBondContact ND2-CG 3.26Å; N249-Q252 PolarHBondContact O-N 2.84Å
250P85Confident87.8Confident71 Ų7137.2 Ų37.246%0.46120%0.2SC..G310 helixtrans-60-28.3-179.2-2636.3000113.9C246 Q247 Q252 A253C246-P250 VanDerWaalsContact O-CA 3.3Å; C246-P250 WeakPolarHBondContact O-CA 3.41Å; C246-P250 VanDerWaalsContact O-N 3.13Å; Q247-P250 WeakPolarHBondContact O-CD 3.48Å; P250-Q252 PolarHBondContact O-N 3.35Å; P250-Q252 VanDerWaalsContact O-N 3.16Å; P250-A253 WeakPolarHBondContact O-CB 3.19Å; P250-A253 PolarHBondContact O-N 3.29Å; P250-A253 VanDerWaalsContact O-N 3.14Å
251S84.9Confident88Confident81 Ų8135.5 Ų35.557%0.56619%0.194SC*.G310 helixtrans-60.6-26.9-179.779.90000113.2N249N249-S251 PolarHBondContact O-N 2.96Å; N249-S251 VanDerWaalsContact O-N 3.16Å; N249-S251 PolarHBondContact OD1-N 3.3Å; N249-S251 PolarHBondContact OD1-OG 3.04Å
252Q85.5Confident88Confident59 Ų5941.9 Ų41.928%0.27622%0.224SC..G310 helixtrans-95.7-9.2-179-61.6-55.4-48.400113.5F214 N249 P250 L254 N255 I256F214-Q252 HydrophobicContact CD1-CB 4.41Å; F214-Q252 HydrophobicContact CD1-CG 4.26Å; F214-Q252 HydrophobicContact CE1-CB 3.55Å; F214-Q252 HydrophobicContact CE1-CG 3.85Å; F214-Q252 HydrophobicContact CZ-CB 4.13Å; N249-Q252 WeakPolarHBondContact ND2-CG 3.26Å; N249-Q252 PolarHBondContact O-N 2.84Å; P250-Q252 PolarHBondContact O-N 3.35Å; P250-Q252 VanDerWaalsContact O-N 3.16Å; Q252-L254 PolarHBondContact O-N 2.86Å; Q252-L254 VanDerWaalsContact O-N 3.11Å; Q252-N255 CarbonylContact O-C 3.54Å; Q252-N255 WeakPolarHBondContact O-CA 3.44Å; Q252-N255 WeakPolarHBondContact O-CB 3.3Å; Q252-N255 PolarHBondContact O-N 3.05Å; Q252-N255 PolarHBondContact OE1-ND2 2.95Å; Q252-I256 HydrophobicContact CB-CG1 4.39Å; Q252-I256 VanDerWaalsContact O-CG1 3.26Å; Q252-I256 WeakPolarHBondContact O-CG1 3.43Å; Q252-I256 PolarHBondContact O-N 3.36Å
253A86.1Confident88Confident12 Ų1243.9 Ų43.910%0.09923%0.233CC..Hα-helixtrans-56.2-35.2-174.500000113.2C246 P250 R257C246-A253 HydrophobicContact CB-CB 4.27Å; P250-A253 WeakPolarHBondContact O-CB 3.19Å; P250-A253 PolarHBondContact O-N 3.29Å; P250-A253 VanDerWaalsContact O-N 3.14Å; A253-R257 WeakPolarHBondContact O-CB 3.39Å; A253-R257 PolarHBondContact O-N 3.4Å
254L85.4Confident88Confident68 Ų6841.2 Ų41.236%0.35622%0.223SC..Hα-helixtrans-72.5-31.4175.7-58.4-178.3000113.2Q252 A258 Y277Q252-L254 PolarHBondContact O-N 2.86Å; Q252-L254 VanDerWaalsContact O-N 3.11Å; L254-A258 PolarHBondContact O-N 3.3Å; L254-A258 VanDerWaalsContact O-N 3.13Å; L254-Y277 HydrophobicContact CD1-CE2 4.19Å; L254-Y277 HydrophobicContact CD2-CD2 4.08Å; L254-Y277 HydrophobicContact CD2-CE2 4.15Å; L254-Y277 HydrophobicContact CG-CE2 4.33Å
255N88.6Confident88.1Confident85 Ų8541 Ų4146%0.45522%0.223SC..Hα-helixtrans-75.5-39.8175-63.9-19.9000111.1Q252 R257 A258 M259Q252-N255 CarbonylContact O-C 3.54Å; Q252-N255 WeakPolarHBondContact O-CA 3.44Å; Q252-N255 WeakPolarHBondContact O-CB 3.3Å; Q252-N255 PolarHBondContact O-N 3.05Å; Q252-N255 PolarHBondContact OE1-ND2 2.95Å; N255-R257 VanDerWaalsContact C-N 3.31Å; N255-R257 PolarHBondContact O-N 3.4Å; N255-A258 WeakPolarHBondContact O-CA 3.3Å; N255-A258 WeakPolarHBondContact O-CB 3.46Å; N255-A258 PolarHBondContact O-N 3.47Å; N255-M259 PolarHBondContact O-N 3.09Å
256I88.9Confident87.9Confident2 Ų241 Ų411%0.0122%0.223CC..Hα-helixtrans-58.1-45.6171.3-62.3-80.8000109.9F214 C218 I222 Q252 A258 M259 V260 L273F214-I256 HydrophobicContact CE1-CD1 4Å; F214-I256 HydrophobicContact CE1-CG1 4.39Å; F214-I256 HydrophobicContact CZ-CD1 4.46Å; C218-I256 HydrophobicContact CB-CD1 3.3Å; I222-I256 HydrophobicContact CD1-CG2 4.21Å; Q252-I256 HydrophobicContact CB-CG1 4.39Å; Q252-I256 VanDerWaalsContact O-CG1 3.26Å; Q252-I256 WeakPolarHBondContact O-CG1 3.43Å; Q252-I256 PolarHBondContact O-N 3.36Å; I256-A258 VanDerWaalsContact C-N 3.28Å; I256-A258 PolarHBondContact O-N 3.46Å; I256-M259 HydrophobicContact CD1-CE 3.78Å; I256-M259 HydrophobicContact CG1-CE 4.44Å; I256-M259 PolarHBondContact O-N 3.22Å; I256-V260 WeakPolarHBondContact O-CG2 3.41Å; I256-V260 PolarHBondContact O-N 3.38Å; I256-L273 HydrophobicContact CB-CD1 4.24Å; I256-L273 HydrophobicContact CG2-CD1 3.61Å
257R89.8Confident87.8Confident52 Ų5240.8 Ų40.820%0.19622%0.221CC..Hα-helixtrans-59.9-34.9173.5-174.2-179.270.5169.61.3112.7A253 N255 V261 T274 Y292A253-R257 WeakPolarHBondContact O-CB 3.39Å; A253-R257 PolarHBondContact O-N 3.4Å; N255-R257 VanDerWaalsContact C-N 3.31Å; N255-R257 PolarHBondContact O-N 3.4Å; R257-V261 WeakPolarHBondContact O-CG2 3.32Å; R257-V261 PolarHBondContact O-N 3.22Å; R257-T274 WeakPolarHBondContact CD-OG1 3.39Å; R257-T274 PolarHBondContact NH1-OG1 2.91Å; R257-T274 VanDerWaalsContact NH1-OG1 3.1Å; R257-Y292 VanDerWaalsContact CD-CE2 3.49Å; R257-Y292 HydrophobicContact CG-CD2 4.34Å; R257-Y292 HydrophobicContact CG-CE1 4.48Å; R257-Y292 HydrophobicContact CG-CE2 3.57Å
258A89.3Confident87.7Confident44 Ų4436.5 Ų36.536%0.36420%0.201SC..Hα-helixtrans-68-47.7173.600000111.8L254 N255 I256 V260 V261 E262L254-A258 PolarHBondContact O-N 3.3Å; L254-A258 VanDerWaalsContact O-N 3.13Å; N255-A258 WeakPolarHBondContact O-CA 3.3Å; N255-A258 WeakPolarHBondContact O-CB 3.46Å; N255-A258 PolarHBondContact O-N 3.47Å; I256-A258 VanDerWaalsContact C-N 3.28Å; I256-A258 PolarHBondContact O-N 3.46Å; A258-V260 VanDerWaalsContact C-N 3.31Å; A258-V260 PolarHBondContact O-N 3.23Å; A258-V261 WeakPolarHBondContact O-CA 3.48Å; A258-V261 WeakPolarHBondContact O-CB 3.36Å; A258-V261 PolarHBondContact O-N 3.35Å; A258-E262 PolarHBondContact O-N 3.5Å
259M89.6Confident87.7Confident30 Ų3036.1 Ų36.115%0.14820%0.2CC..Hα-helixtrans-59.8-38.2178.1-69.3-170.5-70.600113R219 I222 N255 I256 V261 E262 E263R219-M259 HydrophobicContact CB-SD 4.15Å; R219-M259 HydrophobicContact CG-SD 4.32Å; I222-M259 HydrophobicContact CD1-CB 4.04Å; N255-M259 PolarHBondContact O-N 3.09Å; I256-M259 HydrophobicContact CD1-CE 3.78Å; I256-M259 HydrophobicContact CG1-CE 4.44Å; I256-M259 PolarHBondContact O-N 3.22Å; M259-V261 VanDerWaalsContact C-N 3.26Å; M259-V261 PolarHBondContact O-N 3.12Å; M259-E262 PolarHBondContact O-N 2.89Å; M259-E263 PolarHBondContact O-N 2.93Å
260V89.9Confident87.7Confident0 Ų035.7 Ų35.70%020%0.197CC..Hα-helixtrans-54.5-41.2170.9157.60000112I222 I256 A258 C264 H265 L269 W307I222-V260 HydrophobicContact CD1-CG2 3.97Å; I222-V260 HydrophobicContact CG1-CG2 4.12Å; I222-V260 HydrophobicContact CG2-CG2 4.37Å; I256-V260 WeakPolarHBondContact O-CG2 3.41Å; I256-V260 PolarHBondContact O-N 3.38Å; A258-V260 VanDerWaalsContact C-N 3.31Å; A258-V260 PolarHBondContact O-N 3.23Å; V260-C264 WeakPolarHBondContact O-CA 3.3Å; V260-C264 PolarHBondContact O-N 3.3Å; V260-C264 VanDerWaalsContact O-N 3.07Å; V260-H265 PolarHBondContact O-N 2.76Å; V260-L269 HydrophobicContact CG2-CD2 3.88Å; V260-L269 HydrophobicContact CG2-CG 4.34Å; V260-W307 HydrophobicContact CG1-CH2 3.92Å; V260-W307 HydrophobicContact CG1-CZ2 4.26Å
261V89.7Confident87.8Confident30 Ų3032.3 Ų32.318%0.18218%0.175CC..Hα-helixtrans-77.6-36.1179.9175.50000112.2R257 A258 M259 C264 Y292 L296 V304 W307R257-V261 WeakPolarHBondContact O-CG2 3.32Å; R257-V261 PolarHBondContact O-N 3.22Å; A258-V261 WeakPolarHBondContact O-CA 3.48Å; A258-V261 WeakPolarHBondContact O-CB 3.36Å; A258-V261 PolarHBondContact O-N 3.35Å; M259-V261 VanDerWaalsContact C-N 3.26Å; M259-V261 PolarHBondContact O-N 3.12Å; V261-C264 PolarHBondContact O-SG 3.49Å; V261-Y292 HydrophobicContact CG2-CE2 4.19Å; V261-Y292 WeakPolarHBondContact CG2-OH 3.3Å; V261-L296 HydrophobicContact CB-CD2 4.46Å; V261-L296 HydrophobicContact CG1-CD2 3.92Å; V261-L296 HydrophobicContact CG2-CD2 3.6Å; V261-V304 HydrophobicContact CG1-CG1 3.84Å; V261-V304 HydrophobicContact CG1-CG2 3.86Å; V261-W307 HydrophobicContact CG2-CZ3 4.43Å
262E88.9Confident87.8Confident135 Ų13528.7 Ų28.763%0.63115%0.15SC*.Hα-helixtrans-64.8-55.3177.3-70.9176.6175.200111.8A258 M259 C264 K303A258-E262 PolarHBondContact O-N 3.5Å; M259-E262 PolarHBondContact O-N 2.89Å; E262-C264 VanDerWaalsContact C-N 3.3Å; E262-C264 PolarHBondContact O-N 3.4Å; E262-K303 PolarHBondContact O-NZ 3.33Å
263E88.1Confident87.9Confident41 Ų4126.3 Ų26.319%0.19214%0.14CC..Hα-helixtrans-68.3-32.6180-62.5-68.5176.600110.9R219 I222 M259 H265 K303R219-E263 IonicContact NE-OE1 3.52Å; R219-E263 IonicContact NH2-OE1 2.76Å; I222-E263 HydrophobicContact CG2-CB 4.12Å; I222-E263 HydrophobicContact CG2-CG 4.26Å; M259-E263 PolarHBondContact O-N 2.93Å; E263-H265 PolarHBondContact O-CE1 3.44Å; E263-H265 PolarHBondContact O-ND1 3.44Å; E263-H265 IonicContact OE2-CE1 3.36Å; E263-K303 PolarHBondContact O-NZ 2.89Å
264C90.2Very high88Confident6 Ų626 Ų264%0.04114%0.137CC..THydrogen-bonded Turntrans6457.3-173.1-55.40000113.2V260 V261 E262 K303 W307V260-C264 WeakPolarHBondContact O-CA 3.3Å; V260-C264 PolarHBondContact O-N 3.3Å; V260-C264 VanDerWaalsContact O-N 3.07Å; V261-C264 PolarHBondContact O-SG 3.49Å; E262-C264 VanDerWaalsContact C-N 3.3Å; E262-C264 PolarHBondContact O-N 3.4Å; C264-K303 HydrophobicContact CB-CD 4.43Å; C264-K303 VanDerWaalsContact SG-CD 3.57Å; C264-K303 WeakPolarHBondContact SG-CE 3.42Å; C264-K303 PolarHBondContact SG-NZ 2.9Å; C264-W307 HydrophobicContact CB-CB 4.24Å; C264-W307 HydrophobicContact CB-CD2 3.85Å; C264-W307 HydrophobicContact CB-CE3 4.42Å; C264-W307 HydrophobicContact CB-CG 3.76Å; C264-W307 VanDerWaalsContact O-CD1 3.24Å; C264-W307 PolarHBondContact O-NE1 3.45Å
265H88.8Confident87.9Confident31 Ų3125.1 Ų25.114%0.14413%0.132CC..  trans-136.1157.3174.7-58.487.6000109.5I222 K223 G225 R227 V260 E263I222-H265 WeakPolarHBondContact O-CB 3.46Å; K223-H265 PolarHBondContact O-NE2 3.38Å; G225-H265 PolarHBondContact O-CD2 3.32Å; R227-H265 WeakPolarHBondContact CG-CD2 3.44Å; V260-H265 PolarHBondContact O-N 2.76Å; E263-H265 PolarHBondContact O-CE1 3.44Å; E263-H265 PolarHBondContact O-ND1 3.44Å; E263-H265 IonicContact OE2-CE1 3.36Å
266L85.3Confident87.6Confident1 Ų124 Ų241%0.00513%0.125CC..  trans51.757.8-179.8-52.3178.4000114.6E226 R238 L242 G268 L269E226-L266 PolarHBondContact O-N 3.27Å; R238-L266 HydrophobicContact CG-CD1 4.14Å; L242-L266 HydrophobicContact CD1-CD1 3.7Å; L266-G268 VanDerWaalsContact C-N 3.26Å; L266-G268 PolarHBondContact O-N 2.9Å; L266-L269 HydrophobicContact CB-CB 4.02Å; L266-L269 HydrophobicContact CD1-CD2 4.26Å; L266-L269 WeakPolarHBondContact O-CB 3.41Å; L266-L269 PolarHBondContact O-N 3.3Å
267P86.8Confident87.2Confident0 Ų028.1 Ų28.10%014%0.142CC..Hα-helixtrans-58.2-34.4-178.122.1-31.6000113.7L269 G270 V271 W307 F308 F311P267-L269 VanDerWaalsContact C-N 3.33Å; P267-L269 PolarHBondContact O-N 3.32Å; P267-G270 PolarHBondContact O-N 3.43Å; P267-V271 PolarHBondContact O-N 3.24Å; P267-W307 VanDerWaalsContact CA-CZ2 3.45Å; P267-W307 HydrophobicContact CB-CH2 4.06Å; P267-W307 HydrophobicContact CB-CZ2 3.55Å; P267-W307 HydrophobicContact CG-CZ2 4.24Å; P267-F308 HydrophobicContact CB-CD2 4.29Å; P267-F311 HydrophobicContact CB-CB 3.93Å; P267-F311 HydrophobicContact CB-CD1 3.99Å; P267-F311 HydrophobicContact CB-CD2 4.12Å; P267-F311 HydrophobicContact CB-CG 3.74Å; P267-F311 HydrophobicContact CG-CB 3.76Å; P267-F311 HydrophobicContact CG-CD1 4.46Å; P267-F311 HydrophobicContact CG-CD2 3.73Å; P267-F311 HydrophobicContact CG-CE2 4.46Å; P267-F311 HydrophobicContact CG-CG 3.73Å
268G86.3Confident86.1Confident2 Ų234.1 Ų34.12%0.02117%0.169CC..Hα-helixtrans-61.3-36.8175.500000113.2E230 L266 G270 V271 A272E230-G268 WeakPolarHBondContact OE1-CA 3.29Å; L266-G268 VanDerWaalsContact C-N 3.26Å; L266-G268 PolarHBondContact O-N 2.9Å; G268-G270 PolarHBondContact O-N 2.98Å; G268-V271 PolarHBondContact O-N 2.9Å; G268-A272 WeakPolarHBondContact O-CB 3.42Å; G268-A272 PolarHBondContact O-N 2.89Å
269L87.1Confident84.9Confident0 Ų034.5 Ų34.50%017%0.168CC..Hα-helixtrans-61.9-45.2177.317863000111.6T239 L242 V260 L266 P267 V271 A272 L273T239-L269 HydrophobicContact CG2-CB 4.06Å; T239-L269 HydrophobicContact CG2-CD1 4.06Å; L242-L269 HydrophobicContact CB-CD1 4.12Å; L242-L269 HydrophobicContact CB-CD2 3.73Å; L242-L269 HydrophobicContact CD1-CD2 3.53Å; L242-L269 HydrophobicContact CG-CD2 4.22Å; V260-L269 HydrophobicContact CG2-CD2 3.88Å; V260-L269 HydrophobicContact CG2-CG 4.34Å; L266-L269 HydrophobicContact CB-CB 4.02Å; L266-L269 HydrophobicContact CD1-CD2 4.26Å; L266-L269 WeakPolarHBondContact O-CB 3.41Å; L266-L269 PolarHBondContact O-N 3.3Å; P267-L269 VanDerWaalsContact C-N 3.33Å; P267-L269 PolarHBondContact O-N 3.32Å; L269-V271 PolarHBondContact O-N 3.47Å; L269-A272 PolarHBondContact O-N 3.01Å; L269-L273 HydrophobicContact CD1-CD1 3.94Å; L269-L273 HydrophobicContact CD1-CD2 4.34Å; L269-L273 HydrophobicContact CD1-CG 3.89Å; L269-L273 HydrophobicContact CG-CD1 3.93Å; L269-L273 HydrophobicContact CG-CG 4.29Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 WeakPolarHBondContact O-CG 3.29Å; L269-L273 PolarHBondContact O-N 3.2Å
270G86.7Confident83.1Confident0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-63.7-29.1178.700000113.4P267 G268 T274 Y292P267-G270 PolarHBondContact O-N 3.43Å; G268-G270 PolarHBondContact O-N 2.98Å; G270-T274 PolarHBondContact O-OG1 2.88Å; G270-Y292 WeakPolarHBondContact O-CE1 3.47Å
271V87.1Confident81.6Confident0 Ų045.4 Ų45.40%023%0.23CC..Hα-helixtrans-77.4-46.1172.3-1780000110.7P267 G268 L269 L273 T274 L275 L289 F308 F311 V325 M329P267-V271 PolarHBondContact O-N 3.24Å; G268-V271 PolarHBondContact O-N 2.9Å; L269-V271 PolarHBondContact O-N 3.47Å; V271-L273 PolarHBondContact O-N 3.39Å; V271-T274 CarbonylContact O-C 3.41Å; V271-T274 WeakPolarHBondContact O-CA 3.28Å; V271-T274 WeakPolarHBondContact O-CB 3.24Å; V271-T274 PolarHBondContact O-N 2.66Å; V271-L275 HydrophobicContact CG1-CD1 4.09Å; V271-L275 HydrophobicContact CG1-CG 4.42Å; V271-L275 WeakPolarHBondContact O-CG 3.05Å; V271-L275 PolarHBondContact O-N 3.25Å; V271-L289 HydrophobicContact CG1-CD1 4.34Å; V271-F308 HydrophobicContact CG2-CE2 3.73Å; V271-F308 HydrophobicContact CG2-CZ 3.87Å; V271-F311 HydrophobicContact CG2-CE1 4.34Å; V271-V325 HydrophobicContact CB-CG1 3.98Å; V271-V325 HydrophobicContact CG1-CG1 3.82Å; V271-M329 HydrophobicContact CG1-CB 3.9Å; V271-M329 HydrophobicContact CG1-CG 3.95Å; V271-M329 HydrophobicContact CG1-SD 4.08Å; V271-M329 HydrophobicContact CG2-SD 4.48Å
272A86.3Confident79.8Confident5 Ų549 Ų494%0.04126%0.264CS..Hα-helixtrans-57.5-49.6178.900000111.7G268 L269 T274 L275 D276 V325G268-A272 WeakPolarHBondContact O-CB 3.42Å; G268-A272 PolarHBondContact O-N 2.89Å; L269-A272 PolarHBondContact O-N 3.01Å; A272-T274 PolarHBondContact O-N 3.41Å; A272-T274 VanDerWaalsContact O-N 3.15Å; A272-L275 CarbonylContact O-C 3.4Å; A272-L275 WeakPolarHBondContact O-CA 3.42Å; A272-L275 WeakPolarHBondContact O-CB 3.35Å; A272-L275 PolarHBondContact O-N 3.06Å; A272-D276 VanDerWaalsContact O-CG 3.31Å; A272-D276 PolarHBondContact O-N 2.78Å; A272-V325 HydrophobicContact CB-CG1 3.96Å; A272-V325 HydrophobicContact CB-CG2 4.41Å
273L87.1Confident77.9Confident9 Ų950.1 Ų50.15%0.04727%0.274CS..Hα-helixtrans-60.3-25.6175.3-65.9174.5000113.2C246 I256 L269 V271 Y277C246-L273 HydrophobicContact CB-CD2 3.54Å; I256-L273 HydrophobicContact CB-CD1 4.24Å; I256-L273 HydrophobicContact CG2-CD1 3.61Å; L269-L273 HydrophobicContact CD1-CD1 3.94Å; L269-L273 HydrophobicContact CD1-CD2 4.34Å; L269-L273 HydrophobicContact CD1-CG 3.89Å; L269-L273 HydrophobicContact CG-CD1 3.93Å; L269-L273 HydrophobicContact CG-CG 4.29Å; L269-L273 WeakPolarHBondContact O-CB 3.43Å; L269-L273 WeakPolarHBondContact O-CG 3.29Å; L269-L273 PolarHBondContact O-N 3.2Å; V271-L273 PolarHBondContact O-N 3.39Å; L273-Y277 WeakPolarHBondContact O-CB 3.44Å; L273-Y277 PolarHBondContact O-N 2.93Å
274T87.2Confident76.5Confident6 Ų653.1 Ų53.14%0.03729%0.288CS..Hα-helixtrans-85-20.2175.2-55.10000112.7R257 G270 V271 A272 P288 L289 Y292R257-T274 WeakPolarHBondContact CD-OG1 3.39Å; R257-T274 PolarHBondContact NH1-OG1 2.91Å; R257-T274 VanDerWaalsContact NH1-OG1 3.1Å; G270-T274 PolarHBondContact O-OG1 2.88Å; V271-T274 CarbonylContact O-C 3.41Å; V271-T274 WeakPolarHBondContact O-CA 3.28Å; V271-T274 WeakPolarHBondContact O-CB 3.24Å; V271-T274 PolarHBondContact O-N 2.66Å; A272-T274 PolarHBondContact O-N 3.41Å; A272-T274 VanDerWaalsContact O-N 3.15Å; T274-P288 HydrophobicContact CG2-CB 4.4Å; T274-L289 HydrophobicContact CG2-CB 4.45Å; T274-L289 HydrophobicContact CG2-CD1 4.11Å; T274-Y292 HydrophobicContact CG2-CD1 4.11Å; T274-Y292 HydrophobicContact CG2-CG 4.31Å; T274-Y292 WeakPolarHBondContact OG1-CD1 3.2Å
275L84.9Confident75Confident49 Ų4956.4 Ų56.426%0.25732%0.315SS..Hα-helixtrans-85.2-33.3171.4-67.8170.6000112V271 A272 L289 V325 Q328 Q332V271-L275 HydrophobicContact CG1-CD1 4.09Å; V271-L275 HydrophobicContact CG1-CG 4.42Å; V271-L275 WeakPolarHBondContact O-CG 3.05Å; V271-L275 PolarHBondContact O-N 3.25Å; A272-L275 CarbonylContact O-C 3.4Å; A272-L275 WeakPolarHBondContact O-CA 3.42Å; A272-L275 WeakPolarHBondContact O-CB 3.35Å; A272-L275 PolarHBondContact O-N 3.06Å; L275-L289 HydrophobicContact CD2-CD1 4.05Å; L275-L289 HydrophobicContact CD2-CD2 3.82Å; L275-L289 HydrophobicContact CG-CD1 4.4Å; L275-V325 HydrophobicContact CD1-CG1 3.94Å; L275-Q328 HydrophobicContact CD1-CB 3.89Å; L275-Q332 HydrophobicContact CD2-CB 4.01Å; L275-Q332 HydrophobicContact CD2-CG 4.03Å
276D82.1Confident74.1Confident60 Ų6057 Ų5732%0.32132%0.321SS..Hα-helixtrans-73.4-28.8175.2-65.9-32.7000112R243 A272 K278R243-D276 IonicContact CZ-OD1 3.75Å; R243-D276 IonicContact CZ-OD2 2.71Å; R243-D276 IonicContact NE-OD1 2.74Å; R243-D276 IonicContact NE-OD2 3.72Å; R243-D276 PolarHBondContact NE-OD2 3.3Å; R243-D276 IonicContact NH2-OD1 2.8Å; R243-D276 PolarHBondContact NH2-OD1 2.56Å; R243-D276 IonicContact NH2-OD2 3.14Å; R243-D276 PolarHBondContact NH2-OD2 3.27Å; A272-D276 VanDerWaalsContact O-CG 3.31Å; A272-D276 PolarHBondContact O-N 2.78Å; D276-K278 PolarHBondContact O-N 3.49Å; D276-K278 VanDerWaalsContact O-N 3.14Å
277Y79.6Confident73.8Confident90 Ų9057.8 Ų57.835%0.35333%0.327SS..  trans-67.4107.2178.8-176.3-94.3000111.8L254 L273 P279 P288L254-Y277 HydrophobicContact CD1-CE2 4.19Å; L254-Y277 HydrophobicContact CD2-CD2 4.08Å; L254-Y277 HydrophobicContact CD2-CE2 4.15Å; L254-Y277 HydrophobicContact CG-CE2 4.33Å; L273-Y277 WeakPolarHBondContact O-CB 3.44Å; L273-Y277 PolarHBondContact O-N 2.93Å; Y277-P279 HydrophobicContact CE1-CB 4.15Å; Y277-P288 HydrophobicContact CD1-CG 4.48Å
278K67.4Low73.6Confident178 Ų17858.9 Ų58.977%0.77433%0.334SS*.  trans-93.2118.9169.8-64.6172.2-174.2170.50108.4D276D276-K278 PolarHBondContact O-N 3.49Å; D276-K278 VanDerWaalsContact O-N 3.14Å
279P64.2Low73.6Confident52 Ų5259 Ų5934%0.33833%0.334SS..  trans-70.6138.4173.329.2-33.3000110.5Y277 T281Y277-P279 HydrophobicContact CE1-CB 4.15Å; P279-T281 PolarHBondContact O-N 3.04Å
280D52.4Low73.5Confident166 Ų16659.2 Ų59.289%0.88834%0.335SS*.SBendtrans-69.4-11.4177.5-65.7-51.9000113.4
281T56.6Low73.5Confident92 Ų9262.2 Ų62.256%0.56436%0.356SS*.  trans-125.6139.417954.90000111.4P279P279-T281 PolarHBondContact O-N 3.04Å
282A53Low73.6Confident107 Ų10763.3 Ų63.388%0.88436%0.36SS*.SBendtrans-85.5-2.8-176.800000114.6E284A282-E284 PolarHBondContact O-N 3.3Å
283D48.8Very low73.8Confident158 Ų15863.1 Ų63.185%0.84536%0.358SS*.  trans-90.69.9-166.8-88.8-22.7000115.3A285D283-A285 PolarHBondContact O-N 3.22Å; D283-A285 VanDerWaalsContact O-N 3.15Å
284E58.1Low73.8Confident104 Ų10463.8 Ų63.849%0.48636%0.364SS..  trans-71.2110.3174.3-72.1-158.2148.700111.9A282 V286 P288A282-E284 PolarHBondContact O-N 3.3Å; E284-V286 PolarHBondContact O-N 3.35Å; E284-P288 WeakPolarHBondContact OE2-CD 3.47Å; E284-P288 WeakPolarHBondContact OE2-CG 3.49Å
285A59.3Low73.8Confident74 Ų7465.7 Ų65.761%0.61239%0.385SS*.SBendtrans-60.5-14.218000000115D283D283-A285 PolarHBondContact O-N 3.22Å; D283-A285 VanDerWaalsContact O-N 3.15Å
286V68.9Low73.9Confident44 Ų4463.8 Ų63.827%0.26738%0.375SS..SBendtrans-139.5130.1175.4179.80000108.4E284 V290 A376E284-V286 PolarHBondContact O-N 3.35Å; V286-V290 HydrophobicContact CG1-CB 3.84Å; V286-V290 HydrophobicContact CG1-CG1 3.64Å; V286-A376 HydrophobicContact CG1-CB 4.26Å; V286-A376 HydrophobicContact CG2-CB 4.08Å
287S80.4Confident74.1Confident18 Ų1861 Ų6113%0.12636%0.36CS..  trans-56.1141.8-178.8165.90000113.2L289 V290 S291 E336S287-L289 PolarHBondContact O-N 3.45Å; S287-L289 VanDerWaalsContact O-N 3.13Å; S287-L289 PolarHBondContact OG-N 2.86Å; S287-V290 PolarHBondContact O-N 3.1Å; S287-S291 PolarHBondContact O-N 3.39Å; S287-S291 PolarHBondContact O-OG 3.37Å; S287-E336 VanDerWaalsContact CB-CD 3.43Å; S287-E336 WeakPolarHBondContact CB-OE1 3.4Å; S287-E336 WeakPolarHBondContact CB-OE2 3.46Å; S287-E336 PolarHBondContact OG-OE1 3.03Å; S287-E336 PolarHBondContact OG-OE2 2.94Å
288P82.2Confident74.4Confident23 Ų2359.3 Ų59.315%0.14936%0.357CS..Hα-helixtrans-50.4-33.4171.7-29.233.8000114.2T274 Y277 E284 S291 Y292T274-P288 HydrophobicContact CG2-CB 4.4Å; Y277-P288 HydrophobicContact CD1-CG 4.48Å; E284-P288 WeakPolarHBondContact OE2-CD 3.47Å; E284-P288 WeakPolarHBondContact OE2-CG 3.49Å; P288-S291 WeakPolarHBondContact CA-OG 3.46Å; P288-S291 PolarHBondContact O-OG 2.87Å; P288-S291 VanDerWaalsContact O-OG 3.11Å; P288-Y292 WeakPolarHBondContact O-CB 3.49Å; P288-Y292 PolarHBondContact O-N 3.14Å; P288-Y292 VanDerWaalsContact O-N 3.08Å
289L86.2Confident75.1Confident4 Ų452.1 Ų52.12%0.02133%0.333CS..Hα-helixtrans-71.2-42.8176.8-171.867.1000111.4V271 T274 L275 S287 V293 M329 Q332 L333V271-L289 HydrophobicContact CG1-CD1 4.34Å; T274-L289 HydrophobicContact CG2-CB 4.45Å; T274-L289 HydrophobicContact CG2-CD1 4.11Å; L275-L289 HydrophobicContact CD2-CD1 4.05Å; L275-L289 HydrophobicContact CD2-CD2 3.82Å; L275-L289 HydrophobicContact CG-CD1 4.4Å; S287-L289 PolarHBondContact O-N 3.45Å; S287-L289 VanDerWaalsContact O-N 3.13Å; S287-L289 PolarHBondContact OG-N 2.86Å; L289-V293 HydrophobicContact CD1-CG2 4.27Å; L289-V293 WeakPolarHBondContact O-CG2 3.37Å; L289-V293 PolarHBondContact O-N 2.65Å; L289-M329 HydrophobicContact CD1-CG 4.19Å; L289-M329 HydrophobicContact CD2-CG 4.13Å; L289-M329 HydrophobicContact CG-CG 4.48Å; L289-Q332 HydrophobicContact CD2-CB 3.96Å; L289-Q332 HydrophobicContact CD2-CG 3.7Å; L289-L333 HydrophobicContact CD2-CD2 3.99Å; L289-L333 HydrophobicContact CD2-CG 3.97Å; L289-L333 HydrophobicContact CG-CD2 4.38Å
290V85.6Confident75.9Confident4 Ų456.5 Ų56.52%0.02436%0.359CS..Hα-helixtrans-68.1-41-179.8175.50000111V286 S287 S294 L333 A376 L377 L380V286-V290 HydrophobicContact CG1-CB 3.84Å; V286-V290 HydrophobicContact CG1-CG1 3.64Å; S287-V290 PolarHBondContact O-N 3.1Å; V290-S294 WeakPolarHBondContact O-CB 3.36Å; V290-S294 PolarHBondContact O-N 2.87Å; V290-S294 VanDerWaalsContact O-N 3.14Å; V290-S294 PolarHBondContact O-OG 2.93Å; V290-L333 HydrophobicContact CG2-CD2 3.78Å; V290-A376 HydrophobicContact CG1-CB 4.39Å; V290-L377 HydrophobicContact CG2-CD1 4Å; V290-L380 HydrophobicContact CB-CD2 4.21Å; V290-L380 HydrophobicContact CG1-CB 4.45Å; V290-L380 HydrophobicContact CG1-CD2 4.02Å; V290-L380 HydrophobicContact CG2-CD2 4.06Å
291S87.1Confident77.5Confident63 Ų6352.4 Ų52.444%0.44134%0.337SS..Hα-helixtrans-67.7-46.6177.1640000111.9S287 P288 S294 G295S287-S291 PolarHBondContact O-N 3.39Å; S287-S291 PolarHBondContact O-OG 3.37Å; P288-S291 WeakPolarHBondContact CA-OG 3.46Å; P288-S291 PolarHBondContact O-OG 2.87Å; P288-S291 VanDerWaalsContact O-OG 3.11Å; S291-S294 PolarHBondContact O-N 3.15Å; S291-G295 PolarHBondContact O-N 3.15Å
292Y89Confident78.9Confident24 Ų2451.6 Ų51.69%0.09434%0.336CS..Hα-helixtrans-60.6-55.2178.8177.9-118.8000112.7R257 V261 G270 T274 P288 S294 G295 L296R257-Y292 VanDerWaalsContact CD-CE2 3.49Å; R257-Y292 HydrophobicContact CG-CD2 4.34Å; R257-Y292 HydrophobicContact CG-CE1 4.48Å; R257-Y292 HydrophobicContact CG-CE2 3.57Å; V261-Y292 HydrophobicContact CG2-CE2 4.19Å; V261-Y292 WeakPolarHBondContact CG2-OH 3.3Å; G270-Y292 WeakPolarHBondContact O-CE1 3.47Å; T274-Y292 HydrophobicContact CG2-CD1 4.11Å; T274-Y292 HydrophobicContact CG2-CG 4.31Å; T274-Y292 WeakPolarHBondContact OG1-CD1 3.2Å; P288-Y292 WeakPolarHBondContact O-CB 3.49Å; P288-Y292 PolarHBondContact O-N 3.14Å; P288-Y292 VanDerWaalsContact O-N 3.08Å; Y292-S294 VanDerWaalsContact C-N 3.3Å; Y292-S294 PolarHBondContact O-N 3.27Å; Y292-G295 WeakPolarHBondContact O-CA 3.22Å; Y292-G295 PolarHBondContact O-N 3.39Å; Y292-L296 HydrophobicContact CD1-CD1 4.43Å; Y292-L296 HydrophobicContact CE1-CD1 3.86Å; Y292-L296 HydrophobicContact CE2-CD1 4.28Å; Y292-L296 HydrophobicContact CE2-CD2 4.13Å; Y292-L296 HydrophobicContact CE2-CG 4.29Å; Y292-L296 PolarHBondContact O-N 3.03Å; Y292-L296 VanDerWaalsContact O-N 3.12Å
293V89.4Confident80.6Confident0 Ų051.5 Ų51.50%032%0.315CS..Hα-helixtrans-67.5-32.3-177-176.40000111.6L289 G295 L296 L297 F308 M329 L380 L384L289-V293 HydrophobicContact CD1-CG2 4.27Å; L289-V293 WeakPolarHBondContact O-CG2 3.37Å; L289-V293 PolarHBondContact O-N 2.65Å; V293-G295 VanDerWaalsContact C-N 3.35Å; V293-L296 PolarHBondContact O-N 2.91Å; V293-L297 HydrophobicContact CG1-CD1 4.1Å; V293-L297 PolarHBondContact O-N 2.77Å; V293-F308 HydrophobicContact CG1-CE1 3.76Å; V293-F308 HydrophobicContact CG1-CZ 4.26Å; V293-F308 HydrophobicContact CG2-CZ 4.46Å; V293-M329 HydrophobicContact CG2-SD 4.12Å; V293-L380 HydrophobicContact CB-CD1 4.03Å; V293-L380 HydrophobicContact CG1-CD1 3.73Å; V293-L384 HydrophobicContact CG1-CD2 4.29Å
294S86.8Confident82.6Confident23 Ų2344.6 Ų44.616%0.16128%0.278CS..Hα-helixtrans-63.1-40.5170.8-63.20000111.9V290 S291 Y292 L297 L298V290-S294 WeakPolarHBondContact O-CB 3.36Å; V290-S294 PolarHBondContact O-N 2.87Å; V290-S294 VanDerWaalsContact O-N 3.14Å; V290-S294 PolarHBondContact O-OG 2.93Å; S291-S294 PolarHBondContact O-N 3.15Å; Y292-S294 VanDerWaalsContact C-N 3.3Å; Y292-S294 PolarHBondContact O-N 3.27Å; S294-L297 PolarHBondContact O-N 2.82Å; S294-L298 VanDerWaalsContact O-CB 3.26Å; S294-L298 WeakPolarHBondContact O-CB 3.44Å; S294-L298 PolarHBondContact O-N 3.1Å
295G87.1Confident84.1Confident46 Ų4642.8 Ų42.847%0.47427%0.267SS..Hα-helixtrans-59.7-44.3175.100000113.1S291 Y292 V293 L297 G299S291-G295 PolarHBondContact O-N 3.15Å; Y292-G295 WeakPolarHBondContact O-CA 3.22Å; Y292-G295 PolarHBondContact O-N 3.39Å; V293-G295 VanDerWaalsContact C-N 3.35Å; G295-L297 PolarHBondContact O-N 3.48Å; G295-G299 WeakPolarHBondContact O-CA 3.07Å; G295-G299 PolarHBondContact O-N 2.72Å
296L88.5Confident85.5Confident10 Ų1042.9 Ų42.95%0.05226%0.26CS..Hα-helixtrans-64.6-38.4178.7-60.3-178.1000113.4V261 Y292 V293 V304 F308V261-L296 HydrophobicContact CB-CD2 4.46Å; V261-L296 HydrophobicContact CG1-CD2 3.92Å; V261-L296 HydrophobicContact CG2-CD2 3.6Å; Y292-L296 HydrophobicContact CD1-CD1 4.43Å; Y292-L296 HydrophobicContact CE1-CD1 3.86Å; Y292-L296 HydrophobicContact CE2-CD1 4.28Å; Y292-L296 HydrophobicContact CE2-CD2 4.13Å; Y292-L296 HydrophobicContact CE2-CG 4.29Å; Y292-L296 PolarHBondContact O-N 3.03Å; Y292-L296 VanDerWaalsContact O-N 3.12Å; V293-L296 PolarHBondContact O-N 2.91Å; L296-V304 HydrophobicContact CB-CG1 4.4Å; L296-V304 HydrophobicContact CD2-CG1 3.77Å; L296-F308 HydrophobicContact CB-CD1 4.5Å; L296-F308 HydrophobicContact CB-CG 4.41Å; L296-F308 HydrophobicContact CD1-CD1 4.25Å; L296-F308 HydrophobicContact CD1-CD2 3.54Å; L296-F308 HydrophobicContact CD1-CE1 4.37Å; L296-F308 HydrophobicContact CD1-CE2 3.66Å; L296-F308 HydrophobicContact CD1-CG 3.85Å; L296-F308 HydrophobicContact CD1-CZ 4.09Å
297L86.7Confident86.6Confident0 Ų041.5 Ų41.50%025%0.25CS..Hα-helixtrans-91.4-34-174.4-67.6176000113.9V293 S294 G295 R305 F308 A383 L384 I387 A388V293-L297 HydrophobicContact CG1-CD1 4.1Å; V293-L297 PolarHBondContact O-N 2.77Å; S294-L297 PolarHBondContact O-N 2.82Å; G295-L297 PolarHBondContact O-N 3.48Å; L297-R305 WeakPolarHBondContact O-CD 3.34Å; L297-F308 HydrophobicContact CD2-CD1 4.08Å; L297-F308 HydrophobicContact CG-CD1 4.32Å; L297-A383 HydrophobicContact CB-CB 3.98Å; L297-A383 HydrophobicContact CD1-CB 4.01Å; L297-L384 HydrophobicContact CD1-CD2 3.82Å; L297-L384 HydrophobicContact CD1-CG 4.11Å; L297-I387 HydrophobicContact CD2-CG2 4.38Å; L297-A388 HydrophobicContact CD1-CB 4.34Å; L297-A388 HydrophobicContact CD2-CB 4.09Å
298L84.4Confident87.1Confident55 Ų5540.7 Ų40.729%0.28824%0.244SC..Hα-helixtrans-97.6-8.1-178.7-57179.6000113.4S294 R379 A383 I387 M494S294-L298 VanDerWaalsContact O-CB 3.26Å; S294-L298 WeakPolarHBondContact O-CB 3.44Å; S294-L298 PolarHBondContact O-N 3.1Å; L298-R379 HydrophobicContact CD1-CG 4.42Å; L298-A383 HydrophobicContact CD2-CB 3.91Å; L298-A383 HydrophobicContact CG-CB 4.31Å; L298-I387 HydrophobicContact CD2-CD1 4.17Å; L298-M494 HydrophobicContact CD1-CE 4.26Å; L298-M494 HydrophobicContact CD2-CB 3.96Å; L298-M494 HydrophobicContact CD2-CE 3.73Å; L298-M494 HydrophobicContact CD2-SD 4.03Å
299G82.4Confident87.4Confident28 Ų2839.9 Ų39.929%0.28924%0.24SC..SBendtrans-61.2161.6174.200000113.7G295 N301 R305G295-G299 WeakPolarHBondContact O-CA 3.07Å; G295-G299 PolarHBondContact O-N 2.72Å; G299-N301 PolarHBondContact O-N 2.7Å; G299-R305 PolarHBondContact O-NH1 3.08Å
300T80.8Confident87.4Confident143 Ų14343.8 Ų43.888%0.87726%0.259SS*.SBendtrans-67.1-36.7-178.549.90000112.8S302 R305T300-S302 PolarHBondContact O-N 3.48Å; T300-R305 PolarHBondContact O-NH2 3.11Å
301N86.3Confident87.5Confident81 Ų8144.1 Ų44.143%0.43326%0.26SS..  trans-65.6112.9-171.7-170.6-21.8000113.3G299 K303 V304 R305G299-N301 PolarHBondContact O-N 2.7Å; N301-K303 VanDerWaalsContact OD1-CB 3.29Å; N301-K303 WeakPolarHBondContact OD1-CB 3.37Å; N301-K303 PolarHBondContact OD1-N 3.01Å; N301-V304 HydrophobicContact CB-CB 4.33Å; N301-V304 HydrophobicContact CB-CG2 4.25Å; N301-V304 PolarHBondContact OD1-N 3.05Å; N301-R305 WeakPolarHBondContact O-CB 3.32Å; N301-R305 PolarHBondContact O-N 2.83Å
302S86Confident87.6Confident75 Ų7541.1 Ų41.152%0.52424%0.239SC..Hα-helixtrans-71.4-28.6179.153.50000114.1T300 T306T300-S302 PolarHBondContact O-N 3.48Å; S302-T306 VanDerWaalsContact O-CB 3.29Å; S302-T306 WeakPolarHBondContact O-CB 3.49Å; S302-T306 PolarHBondContact O-N 3.45Å; S302-T306 PolarHBondContact O-OG1 3.5Å
303K89.1Confident87.5Confident105 Ų10545.4 Ų45.446%0.45726%0.255SS..Hα-helixtrans-61.6-56.9175.4-177.2-160.2174-151.60109.5E262 E263 C264 N301 T306 W307E262-K303 PolarHBondContact O-NZ 3.33Å; E263-K303 PolarHBondContact O-NZ 2.89Å; C264-K303 HydrophobicContact CB-CD 4.43Å; C264-K303 VanDerWaalsContact SG-CD 3.57Å; C264-K303 WeakPolarHBondContact SG-CE 3.42Å; C264-K303 PolarHBondContact SG-NZ 2.9Å; N301-K303 VanDerWaalsContact OD1-CB 3.29Å; N301-K303 WeakPolarHBondContact OD1-CB 3.37Å; N301-K303 PolarHBondContact OD1-N 3.01Å; K303-T306 PolarHBondContact O-N 3Å; K303-W307 VanDerWaalsContact O-CB 3.31Å; K303-W307 WeakPolarHBondContact O-CB 3.5Å; K303-W307 PolarHBondContact O-N 3.35Å
304V90Very high87.2Confident12 Ų1248.3 Ų48.37%0.07327%0.27CS..Hα-helixtrans-58.2-51179.9174.50000111.1V261 L296 N301 T306 W307 F308V261-V304 HydrophobicContact CG1-CG1 3.84Å; V261-V304 HydrophobicContact CG1-CG2 3.86Å; L296-V304 HydrophobicContact CB-CG1 4.4Å; L296-V304 HydrophobicContact CD2-CG1 3.77Å; N301-V304 HydrophobicContact CB-CB 4.33Å; N301-V304 HydrophobicContact CB-CG2 4.25Å; N301-V304 PolarHBondContact OD1-N 3.05Å; V304-T306 VanDerWaalsContact C-N 3.3Å; V304-T306 PolarHBondContact O-N 3.29Å; V304-W307 HydrophobicContact CG1-CE3 4.27Å; V304-W307 HydrophobicContact CG1-CZ3 4.41Å; V304-W307 PolarHBondContact O-N 3.1Å; V304-F308 PolarHBondContact O-N 3.34Å
305R89.9Confident86.8Confident67 Ų6748.2 Ų48.225%0.25327%0.273SS..Hα-helixtrans-56.9-41.9178.3172.2172.550.2-113.7-6.7112.2L297 G299 T300 N301 S309 I387L297-R305 WeakPolarHBondContact O-CD 3.34Å; G299-R305 PolarHBondContact O-NH1 3.08Å; T300-R305 PolarHBondContact O-NH2 3.11Å; N301-R305 WeakPolarHBondContact O-CB 3.32Å; N301-R305 PolarHBondContact O-N 2.83Å; R305-S309 WeakPolarHBondContact O-CB 3.43Å; R305-S309 PolarHBondContact O-N 3.47Å; R305-S309 PolarHBondContact O-OG 3.45Å; R305-I387 VanDerWaalsContact CD-CG2 3.48Å; R305-I387 HydrophobicContact CG-CG2 3.63Å
306T88.8Confident86.4Confident76 Ų7648.4 Ų48.447%0.46626%0.262SS..Hα-helixtrans-71.4-46.9-179.3-54.10000111.3S302 K303 V304 F308 S309 M310S302-T306 VanDerWaalsContact O-CB 3.29Å; S302-T306 WeakPolarHBondContact O-CB 3.49Å; S302-T306 PolarHBondContact O-N 3.45Å; S302-T306 PolarHBondContact O-OG1 3.5Å; K303-T306 PolarHBondContact O-N 3Å; V304-T306 VanDerWaalsContact C-N 3.3Å; V304-T306 PolarHBondContact O-N 3.29Å; T306-F308 PolarHBondContact O-N 2.86Å; T306-S309 PolarHBondContact O-N 2.95Å; T306-M310 HydrophobicContact CG2-SD 4.21Å; T306-M310 WeakPolarHBondContact O-CG 3.36Å; T306-M310 PolarHBondContact O-N 2.94Å
307W91.8Very high85.7Confident15 Ų1554.9 Ų54.96%0.05729%0.292CS..Hα-helixtrans-53.8-51.5175.6162.178.4000112.4R227 Q228 V260 V261 C264 P267 K303 V304 M310 F311R227-W307 VanDerWaalsContact O-CD1 3.24Å; R227-W307 PolarHBondContact O-NE1 3.42Å; R227-W307 VanDerWaalsContact O-NE1 3.14Å; Q228-W307 PolarHBondContact NE2-O 2.93Å; V260-W307 HydrophobicContact CG1-CH2 3.92Å; V260-W307 HydrophobicContact CG1-CZ2 4.26Å; V261-W307 HydrophobicContact CG2-CZ3 4.43Å; C264-W307 HydrophobicContact CB-CB 4.24Å; C264-W307 HydrophobicContact CB-CD2 3.85Å; C264-W307 HydrophobicContact CB-CE3 4.42Å; C264-W307 HydrophobicContact CB-CG 3.76Å; C264-W307 VanDerWaalsContact O-CD1 3.24Å; C264-W307 PolarHBondContact O-NE1 3.45Å; P267-W307 VanDerWaalsContact CA-CZ2 3.45Å; P267-W307 HydrophobicContact CB-CH2 4.06Å; P267-W307 HydrophobicContact CB-CZ2 3.55Å; P267-W307 HydrophobicContact CG-CZ2 4.24Å; K303-W307 VanDerWaalsContact O-CB 3.31Å; K303-W307 WeakPolarHBondContact O-CB 3.5Å; K303-W307 PolarHBondContact O-N 3.35Å; V304-W307 HydrophobicContact CG1-CE3 4.27Å; V304-W307 HydrophobicContact CG1-CZ3 4.41Å; V304-W307 PolarHBondContact O-N 3.1Å; W307-M310 PolarHBondContact O-N 3.38Å; W307-F311 PolarHBondContact O-N 2.85Å
308F90.8Very high84.7Confident0 Ų061 Ų610%032%0.315CS..Hα-helixtrans-70.2-33.7178.5-162.5-98.2000112.1P267 V271 V293 L296 L297 V304 T306 M310 F311 I312 M329P267-F308 HydrophobicContact CB-CD2 4.29Å; V271-F308 HydrophobicContact CG2-CE2 3.73Å; V271-F308 HydrophobicContact CG2-CZ 3.87Å; V293-F308 HydrophobicContact CG1-CE1 3.76Å; V293-F308 HydrophobicContact CG1-CZ 4.26Å; V293-F308 HydrophobicContact CG2-CZ 4.46Å; L296-F308 HydrophobicContact CB-CD1 4.5Å; L296-F308 HydrophobicContact CB-CG 4.41Å; L296-F308 HydrophobicContact CD1-CD1 4.25Å; L296-F308 HydrophobicContact CD1-CD2 3.54Å; L296-F308 HydrophobicContact CD1-CE1 4.37Å; L296-F308 HydrophobicContact CD1-CE2 3.66Å; L296-F308 HydrophobicContact CD1-CG 3.85Å; L296-F308 HydrophobicContact CD1-CZ 4.09Å; L297-F308 HydrophobicContact CD2-CD1 4.08Å; L297-F308 HydrophobicContact CG-CD1 4.32Å; V304-F308 PolarHBondContact O-N 3.34Å; T306-F308 PolarHBondContact O-N 2.86Å; F308-M310 PolarHBondContact O-N 3.37Å; F308-F311 HydrophobicContact CD2-CD1 4.06Å; F308-F311 AromaticContact CE2-CD1 3.76Å; F308-F311 HydrophobicContact CE2-CD1 3.76Å; F308-F311 AromaticContact CE2-CE1 3.99Å; F308-F311 HydrophobicContact CE2-CE1 3.99Å; F308-F311 HydrophobicContact CZ-CD1 4.08Å; F308-F311 HydrophobicContact CZ-CE1 4.15Å; F308-F311 WeakPolarHBondContact O-CB 3.32Å; F308-F311 PolarHBondContact O-N 2.87Å; F308-I312 HydrophobicContact CD1-CG1 4.19Å; F308-I312 HydrophobicContact CE1-CD1 3.85Å; F308-I312 HydrophobicContact CE1-CG1 3.97Å; F308-I312 HydrophobicContact CZ-CD1 4.17Å; F308-I312 WeakPolarHBondContact O-CG1 3.39Å; F308-I312 PolarHBondContact O-N 3.29Å; F308-M329 HydrophobicContact CZ-SD 4.49Å
309S88.7Confident83.2Confident7 Ų768.1 Ų68.15%0.04934%0.344CS..Hα-helixtrans-64.1-38.3173.8-64.40000112.7R305 T306 R313R305-S309 WeakPolarHBondContact O-CB 3.43Å; R305-S309 PolarHBondContact O-N 3.47Å; R305-S309 PolarHBondContact O-OG 3.45Å; T306-S309 PolarHBondContact O-N 2.95Å; S309-R313 VanDerWaalsContact O-CG 3.23Å; S309-R313 WeakPolarHBondContact O-CG 3.04Å; S309-R313 PolarHBondContact O-N 3.36Å; S309-R313 VanDerWaalsContact O-N 3.07Å
310M87.4Confident81.8Confident86 Ų8678.4 Ų78.442%0.42437%0.374SS..Hα-helixtrans-68.2-38.6177.1-70.6178.265.800111.6Q228 T306 W307 F308 I312 R313 N314Q228-M310 VanDerWaalsContact OE1-C 3.23Å; T306-M310 HydrophobicContact CG2-SD 4.21Å; T306-M310 WeakPolarHBondContact O-CG 3.36Å; T306-M310 PolarHBondContact O-N 2.94Å; W307-M310 PolarHBondContact O-N 3.38Å; F308-M310 PolarHBondContact O-N 3.37Å; M310-I312 PolarHBondContact O-N 3.24Å; M310-R313 PolarHBondContact O-N 2.96Å; M310-R313 VanDerWaalsContact O-N 3.14Å; M310-N314 WeakPolarHBondContact O-CB 3.32Å; M310-N314 VanDerWaalsContact O-CG 3.24Å; M310-N314 PolarHBondContact O-N 3.35Å; M310-N314 PolarHBondContact O-OD1 2.97Å
311F87.7Confident80.6Confident10 Ų1076.1 Ų76.14%0.04435%0.353CS..Hα-helixtrans-54.5-53.3171.7164.2-115.4000112.2Q228 E230 P267 V271 W307 F308 R313 N314 G315 L326Q228-F311 VanDerWaalsContact OE1-N 3.17Å; E230-F311 HydrophobicContact CG-CE2 4.38Å; E230-F311 WeakPolarHBondContact OE1-CE2 3.3Å; E230-F311 VanDerWaalsContact OE1-CZ 3.22Å; E230-F311 WeakPolarHBondContact OE1-CZ 3.47Å; P267-F311 HydrophobicContact CB-CB 3.93Å; P267-F311 HydrophobicContact CB-CD1 3.99Å; P267-F311 HydrophobicContact CB-CD2 4.12Å; P267-F311 HydrophobicContact CB-CG 3.74Å; P267-F311 HydrophobicContact CG-CB 3.76Å; P267-F311 HydrophobicContact CG-CD1 4.46Å; P267-F311 HydrophobicContact CG-CD2 3.73Å; P267-F311 HydrophobicContact CG-CE2 4.46Å; P267-F311 HydrophobicContact CG-CG 3.73Å; V271-F311 HydrophobicContact CG2-CE1 4.34Å; W307-F311 PolarHBondContact O-N 2.85Å; F308-F311 HydrophobicContact CD2-CD1 4.06Å; F308-F311 AromaticContact CE2-CD1 3.76Å; F308-F311 HydrophobicContact CE2-CD1 3.76Å; F308-F311 AromaticContact CE2-CE1 3.99Å; F308-F311 HydrophobicContact CE2-CE1 3.99Å; F308-F311 HydrophobicContact CZ-CD1 4.08Å; F308-F311 HydrophobicContact CZ-CE1 4.15Å; F308-F311 WeakPolarHBondContact O-CB 3.32Å; F308-F311 PolarHBondContact O-N 2.87Å; F311-R313 VanDerWaalsContact C-N 3.28Å; F311-R313 PolarHBondContact O-N 3.45Å; F311-N314 PolarHBondContact O-N 3.34Å; F311-G315 PolarHBondContact O-N 2.98Å; F311-G315 VanDerWaalsContact O-N 3.1Å; F311-L326 HydrophobicContact CZ-CB 4.18Å
312I87.8Confident79.2Confident0 Ų076.4 Ų76.40%036%0.361CS..Hα-helixtrans-58.4-39.9176.3-58.2-58000111.6F308 M310 Q316 L326 M329 A388 L390F308-I312 HydrophobicContact CD1-CG1 4.19Å; F308-I312 HydrophobicContact CE1-CD1 3.85Å; F308-I312 HydrophobicContact CE1-CG1 3.97Å; F308-I312 HydrophobicContact CZ-CD1 4.17Å; F308-I312 WeakPolarHBondContact O-CG1 3.39Å; F308-I312 PolarHBondContact O-N 3.29Å; M310-I312 PolarHBondContact O-N 3.24Å; I312-Q316 WeakPolarHBondContact O-CB 3.12Å; I312-Q316 VanDerWaalsContact O-CG 3.31Å; I312-Q316 WeakPolarHBondContact O-CG 3.31Å; I312-Q316 PolarHBondContact O-N 3.44Å; I312-L326 HydrophobicContact CD1-CD1 3.49Å; I312-L326 VanDerWaalsContact CD1-CD1 3.49Å; I312-M329 HydrophobicContact CD1-CE 3.97Å; I312-A388 HydrophobicContact CB-CB 4.06Å; I312-A388 HydrophobicContact CG1-CB 4.04Å; I312-A388 HydrophobicContact CG2-CB 4.13Å; I312-L390 HydrophobicContact CG2-CB 4Å; I312-L390 HydrophobicContact CG2-CD1 3.84Å; I312-L390 HydrophobicContact CG2-CG 4.5Å
313R86.4Confident78.1Confident115 Ų11576.3 Ų76.343%0.43436%0.361SS..Hα-helixtrans-70.6-32.8-179.3-72.5171.9-169.1-164.64.8113.7S309 M310 F311 Q317 I387 A388S309-R313 VanDerWaalsContact O-CG 3.23Å; S309-R313 WeakPolarHBondContact O-CG 3.04Å; S309-R313 PolarHBondContact O-N 3.36Å; S309-R313 VanDerWaalsContact O-N 3.07Å; M310-R313 PolarHBondContact O-N 2.96Å; M310-R313 VanDerWaalsContact O-N 3.14Å; F311-R313 VanDerWaalsContact C-N 3.28Å; F311-R313 PolarHBondContact O-N 3.45Å; R313-Q317 WeakPolarHBondContact O-CG 3.43Å; R313-Q317 PolarHBondContact O-NE2 3.07Å; R313-I387 PolarHBondContact NH2-O 3.17Å; R313-A388 WeakPolarHBondContact CG-O 3.35Å; R313-A388 PolarHBondContact NE-O 3.44Å
314N84.2Confident77.6Confident60 Ų6072.1 Ų72.132%0.32135%0.345SS..Hα-helixtrans-76.6-52.9180-69.4-5000110.1M310 F311 Q316 Q317M310-N314 WeakPolarHBondContact O-CB 3.32Å; M310-N314 VanDerWaalsContact O-CG 3.24Å; M310-N314 PolarHBondContact O-N 3.35Å; M310-N314 PolarHBondContact O-OD1 2.97Å; F311-N314 PolarHBondContact O-N 3.34Å; N314-Q316 VanDerWaalsContact C-N 3.31Å; N314-Q316 PolarHBondContact O-N 2.83Å; N314-Q317 PolarHBondContact O-N 2.75Å; N314-Q317 VanDerWaalsContact O-N 3.11Å
315G77.4Confident77.2Confident22 Ų2272.4 Ų72.423%0.22735%0.346CS..Hα-helixtrans-61.3-34.5-177.900000113.7F311 Q317 R318F311-G315 PolarHBondContact O-N 2.98Å; F311-G315 VanDerWaalsContact O-N 3.1Å; G315-Q317 PolarHBondContact O-N 3.12Å; G315-R318 PolarHBondContact O-N 3.04Å
316Q79.8Confident76.9Confident50 Ų5069.6 Ų69.623%0.23434%0.336CS..THydrogen-bonded Turntrans-71.7-10178.475.6176-17.900115.2I312 N314 G389I312-Q316 WeakPolarHBondContact O-CB 3.12Å; I312-Q316 VanDerWaalsContact O-CG 3.31Å; I312-Q316 WeakPolarHBondContact O-CG 3.31Å; I312-Q316 PolarHBondContact O-N 3.44Å; N314-Q316 VanDerWaalsContact C-N 3.31Å; N314-Q316 PolarHBondContact O-N 2.83Å; Q316-G389 PolarHBondContact NE2-O 2.85Å
317Q73.5Confident76.7Confident145 Ų14571.7 Ų71.768%0.67834%0.336SS*.THydrogen-bonded Turntrans-84.4-20.9178.1-72.6174.967.900112.7R313 N314 G315R313-Q317 WeakPolarHBondContact O-CG 3.43Å; R313-Q317 PolarHBondContact O-NE2 3.07Å; N314-Q317 PolarHBondContact O-N 2.75Å; N314-Q317 VanDerWaalsContact O-N 3.11Å; G315-Q317 PolarHBondContact O-N 3.12Å
318R66.4Low76.3Confident130 Ų13074.3 Ų74.349%0.49135%0.348SS..SBendtrans-99.3134.6-175.8-59.3179.5-174.7170.110.2109E231 G315E231-R318 WeakPolarHBondContact OE1-CD 3.11Å; E231-R318 IonicContact OE1-NH1 2.66Å; E231-R318 WeakPolarHBondContact OE2-CD 3.46Å; E231-R318 IonicContact OE2-CZ 3.21Å; E231-R318 IonicContact OE2-NE 2.65Å; E231-R318 IonicContact OE2-NH1 2.91Å; E231-R318 PolarHBondContact OE2-NH1 2.74Å; G315-R318 PolarHBondContact O-N 3.04Å
319K51.9Low76.2Confident204 Ų20474.3 Ų74.389%0.88735%0.348SS*.  trans-91.2118.2-166.7-76.9-175.2178.1178.60112.7
320R53.7Low76.2Confident243 Ų24375.8 Ų75.892%0.91735%0.353SS*.  trans53.256.5157.6-66.8-174.4171.4-178.7-3.2116.2
321E54.8Low76.1Confident95 Ų9576.3 Ų76.344%0.44435%0.35SS..  trans-88.3113.9146.7-75.7-162.2176.700108.6R236 S323 S324R236-E321 IonicContact CZ-OE2 3.19Å; R236-E321 IonicContact NH1-OE2 2.69Å; R236-E321 IonicContact NH2-OE2 3.52Å; R236-E321 PolarHBondContact NH2-OE2 3.36Å; E321-S323 PolarHBondContact O-N 3.14Å; E321-S324 PolarHBondContact O-N 3.39Å
322S58Low76Confident87 Ų8779.5 Ų79.561%0.60837%0.365SS*.THydrogen-bonded Turntrans-69.5-5.8175.142.60000113.5
323S61.4Low76Confident74 Ų7479.6 Ų79.652%0.51737%0.366SS..THydrogen-bonded Turntrans-87.9-14.9176.938.60000115E321 Q328E321-S323 PolarHBondContact O-N 3.14Å; S323-Q328 PolarHBondContact O-NE2 3.12Å
324S78.9Confident76Confident17 Ų1774.4 Ų74.412%0.11935%0.347CS..SBendtrans-70.1141.4179.1168.10000112E230 E321 L326 W327 Q328E230-S324 WeakPolarHBondContact OE2-CA 3.49Å; E230-S324 WeakPolarHBondContact OE2-CB 3.49Å; E230-S324 PolarHBondContact OE2-OG 3.29Å; E321-S324 PolarHBondContact O-N 3.39Å; S324-L326 PolarHBondContact O-N 3.26Å; S324-L326 PolarHBondContact OG-N 3.07Å; S324-W327 WeakPolarHBondContact O-CB 3.39Å; S324-W327 PolarHBondContact O-N 3.09Å; S324-Q328 PolarHBondContact O-N 2.97Å; S324-Q328 VanDerWaalsContact O-N 3.13Å
325V80.8Confident76.1Confident17 Ų1775.5 Ų75.510%0.10335%0.352CS..Hα-helixtrans-67.3-30.1179.3-161.60000110.6E230 V271 A272 L275 W327 Q328 M329E230-V325 WeakPolarHBondContact OE1-CB 3.44Å; E230-V325 PolarHBondContact OE2-N 3.11Å; V271-V325 HydrophobicContact CB-CG1 3.98Å; V271-V325 HydrophobicContact CG1-CG1 3.82Å; A272-V325 HydrophobicContact CB-CG1 3.96Å; A272-V325 HydrophobicContact CB-CG2 4.41Å; L275-V325 HydrophobicContact CD1-CG1 3.94Å; V325-W327 VanDerWaalsContact C-N 3.3Å; V325-W327 PolarHBondContact O-N 3.29Å; V325-Q328 PolarHBondContact O-N 3.46Å; V325-M329 WeakPolarHBondContact O-CB 3.48Å; V325-M329 PolarHBondContact O-N 2.82Å
326L84.6Confident76.5Confident8 Ų875.1 Ų75.14%0.04235%0.345CS..Hα-helixtrans-60.9-37.7170.8179.658.8000112.3F311 I312 S324 M329 R330F311-L326 HydrophobicContact CZ-CB 4.18Å; I312-L326 HydrophobicContact CD1-CD1 3.49Å; I312-L326 VanDerWaalsContact CD1-CD1 3.49Å; S324-L326 PolarHBondContact O-N 3.26Å; S324-L326 PolarHBondContact OG-N 3.07Å; L326-M329 HydrophobicContact CD1-CE 3.89Å; L326-R330 WeakPolarHBondContact O-CG 3.23Å; L326-R330 PolarHBondContact O-N 2.95Å; L326-R330 VanDerWaalsContact O-N 3.1Å
327W84.1Confident76.7Confident121 Ų12172.8 Ų72.846%0.45833%0.333SS..Hα-helixtrans-69.6-43.1175.7-173.687.3000111.2S324 V325 M329 R330 R331S324-W327 WeakPolarHBondContact O-CB 3.39Å; S324-W327 PolarHBondContact O-N 3.09Å; V325-W327 VanDerWaalsContact C-N 3.3Å; V325-W327 PolarHBondContact O-N 3.29Å; W327-M329 PolarHBondContact O-N 3.06Å; W327-R330 PolarHBondContact O-N 3.42Å; W327-R331 HydrophobicContact CE3-CB 4.42Å; W327-R331 HydrophobicContact CH2-CB 4.18Å; W327-R331 HydrophobicContact CH2-CG 4.01Å; W327-R331 HydrophobicContact CZ2-CB 4.47Å; W327-R331 HydrophobicContact CZ3-CB 4.15Å; W327-R331 HydrophobicContact CZ3-CG 4.3Å; W327-R331 WeakPolarHBondContact O-CB 3.16Å; W327-R331 PolarHBondContact O-N 3.44Å
328Q84.1Confident77.3Confident69 Ų6969.2 Ų69.232%0.32232%0.321SS..Hα-helixtrans-60-44.6176-63.3168.411.900111.5L275 S323 S324 V325 R330 R331 Q332L275-Q328 HydrophobicContact CD1-CB 3.89Å; S323-Q328 PolarHBondContact O-NE2 3.12Å; S324-Q328 PolarHBondContact O-N 2.97Å; S324-Q328 VanDerWaalsContact O-N 3.13Å; V325-Q328 PolarHBondContact O-N 3.46Å; Q328-R330 PolarHBondContact O-N 2.89Å; Q328-R331 PolarHBondContact O-N 3.48Å; Q328-Q332 WeakPolarHBondContact O-CB 3.44Å; Q328-Q332 PolarHBondContact O-N 3.2Å
329M88.4Confident78.1Confident0 Ų066.5 Ų66.50%033%0.327CS..Hα-helixtrans-58.3-47.7174.7-170.6-16881.800112V271 L289 V293 F308 I312 V325 L326 W327 Q332 L333 L384V271-M329 HydrophobicContact CG1-CB 3.9Å; V271-M329 HydrophobicContact CG1-CG 3.95Å; V271-M329 HydrophobicContact CG1-SD 4.08Å; V271-M329 HydrophobicContact CG2-SD 4.48Å; L289-M329 HydrophobicContact CD1-CG 4.19Å; L289-M329 HydrophobicContact CD2-CG 4.13Å; L289-M329 HydrophobicContact CG-CG 4.48Å; V293-M329 HydrophobicContact CG2-SD 4.12Å; F308-M329 HydrophobicContact CZ-SD 4.49Å; I312-M329 HydrophobicContact CD1-CE 3.97Å; V325-M329 WeakPolarHBondContact O-CB 3.48Å; V325-M329 PolarHBondContact O-N 2.82Å; L326-M329 HydrophobicContact CD1-CE 3.89Å; W327-M329 PolarHBondContact O-N 3.06Å; M329-Q332 PolarHBondContact O-N 3.28Å; M329-L333 HydrophobicContact CE-CD1 4.21Å; M329-L333 HydrophobicContact CG-CD1 4.2Å; M329-L333 WeakPolarHBondContact O-CG 3.3Å; M329-L333 PolarHBondContact O-N 2.86Å; M329-L384 HydrophobicContact CE-CD2 4.39Å
330R88.4Confident79.6Confident38 Ų3857.1 Ų57.114%0.14329%0.286CS..Hα-helixtrans-63-42.7176.9-72.6179.477.3150.313.6111.6L326 W327 Q328 Q332 L333 L334 R391 E396L326-R330 WeakPolarHBondContact O-CG 3.23Å; L326-R330 PolarHBondContact O-N 2.95Å; L326-R330 VanDerWaalsContact O-N 3.1Å; W327-R330 PolarHBondContact O-N 3.42Å; Q328-R330 PolarHBondContact O-N 2.89Å; R330-Q332 PolarHBondContact O-N 2.85Å; R330-L333 PolarHBondContact O-N 3.47Å; R330-L334 VanDerWaalsContact O-CB 3.28Å; R330-L334 WeakPolarHBondContact O-CB 3.44Å; R330-L334 PolarHBondContact O-N 3.45Å; R330-R391 PolarHBondContact NH1-O 3.11Å; R330-R391 PolarHBondContact NH2-O 3.36Å; R330-E396 IonicContact CZ-OE1 2.69Å; R330-E396 IonicContact CZ-OE2 3.43Å; R330-E396 IonicContact NE-OE1 2.88Å; R330-E396 PolarHBondContact NE-OE1 3.45Å; R330-E396 IonicContact NE-OE2 3.39Å; R330-E396 VanDerWaalsContact NH2-CD 3.3Å; R330-E396 IonicContact NH2-OE1 3.59Å; R330-E396 PolarHBondContact NH2-OE1 3.11Å; R330-E396 IonicContact NH2-OE2 3.46Å; R330-E396 PolarHBondContact NH2-OE2 3.42Å
331R86.4Confident80.7Confident98 Ų9846.4 Ų46.437%0.3725%0.247SC..Hα-helixtrans-63.5-40.9178.1-173.857.3178.2176.63.2111.7W327 Q328 L334 L335 E395W327-R331 HydrophobicContact CE3-CB 4.42Å; W327-R331 HydrophobicContact CH2-CB 4.18Å; W327-R331 HydrophobicContact CH2-CG 4.01Å; W327-R331 HydrophobicContact CZ2-CB 4.47Å; W327-R331 HydrophobicContact CZ3-CB 4.15Å; W327-R331 HydrophobicContact CZ3-CG 4.3Å; W327-R331 WeakPolarHBondContact O-CB 3.16Å; W327-R331 PolarHBondContact O-N 3.44Å; Q328-R331 PolarHBondContact O-N 3.48Å; R331-L334 PolarHBondContact O-N 3Å; R331-L335 HydrophobicContact CG-CD1 4.23Å; R331-L335 WeakPolarHBondContact O-CB 3.37Å; R331-L335 VanDerWaalsContact O-CG 3.26Å; R331-L335 WeakPolarHBondContact O-CG 3.28Å; R331-L335 PolarHBondContact O-N 3.45Å; R331-E395 IonicContact NH1-OE1 3.73Å; R331-E395 PolarHBondContact NH1-OE1 2.99Å
332Q85.7Confident81.1Confident76 Ų7644.3 Ų44.336%0.35524%0.242SC..Hα-helixtrans-66.2-46.6176.4-178.85822.300112L275 L289 Q328 M329 R330 L334 L335 E336L275-Q332 HydrophobicContact CD2-CB 4.01Å; L275-Q332 HydrophobicContact CD2-CG 4.03Å; L289-Q332 HydrophobicContact CD2-CB 3.96Å; L289-Q332 HydrophobicContact CD2-CG 3.7Å; Q328-Q332 WeakPolarHBondContact O-CB 3.44Å; Q328-Q332 PolarHBondContact O-N 3.2Å; M329-Q332 PolarHBondContact O-N 3.28Å; R330-Q332 PolarHBondContact O-N 2.85Å; Q332-L334 VanDerWaalsContact C-N 3.29Å; Q332-L334 PolarHBondContact O-N 3.46Å; Q332-L335 PolarHBondContact O-N 3.41Å; Q332-E336 PolarHBondContact NE2-OE1 3.19Å; Q332-E336 PolarHBondContact O-N 3.35Å
333L87.6Confident81Confident2 Ų251.9 Ų51.91%0.0126%0.257CS..Hα-helixtrans-61.6-37.1176.6-70173000112.5L289 V290 M329 R330 E336 L337 L377 L380 Y381 L384L289-L333 HydrophobicContact CD2-CD2 3.99Å; L289-L333 HydrophobicContact CD2-CG 3.97Å; L289-L333 HydrophobicContact CG-CD2 4.38Å; V290-L333 HydrophobicContact CG2-CD2 3.78Å; M329-L333 HydrophobicContact CE-CD1 4.21Å; M329-L333 HydrophobicContact CG-CD1 4.2Å; M329-L333 WeakPolarHBondContact O-CG 3.3Å; M329-L333 PolarHBondContact O-N 2.86Å; R330-L333 PolarHBondContact O-N 3.47Å; L333-E336 PolarHBondContact O-N 2.78Å; L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 PolarHBondContact O-N 2.92Å; L333-L377 HydrophobicContact CD2-CD1 4.02Å; L333-L380 HydrophobicContact CD1-CD2 4.24Å; L333-L380 HydrophobicContact CD2-CD2 3.72Å; L333-Y381 HydrophobicContact CB-CE2 4.42Å; L333-L384 HydrophobicContact CD1-CD1 4.06Å
334L86.9Confident80.1Confident7 Ų753 Ų534%0.03727%0.265CS..Hα-helixtrans-69-39.7174.7178.161.3000112.4R330 R331 Q332 L337 V338 E395 E396R330-L334 VanDerWaalsContact O-CB 3.28Å; R330-L334 WeakPolarHBondContact O-CB 3.44Å; R330-L334 PolarHBondContact O-N 3.45Å; R331-L334 PolarHBondContact O-N 3Å; Q332-L334 VanDerWaalsContact C-N 3.29Å; Q332-L334 PolarHBondContact O-N 3.46Å; L334-L337 WeakPolarHBondContact O-CB 3.28Å; L334-L337 PolarHBondContact O-N 3.1Å; L334-V338 HydrophobicContact CD1-CG2 4.28Å; L334-V338 WeakPolarHBondContact O-CG2 3.38Å; L334-V338 PolarHBondContact O-N 3.21Å; L334-E395 HydrophobicContact CD1-CG 4.5Å; L334-E395 HydrophobicContact CD2-CG 4.02Å; L334-E396 HydrophobicContact CD1-CG 4.21Å; L334-E396 HydrophobicContact CD2-CG 4.44Å
335L86.1Confident78.3Confident83 Ų8364.5 Ų64.544%0.43531%0.306SS..Hα-helixtrans-64.2-40.3173.7-73.9169.3000111.6R331 Q332 L337 V338 A339R331-L335 HydrophobicContact CG-CD1 4.23Å; R331-L335 WeakPolarHBondContact O-CB 3.37Å; R331-L335 VanDerWaalsContact O-CG 3.26Å; R331-L335 WeakPolarHBondContact O-CG 3.28Å; R331-L335 PolarHBondContact O-N 3.45Å; Q332-L335 PolarHBondContact O-N 3.41Å; L335-L337 VanDerWaalsContact C-N 3.33Å; L335-L337 PolarHBondContact O-N 3.01Å; L335-V338 PolarHBondContact O-N 3.01Å; L335-A339 VanDerWaalsContact O-CB 3.28Å; L335-A339 WeakPolarHBondContact O-CB 3.47Å; L335-A339 PolarHBondContact O-N 3.13Å
336E83.9Confident76.4Confident14 Ų1467.9 Ų67.97%0.06533%0.33CS..Hα-helixtrans-64.2-36.2172.9-73.5-172.6-145.100112.7S287 Q332 L333 I340S287-E336 VanDerWaalsContact CB-CD 3.43Å; S287-E336 WeakPolarHBondContact CB-OE1 3.4Å; S287-E336 WeakPolarHBondContact CB-OE2 3.46Å; S287-E336 PolarHBondContact OG-OE1 3.03Å; S287-E336 PolarHBondContact OG-OE2 2.94Å; Q332-E336 PolarHBondContact NE2-OE1 3.19Å; Q332-E336 PolarHBondContact O-N 3.35Å; L333-E336 PolarHBondContact O-N 2.78Å; E336-I340 WeakPolarHBondContact O-CD1 3.4Å; E336-I340 WeakPolarHBondContact O-CG1 3.27Å; E336-I340 PolarHBondContact O-N 3.08Å
337L85.6Confident73.9Confident0 Ų074.3 Ų74.30%037%0.37CS..Hα-helixtrans-65.5-51175-160.2169.9000111L333 L334 L335 A339 I340 L341 L377 Y381 Q399 L400 L403L333-L337 WeakPolarHBondContact O-CB 3.29Å; L333-L337 PolarHBondContact O-N 2.92Å; L334-L337 WeakPolarHBondContact O-CB 3.28Å; L334-L337 PolarHBondContact O-N 3.1Å; L335-L337 VanDerWaalsContact C-N 3.33Å; L335-L337 PolarHBondContact O-N 3.01Å; L337-A339 VanDerWaalsContact C-N 3.25Å; L337-A339 PolarHBondContact O-N 3.23Å; L337-I340 WeakPolarHBondContact O-CB 3.27Å; L337-I340 PolarHBondContact O-N 3.15Å; L337-L341 HydrophobicContact CD2-CD1 3.68Å; L337-L341 HydrophobicContact CD2-CG 4.12Å; L337-L341 PolarHBondContact O-N 2.88Å; L337-L377 HydrophobicContact CB-CD2 3.77Å; L337-L377 HydrophobicContact CG-CD2 4.01Å; L337-Y381 HydrophobicContact CD1-CE2 4.11Å; L337-Q399 HydrophobicContact CD2-CB 3.72Å; L337-L400 HydrophobicContact CD1-CD2 3.71Å; L337-L400 HydrophobicContact CD1-CG 3.77Å; L337-L403 HydrophobicContact CD2-CB 4.42Å; L337-L403 HydrophobicContact CD2-CD2 4.33Å; L337-L403 HydrophobicContact CG-CD2 4.26Å
338V85.6Confident71.6Confident70 Ų7077.4 Ų77.442%0.42439%0.389SS..Hα-helixtrans-63.9-30.6178.5172.20000111.8L334 L335 I340 L341 Q399L334-V338 HydrophobicContact CD1-CG2 4.28Å; L334-V338 WeakPolarHBondContact O-CG2 3.38Å; L334-V338 PolarHBondContact O-N 3.21Å; L335-V338 PolarHBondContact O-N 3.01Å; V338-I340 VanDerWaalsContact C-N 3.31Å; V338-I340 PolarHBondContact O-N 3.1Å; V338-L341 PolarHBondContact O-N 2.9Å; V338-Q399 HydrophobicContact CG2-CG 4.32Å
339A83.3Confident69.2Low74 Ų7480.4 Ų80.461%0.61241%0.412SS*.Hα-helixtrans-71.2-21.6174.200000114.3L335 L337L335-A339 VanDerWaalsContact O-CB 3.28Å; L335-A339 WeakPolarHBondContact O-CB 3.47Å; L335-A339 PolarHBondContact O-N 3.13Å; L337-A339 VanDerWaalsContact C-N 3.25Å; L337-A339 PolarHBondContact O-N 3.23Å
340I82.3Confident66.9Low6 Ų685.7 Ų85.73%0.03145%0.446CS..Hα-helixtrans-82.7-30.5174.9-73.2162.9000111.4E336 L337 V338 L366 H370 K373 A374 L377 L403E336-I340 WeakPolarHBondContact O-CD1 3.4Å; E336-I340 WeakPolarHBondContact O-CG1 3.27Å; E336-I340 PolarHBondContact O-N 3.08Å; L337-I340 WeakPolarHBondContact O-CB 3.27Å; L337-I340 PolarHBondContact O-N 3.15Å; V338-I340 VanDerWaalsContact C-N 3.31Å; V338-I340 PolarHBondContact O-N 3.1Å; I340-L366 HydrophobicContact CG2-CD2 3.92Å; I340-H370 HydrophobicContact CG2-CB 4.3Å; I340-K373 HydrophobicContact CD1-CB 4.28Å; I340-K373 HydrophobicContact CD1-CD 3.96Å; I340-K373 HydrophobicContact CD1-CG 3.82Å; I340-K373 HydrophobicContact CG1-CD 4.14Å; I340-K373 HydrophobicContact CG1-CG 4.45Å; I340-A374 HydrophobicContact CG2-CB 3.99Å; I340-L377 HydrophobicContact CD1-CD2 3.82Å; I340-L403 HydrophobicContact CG2-CD1 3.73Å
341L78.2Confident64.6Low18 Ų1891.3 Ų91.39%0.09448%0.479CS..SBendtrans-72134.1-178.5-73.6173.4000111.7L337 V338 R343 Q399 Q402 L403L337-L341 HydrophobicContact CD2-CD1 3.68Å; L337-L341 HydrophobicContact CD2-CG 4.12Å; L337-L341 PolarHBondContact O-N 2.88Å; V338-L341 PolarHBondContact O-N 2.9Å; L341-R343 PolarHBondContact O-N 3.14Å; L341-Q399 HydrophobicContact CD1-CB 3.98Å; L341-Q402 HydrophobicContact CD2-CG 4.21Å; L341-L403 HydrophobicContact CD2-CB 3.96Å; L341-L403 HydrophobicContact CD2-CD1 3.99Å
342P63.8Low61.9Low52 Ų5294.4 Ų94.434%0.33850%0.503SS..  trans-60.8123.1172.2-22.934.6000110.4S344 G365P342-S344 PolarHBondContact O-N 3.15Å; P342-G365 VanDerWaalsContact CG-O 3.27Å; P342-G365 WeakPolarHBondContact CG-O 3.32Å
343R55.2Low59.4Low246 Ų24694.5 Ų94.593%0.92852%0.517SS*.  trans-52.9112.4-175.5-69.1-178.5-179.7168.30.1111.6L341L341-R343 PolarHBondContact O-N 3.14Å
344S42.6Very low56.7Low98 Ų98102.2 Ų102.269%0.68556%0.558SS**  trans-63.3135.5170.940.20000110.6P342 S346P342-S344 PolarHBondContact O-N 3.15Å; S344-S346 VanDerWaalsContact C-N 3.27Å; S344-S346 PolarHBondContact O-N 3.28Å
345R39.9Very low54.6Low258 Ų258108.6 Ų108.697%0.97460%0.597SS**SBendtrans-76.171.8179.3-83.7-172.3168.4-173-2.1111.6
346S41.2Very low52.2Low87 Ų87113.9 Ų113.961%0.60862%0.62SS**  trans-158.276.9172.657.10000114.2S344S344-S346 VanDerWaalsContact C-N 3.27Å; S344-S346 PolarHBondContact O-N 3.28Å
347T31.7Very low49.7Very low143 Ų143121.2 Ų121.288%0.87766%0.659SS**SBendtrans-171.477.4145.314.50000113V349T347-V349 PolarHBondContact O-N 3.27Å
348H36.2Very low47Very low187 Ų187124 Ų12487%0.86669%0.689SS**  trans38.278.1143.8-160-68000120.2
349V33.1Very low44.4Very low132 Ų132125.2 Ų125.280%0.872%0.715SS**  trans-135.8137.1151.7-179.40000107T347T347-V349 PolarHBondContact O-N 3.27Å
350P40.1Very low41.8Very low111 Ų111124.9 Ų124.972%0.72172%0.719SS**  trans-76.1170.4-172.631.4-37.1000114
351N40.4Very low39.4Very low155 Ų155130.6 Ų130.683%0.82976%0.759SS**  trans-35.8134.3176.6-58.9-7.6000114.4
352D30.3Very low37.4Very low163 Ų163133.2 Ų133.287%0.87279%0.79SS**  -156.8166.3101.1-127.1-31.4000113.8
353A33.3Very low36.3Very low79 Ų79138.4 Ų138.465%0.65380%0.804SS**SBendtrans65122.416900000120.5
354N30.9Very low36.2Very low163 Ų163128.9 Ų128.987%0.87278%0.776SS**  trans69.585149.3-59.86.2000119
355V43.8Very low37.2Very low142 Ų142126.2 Ų126.286%0.86176%0.763SS**  trans-83.8121.2151.5173.10000108.9
356E34.6Very low39Very low193 Ų193114.4 Ų114.490%0.90272%0.719SS**  trans-163.996.4153.6-118.9167.2-142.100110.9
357D31.5Very low40.8Very low168 Ų168118.1 Ų118.190%0.89872%0.72SS**  159.3161.9117.1-165.825.2000112.4
358G29.6Very low42.9Very low60 Ų60117.2 Ų117.262%0.61971%0.706SS**  trans72.678.2147.700000118G360G358-G360 PolarHBondContact O-N 2.97Å
359G30.5Very low44.8Very low95 Ų95115.3 Ų115.398%0.97970%0.697SS**  trans-70.2112.6174.700000114.4
360G27.5Very low47.2Very low67 Ų67111.5 Ų111.569%0.69167%0.671SS**  trans-144.7144.5168.900000111.5G358 G362G358-G360 PolarHBondContact O-N 2.97Å; G360-G362 PolarHBondContact O-N 2.88Å
361S32Very low49.3Very low126 Ų126106.2 Ų106.288%0.88164%0.637SS**  trans-62.8125.1-175.4-170.20000111.7Y363S361-Y363 PolarHBondContact O-N 3.41Å
362G36.7Very low51.4Low72 Ų72102.8 Ų102.874%0.74262%0.621SS**  trans-71.7109.8-163.100000114.8G360G360-G362 PolarHBondContact O-N 2.88Å
363Y40.9Very low53.9Low161 Ų16198 Ų9863%0.63159%0.592SS**  trans-131.3136.8156-96.6-94.7000109.2S361 G365S361-Y363 PolarHBondContact O-N 3.41Å; Y363-G365 PolarHBondContact O-N 3.06Å
364S53.3Low56.4Low47 Ų4794.3 Ų94.333%0.32956%0.561SS.*  trans-78.5107.8-168.953.80000112.9
365G62.9Low59.2Low41 Ų4187.3 Ų87.342%0.42353%0.525SS..BIsolated β-bridgetrans-78.3145.8171.200000113P342 Y363 R407P342-G365 VanDerWaalsContact CG-O 3.27Å; P342-G365 WeakPolarHBondContact CG-O 3.32Å; Y363-G365 PolarHBondContact O-N 3.06Å; G365-R407 CarbonylContact C-O 3.59Å; G365-R407 WeakPolarHBondContact CA-O 3.3Å
366L79.6Confident61.2Low10 Ų1081.8 Ų81.85%0.05249%0.494CS..PPolyproline II helixtrans-73.5138.6167.6-93.8174.2000110I340 H370 V371 A374 L403 S406 R407 P409 F417I340-L366 HydrophobicContact CG2-CD2 3.92Å; L366-H370 HydrophobicContact CD2-CB 4.25Å; L366-V371 HydrophobicContact CB-CG2 4.31Å; L366-A374 HydrophobicContact CD1-CB 4.33Å; L366-L403 HydrophobicContact CD1-CD1 4.37Å; L366-L403 HydrophobicContact CD2-CD1 4.29Å; L366-S406 WeakPolarHBondContact CD1-OG 3.38Å; L366-S406 WeakPolarHBondContact CG-OG 3.44Å; L366-R407 PolarHBondContact N-O 3.08Å; L366-P409 WeakPolarHBondContact O-CD 3.47Å; L366-F417 HydrophobicContact CD1-CD1 4.05Å; L366-F417 HydrophobicContact CD1-CE1 3.57Å; L366-F417 HydrophobicContact CD1-CE2 4.35Å; L366-F417 HydrophobicContact CD1-CZ 3.74Å
367R78.1Confident63.8Low166 Ų16672.7 Ų72.763%0.62645%0.452SS*.PPolyproline II helixtrans-73.9144.3168.1-67.1-176.9175.1-164-2110.4E369 H370 V371R367-E369 VanDerWaalsContact C-N 3.33Å; R367-E369 PolarHBondContact O-N 2.9Å; R367-H370 PolarHBondContact O-N 3.49Å; R367-V371 PolarHBondContact O-N 2.84Å
368E76.1Confident66.5Low124 Ų12464.7 Ų64.758%0.57941%0.409SS*.Hα-helixtrans-54.9-46.8-178.4-171.1168-174.800112.7H370 V371 P409E368-H370 PolarHBondContact O-N 3.43Å; E368-V371 PolarHBondContact O-N 2.9Å; E368-P409 HydrophobicContact CB-CG 4.08Å; E368-P409 HydrophobicContact CG-CG 4.35Å
369E76.4Confident69.4Low147 Ų14766 Ų6669%0.68740%0.396SS*.Hα-helixtrans-45.1-33.6171.5-63.6162.2-167.800113.6R367R367-E369 VanDerWaalsContact C-N 3.33Å; R367-E369 PolarHBondContact O-N 2.9Å
370H81.9Confident72.2Confident52 Ų5261.5 Ų61.524%0.24135%0.349CS..Hα-helixtrans-98.1-13.9-173.5-56.8-4.8000112.8I340 L366 R367 E368 V372 K373 A374I340-H370 HydrophobicContact CG2-CB 4.3Å; L366-H370 HydrophobicContact CD2-CB 4.25Å; R367-H370 PolarHBondContact O-N 3.49Å; E368-H370 PolarHBondContact O-N 3.43Å; H370-V372 VanDerWaalsContact C-N 3.33Å; H370-V372 PolarHBondContact O-N 3.09Å; H370-K373 PolarHBondContact O-N 3.18Å; H370-A374 WeakPolarHBondContact O-CB 3.48Å; H370-A374 PolarHBondContact O-N 3.29Å
371V84.9Confident75.2Confident0 Ų058.4 Ų58.40%032%0.317CS..Hα-helixtrans-62.4-39.3-177.4178.80000111.9L366 R367 E368 S375 P408 P409 A413 F417L366-V371 HydrophobicContact CB-CG2 4.31Å; R367-V371 PolarHBondContact O-N 2.84Å; E368-V371 PolarHBondContact O-N 2.9Å; V371-S375 WeakPolarHBondContact O-CB 3.47Å; V371-S375 PolarHBondContact O-N 2.65Å; V371-S375 PolarHBondContact O-OG 2.86Å; V371-P408 HydrophobicContact CG2-CB 4.02Å; V371-P409 HydrophobicContact CG2-CG 4.37Å; V371-A413 HydrophobicContact CG1-CB 4Å; V371-A413 WeakPolarHBondContact CG1-O 3.36Å; V371-F417 HydrophobicContact CG1-CB 3.77Å; V371-F417 HydrophobicContact CG1-CG 4.35Å
372V84.6Confident77.9Confident82 Ų8252.4 Ų52.450%0.49728%0.275SS..Hα-helixtrans-69.2-45.8177.8-178.70000110.8H370 S375 A376H370-V372 VanDerWaalsContact C-N 3.33Å; H370-V372 PolarHBondContact O-N 3.09Å; V372-S375 WeakPolarHBondContact O-CB 3.39Å; V372-S375 PolarHBondContact O-N 3.35Å; V372-A376 PolarHBondContact O-N 3.38Å
373K84Confident80.3Confident64 Ų6449 Ų4928%0.27824%0.239SC..Hα-helixtrans-63.5-42.7177.7-164.7-180177.9172.30111.8I340 H370 A376 L377I340-K373 HydrophobicContact CD1-CB 4.28Å; I340-K373 HydrophobicContact CD1-CD 3.96Å; I340-K373 HydrophobicContact CD1-CG 3.82Å; I340-K373 HydrophobicContact CG1-CD 4.14Å; I340-K373 HydrophobicContact CG1-CG 4.45Å; H370-K373 PolarHBondContact O-N 3.18Å; K373-A376 PolarHBondContact O-N 3.33Å; K373-L377 WeakPolarHBondContact O-CB 3.36Å; K373-L377 PolarHBondContact O-N 3.48Å
374A85.8Confident82.6Confident0 Ų041.3 Ų41.30%021%0.209CC..Hα-helixtrans-59.7-44.917300000111.7I340 L366 H370 A376 L377 L378 L403 F417I340-A374 HydrophobicContact CG2-CB 3.99Å; L366-A374 HydrophobicContact CD1-CB 4.33Å; H370-A374 WeakPolarHBondContact O-CB 3.48Å; H370-A374 PolarHBondContact O-N 3.29Å; A374-A376 PolarHBondContact O-N 3.43Å; A374-L377 PolarHBondContact O-N 2.97Å; A374-L378 WeakPolarHBondContact O-CB 3.22Å; A374-L378 PolarHBondContact O-N 3.15Å; A374-L403 HydrophobicContact CB-CD1 4.06Å; A374-L403 HydrophobicContact CB-CD2 4.45Å; A374-F417 HydrophobicContact CB-CD2 4.05Å; A374-F417 HydrophobicContact CB-CE2 3.65Å; A374-F417 HydrophobicContact CB-CZ 4.38Å
375S88Confident84.3Confident16 Ų1639.8 Ų39.811%0.11220%0.197CC..Hα-helixtrans-62-41.6176.5-61.20000112.6V371 V372 R379V371-S375 WeakPolarHBondContact O-CB 3.47Å; V371-S375 PolarHBondContact O-N 2.65Å; V371-S375 PolarHBondContact O-OG 2.86Å; V372-S375 WeakPolarHBondContact O-CB 3.39Å; V372-S375 PolarHBondContact O-N 3.35Å; S375-R379 WeakPolarHBondContact O-CB 3.4Å; S375-R379 PolarHBondContact O-N 3.09Å
376A87.1Confident85.3Confident26 Ų2639 Ų3922%0.21519%0.188CC..Hα-helixtrans-65.9-47.917700000111.8V286 V290 V372 K373 A374 R379 L380V286-A376 HydrophobicContact CG1-CB 4.26Å; V286-A376 HydrophobicContact CG2-CB 4.08Å; V290-A376 HydrophobicContact CG1-CB 4.39Å; V372-A376 PolarHBondContact O-N 3.38Å; K373-A376 PolarHBondContact O-N 3.33Å; A374-A376 PolarHBondContact O-N 3.43Å; A376-R379 PolarHBondContact O-N 3.37Å; A376-L380 PolarHBondContact O-N 3.29Å
377L88.6Confident85.6Confident2 Ų239.9 Ų39.91%0.0119%0.193CC..Hα-helixtrans-63.8-43178.9-173.460.8000111.8V290 L333 L337 I340 K373 A374 R379 L380 Y381V290-L377 HydrophobicContact CG2-CD1 4Å; L333-L377 HydrophobicContact CD2-CD1 4.02Å; L337-L377 HydrophobicContact CB-CD2 3.77Å; L337-L377 HydrophobicContact CG-CD2 4.01Å; I340-L377 HydrophobicContact CD1-CD2 3.82Å; K373-L377 WeakPolarHBondContact O-CB 3.36Å; K373-L377 PolarHBondContact O-N 3.48Å; A374-L377 PolarHBondContact O-N 2.97Å; L377-R379 VanDerWaalsContact C-N 3.33Å; L377-R379 PolarHBondContact O-N 2.86Å; L377-L380 WeakPolarHBondContact O-CB 3.15Å; L377-L380 PolarHBondContact O-N 3.44Å; L377-Y381 HydrophobicContact CD1-CD2 4.06Å; L377-Y381 HydrophobicContact CD1-CE2 3.85Å; L377-Y381 HydrophobicContact CG-CD2 4.09Å; L377-Y381 HydrophobicContact CG-CE2 4.1Å; L377-Y381 WeakPolarHBondContact O-CD2 3.47Å; L377-Y381 PolarHBondContact O-N 2.76Å
378L88.6Confident85.9Confident1 Ų132 Ų321%0.00516%0.163CC..Hα-helixtrans-60.5-41.6174.6-175.668.8000111.7A374 Y381 C382 M404 F417 L420 S421 K424A374-L378 WeakPolarHBondContact O-CB 3.22Å; A374-L378 PolarHBondContact O-N 3.15Å; L378-Y381 CarbonylContact O-C 3.5Å; L378-Y381 PolarHBondContact O-N 3.03Å; L378-C382 PolarHBondContact O-N 3.19Å; L378-C382 PolarHBondContact O-SG 3.15Å; L378-M404 HydrophobicContact CD1-CG 3.62Å; L378-M404 HydrophobicContact CD1-SD 3.92Å; L378-M404 HydrophobicContact CD2-CG 4.45Å; L378-F417 HydrophobicContact CD2-CE2 4.19Å; L378-L420 HydrophobicContact CD2-CB 3.92Å; L378-S421 WeakPolarHBondContact CD2-OG 3.3Å; L378-K424 HydrophobicContact CD1-CB 4.28Å; L378-K424 HydrophobicContact CD1-CG 3.82Å; L378-K424 HydrophobicContact CG-CG 4.5Å
379R89.3Confident86.4Confident88 Ų8827.2 Ų27.233%0.33215%0.148SC..Hα-helixtrans-66.5-37.1175.8-164.8175-175.5-143.2-4.6111.8L298 S375 A376 L377 C382 A383 L492 G493 M494L298-R379 HydrophobicContact CD1-CG 4.42Å; S375-R379 WeakPolarHBondContact O-CB 3.4Å; S375-R379 PolarHBondContact O-N 3.09Å; A376-R379 PolarHBondContact O-N 3.37Å; L377-R379 VanDerWaalsContact C-N 3.33Å; L377-R379 PolarHBondContact O-N 2.86Å; R379-C382 WeakPolarHBondContact O-CB 3.49Å; R379-C382 PolarHBondContact O-N 3.12Å; R379-A383 PolarHBondContact O-N 2.64Å; R379-L492 PolarHBondContact NE-O 2.65Å; R379-G493 PolarHBondContact NH2-O 2.85Å; R379-M494 HydrophobicContact CG-CE 3.4Å; R379-M494 WeakPolarHBondContact O-CE 3.37Å
380L90Very high86.9Confident0 Ų020.6 Ų20.60%012%0.117CC..Hα-helixtrans-62.3-46.1170.7173.559.6000111.6V290 V293 L333 A376 L377 C382 A383 L384V290-L380 HydrophobicContact CB-CD2 4.21Å; V290-L380 HydrophobicContact CG1-CB 4.45Å; V290-L380 HydrophobicContact CG1-CD2 4.02Å; V290-L380 HydrophobicContact CG2-CD2 4.06Å; V293-L380 HydrophobicContact CB-CD1 4.03Å; V293-L380 HydrophobicContact CG1-CD1 3.73Å; L333-L380 HydrophobicContact CD1-CD2 4.24Å; L333-L380 HydrophobicContact CD2-CD2 3.72Å; A376-L380 PolarHBondContact O-N 3.29Å; L377-L380 WeakPolarHBondContact O-CB 3.15Å; L377-L380 PolarHBondContact O-N 3.44Å; L380-C382 PolarHBondContact O-N 3.31Å; L380-A383 PolarHBondContact O-N 3.23Å; L380-L384 HydrophobicContact CD1-CD1 3.94Å; L380-L384 HydrophobicContact CD1-CG 3.96Å; L380-L384 HydrophobicContact CD2-CD1 4.48Å; L380-L384 HydrophobicContact CG-CD1 3.84Å; L380-L384 HydrophobicContact CG-CG 4.33Å; L380-L384 WeakPolarHBondContact O-CB 3.26Å; L380-L384 PolarHBondContact O-N 3.26Å
381Y89.8Confident87.2Confident2 Ų227.5 Ų27.51%0.00814%0.141CC..Hα-helixtrans-66.6-19.1174.2-85.5-80.1000113.5L333 L337 L377 L378 M385 L400 K424L333-Y381 HydrophobicContact CB-CE2 4.42Å; L337-Y381 HydrophobicContact CD1-CE2 4.11Å; L377-Y381 HydrophobicContact CD1-CD2 4.06Å; L377-Y381 HydrophobicContact CD1-CE2 3.85Å; L377-Y381 HydrophobicContact CG-CD2 4.09Å; L377-Y381 HydrophobicContact CG-CE2 4.1Å; L377-Y381 WeakPolarHBondContact O-CD2 3.47Å; L377-Y381 PolarHBondContact O-N 2.76Å; L378-Y381 CarbonylContact O-C 3.5Å; L378-Y381 PolarHBondContact O-N 3.03Å; Y381-M385 HydrophobicContact CD1-CE 4.07Å; Y381-M385 WeakPolarHBondContact O-CG 3.27Å; Y381-M385 PolarHBondContact O-N 3.31Å; Y381-L400 HydrophobicContact CD1-CD1 3.77Å; Y381-L400 HydrophobicContact CD1-CD2 4.38Å; Y381-L400 HydrophobicContact CD2-CD2 3.88Å; Y381-L400 HydrophobicContact CE1-CD1 4.11Å; Y381-L400 HydrophobicContact CE2-CD2 4.37Å; Y381-L400 HydrophobicContact CG-CD1 4.07Å; Y381-L400 HydrophobicContact CG-CD2 3.87Å; Y381-K424 PolarHBondContact O-NZ 3.02Å
382C88.8Confident87.2Confident0 Ų029.5 Ų29.50%015%0.154CC..Hα-helixtrans-70.7-47.6165.6-64.50000111.5L378 R379 L380 G386 K424 M494L378-C382 PolarHBondContact O-N 3.19Å; L378-C382 PolarHBondContact O-SG 3.15Å; R379-C382 WeakPolarHBondContact O-CB 3.49Å; R379-C382 PolarHBondContact O-N 3.12Å; L380-C382 PolarHBondContact O-N 3.31Å; C382-G386 WeakPolarHBondContact O-CA 3.44Å; C382-G386 PolarHBondContact O-N 2.94Å; C382-K424 WeakPolarHBondContact SG-CD 3.24Å; C382-K424 VanDerWaalsContact SG-CE 3.57Å; C382-M494 HydrophobicContact CB-CE 3.88Å; C382-M494 HydrophobicContact CB-SD 3.77Å
383A88.2Confident87.3Confident0 Ų028.2 Ų28.20%015%0.146CC..Hα-helixtrans-64.2-44.9177.800000112.1L297 L298 R379 L380 I387 A388 M494L297-A383 HydrophobicContact CB-CB 3.98Å; L297-A383 HydrophobicContact CD1-CB 4.01Å; L298-A383 HydrophobicContact CD2-CB 3.91Å; L298-A383 HydrophobicContact CG-CB 4.31Å; R379-A383 PolarHBondContact O-N 2.64Å; L380-A383 PolarHBondContact O-N 3.23Å; A383-I387 HydrophobicContact CB-CD1 4.4Å; A383-I387 WeakPolarHBondContact O-CA 3.31Å; A383-I387 VanDerWaalsContact O-CB 3.28Å; A383-I387 WeakPolarHBondContact O-CB 3.31Å; A383-I387 PolarHBondContact O-N 3.39Å; A383-A388 PolarHBondContact O-N 2.96Å; A383-A388 VanDerWaalsContact O-N 3.15Å; A383-M494 HydrophobicContact CB-CE 4.47Å; A383-M494 HydrophobicContact CB-SD 4.25Å
384L89Confident87.3Confident0 Ų032.2 Ų32.20%017%0.171CC..Iπ-helixtrans-60.5-49.6179.2-76.8168.4000112.1V293 L297 M329 L333 L380 A388 G389 L390V293-L384 HydrophobicContact CG1-CD2 4.29Å; L297-L384 HydrophobicContact CD1-CD2 3.82Å; L297-L384 HydrophobicContact CD1-CG 4.11Å; M329-L384 HydrophobicContact CE-CD2 4.39Å; L333-L384 HydrophobicContact CD1-CD1 4.06Å; L380-L384 HydrophobicContact CD1-CD1 3.94Å; L380-L384 HydrophobicContact CD1-CG 3.96Å; L380-L384 HydrophobicContact CD2-CD1 4.48Å; L380-L384 HydrophobicContact CG-CD1 3.84Å; L380-L384 HydrophobicContact CG-CG 4.33Å; L380-L384 WeakPolarHBondContact O-CB 3.26Å; L380-L384 PolarHBondContact O-N 3.26Å; L384-A388 HydrophobicContact CD2-CB 4.5Å; L384-A388 CarbonylContact O-C 3.05Å; L384-A388 WeakPolarHBondContact O-CA 3.3Å; L384-A388 VanDerWaalsContact O-CB 3.25Å; L384-A388 WeakPolarHBondContact O-CB 3.29Å; L384-A388 PolarHBondContact O-N 3.39Å; L384-G389 PolarHBondContact O-N 2.93Å; L384-L390 HydrophobicContact CB-CB 4.13Å; L384-L390 HydrophobicContact CB-CD2 3.92Å; L384-L390 HydrophobicContact CD1-CD2 4.18Å; L384-L390 HydrophobicContact CD2-CD2 4.49Å; L384-L390 HydrophobicContact CG-CD2 4.44Å; L384-L390 WeakPolarHBondContact O-CB 3.3Å; L384-L390 PolarHBondContact O-N 3.32Å
385M88.1Confident87.2Confident15 Ų1537 Ų377%0.07419%0.193CC..Iπ-helixtrans-74.8-37.5179.1-62-174.8-151.200113Y381 G389 P392 L400 K424 F428 L431Y381-M385 HydrophobicContact CD1-CE 4.07Å; Y381-M385 WeakPolarHBondContact O-CG 3.27Å; Y381-M385 PolarHBondContact O-N 3.31Å; M385-G389 WeakPolarHBondContact O-CA 3.49Å; M385-P392 HydrophobicContact CE-CB 4.16Å; M385-P392 HydrophobicContact CE-CG 4.14Å; M385-P392 HydrophobicContact SD-CG 4.28Å; M385-L400 HydrophobicContact CE-CD1 3.4Å; M385-L400 VanDerWaalsContact CE-CD1 3.4Å; M385-K424 PolarHBondContact SD-NZ 3.27Å; M385-F428 HydrophobicContact CB-CD1 3.83Å; M385-F428 HydrophobicContact CB-CE1 3.34Å; M385-F428 HydrophobicContact CB-CZ 3.81Å; M385-F428 HydrophobicContact SD-CD1 4.09Å; M385-F428 HydrophobicContact SD-CG 4.33Å; M385-L431 HydrophobicContact CE-CD1 4.45Å; M385-L431 HydrophobicContact CE-CD2 4.09Å; M385-L431 HydrophobicContact SD-CD2 4.45Å
386G85Confident87.2Confident23 Ų2336.4 Ų36.424%0.23719%0.188CC..Iπ-helixtrans-87.3-36.4-170.700000115.4C382C382-G386 WeakPolarHBondContact O-CA 3.44Å; C382-G386 PolarHBondContact O-N 2.94Å
387I84.7Confident87.2Confident29 Ų2935.8 Ų35.815%0.14918%0.183CC..Iπ-helixtrans-101.3-59.9-178.6-59174.7000108.9L297 L298 R305 R313 A383 G389L297-I387 HydrophobicContact CD2-CG2 4.38Å; L298-I387 HydrophobicContact CD2-CD1 4.17Å; R305-I387 VanDerWaalsContact CD-CG2 3.48Å; R305-I387 HydrophobicContact CG-CG2 3.63Å; R313-I387 PolarHBondContact NH2-O 3.17Å; A383-I387 HydrophobicContact CB-CD1 4.4Å; A383-I387 WeakPolarHBondContact O-CA 3.31Å; A383-I387 VanDerWaalsContact O-CB 3.28Å; A383-I387 WeakPolarHBondContact O-CB 3.31Å; A383-I387 PolarHBondContact O-N 3.39Å; I387-G389 VanDerWaalsContact C-N 3.28Å; I387-G389 PolarHBondContact O-N 3.18Å
388A85.3Confident87Confident0 Ų040.9 Ų40.90%021%0.207CC..Iπ-helixtrans-67.5-28.5179.700000112.1L297 I312 R313 A383 L384L297-A388 HydrophobicContact CD1-CB 4.34Å; L297-A388 HydrophobicContact CD2-CB 4.09Å; I312-A388 HydrophobicContact CB-CB 4.06Å; I312-A388 HydrophobicContact CG1-CB 4.04Å; I312-A388 HydrophobicContact CG2-CB 4.13Å; R313-A388 WeakPolarHBondContact CG-O 3.35Å; R313-A388 PolarHBondContact NE-O 3.44Å; A383-A388 PolarHBondContact O-N 2.96Å; A383-A388 VanDerWaalsContact O-N 3.15Å; L384-A388 HydrophobicContact CD2-CB 4.5Å; L384-A388 CarbonylContact O-C 3.05Å; L384-A388 WeakPolarHBondContact O-CA 3.3Å; L384-A388 VanDerWaalsContact O-CB 3.25Å; L384-A388 WeakPolarHBondContact O-CB 3.29Å; L384-A388 PolarHBondContact O-N 3.39Å
389G85.7Confident87Confident25 Ų2542.9 Ų42.926%0.25822%0.217SC..  trans8025.7-179.900000113.7Q316 L384 M385 I387Q316-G389 PolarHBondContact NE2-O 2.85Å; L384-G389 PolarHBondContact O-N 2.93Å; M385-G389 WeakPolarHBondContact O-CA 3.49Å; I387-G389 VanDerWaalsContact C-N 3.28Å; I387-G389 PolarHBondContact O-N 3.18Å
390L88.4Confident87Confident8 Ų838.8 Ų38.84%0.04220%0.201CC..PPolyproline II helixtrans-59.7130.7173.2-176.567.5000110.4I312 L384I312-L390 HydrophobicContact CG2-CB 4Å; I312-L390 HydrophobicContact CG2-CD1 3.84Å; I312-L390 HydrophobicContact CG2-CG 4.5Å; L384-L390 HydrophobicContact CB-CB 4.13Å; L384-L390 HydrophobicContact CB-CD2 3.92Å; L384-L390 HydrophobicContact CD1-CD2 4.18Å; L384-L390 HydrophobicContact CD2-CD2 4.49Å; L384-L390 HydrophobicContact CG-CD2 4.44Å; L384-L390 WeakPolarHBondContact O-CB 3.3Å; L384-L390 PolarHBondContact O-N 3.32Å
391R87.4Confident86.9Confident197 Ų19739 Ų3974%0.74320%0.202SC*.PPolyproline II helixtrans-91.2121.9166.6-60.4-175.2-174.3-175.43.5109.1R330R330-R391 PolarHBondContact NH1-O 3.11Å; R330-R391 PolarHBondContact NH2-O 3.36Å
392P86.1Confident86.7Confident41 Ų4142.6 Ų42.627%0.26622%0.219SC..PPolyproline II helixtrans-64.5155.9176.128.5-34.2000111.2M385 E396 A397 L431M385-P392 HydrophobicContact CE-CB 4.16Å; M385-P392 HydrophobicContact CE-CG 4.14Å; M385-P392 HydrophobicContact SD-CG 4.28Å; P392-E396 VanDerWaalsContact CA-OE2 3.22Å; P392-E396 WeakPolarHBondContact CA-OE2 3.36Å; P392-E396 HydrophobicContact CB-CB 4.14Å; P392-A397 HydrophobicContact CB-CB 4.33Å; P392-A397 HydrophobicContact CG-CB 4.4Å; P392-L431 HydrophobicContact CG-CD2 4.01Å
393T86.1Confident86.7Confident56 Ų5642.6 Ų42.634%0.34422%0.219SC..PPolyproline II helixtrans-78.3167161.758.80000110E395 E396 A397T393-E395 VanDerWaalsContact C-N 3.31Å; T393-E395 PolarHBondContact O-N 3.17Å; T393-E396 PolarHBondContact N-OE2 3.46Å; T393-E396 VanDerWaalsContact N-OE2 3.14Å; T393-E396 PolarHBondContact O-N 3.28Å; T393-E396 WeakPolarHBondContact OG1-CB 3.29Å; T393-E396 VanDerWaalsContact OG1-CG 3.27Å; T393-E396 WeakPolarHBondContact OG1-CG 3.49Å; T393-E396 PolarHBondContact OG1-N 3.12Å; T393-E396 VanDerWaalsContact OG1-N 3.1Å; T393-A397 WeakPolarHBondContact O-CB 3.25Å; T393-A397 PolarHBondContact O-N 2.91Å
394D83.3Confident86.7Confident147 Ų14742.7 Ų42.779%0.78622%0.219SC*.Hα-helixtrans-61.4-41.4176.1-46.9-67.7000111.2A397 E398D394-A397 PolarHBondContact O-N 2.99Å; D394-E398 WeakPolarHBondContact O-CB 3.3Å; D394-E398 PolarHBondContact O-N 2.89Å
395E84.6Confident86.7Confident100 Ų10043.6 Ų43.647%0.46723%0.225SC..Hα-helixtrans-59.1-47.6172.7-172-175.6-179.400111.8R331 L334 T393 A397 Q399R331-E395 IonicContact NH1-OE1 3.73Å; R331-E395 PolarHBondContact NH1-OE1 2.99Å; L334-E395 HydrophobicContact CD1-CG 4.5Å; L334-E395 HydrophobicContact CD2-CG 4.02Å; T393-E395 VanDerWaalsContact C-N 3.31Å; T393-E395 PolarHBondContact O-N 3.17Å; E395-A397 PolarHBondContact O-N 3.16Å; E395-Q399 VanDerWaalsContact O-CG 3.29Å; E395-Q399 WeakPolarHBondContact O-CG 3.45Å; E395-Q399 PolarHBondContact O-N 3.4Å
396E86.8Confident86.5Confident4 Ų443 Ų432%0.01922%0.223CC..Hα-helixtrans-64.3-39.3175.2-74.4169.1-174.300112.1R330 L334 P392 T393 L400R330-E396 IonicContact CZ-OE1 2.69Å; R330-E396 IonicContact CZ-OE2 3.43Å; R330-E396 IonicContact NE-OE1 2.88Å; R330-E396 PolarHBondContact NE-OE1 3.45Å; R330-E396 IonicContact NE-OE2 3.39Å; R330-E396 VanDerWaalsContact NH2-CD 3.3Å; R330-E396 IonicContact NH2-OE1 3.59Å; R330-E396 PolarHBondContact NH2-OE1 3.11Å; R330-E396 IonicContact NH2-OE2 3.46Å; R330-E396 PolarHBondContact NH2-OE2 3.42Å; L334-E396 HydrophobicContact CD1-CG 4.21Å; L334-E396 HydrophobicContact CD2-CG 4.44Å; P392-E396 VanDerWaalsContact CA-OE2 3.22Å; P392-E396 WeakPolarHBondContact CA-OE2 3.36Å; P392-E396 HydrophobicContact CB-CB 4.14Å; T393-E396 PolarHBondContact N-OE2 3.46Å; T393-E396 VanDerWaalsContact N-OE2 3.14Å; T393-E396 PolarHBondContact O-N 3.28Å; T393-E396 WeakPolarHBondContact OG1-CB 3.29Å; T393-E396 VanDerWaalsContact OG1-CG 3.27Å; T393-E396 WeakPolarHBondContact OG1-CG 3.49Å; T393-E396 PolarHBondContact OG1-N 3.12Å; T393-E396 VanDerWaalsContact OG1-N 3.1Å; E396-L400 WeakPolarHBondContact O-CB 3.43Å; E396-L400 WeakPolarHBondContact O-CD1 3.35Å; E396-L400 WeakPolarHBondContact O-CG 3.48Å; E396-L400 PolarHBondContact O-N 2.96Å
397A86.7Confident86.6Confident13 Ų1346.5 Ų46.511%0.10723%0.229CC..Hα-helixtrans-70.1-42.5-177.300000112.4P392 T393 D394 E395 L401 L431P392-A397 HydrophobicContact CB-CB 4.33Å; P392-A397 HydrophobicContact CG-CB 4.4Å; T393-A397 WeakPolarHBondContact O-CB 3.25Å; T393-A397 PolarHBondContact O-N 2.91Å; D394-A397 PolarHBondContact O-N 2.99Å; E395-A397 PolarHBondContact O-N 3.16Å; A397-L401 WeakPolarHBondContact O-CB 3.36Å; A397-L401 PolarHBondContact O-N 3.5Å; A397-L431 HydrophobicContact CB-CD2 3.85Å
398E86.1Confident86.6Confident109 Ų10945.6 Ų45.651%0.50923%0.225SC..Hα-helixtrans-60.5-52.4175-174.4-166.9172.300111D394 L400 L401 Q402D394-E398 WeakPolarHBondContact O-CB 3.3Å; D394-E398 PolarHBondContact O-N 2.89Å; E398-L400 VanDerWaalsContact C-N 3.34Å; E398-L400 PolarHBondContact O-N 3.47Å; E398-L401 PolarHBondContact O-N 3.09Å; E398-L401 VanDerWaalsContact O-N 3.16Å; E398-Q402 WeakPolarHBondContact O-CB 3.38Å; E398-Q402 PolarHBondContact O-N 2.88Å
399Q87.8Confident86.4Confident44 Ų4447.5 Ų47.521%0.20624%0.237CC..Hα-helixtrans-69.4-32.4-177.7-56.1-55.3-52.400111.9L337 V338 L341 E395 L403L337-Q399 HydrophobicContact CD2-CB 3.72Å; V338-Q399 HydrophobicContact CG2-CG 4.32Å; L341-Q399 HydrophobicContact CD1-CB 3.98Å; E395-Q399 VanDerWaalsContact O-CG 3.29Å; E395-Q399 WeakPolarHBondContact O-CG 3.45Å; E395-Q399 PolarHBondContact O-N 3.4Å; Q399-L403 WeakPolarHBondContact O-CB 3.4Å; Q399-L403 PolarHBondContact O-N 2.89Å
400L88.7Confident86.2Confident1 Ų147.3 Ų47.31%0.00523%0.233CC..Hα-helixtrans-63.1-42169.5-82169.4000112.5L337 Y381 M385 E396 E398 L403 M404L337-L400 HydrophobicContact CD1-CD2 3.71Å; L337-L400 HydrophobicContact CD1-CG 3.77Å; Y381-L400 HydrophobicContact CD1-CD1 3.77Å; Y381-L400 HydrophobicContact CD1-CD2 4.38Å; Y381-L400 HydrophobicContact CD2-CD2 3.88Å; Y381-L400 HydrophobicContact CE1-CD1 4.11Å; Y381-L400 HydrophobicContact CE2-CD2 4.37Å; Y381-L400 HydrophobicContact CG-CD1 4.07Å; Y381-L400 HydrophobicContact CG-CD2 3.87Å; M385-L400 HydrophobicContact CE-CD1 3.4Å; M385-L400 VanDerWaalsContact CE-CD1 3.4Å; E396-L400 WeakPolarHBondContact O-CB 3.43Å; E396-L400 WeakPolarHBondContact O-CD1 3.35Å; E396-L400 WeakPolarHBondContact O-CG 3.48Å; E396-L400 PolarHBondContact O-N 2.96Å; E398-L400 VanDerWaalsContact C-N 3.34Å; E398-L400 PolarHBondContact O-N 3.47Å; L400-L403 PolarHBondContact O-N 3.02Å; L400-M404 WeakPolarHBondContact O-CE 3.23Å; L400-M404 VanDerWaalsContact O-CG 3.31Å; L400-M404 WeakPolarHBondContact O-CG 3.5Å; L400-M404 PolarHBondContact O-N 3.23Å
401L87.9Confident86Confident6 Ų648.2 Ų48.23%0.03124%0.239CC..Hα-helixtrans-63.6-50.1176.6-177.964.3000110.4A397 E398 L403 M404 T405 L425 V432 Q437 L440A397-L401 WeakPolarHBondContact O-CB 3.36Å; A397-L401 PolarHBondContact O-N 3.5Å; E398-L401 PolarHBondContact O-N 3.09Å; E398-L401 VanDerWaalsContact O-N 3.16Å; L401-L403 PolarHBondContact O-N 2.8Å; L401-M404 HydrophobicContact CD1-CE 4.24Å; L401-M404 PolarHBondContact O-N 3.27Å; L401-T405 HydrophobicContact CD1-CG2 4.06Å; L401-T405 PolarHBondContact O-N 3.03Å; L401-T405 PolarHBondContact O-OG1 3.07Å; L401-L425 HydrophobicContact CD1-CD2 3.7Å; L401-V432 HydrophobicContact CD1-CG2 4.24Å; L401-Q437 HydrophobicContact CD2-CB 3.54Å; L401-Q437 HydrophobicContact CD2-CG 3.59Å; L401-L440 HydrophobicContact CD2-CD2 4.08Å; L401-L440 HydrophobicContact CG-CD2 4.02Å
402Q86.9Confident85.6Confident77 Ų7742.5 Ų42.536%0.3623%0.227SC..Hα-helixtrans-56.9-35.9177.5-172.566.32.300112.5L341 E398 S406L341-Q402 HydrophobicContact CD2-CG 4.21Å; E398-Q402 WeakPolarHBondContact O-CB 3.38Å; E398-Q402 PolarHBondContact O-N 2.88Å; Q402-S406 PolarHBondContact O-N 3.24Å
403L88.4Confident85.3Confident0 Ų042.1 Ų42.10%023%0.228CC..Hα-helixtrans-67.3-51.5173-17761.5000111.3L337 I340 L341 L366 A374 Q399 L400 L401 T405 S406 F417L337-L403 HydrophobicContact CD2-CB 4.42Å; L337-L403 HydrophobicContact CD2-CD2 4.33Å; L337-L403 HydrophobicContact CG-CD2 4.26Å; I340-L403 HydrophobicContact CG2-CD1 3.73Å; L341-L403 HydrophobicContact CD2-CB 3.96Å; L341-L403 HydrophobicContact CD2-CD1 3.99Å; L366-L403 HydrophobicContact CD1-CD1 4.37Å; L366-L403 HydrophobicContact CD2-CD1 4.29Å; A374-L403 HydrophobicContact CB-CD1 4.06Å; A374-L403 HydrophobicContact CB-CD2 4.45Å; Q399-L403 WeakPolarHBondContact O-CB 3.4Å; Q399-L403 PolarHBondContact O-N 2.89Å; L400-L403 PolarHBondContact O-N 3.02Å; L401-L403 PolarHBondContact O-N 2.8Å; L403-T405 VanDerWaalsContact C-N 3.29Å; L403-T405 PolarHBondContact O-N 3.48Å; L403-S406 WeakPolarHBondContact O-CB 3.39Å; L403-S406 PolarHBondContact O-N 3.4Å; L403-S406 PolarHBondContact O-OG 2.82Å; L403-F417 HydrophobicContact CD1-CZ 4.33Å; L403-F417 HydrophobicContact CG-CZ 4.19Å; L403-F417 WeakPolarHBondContact O-CZ 3.36Å
404M88.6Confident85.2Confident1 Ų139.5 Ų39.51%0.00521%0.212CC..Hα-helixtrans-59.6-36.9-178.8-74.9-175.5-61.800113.1L378 L400 L401 S406 K424 L425 L431 W444L378-M404 HydrophobicContact CD1-CG 3.62Å; L378-M404 HydrophobicContact CD1-SD 3.92Å; L378-M404 HydrophobicContact CD2-CG 4.45Å; L400-M404 WeakPolarHBondContact O-CE 3.23Å; L400-M404 VanDerWaalsContact O-CG 3.31Å; L400-M404 WeakPolarHBondContact O-CG 3.5Å; L400-M404 PolarHBondContact O-N 3.23Å; L401-M404 HydrophobicContact CD1-CE 4.24Å; L401-M404 PolarHBondContact O-N 3.27Å; M404-S406 VanDerWaalsContact C-N 3.34Å; M404-K424 HydrophobicContact SD-CB 3.83Å; M404-K424 HydrophobicContact SD-CG 3.47Å; M404-K424 WeakPolarHBondContact SD-CG 3.45Å; M404-L425 HydrophobicContact CE-CD2 3.56Å; M404-L425 HydrophobicContact CE-CG 3.96Å; M404-L425 HydrophobicContact SD-CD2 4.2Å; M404-L425 HydrophobicContact SD-CG 3.9Å; M404-L431 HydrophobicContact CE-CD1 3.82Å; M404-W444 WeakPolarHBondContact O-CZ2 3.31Å
405T87.4Confident85.1Confident19 Ų1933 Ų3312%0.11718%0.177CC..THydrogen-bonded Turntrans-92.310.7-178.659.50000114.1L401 L403 L440 W444L401-T405 HydrophobicContact CD1-CG2 4.06Å; L401-T405 PolarHBondContact O-N 3.03Å; L401-T405 PolarHBondContact O-OG1 3.07Å; L403-T405 VanDerWaalsContact C-N 3.29Å; L403-T405 PolarHBondContact O-N 3.48Å; T405-L440 HydrophobicContact CG2-CD2 3.85Å; T405-L440 WeakPolarHBondContact OG1-CD2 3.44Å; T405-W444 VanDerWaalsContact C-CD1 3.47Å; T405-W444 VanDerWaalsContact CA-CD1 3.44Å; T405-W444 HydrophobicContact CG2-CB 3.83Å; T405-W444 HydrophobicContact CG2-CD2 4.05Å; T405-W444 HydrophobicContact CG2-CE3 4.33Å; T405-W444 HydrophobicContact CG2-CG 3.83Å; T405-W444 PolarHBondContact O-NE1 3.31Å
406S85.5Confident85.1Confident4 Ų436.4 Ų36.43%0.02819%0.186CC..SBendtrans-69.8166.1170.268.40000111.7L366 Q402 L403 M404 W444L366-S406 WeakPolarHBondContact CD1-OG 3.38Å; L366-S406 WeakPolarHBondContact CG-OG 3.44Å; Q402-S406 PolarHBondContact O-N 3.24Å; L403-S406 WeakPolarHBondContact O-CB 3.39Å; L403-S406 PolarHBondContact O-N 3.4Å; L403-S406 PolarHBondContact O-OG 2.82Å; M404-S406 VanDerWaalsContact C-N 3.34Å; S406-W444 PolarHBondContact O-NE1 3.48Å
407R85.7Confident85.1Confident95 Ų9536.2 Ų36.236%0.35819%0.185SC..BIsolated β-bridgetrans-109.9109.4179.1-62.7-177.4-179.7155.93.5109.8G365 L366 W447G365-R407 CarbonylContact C-O 3.59Å; G365-R407 WeakPolarHBondContact CA-O 3.3Å; L366-R407 PolarHBondContact N-O 3.08Å; R407-W447 HydrophobicContact CB-CH2 4.13Å; R407-W447 HydrophobicContact CB-CZ2 4.03Å; R407-W447 HydrophobicContact CG-CD2 4.21Å; R407-W447 HydrophobicContact CG-CE3 4.36Å; R407-W447 HydrophobicContact CG-CH2 3.88Å; R407-W447 HydrophobicContact CG-CZ2 3.66Å; R407-W447 HydrophobicContact CG-CZ3 4.21Å
408P84.3Confident85.2Confident10 Ų1035.6 Ų35.67%0.06518%0.18CC..  trans-80.4166.317434.3-35.7000111.6V371 F417 V418V371-P408 HydrophobicContact CG2-CB 4.02Å; P408-F417 HydrophobicContact CB-CD1 4.45Å; P408-F417 HydrophobicContact CG-CD1 4.17Å; P408-V418 HydrophobicContact CG-CG2 3.72Å
409P82.7Confident85.2Confident41 Ų4131.2 Ų31.227%0.26616%0.161SC..  trans-62.5159166.229.6-37.6000111.6L366 E368 V371 T411L366-P409 WeakPolarHBondContact O-CD 3.47Å; E368-P409 HydrophobicContact CB-CG 4.08Å; E368-P409 HydrophobicContact CG-CG 4.35Å; V371-P409 HydrophobicContact CG2-CG 4.37Å; P409-T411 HydrophobicContact CB-CG2 4.24Å; P409-T411 HydrophobicContact CG-CG2 4.28Å; P409-T411 PolarHBondContact O-N 2.85Å
410A81Confident85.2Confident21 Ų2129.5 Ų29.517%0.17415%0.154CC..SBendtrans-77.555.5-178.200000113.2Y454 F455 A458A410-Y454 HydrophobicContact CB-CD1 4.49Å; A410-Y454 HydrophobicContact CB-CE1 3.88Å; A410-F455 HydrophobicContact CB-CD1 4.02Å; A410-F455 HydrophobicContact CB-CE1 4.05Å; A410-F455 HydrophobicContact CB-CG 4.46Å; A410-F455 HydrophobicContact CB-CZ 4.49Å; A410-A458 HydrophobicContact CB-CB 3.84Å
411T83.2Confident85.2Confident26 Ų2629.5 Ų29.516%0.1615%0.153CC..SBendtrans-108.6161.3176.871.10000110.8P409 A413 G414 V415P409-T411 HydrophobicContact CB-CG2 4.24Å; P409-T411 HydrophobicContact CG-CG2 4.28Å; P409-T411 PolarHBondContact O-N 2.85Å; T411-A413 PolarHBondContact O-N 3.39Å; T411-A413 VanDerWaalsContact O-N 3.16Å; T411-G414 WeakPolarHBondContact O-CA 3.2Å; T411-G414 PolarHBondContact O-N 3.12Å; T411-G414 PolarHBondContact OG1-N 3.46Å; T411-V415 PolarHBondContact O-N 3.43Å
412P79.6Confident85.2Confident77 Ų7729.2 Ų29.250%0.515%0.152SC..Hα-helixtrans-56.4-30.2174.6-27.335.8000113.6R416 V461P412-R416 WeakPolarHBondContact O-CB 3.45Å; P412-R416 PolarHBondContact O-N 3.35Å; P412-R416 VanDerWaalsContact O-N 3.1Å; P412-V461 HydrophobicContact CB-CG2 3.87Å; P412-V461 HydrophobicContact CG-CG2 3.83Å
413A80.6Confident85.3Confident34 Ų3425.6 Ų25.628%0.28114%0.135SC..Hα-helixtrans-67.8-40.6171.800000111.8V371 T411 R416 F417V371-A413 HydrophobicContact CG1-CB 4Å; V371-A413 WeakPolarHBondContact CG1-O 3.36Å; T411-A413 PolarHBondContact O-N 3.39Å; T411-A413 VanDerWaalsContact O-N 3.16Å; A413-R416 PolarHBondContact O-N 3.5Å; A413-F417 WeakPolarHBondContact O-CB 3.46Å; A413-F417 PolarHBondContact O-N 2.93Å
414G83.9Confident85.3Confident0 Ų025.6 Ų25.60%014%0.135CC..Hα-helixtrans-62.7-46.717400000113.1T411 R416 F417 V418T411-G414 WeakPolarHBondContact O-CA 3.2Å; T411-G414 PolarHBondContact O-N 3.12Å; T411-G414 PolarHBondContact OG1-N 3.46Å; G414-R416 VanDerWaalsContact C-N 3.29Å; G414-R416 PolarHBondContact O-N 3.12Å; G414-F417 PolarHBondContact O-N 3.31Å; G414-F417 VanDerWaalsContact O-N 3.17Å; G414-V418 WeakPolarHBondContact O-CG2 3.32Å; G414-V418 PolarHBondContact O-N 2.98Å
415V81.6Confident85.3Confident11 Ų1125.6 Ų25.67%0.06714%0.135CC..Hα-helixtrans-57-43.4174.4175.40000111T411 S419 F455 A459 F465T411-V415 PolarHBondContact O-N 3.43Å; V415-S419 WeakPolarHBondContact O-CB 3.36Å; V415-S419 PolarHBondContact O-N 3.1Å; V415-S419 PolarHBondContact O-OG 3.15Å; V415-F455 HydrophobicContact CG2-CD1 3.94Å; V415-A459 HydrophobicContact CG2-CB 3.94Å; V415-F465 HydrophobicContact CG1-CD1 4.14Å; V415-F465 HydrophobicContact CG2-CE1 4.47Å
416R82.9Confident85.2Confident171 Ų17124.7 Ų24.765%0.64513%0.13SC*.Hα-helixtrans-67-40.2176.2-168.2177.7-170.8174.65.9112.8P412 A413 G414 S419 L420P412-R416 WeakPolarHBondContact O-CB 3.45Å; P412-R416 PolarHBondContact O-N 3.35Å; P412-R416 VanDerWaalsContact O-N 3.1Å; A413-R416 PolarHBondContact O-N 3.5Å; G414-R416 VanDerWaalsContact C-N 3.29Å; G414-R416 PolarHBondContact O-N 3.12Å; R416-S419 WeakPolarHBondContact O-CB 3.41Å; R416-S419 PolarHBondContact O-N 3.05Å; R416-L420 HydrophobicContact CG-CD1 4.32Å; R416-L420 WeakPolarHBondContact O-CG 3.45Å; R416-L420 PolarHBondContact O-N 3.2Å
417F87.9Confident85.2Confident0 Ų024.9 Ų24.90%013%0.132CC..Hα-helixtrans-62.5-47.2176.2174.1-100.8000112.2L366 V371 A374 L378 L403 P408 A413 G414 S419 L420 S421L366-F417 HydrophobicContact CD1-CD1 4.05Å; L366-F417 HydrophobicContact CD1-CE1 3.57Å; L366-F417 HydrophobicContact CD1-CE2 4.35Å; L366-F417 HydrophobicContact CD1-CZ 3.74Å; V371-F417 HydrophobicContact CG1-CB 3.77Å; V371-F417 HydrophobicContact CG1-CG 4.35Å; A374-F417 HydrophobicContact CB-CD2 4.05Å; A374-F417 HydrophobicContact CB-CE2 3.65Å; A374-F417 HydrophobicContact CB-CZ 4.38Å; L378-F417 HydrophobicContact CD2-CE2 4.19Å; L403-F417 HydrophobicContact CD1-CZ 4.33Å; L403-F417 HydrophobicContact CG-CZ 4.19Å; L403-F417 WeakPolarHBondContact O-CZ 3.36Å; P408-F417 HydrophobicContact CB-CD1 4.45Å; P408-F417 HydrophobicContact CG-CD1 4.17Å; A413-F417 WeakPolarHBondContact O-CB 3.46Å; A413-F417 PolarHBondContact O-N 2.93Å; G414-F417 PolarHBondContact O-N 3.31Å; G414-F417 VanDerWaalsContact O-N 3.17Å; F417-S419 VanDerWaalsContact C-N 3.28Å; F417-S419 PolarHBondContact O-N 3.17Å; F417-L420 PolarHBondContact O-N 3.11Å; F417-S421 WeakPolarHBondContact O-CB 3.23Å; F417-S421 PolarHBondContact O-N 2.91Å; F417-S421 PolarHBondContact O-OG 3.16Å
418V87.9Confident85.2Confident0 Ų021.5 Ų21.50%012%0.12CC..Hα-helixtrans-58.4-43.1175169.90000110.5P408 G414 S421 F422 W444 M448 F465P408-V418 HydrophobicContact CG-CG2 3.72Å; G414-V418 WeakPolarHBondContact O-CG2 3.32Å; G414-V418 PolarHBondContact O-N 2.98Å; V418-S421 PolarHBondContact O-N 3.48Å; V418-F422 PolarHBondContact O-N 3.38Å; V418-W444 HydrophobicContact CG1-CH2 4.18Å; V418-W444 HydrophobicContact CG1-CZ2 4.01Å; V418-W444 HydrophobicContact CG2-CZ2 4.46Å; V418-M448 HydrophobicContact CG1-CE 3.32Å; V418-M448 HydrophobicContact CG1-CG 4.18Å; V418-M448 HydrophobicContact CG1-SD 3.93Å; V418-F465 HydrophobicContact CB-CD1 3.96Å; V418-F465 HydrophobicContact CB-CE1 4.37Å; V418-F465 HydrophobicContact CB-CG 4.49Å; V418-F465 HydrophobicContact CG1-CB 4.06Å; V418-F465 HydrophobicContact CG1-CD1 3.59Å; V418-F465 HydrophobicContact CG1-CD2 4.21Å; V418-F465 HydrophobicContact CG1-CE1 4.06Å; V418-F465 HydrophobicContact CG1-CG 3.68Å
419S86.1Confident85Confident17 Ų1722 Ų2212%0.11912%0.122CC..Hα-helixtrans-62.8-44.4178.2-60.20000112.9V415 R416 F417 C423V415-S419 WeakPolarHBondContact O-CB 3.36Å; V415-S419 PolarHBondContact O-N 3.1Å; V415-S419 PolarHBondContact O-OG 3.15Å; R416-S419 WeakPolarHBondContact O-CB 3.41Å; R416-S419 PolarHBondContact O-N 3.05Å; F417-S419 VanDerWaalsContact C-N 3.28Å; F417-S419 PolarHBondContact O-N 3.17Å; S419-C423 PolarHBondContact O-N 3.12Å; S419-C423 PolarHBondContact O-SG 3.27Å; S419-C423 VanDerWaalsContact O-SG 3.42Å
420L87.9Confident84.8Confident9 Ų924.6 Ų24.65%0.04714%0.138CC..Hα-helixtrans-65.6-39.5175.3-70.1170.4000111.9L378 R416 F417 C423 K424 T491 L492L378-L420 HydrophobicContact CD2-CB 3.92Å; R416-L420 HydrophobicContact CG-CD1 4.32Å; R416-L420 WeakPolarHBondContact O-CG 3.45Å; R416-L420 PolarHBondContact O-N 3.2Å; F417-L420 PolarHBondContact O-N 3.11Å; L420-C423 PolarHBondContact O-N 2.89Å; L420-K424 VanDerWaalsContact O-CB 3.28Å; L420-K424 WeakPolarHBondContact O-CB 3.48Å; L420-K424 PolarHBondContact O-N 3.41Å; L420-T491 WeakPolarHBondContact CD2-O 3.35Å; L420-L492 HydrophobicContact CD2-CD2 3.91Å
421S89.3Confident84.7Confident0 Ų023.7 Ų23.70%013%0.13CC..Hα-helixtrans-63.2-45.7177.3-63.70000111.7L378 F417 V418 K424 L425L378-S421 WeakPolarHBondContact CD2-OG 3.3Å; F417-S421 WeakPolarHBondContact O-CB 3.23Å; F417-S421 PolarHBondContact O-N 2.91Å; F417-S421 PolarHBondContact O-OG 3.16Å; V418-S421 PolarHBondContact O-N 3.48Å; S421-K424 PolarHBondContact O-N 2.79Å; S421-L425 WeakPolarHBondContact O-CG 3.34Å; S421-L425 PolarHBondContact O-N 3.33Å
422F88.3Confident84.5Confident0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-61.1-49174.2175-124.3000112.1V418 K424 L425 L426 W444 L445 M448 M468 L469 V472 F510V418-F422 PolarHBondContact O-N 3.38Å; F422-K424 VanDerWaalsContact C-N 3.26Å; F422-K424 PolarHBondContact O-N 3.29Å; F422-L425 PolarHBondContact O-N 2.96Å; F422-L426 HydrophobicContact CE1-CD2 4.13Å; F422-L426 HydrophobicContact CE2-CD2 4.38Å; F422-L426 HydrophobicContact CZ-CD2 3.87Å; F422-L426 VanDerWaalsContact O-CB 3.26Å; F422-L426 WeakPolarHBondContact O-CB 3.43Å; F422-L426 PolarHBondContact O-N 2.66Å; F422-W444 HydrophobicContact CB-CH2 4.37Å; F422-W444 HydrophobicContact CB-CZ3 4.41Å; F422-L445 HydrophobicContact CD2-CD2 3.87Å; F422-L445 HydrophobicContact CE2-CD2 4.13Å; F422-M448 HydrophobicContact CB-CE 4.42Å; F422-M468 HydrophobicContact CD1-CE 3.92Å; F422-M468 HydrophobicContact CD1-CG 4.4Å; F422-M468 HydrophobicContact CD1-SD 4.45Å; F422-M468 HydrophobicContact CE1-CG 4.33Å; F422-L469 HydrophobicContact CD1-CD2 4.25Å; F422-L469 HydrophobicContact CD2-CD2 4.03Å; F422-L469 HydrophobicContact CE1-CD2 3.96Å; F422-L469 HydrophobicContact CE2-CD2 3.77Å; F422-L469 HydrophobicContact CG-CD2 4.27Å; F422-L469 HydrophobicContact CZ-CD2 3.7Å; F422-V472 HydrophobicContact CE1-CB 4.2Å; F422-V472 HydrophobicContact CE1-CG2 3.9Å; F422-V472 HydrophobicContact CZ-CB 4Å; F422-V472 HydrophobicContact CZ-CG1 3.9Å; F422-V472 HydrophobicContact CZ-CG2 4.12Å; F422-F510 HydrophobicContact CE2-CE1 4.34Å; F422-F510 AromaticContact CE2-CE2 3.95Å; F422-F510 HydrophobicContact CE2-CE2 3.95Å; F422-F510 AromaticContact CE2-CZ 3.42Å; F422-F510 HydrophobicContact CE2-CZ 3.42Å; F422-F510 VanDerWaalsContact CE2-CZ 3.42Å; F422-F510 HydrophobicContact CZ-CE1 4.14Å; F422-F510 HydrophobicContact CZ-CE2 4.45Å; F422-F510 AromaticContact CZ-CZ 3.66Å; F422-F510 HydrophobicContact CZ-CZ 3.66Å
423C88.1Confident84.4Confident1 Ų123.5 Ų23.51%0.00713%0.132CC..Hα-helixtrans-63.7-29.6177.6-69.90000113.2S419 L420 A427 V488 T491 L492S419-C423 PolarHBondContact O-N 3.12Å; S419-C423 PolarHBondContact O-SG 3.27Å; S419-C423 VanDerWaalsContact O-SG 3.42Å; L420-C423 PolarHBondContact O-N 2.89Å; C423-A427 VanDerWaalsContact O-CB 3.24Å; C423-A427 WeakPolarHBondContact O-CB 3.39Å; C423-A427 PolarHBondContact O-N 2.96Å; C423-V488 HydrophobicContact CB-CG1 4.25Å; C423-V488 HydrophobicContact CB-CG2 4.36Å; C423-T491 HydrophobicContact CB-CG2 4.5Å; C423-L492 HydrophobicContact CB-CD1 4.42Å; C423-L492 HydrophobicContact CB-CD2 3.87Å; C423-L492 HydrophobicContact CB-CG 3.91Å
424K88.4Confident84.6Confident0 Ų024.7 Ų24.70%014%0.135CC..Hα-helixtrans-72.6-44.5175.1176.643.2145.71720112.2L378 Y381 C382 M385 M404 L420 S421 F422 L426 A427 F428 L431L378-K424 HydrophobicContact CD1-CB 4.28Å; L378-K424 HydrophobicContact CD1-CG 3.82Å; L378-K424 HydrophobicContact CG-CG 4.5Å; Y381-K424 PolarHBondContact O-NZ 3.02Å; C382-K424 WeakPolarHBondContact SG-CD 3.24Å; C382-K424 VanDerWaalsContact SG-CE 3.57Å; M385-K424 PolarHBondContact SD-NZ 3.27Å; M404-K424 HydrophobicContact SD-CB 3.83Å; M404-K424 HydrophobicContact SD-CG 3.47Å; M404-K424 WeakPolarHBondContact SD-CG 3.45Å; L420-K424 VanDerWaalsContact O-CB 3.28Å; L420-K424 WeakPolarHBondContact O-CB 3.48Å; L420-K424 PolarHBondContact O-N 3.41Å; S421-K424 PolarHBondContact O-N 2.79Å; F422-K424 VanDerWaalsContact C-N 3.26Å; F422-K424 PolarHBondContact O-N 3.29Å; K424-L426 VanDerWaalsContact C-N 3.32Å; K424-L426 PolarHBondContact O-N 3.29Å; K424-A427 PolarHBondContact O-N 3.05Å; K424-F428 HydrophobicContact CD-CB 4.42Å; K424-F428 HydrophobicContact CD-CD2 3.32Å; K424-F428 HydrophobicContact CD-CE2 3.84Å; K424-F428 HydrophobicContact CD-CG 4.15Å; K424-F428 VanDerWaalsContact NZ-CE2 3.34Å; K424-F428 PolarHBondContact O-N 3.21Å; K424-L431 HydrophobicContact CD-CD1 4.42Å
425L88.3Confident84.4Confident1 Ų129.5 Ų29.51%0.00517%0.166CC..Hα-helixtrans-57.3-46.1171.4-74.1166000111.4L401 M404 S421 F422 A427 F428 V432 M441 W444 M506L401-L425 HydrophobicContact CD1-CD2 3.7Å; M404-L425 HydrophobicContact CE-CD2 3.56Å; M404-L425 HydrophobicContact CE-CG 3.96Å; M404-L425 HydrophobicContact SD-CD2 4.2Å; M404-L425 HydrophobicContact SD-CG 3.9Å; S421-L425 WeakPolarHBondContact O-CG 3.34Å; S421-L425 PolarHBondContact O-N 3.33Å; F422-L425 PolarHBondContact O-N 2.96Å; L425-A427 PolarHBondContact O-N 2.79Å; L425-F428 CarbonylContact O-C 3.15Å; L425-F428 PolarHBondContact O-N 3.45Å; L425-V432 HydrophobicContact CD2-CG2 4.04Å; L425-M441 HydrophobicContact CD1-CG 4.19Å; L425-M441 HydrophobicContact CD2-CG 4.49Å; L425-M441 HydrophobicContact CD2-SD 4.23Å; L425-W444 HydrophobicContact CD1-CE3 4.1Å; L425-W444 HydrophobicContact CD1-CZ3 3.78Å; L425-M506 HydrophobicContact CB-CE 4.15Å
426L86.3Confident84.4Confident1 Ų136.4 Ų36.41%0.00520%0.198CC..Hα-helixtrans-65.5-36.8179.9-173.754.9000112.9F422 K424 V472 F476 I484 V488 L503 M506F422-L426 HydrophobicContact CE1-CD2 4.13Å; F422-L426 HydrophobicContact CE2-CD2 4.38Å; F422-L426 HydrophobicContact CZ-CD2 3.87Å; F422-L426 VanDerWaalsContact O-CB 3.26Å; F422-L426 WeakPolarHBondContact O-CB 3.43Å; F422-L426 PolarHBondContact O-N 2.66Å; K424-L426 VanDerWaalsContact C-N 3.32Å; K424-L426 PolarHBondContact O-N 3.29Å; L426-V472 HydrophobicContact CD1-CG1 4.46Å; L426-V472 HydrophobicContact CD2-CG1 3.9Å; L426-V472 HydrophobicContact CD2-CG2 3.97Å; L426-F476 HydrophobicContact CD1-CE2 4.08Å; L426-F476 HydrophobicContact CD1-CZ 3.68Å; L426-I484 HydrophobicContact CD1-CG2 4.18Å; L426-I484 HydrophobicContact CD2-CG2 3.73Å; L426-I484 HydrophobicContact CG-CG2 4.05Å; L426-V488 HydrophobicContact CB-CG2 4.38Å; L426-V488 HydrophobicContact CD2-CG2 3.56Å; L426-V488 HydrophobicContact CG-CG2 3.92Å; L426-L503 HydrophobicContact CD1-CD2 3.67Å; L426-L503 HydrophobicContact CG-CD2 4.27Å; L426-L503 WeakPolarHBondContact O-CD2 3.24Å; L426-M506 HydrophobicContact CB-CE 4.43Å; L426-M506 HydrophobicContact CD1-CB 4.49Å; L426-M506 HydrophobicContact CD1-CE 4.45Å; L426-M506 HydrophobicContact CD1-CG 3.7Å
427A85.6Confident84.4Confident8 Ų830 Ų307%0.06618%0.176CC..Hα-helixtrans-76.3-30.3175.800000114.1C423 K424 L425 V488 L492 I498C423-A427 VanDerWaalsContact O-CB 3.24Å; C423-A427 WeakPolarHBondContact O-CB 3.39Å; C423-A427 PolarHBondContact O-N 2.96Å; K424-A427 PolarHBondContact O-N 3.05Å; L425-A427 PolarHBondContact O-N 2.79Å; A427-V488 HydrophobicContact CB-CG1 3.92Å; A427-L492 HydrophobicContact CB-CD1 4.47Å; A427-I498 HydrophobicContact CB-CD1 3.73Å; A427-I498 HydrophobicContact CB-CG1 4.13Å
428F86Confident84.1Confident24 Ų2432.4 Ų32.411%0.10519%0.187CC..  trans-131.565.5-175.3-56.8-93.5000113.5M385 K424 L425 T430 L431 I496M385-F428 HydrophobicContact CB-CD1 3.83Å; M385-F428 HydrophobicContact CB-CE1 3.34Å; M385-F428 HydrophobicContact CB-CZ 3.81Å; M385-F428 HydrophobicContact SD-CD1 4.09Å; M385-F428 HydrophobicContact SD-CG 4.33Å; K424-F428 HydrophobicContact CD-CB 4.42Å; K424-F428 HydrophobicContact CD-CD2 3.32Å; K424-F428 HydrophobicContact CD-CE2 3.84Å; K424-F428 HydrophobicContact CD-CG 4.15Å; K424-F428 VanDerWaalsContact NZ-CE2 3.34Å; K424-F428 PolarHBondContact O-N 3.21Å; L425-F428 CarbonylContact O-C 3.15Å; L425-F428 PolarHBondContact O-N 3.45Å; F428-T430 PolarHBondContact O-N 3.46Å; F428-L431 HydrophobicContact CB-CD1 4.15Å; F428-L431 HydrophobicContact CB-CG 4.38Å; F428-L431 PolarHBondContact O-N 3.39Å; F428-L431 VanDerWaalsContact O-N 3.08Å; F428-I496 HydrophobicContact CE2-CD1 4.06Å; F428-I496 HydrophobicContact CZ-CD1 4.09Å; F428-I496 HydrophobicContact CZ-CG2 4.11Å
429P79.8Confident83.9Confident19 Ų1938.7 Ų38.712%0.12322%0.216CC..G310 helixtrans-60.5-11.1179.3-26.437.6000115.3L431 V432P429-L431 PolarHBondContact O-N 2.85Å; P429-V432 PolarHBondContact O-N 3.41Å
430T77.6Confident83.8Confident97 Ų9740.9 Ų40.960%0.59523%0.226SC*.G310 helixtrans-62.9-16.6171.950.40000113.8F428 V432 S433F428-T430 PolarHBondContact O-N 3.46Å; T430-V432 PolarHBondContact O-N 3.3Å; T430-S433 PolarHBondContact O-OG 3.42Å
431L79.1Confident83.6Confident2 Ų240.6 Ų40.61%0.0123%0.225CC..G310 helixtrans-71.3-9.4171-63.1172.6000112.9M385 P392 A397 M404 K424 F428 P429M385-L431 HydrophobicContact CE-CD1 4.45Å; M385-L431 HydrophobicContact CE-CD2 4.09Å; M385-L431 HydrophobicContact SD-CD2 4.45Å; P392-L431 HydrophobicContact CG-CD2 4.01Å; A397-L431 HydrophobicContact CB-CD2 3.85Å; M404-L431 HydrophobicContact CE-CD1 3.82Å; K424-L431 HydrophobicContact CD-CD1 4.42Å; F428-L431 HydrophobicContact CB-CD1 4.15Å; F428-L431 HydrophobicContact CB-CG 4.38Å; F428-L431 PolarHBondContact O-N 3.39Å; F428-L431 VanDerWaalsContact O-N 3.08Å; P429-L431 PolarHBondContact O-N 2.85Å
432V80.1Confident83.4Confident6 Ų642 Ų424%0.03623%0.233CC..  trans-12170.3-177.3-173.90000108.7L401 L425 P429 T430 Q437 E438 M441 K505L401-V432 HydrophobicContact CD1-CG2 4.24Å; L425-V432 HydrophobicContact CD2-CG2 4.04Å; P429-V432 PolarHBondContact O-N 3.41Å; T430-V432 PolarHBondContact O-N 3.3Å; V432-Q437 HydrophobicContact CG1-CB 4.22Å; V432-E438 VanDerWaalsContact CG1-CA 3.42Å; V432-E438 HydrophobicContact CG1-CB 3.73Å; V432-E438 HydrophobicContact CG1-CG 4.27Å; V432-M441 HydrophobicContact CG2-SD 3.91Å; V432-K505 PolarHBondContact O-NZ 3.12Å
433S77.6Confident83.2Confident93 Ų9346.9 Ų46.965%0.6526%0.257SS*.  trans-97.6-24.7-171.6-72.50000113.8T430T430-S433 PolarHBondContact O-OG 3.42Å
434T83.2Confident83.1Confident58 Ų5847.2 Ų47.236%0.35626%0.258SS..SBendtrans-102.9155.817574.50000111.7E436 Q437 E438T434-E436 VanDerWaalsContact C-N 3.26Å; T434-E436 PolarHBondContact O-N 3.05Å; T434-Q437 PolarHBondContact O-N 3Å; T434-Q437 WeakPolarHBondContact OG1-CG 3.21Å; T434-Q437 PolarHBondContact OG1-N 3.19Å; T434-Q437 PolarHBondContact OG1-OE1 3.08Å; T434-E438 PolarHBondContact O-N 3.14Å; T434-E438 VanDerWaalsContact O-N 3.14Å
435P81.1Confident83Confident101 Ų10147.2 Ų47.266%0.65626%0.258SS*.Hα-helixtrans-65-28.3177.925.6-35000113.1E438 Q439P435-E438 WeakPolarHBondContact O-CB 3.31Å; P435-E438 PolarHBondContact O-N 3.24Å; P435-Q439 PolarHBondContact O-N 3.2Å
436E81.6Confident82.7Confident156 Ų15650 Ų5073%0.72928%0.277SS*.Hα-helixtrans-67.5-43.5176.2-64.1173.3-17700111.4T434 E438 Q439 L440T434-E436 VanDerWaalsContact C-N 3.26Å; T434-E436 PolarHBondContact O-N 3.05Å; E436-E438 VanDerWaalsContact C-N 3.26Å; E436-E438 PolarHBondContact O-N 3.22Å; E436-Q439 PolarHBondContact O-N 3.42Å; E436-L440 VanDerWaalsContact O-CB 3.25Å; E436-L440 WeakPolarHBondContact O-CB 3.21Å; E436-L440 PolarHBondContact O-N 3.13Å
437Q82.2Confident82.7Confident38 Ų3851.3 Ų51.318%0.17828%0.282CS..Hα-helixtrans-61.3-36.3172.6-69.9169.9-15.500111.7L401 V432 T434 M441L401-Q437 HydrophobicContact CD2-CB 3.54Å; L401-Q437 HydrophobicContact CD2-CG 3.59Å; V432-Q437 HydrophobicContact CG1-CB 4.22Å; T434-Q437 PolarHBondContact O-N 3Å; T434-Q437 WeakPolarHBondContact OG1-CG 3.21Å; T434-Q437 PolarHBondContact OG1-N 3.19Å; T434-Q437 PolarHBondContact OG1-OE1 3.08Å; Q437-M441 WeakPolarHBondContact O-CB 3.41Å; Q437-M441 PolarHBondContact O-N 3.29Å
438E82.4Confident82.6Confident49 Ų4951 Ų5123%0.22928%0.279CS..Hα-helixtrans-70.8-47.6179.8-171.9162-166.200112V432 T434 P435 E436 L440 M441 V442 K505 I509V432-E438 VanDerWaalsContact CG1-CA 3.42Å; V432-E438 HydrophobicContact CG1-CB 3.73Å; V432-E438 HydrophobicContact CG1-CG 4.27Å; T434-E438 PolarHBondContact O-N 3.14Å; T434-E438 VanDerWaalsContact O-N 3.14Å; P435-E438 WeakPolarHBondContact O-CB 3.31Å; P435-E438 PolarHBondContact O-N 3.24Å; E436-E438 VanDerWaalsContact C-N 3.26Å; E436-E438 PolarHBondContact O-N 3.22Å; E438-L440 VanDerWaalsContact C-N 3.31Å; E438-L440 PolarHBondContact O-N 3.26Å; E438-M441 PolarHBondContact O-N 2.89Å; E438-V442 WeakPolarHBondContact O-CG2 3.38Å; E438-V442 PolarHBondContact O-N 3.21Å; E438-K505 VanDerWaalsContact CD-NZ 3.27Å; E438-K505 WeakPolarHBondContact OE1-CE 3.17Å; E438-K505 IonicContact OE1-NZ 3.2Å; E438-K505 PolarHBondContact OE1-NZ 3.13Å; E438-K505 WeakPolarHBondContact OE2-CE 3.25Å; E438-K505 IonicContact OE2-NZ 2.74Å; E438-K505 PolarHBondContact OE2-NZ 3.18Å; E438-I509 HydrophobicContact CG-CD1 4.17Å; E438-I509 WeakPolarHBondContact OE1-CD1 3.36Å
439Q83.3Confident82.2Confident132 Ų13251.6 Ų51.662%0.61728%0.284SS*.Hα-helixtrans-59.6-41.7173.2-175.8175.5-2.500111.6P435 E436 V442 M443P435-Q439 PolarHBondContact O-N 3.2Å; E436-Q439 PolarHBondContact O-N 3.42Å; Q439-V442 PolarHBondContact O-N 3.02Å; Q439-M443 HydrophobicContact CG-SD 4.32Å; Q439-M443 WeakPolarHBondContact O-CB 3.1Å; Q439-M443 WeakPolarHBondContact O-CG 3.38Å; Q439-M443 PolarHBondContact O-N 3.4Å
440L83.6Confident82.2Confident63 Ų6358.1 Ų58.133%0.3331%0.31SS..Hα-helixtrans-64.8-39.6177.2179.4146.8000112L401 T405 E436 E438 W444L401-L440 HydrophobicContact CD2-CD2 4.08Å; L401-L440 HydrophobicContact CG-CD2 4.02Å; T405-L440 HydrophobicContact CG2-CD2 3.85Å; T405-L440 WeakPolarHBondContact OG1-CD2 3.44Å; E436-L440 VanDerWaalsContact O-CB 3.25Å; E436-L440 WeakPolarHBondContact O-CB 3.21Å; E436-L440 PolarHBondContact O-N 3.13Å; E438-L440 VanDerWaalsContact C-N 3.31Å; E438-L440 PolarHBondContact O-N 3.26Å; L440-W444 PolarHBondContact O-N 2.9Å
441M84.6Confident82.3Confident4 Ų455.6 Ų55.62%0.0229%0.291CS..Hα-helixtrans-63.3-45.9171.6-175.8-171.269.100111.9L425 V432 Q437 E438 M443 W444 L445 M506 I509L425-M441 HydrophobicContact CD1-CG 4.19Å; L425-M441 HydrophobicContact CD2-CG 4.49Å; L425-M441 HydrophobicContact CD2-SD 4.23Å; V432-M441 HydrophobicContact CG2-SD 3.91Å; Q437-M441 WeakPolarHBondContact O-CB 3.41Å; Q437-M441 PolarHBondContact O-N 3.29Å; E438-M441 PolarHBondContact O-N 2.89Å; M441-M443 VanDerWaalsContact C-N 3.34Å; M441-M443 PolarHBondContact O-N 3.5Å; M441-W444 PolarHBondContact O-N 2.86Å; M441-L445 HydrophobicContact CE-CD1 4.34Å; M441-L445 HydrophobicContact CG-CD1 3.95Å; M441-L445 HydrophobicContact CG-CG 4.43Å; M441-L445 WeakPolarHBondContact O-CG 3.48Å; M441-L445 PolarHBondContact O-N 2.81Å; M441-L445 HydrophobicContact SD-CD1 4.42Å; M441-M506 HydrophobicContact CE-CE 4.36Å; M441-M506 HydrophobicContact CE-SD 3.91Å; M441-M506 HydrophobicContact SD-CE 3.88Å; M441-M506 HydrophobicContact SD-SD 4.22Å; M441-I509 HydrophobicContact CE-CD1 3.61Å; M441-I509 HydrophobicContact CE-CG2 4.4Å
442V83.6Confident82Confident29 Ų2956.5 Ų56.518%0.17630%0.295CS..Hα-helixtrans-63.1-40.3178.9172.30000111.3E438 Q439 W444 L445 S446 I509 I514E438-V442 WeakPolarHBondContact O-CG2 3.38Å; E438-V442 PolarHBondContact O-N 3.21Å; Q439-V442 PolarHBondContact O-N 3.02Å; V442-W444 VanDerWaalsContact C-N 3.35Å; V442-W444 PolarHBondContact O-N 3.21Å; V442-L445 PolarHBondContact O-N 3.04Å; V442-S446 WeakPolarHBondContact O-CB 3.27Å; V442-S446 PolarHBondContact O-N 3.48Å; V442-S446 PolarHBondContact O-OG 3.41Å; V442-I509 HydrophobicContact CG2-CG2 3.69Å; V442-I514 HydrophobicContact CG1-CG1 4.37Å; V442-I514 HydrophobicContact CG2-CD1 4.49Å
443M84.1Confident81.6Confident102 Ų10262.7 Ų62.750%0.50232%0.324SS..Hα-helixtrans-63.4-37.8174.5-75.4179.463.800112.5Q439 M441 W447Q439-M443 HydrophobicContact CG-SD 4.32Å; Q439-M443 WeakPolarHBondContact O-CB 3.1Å; Q439-M443 WeakPolarHBondContact O-CG 3.38Å; Q439-M443 PolarHBondContact O-N 3.4Å; M441-M443 VanDerWaalsContact C-N 3.34Å; M441-M443 PolarHBondContact O-N 3.5Å; M443-W447 WeakPolarHBondContact O-CB 3.41Å; M443-W447 PolarHBondContact O-N 2.88Å
444W87.6Confident81.5Confident9 Ų964.7 Ų64.73%0.03432%0.318CS..Hα-helixtrans-70.5-42.4175.6-177.778000112.5M404 T405 S406 V418 F422 L425 L440 M441 V442 S446 W447 M448M404-W444 WeakPolarHBondContact O-CZ2 3.31Å; T405-W444 VanDerWaalsContact C-CD1 3.47Å; T405-W444 VanDerWaalsContact CA-CD1 3.44Å; T405-W444 HydrophobicContact CG2-CB 3.83Å; T405-W444 HydrophobicContact CG2-CD2 4.05Å; T405-W444 HydrophobicContact CG2-CE3 4.33Å; T405-W444 HydrophobicContact CG2-CG 3.83Å; T405-W444 PolarHBondContact O-NE1 3.31Å; S406-W444 PolarHBondContact O-NE1 3.48Å; V418-W444 HydrophobicContact CG1-CH2 4.18Å; V418-W444 HydrophobicContact CG1-CZ2 4.01Å; V418-W444 HydrophobicContact CG2-CZ2 4.46Å; F422-W444 HydrophobicContact CB-CH2 4.37Å; F422-W444 HydrophobicContact CB-CZ3 4.41Å; L425-W444 HydrophobicContact CD1-CE3 4.1Å; L425-W444 HydrophobicContact CD1-CZ3 3.78Å; L440-W444 PolarHBondContact O-N 2.9Å; M441-W444 PolarHBondContact O-N 2.86Å; V442-W444 VanDerWaalsContact C-N 3.35Å; V442-W444 PolarHBondContact O-N 3.21Å; W444-S446 PolarHBondContact O-N 2.97Å; W444-W447 AromaticContact CD1-CE3 3.81Å; W444-W447 AromaticContact NE1-CE3 3.79Å; W444-W447 AromaticContact NE1-CZ3 3.74Å; W444-W447 WeakPolarHBondContact O-CB 3.31Å; W444-W447 PolarHBondContact O-N 3.49Å; W444-W447 VanDerWaalsContact O-N 3.14Å; W444-M448 HydrophobicContact CD2-CG 4.36Å; W444-M448 HydrophobicContact CD2-SD 4.16Å; W444-M448 HydrophobicContact CE3-CG 4.47Å; W444-M448 HydrophobicContact CE3-SD 3.74Å; W444-M448 HydrophobicContact CH2-CE 4.39Å; W444-M448 HydrophobicContact CH2-CG 4.43Å; W444-M448 HydrophobicContact CH2-SD 3.39Å; W444-M448 WeakPolarHBondContact CH2-SD 3.31Å; W444-M448 HydrophobicContact CZ2-CG 4.31Å; W444-M448 HydrophobicContact CZ2-SD 3.84Å; W444-M448 HydrophobicContact CZ3-SD 3.33Å; W444-M448 WeakPolarHBondContact CZ3-SD 3.45Å; W444-M448 PolarHBondContact O-N 3.25Å
445L84.8Confident81Confident0 Ų062.4 Ų62.40%030%0.304CS..Hα-helixtrans-64-39.6175-68.3168.4000111.9F422 M441 V442 W447 M448 I449 L469 F510 I514F422-L445 HydrophobicContact CD2-CD2 3.87Å; F422-L445 HydrophobicContact CE2-CD2 4.13Å; M441-L445 HydrophobicContact CE-CD1 4.34Å; M441-L445 HydrophobicContact CG-CD1 3.95Å; M441-L445 HydrophobicContact CG-CG 4.43Å; M441-L445 WeakPolarHBondContact O-CG 3.48Å; M441-L445 PolarHBondContact O-N 2.81Å; M441-L445 HydrophobicContact SD-CD1 4.42Å; V442-L445 PolarHBondContact O-N 3.04Å; L445-W447 VanDerWaalsContact C-N 3.29Å; L445-W447 PolarHBondContact O-N 3.01Å; L445-M448 HydrophobicContact CD2-SD 3.99Å; L445-M448 WeakPolarHBondContact O-CB 3.27Å; L445-M448 PolarHBondContact O-N 3.44Å; L445-I449 WeakPolarHBondContact O-CG1 3.44Å; L445-I449 PolarHBondContact O-N 3.32Å; L445-L469 HydrophobicContact CD2-CD2 3.94Å; L445-F510 HydrophobicContact CD1-CE2 3.82Å; L445-F510 HydrophobicContact CD1-CZ 4.27Å; L445-F510 HydrophobicContact CD2-CZ 4.25Å; L445-I514 HydrophobicContact CB-CD1 3.75Å; L445-I514 HydrophobicContact CD1-CD1 3.47Å; L445-I514 VanDerWaalsContact CD1-CD1 3.47Å; L445-I514 HydrophobicContact CG-CD1 4.25Å
446S82.6Confident80.4Confident58 Ų5862.5 Ų62.541%0.40630%0.295SS..Hα-helixtrans-63.6-34.5172.6-55.70000112.3V442 W444 K450V442-S446 WeakPolarHBondContact O-CB 3.27Å; V442-S446 PolarHBondContact O-N 3.48Å; V442-S446 PolarHBondContact O-OG 3.41Å; W444-S446 PolarHBondContact O-N 2.97Å; S446-K450 PolarHBondContact O-N 3.03Å
447W86.5Confident79.9Confident30 Ų3059.6 Ų59.611%0.11429%0.292CS..Hα-helixtrans-67.8-42.8173.2169.578.7000111.9R407 M443 W444 L445 I449 K450 E451 F455R407-W447 HydrophobicContact CB-CH2 4.13Å; R407-W447 HydrophobicContact CB-CZ2 4.03Å; R407-W447 HydrophobicContact CG-CD2 4.21Å; R407-W447 HydrophobicContact CG-CE3 4.36Å; R407-W447 HydrophobicContact CG-CH2 3.88Å; R407-W447 HydrophobicContact CG-CZ2 3.66Å; R407-W447 HydrophobicContact CG-CZ3 4.21Å; M443-W447 WeakPolarHBondContact O-CB 3.41Å; M443-W447 PolarHBondContact O-N 2.88Å; W444-W447 AromaticContact CD1-CE3 3.81Å; W444-W447 AromaticContact NE1-CE3 3.79Å; W444-W447 AromaticContact NE1-CZ3 3.74Å; W444-W447 WeakPolarHBondContact O-CB 3.31Å; W444-W447 PolarHBondContact O-N 3.49Å; W444-W447 VanDerWaalsContact O-N 3.14Å; L445-W447 VanDerWaalsContact C-N 3.29Å; L445-W447 PolarHBondContact O-N 3.01Å; W447-I449 VanDerWaalsContact C-N 3.33Å; W447-I449 PolarHBondContact O-N 2.96Å; W447-K450 PolarHBondContact O-N 2.97Å; W447-K450 VanDerWaalsContact O-N 3.17Å; W447-E451 HydrophobicContact CD2-CG 4.45Å; W447-E451 HydrophobicContact CG-CG 4.4Å; W447-E451 HydrophobicContact CZ2-CG 4.27Å; W447-E451 VanDerWaalsContact NE1-CG 3.32Å; W447-E451 WeakPolarHBondContact O-CG 3.48Å; W447-E451 PolarHBondContact O-N 3.18Å; W447-F455 AromaticContact CH2-CE2 3.91Å; W447-F455 HydrophobicContact CH2-CE2 3.91Å; W447-F455 AromaticContact CH2-CZ 3.99Å; W447-F455 HydrophobicContact CH2-CZ 3.99Å; W447-F455 AromaticContact CZ2-CE2 3.91Å; W447-F455 HydrophobicContact CZ2-CE2 3.91Å; W447-F455 HydrophobicContact CZ2-CZ 4.28Å
448M82.7Confident79.1Confident0 Ų060.3 Ų60.30%031%0.305CS..Hα-helixtrans-55.7-46.8175.4-69.7177.665.600112V418 F422 W444 L445 K450 E451 E452 F465 L469V418-M448 HydrophobicContact CG1-CE 3.32Å; V418-M448 HydrophobicContact CG1-CG 4.18Å; V418-M448 HydrophobicContact CG1-SD 3.93Å; F422-M448 HydrophobicContact CB-CE 4.42Å; W444-M448 HydrophobicContact CD2-CG 4.36Å; W444-M448 HydrophobicContact CD2-SD 4.16Å; W444-M448 HydrophobicContact CE3-CG 4.47Å; W444-M448 HydrophobicContact CE3-SD 3.74Å; W444-M448 HydrophobicContact CH2-CE 4.39Å; W444-M448 HydrophobicContact CH2-CG 4.43Å; W444-M448 HydrophobicContact CH2-SD 3.39Å; W444-M448 WeakPolarHBondContact CH2-SD 3.31Å; W444-M448 HydrophobicContact CZ2-CG 4.31Å; W444-M448 HydrophobicContact CZ2-SD 3.84Å; W444-M448 HydrophobicContact CZ3-SD 3.33Å; W444-M448 WeakPolarHBondContact CZ3-SD 3.45Å; W444-M448 PolarHBondContact O-N 3.25Å; L445-M448 HydrophobicContact CD2-SD 3.99Å; L445-M448 WeakPolarHBondContact O-CB 3.27Å; L445-M448 PolarHBondContact O-N 3.44Å; M448-K450 VanDerWaalsContact C-N 3.3Å; M448-K450 PolarHBondContact O-N 3.32Å; M448-E451 PolarHBondContact O-N 3.01Å; M448-E452 PolarHBondContact O-N 3.31Å; M448-E452 VanDerWaalsContact O-N 3.17Å; M448-F465 HydrophobicContact CB-CD2 4.27Å; M448-F465 HydrophobicContact CB-CE2 4.13Å; M448-F465 HydrophobicContact CE-CB 3.83Å; M448-F465 HydrophobicContact CE-CD2 3.57Å; M448-F465 HydrophobicContact CE-CE2 4.4Å; M448-F465 HydrophobicContact CE-CG 3.84Å; M448-L469 HydrophobicContact CB-CD1 3.72Å; M448-L469 HydrophobicContact CE-CD1 3.72Å; M448-L469 HydrophobicContact CE-CD2 4.21Å; M448-L469 HydrophobicContact CE-CG 3.91Å; M448-L469 HydrophobicContact SD-CD1 4.26Å
449I77.8Confident78.2Confident38 Ų3858.7 Ų58.720%0.19530%0.3CS..Hα-helixtrans-63.1-37.6-179.9-62.9164.6000111.3L445 W447 E452 L469 I514 F515L445-I449 WeakPolarHBondContact O-CG1 3.44Å; L445-I449 PolarHBondContact O-N 3.32Å; W447-I449 VanDerWaalsContact C-N 3.33Å; W447-I449 PolarHBondContact O-N 2.96Å; I449-E452 WeakPolarHBondContact O-CG 3.46Å; I449-L469 HydrophobicContact CG1-CD1 3.89Å; I449-I514 HydrophobicContact CD1-CG2 3.35Å; I449-F515 HydrophobicContact CD1-CD1 4.48Å; I449-F515 HydrophobicContact CD1-CD2 4.28Å; I449-F515 HydrophobicContact CD1-CE1 3.83Å; I449-F515 HydrophobicContact CD1-CE2 3.6Å; I449-F515 HydrophobicContact CD1-CZ 3.36Å; I449-F515 HydrophobicContact CG1-CE1 4.21Å; I449-F515 HydrophobicContact CG1-CE2 4.14Å; I449-F515 HydrophobicContact CG1-CZ 3.59Å
450K79.9Confident76.9Confident156 Ų15655.7 Ų55.768%0.67830%0.304SS*.Hα-helixtrans-72.3-34.8-179-178.4174.6169.6-78.70113.2S446 W447 M448S446-K450 PolarHBondContact O-N 3.03Å; W447-K450 PolarHBondContact O-N 2.97Å; W447-K450 VanDerWaalsContact O-N 3.17Å; M448-K450 VanDerWaalsContact C-N 3.3Å; M448-K450 PolarHBondContact O-N 3.32Å
451E78.9Confident75.7Confident44 Ų4454.9 Ų54.921%0.20630%0.302CS..Hα-helixtrans-99.18.1-176-48.9-59.9136.300113.3W447 M448 E453 Y454 F455W447-E451 HydrophobicContact CD2-CG 4.45Å; W447-E451 HydrophobicContact CG-CG 4.4Å; W447-E451 HydrophobicContact CZ2-CG 4.27Å; W447-E451 VanDerWaalsContact NE1-CG 3.32Å; W447-E451 WeakPolarHBondContact O-CG 3.48Å; W447-E451 PolarHBondContact O-N 3.18Å; M448-E451 PolarHBondContact O-N 3.01Å; E451-E453 PolarHBondContact O-N 2.84Å; E451-Y454 PolarHBondContact O-N 3.15Å; E451-Y454 VanDerWaalsContact O-N 3.12Å; E451-F455 HydrophobicContact CB-CD2 4.1Å; E451-F455 HydrophobicContact CB-CE2 4.28Å; E451-F455 PolarHBondContact O-N 3.23Å
452E74.7Confident73.8Confident20 Ų2060.5 Ų60.59%0.09334%0.341CS..Hα-helixtrans-58-46.1-176.871.8-173.7-179.500112.3M448 I449 Y454 F455 E456 F465 G466 H523M448-E452 PolarHBondContact O-N 3.31Å; M448-E452 VanDerWaalsContact O-N 3.17Å; I449-E452 WeakPolarHBondContact O-CG 3.46Å; E452-Y454 VanDerWaalsContact C-N 3.29Å; E452-Y454 PolarHBondContact O-N 2.88Å; E452-F455 PolarHBondContact O-N 2.79Å; E452-E456 WeakPolarHBondContact O-CB 3.27Å; E452-E456 PolarHBondContact O-N 3.39Å; E452-F465 HydrophobicContact CB-CE2 4.33Å; E452-G466 WeakPolarHBondContact OE2-CA 3.48Å; E452-H523 IonicContact OE1-CE1 3.45Å; E452-H523 IonicContact OE1-ND1 2.68Å
453E70.3Confident72.4Confident137 Ų13761.9 Ų61.964%0.6436%0.356SS*.Hα-helixtrans-63.4-31.4177.5-59.6-177.4168.600112.7E451 S457E451-E453 PolarHBondContact O-N 2.84Å; E453-S457 WeakPolarHBondContact O-CB 3.29Å; E453-S457 PolarHBondContact O-N 3.21Å; E453-S457 PolarHBondContact O-OG 2.95Å
454Y76.4Confident71.4Confident135 Ų13557.7 Ų57.753%0.52934%0.337SS..Hα-helixtrans-74.9-44.1177176.3-104.6000111.8A410 E451 E452 S457 A458A410-Y454 HydrophobicContact CB-CD1 4.49Å; A410-Y454 HydrophobicContact CB-CE1 3.88Å; E451-Y454 PolarHBondContact O-N 3.15Å; E451-Y454 VanDerWaalsContact O-N 3.12Å; E452-Y454 VanDerWaalsContact C-N 3.29Å; E452-Y454 PolarHBondContact O-N 2.88Å; Y454-S457 PolarHBondContact O-OG 2.91Å; Y454-A458 HydrophobicContact CE2-CB 4.44Å; Y454-A458 WeakPolarHBondContact O-CB 3.49Å; Y454-A458 PolarHBondContact O-N 3.23Å
455F72.3Confident70.7Confident10 Ų1057.3 Ų57.34%0.04434%0.335CS..Hα-helixtrans-68-36.5177.1-87.4-97.5000112.4A410 V415 W447 E451 E452 A459 F465A410-F455 HydrophobicContact CB-CD1 4.02Å; A410-F455 HydrophobicContact CB-CE1 4.05Å; A410-F455 HydrophobicContact CB-CG 4.46Å; A410-F455 HydrophobicContact CB-CZ 4.49Å; V415-F455 HydrophobicContact CG2-CD1 3.94Å; W447-F455 AromaticContact CH2-CE2 3.91Å; W447-F455 HydrophobicContact CH2-CE2 3.91Å; W447-F455 AromaticContact CH2-CZ 3.99Å; W447-F455 HydrophobicContact CH2-CZ 3.99Å; W447-F455 AromaticContact CZ2-CE2 3.91Å; W447-F455 HydrophobicContact CZ2-CE2 3.91Å; W447-F455 HydrophobicContact CZ2-CZ 4.28Å; E451-F455 HydrophobicContact CB-CD2 4.1Å; E451-F455 HydrophobicContact CB-CE2 4.28Å; E451-F455 PolarHBondContact O-N 3.23Å; E452-F455 PolarHBondContact O-N 2.79Å; F455-A459 WeakPolarHBondContact O-CB 3.35Å; F455-A459 PolarHBondContact O-N 3.15Å; F455-F465 HydrophobicContact CB-CE1 3.75Å; F455-F465 HydrophobicContact CB-CZ 3.68Å; F455-F465 AromaticContact CD1-CE1 3.81Å; F455-F465 HydrophobicContact CD1-CE1 3.81Å; F455-F465 HydrophobicContact CD1-CZ 4.23Å; F455-F465 HydrophobicContact CD2-CE1 4.23Å; F455-F465 AromaticContact CD2-CZ 3.8Å; F455-F465 HydrophobicContact CD2-CZ 3.8Å; F455-F465 HydrophobicContact CE1-CE1 4.45Å; F455-F465 HydrophobicContact CE2-CZ 4.49Å; F455-F465 AromaticContact CG-CE1 3.67Å; F455-F465 HydrophobicContact CG-CE1 3.67Å; F455-F465 AromaticContact CG-CZ 3.64Å; F455-F465 HydrophobicContact CG-CZ 3.64Å
456E69.1Low70.1Confident102 Ų10257.3 Ų57.348%0.47734%0.335SS..Hα-helixtrans-64.4-48.7176.1-170174.7150.400111.5E452 G460E452-E456 WeakPolarHBondContact O-CB 3.27Å; E452-E456 PolarHBondContact O-N 3.39Å; E456-G460 PolarHBondContact O-N 2.96Å
457S70Confident69.6Low95 Ų9558.9 Ų58.966%0.66434%0.336SS*.Hα-helixtrans-71.1-34.5-179.756.20000114.3E453 Y454E453-S457 WeakPolarHBondContact O-CB 3.29Å; E453-S457 PolarHBondContact O-N 3.21Å; E453-S457 PolarHBondContact O-OG 2.95Å; Y454-S457 PolarHBondContact O-OG 2.91Å
458A66.4Low69.2Low54 Ų5458.3 Ų58.345%0.44634%0.335SS..Hα-helixtrans-84.1-35.8-179.100000113.9A410 Y454A410-A458 HydrophobicContact CB-CB 3.84Å; Y454-A458 HydrophobicContact CE2-CB 4.44Å; Y454-A458 WeakPolarHBondContact O-CB 3.49Å; Y454-A458 PolarHBondContact O-N 3.23Å
459A62.3Low69Low15 Ų1558.3 Ų58.312%0.12434%0.335CS..Hα-helixtrans-87.3-18.4-177.800000113.7V415 F455 V461V415-A459 HydrophobicContact CG2-CB 3.94Å; F455-A459 WeakPolarHBondContact O-CB 3.35Å; F455-A459 PolarHBondContact O-N 3.15Å; A459-V461 VanDerWaalsContact C-N 3.26Å; A459-V461 HydrophobicContact CB-CG2 4.17Å; A459-V461 PolarHBondContact O-N 3.32Å
460G57.1Low68.9Low68 Ų6857.3 Ų57.370%0.70133%0.33SS*.  trans6721.5179.500000114.6E456E456-G460 PolarHBondContact O-N 2.96Å
461V58.1Low68.7Low47 Ų4751.5 Ų51.529%0.28531%0.306SS..  trans-99.8116.4-177.2-176.60000109.9P412 A459 A463P412-V461 HydrophobicContact CB-CG2 3.87Å; P412-V461 HydrophobicContact CG-CG2 3.83Å; A459-V461 VanDerWaalsContact C-N 3.26Å; A459-V461 HydrophobicContact CB-CG2 4.17Å; A459-V461 PolarHBondContact O-N 3.32Å; V461-A463 HydrophobicContact CG1-CB 4.41Å; V461-A463 PolarHBondContact O-N 3.19Å
462S45.3Very low68.8Low121 Ų12149.5 Ų49.585%0.84630%0.297SS*.SBendtrans-76.332.9-179.371.30000114.5
463A53.4Low69.1Low59 Ų5948.5 Ų48.549%0.48829%0.292SS..SBendtrans-156.793.8-179.300000107.8V461 E467V461-A463 HydrophobicContact CG1-CB 4.41Å; V461-A463 PolarHBondContact O-N 3.19Å; A463-E467 VanDerWaalsContact CA-OE2 3.31Å; A463-E467 WeakPolarHBondContact CA-OE2 3.44Å
464S63.1Low69.4Low14 Ų1442.6 Ų42.610%0.09826%0.264CS..  trans-96.3158.7-169.386.60000112.6G466 E467 M468S464-G466 PolarHBondContact O-N 3.46Å; S464-G466 PolarHBondContact OG-N 3Å; S464-E467 PolarHBondContact N-OE2 2.97Å; S464-E467 PolarHBondContact O-N 2.85Å; S464-E467 PolarHBondContact OG-N 2.93Å; S464-M468 PolarHBondContact O-N 3.3Å
465F73Confident69.6Low1 Ų136.5 Ų36.50%0.00424%0.241CC..Hα-helixtrans-67.7-19.5169.453.7-109.1000112.2V415 V418 M448 E452 F455 M468 L469V415-F465 HydrophobicContact CG1-CD1 4.14Å; V415-F465 HydrophobicContact CG2-CE1 4.47Å; V418-F465 HydrophobicContact CB-CD1 3.96Å; V418-F465 HydrophobicContact CB-CE1 4.37Å; V418-F465 HydrophobicContact CB-CG 4.49Å; V418-F465 HydrophobicContact CG1-CB 4.06Å; V418-F465 HydrophobicContact CG1-CD1 3.59Å; V418-F465 HydrophobicContact CG1-CD2 4.21Å; V418-F465 HydrophobicContact CG1-CE1 4.06Å; V418-F465 HydrophobicContact CG1-CG 3.68Å; M448-F465 HydrophobicContact CB-CD2 4.27Å; M448-F465 HydrophobicContact CB-CE2 4.13Å; M448-F465 HydrophobicContact CE-CB 3.83Å; M448-F465 HydrophobicContact CE-CD2 3.57Å; M448-F465 HydrophobicContact CE-CE2 4.4Å; M448-F465 HydrophobicContact CE-CG 3.84Å; E452-F465 HydrophobicContact CB-CE2 4.33Å; F455-F465 HydrophobicContact CB-CE1 3.75Å; F455-F465 HydrophobicContact CB-CZ 3.68Å; F455-F465 AromaticContact CD1-CE1 3.81Å; F455-F465 HydrophobicContact CD1-CE1 3.81Å; F455-F465 HydrophobicContact CD1-CZ 4.23Å; F455-F465 HydrophobicContact CD2-CE1 4.23Å; F455-F465 AromaticContact CD2-CZ 3.8Å; F455-F465 HydrophobicContact CD2-CZ 3.8Å; F455-F465 HydrophobicContact CE1-CE1 4.45Å; F455-F465 HydrophobicContact CE2-CZ 4.49Å; F455-F465 AromaticContact CG-CE1 3.67Å; F455-F465 HydrophobicContact CG-CE1 3.67Å; F455-F465 AromaticContact CG-CZ 3.64Å; F455-F465 HydrophobicContact CG-CZ 3.64Å; F465-M468 PolarHBondContact O-N 3.17Å; F465-L469 WeakPolarHBondContact O-CB 3.33Å; F465-L469 WeakPolarHBondContact O-CG 3.26Å; F465-L469 PolarHBondContact O-N 3.37Å
466G72.3Confident70.2Confident0 Ų036 Ų360%024%0.239CC..Hα-helixtrans-66.7-46.8174.700000111.9E452 S464 M468 L469 L470E452-G466 WeakPolarHBondContact OE2-CA 3.48Å; S464-G466 PolarHBondContact O-N 3.46Å; S464-G466 PolarHBondContact OG-N 3Å; G466-M468 VanDerWaalsContact C-N 3.27Å; G466-M468 PolarHBondContact O-N 3.24Å; G466-L469 WeakPolarHBondContact O-CB 3.31Å; G466-L469 PolarHBondContact O-N 3.21Å; G466-L470 WeakPolarHBondContact O-CB 3.38Å; G466-L470 WeakPolarHBondContact O-CG 3.38Å; G466-L470 PolarHBondContact O-N 3.26Å
467E72.8Confident70.8Confident90 Ų9034.2 Ų34.242%0.42123%0.23SC..Hα-helixtrans-56.7-42.4172.1-65.3179.8110.500111.7A463 S464 L470 L471A463-E467 VanDerWaalsContact CA-OE2 3.31Å; A463-E467 WeakPolarHBondContact CA-OE2 3.44Å; S464-E467 PolarHBondContact N-OE2 2.97Å; S464-E467 PolarHBondContact O-N 2.85Å; S464-E467 PolarHBondContact OG-N 2.93Å; E467-L470 PolarHBondContact O-N 3.29Å; E467-L471 WeakPolarHBondContact O-CB 3.1Å; E467-L471 PolarHBondContact O-N 2.86Å
468M77Confident71Confident19 Ų1930.3 Ų30.39%0.09420%0.203CC..Hα-helixtrans-68-39.2177.7-174.117351.200112.8F422 S464 F465 G466 V472 L487 T491F422-M468 HydrophobicContact CD1-CE 3.92Å; F422-M468 HydrophobicContact CD1-CG 4.4Å; F422-M468 HydrophobicContact CD1-SD 4.45Å; F422-M468 HydrophobicContact CE1-CG 4.33Å; S464-M468 PolarHBondContact O-N 3.3Å; F465-M468 PolarHBondContact O-N 3.17Å; G466-M468 VanDerWaalsContact C-N 3.27Å; G466-M468 PolarHBondContact O-N 3.24Å; M468-V472 WeakPolarHBondContact O-CG2 3.41Å; M468-V472 PolarHBondContact O-N 3.44Å; M468-L487 HydrophobicContact CG-CD2 4.14Å; M468-T491 HydrophobicContact SD-CG2 4.14Å
469L78.7Confident71.7Confident0 Ų032.2 Ų32.20%021%0.206CC..Hα-helixtrans-60.9-49.4172.7-82.1177.6000111.3F422 L445 M448 I449 F465 G466 L471 V472 A473 F510 F515F422-L469 HydrophobicContact CD1-CD2 4.25Å; F422-L469 HydrophobicContact CD2-CD2 4.03Å; F422-L469 HydrophobicContact CE1-CD2 3.96Å; F422-L469 HydrophobicContact CE2-CD2 3.77Å; F422-L469 HydrophobicContact CG-CD2 4.27Å; F422-L469 HydrophobicContact CZ-CD2 3.7Å; L445-L469 HydrophobicContact CD2-CD2 3.94Å; M448-L469 HydrophobicContact CB-CD1 3.72Å; M448-L469 HydrophobicContact CE-CD1 3.72Å; M448-L469 HydrophobicContact CE-CD2 4.21Å; M448-L469 HydrophobicContact CE-CG 3.91Å; M448-L469 HydrophobicContact SD-CD1 4.26Å; I449-L469 HydrophobicContact CG1-CD1 3.89Å; F465-L469 WeakPolarHBondContact O-CB 3.33Å; F465-L469 WeakPolarHBondContact O-CG 3.26Å; F465-L469 PolarHBondContact O-N 3.37Å; G466-L469 WeakPolarHBondContact O-CB 3.31Å; G466-L469 PolarHBondContact O-N 3.21Å; L469-L471 VanDerWaalsContact C-N 3.35Å; L469-L471 PolarHBondContact O-N 3.16Å; L469-V472 PolarHBondContact O-N 3.4Å; L469-A473 PolarHBondContact O-N 2.92Å; L469-F510 HydrophobicContact CD2-CE1 4.05Å; L469-F510 HydrophobicContact CD2-CZ 3.81Å; L469-F515 HydrophobicContact CB-CE2 3.99Å; L469-F515 HydrophobicContact CB-CZ 4.02Å
470L75.3Confident72.5Confident16 Ų1635.4 Ų35.48%0.08422%0.218CC..Hα-helixtrans-61.6-42.8178.5-71.4169.8000111.3G466 E467 A473 M474 F515 H523G466-L470 WeakPolarHBondContact O-CB 3.38Å; G466-L470 WeakPolarHBondContact O-CG 3.38Å; G466-L470 PolarHBondContact O-N 3.26Å; E467-L470 PolarHBondContact O-N 3.29Å; L470-A473 PolarHBondContact O-N 3.43Å; L470-M474 HydrophobicContact CB-CE 4.42Å; L470-M474 WeakPolarHBondContact O-CB 3.27Å; L470-M474 WeakPolarHBondContact O-CE 3.46Å; L470-M474 VanDerWaalsContact O-CG 3.3Å; L470-M474 WeakPolarHBondContact O-CG 3.42Å; L470-M474 PolarHBondContact O-N 3.46Å; L470-F515 HydrophobicContact CD2-CD1 4.23Å; L470-F515 HydrophobicContact CD2-CE1 3.55Å; L470-F515 HydrophobicContact CD2-CZ 4.06Å; L470-F515 HydrophobicContact CG-CE1 4.44Å; L470-H523 HydrophobicContact CD1-CB 4.2Å; L470-H523 HydrophobicContact CD2-CB 3.59Å
471L76.3Confident73.8Confident35 Ų3533.8 Ų33.818%0.18319%0.193CC..Hα-helixtrans-63.3-41.7177.1-172.560.5000111.5E467 L469 M474 Y475 L487E467-L471 WeakPolarHBondContact O-CB 3.1Å; E467-L471 PolarHBondContact O-N 2.86Å; L469-L471 VanDerWaalsContact C-N 3.35Å; L469-L471 PolarHBondContact O-N 3.16Å; L471-M474 HydrophobicContact CD1-CE 4.43Å; L471-M474 PolarHBondContact O-N 2.8Å; L471-Y475 HydrophobicContact CD1-CE2 4.16Å; L471-Y475 HydrophobicContact CD2-CE2 4.15Å; L471-Y475 HydrophobicContact CG-CD2 4.29Å; L471-Y475 HydrophobicContact CG-CE2 3.6Å; L471-Y475 WeakPolarHBondContact O-CD2 3.33Å; L471-Y475 PolarHBondContact O-N 3.19Å; L471-L487 HydrophobicContact CD2-CD2 4.16Å; L471-L487 HydrophobicContact CG-CD2 4.49Å
472V81.1Confident75Confident1 Ų134.7 Ų34.71%0.00620%0.201CC..Hα-helixtrans-66.5-39.5173.3171.30000112.7F422 L426 M468 L469 M474 Y475 F476 L487 F510F422-V472 HydrophobicContact CE1-CB 4.2Å; F422-V472 HydrophobicContact CE1-CG2 3.9Å; F422-V472 HydrophobicContact CZ-CB 4Å; F422-V472 HydrophobicContact CZ-CG1 3.9Å; F422-V472 HydrophobicContact CZ-CG2 4.12Å; L426-V472 HydrophobicContact CD1-CG1 4.46Å; L426-V472 HydrophobicContact CD2-CG1 3.9Å; L426-V472 HydrophobicContact CD2-CG2 3.97Å; M468-V472 WeakPolarHBondContact O-CG2 3.41Å; M468-V472 PolarHBondContact O-N 3.44Å; L469-V472 PolarHBondContact O-N 3.4Å; V472-M474 VanDerWaalsContact C-N 3.34Å; V472-M474 PolarHBondContact O-N 3.11Å; V472-Y475 HydrophobicContact CG2-CD2 4.48Å; V472-Y475 PolarHBondContact O-N 2.87Å; V472-F476 HydrophobicContact CG1-CD2 3.67Å; V472-F476 HydrophobicContact CG1-CE2 3.43Å; V472-F476 VanDerWaalsContact CG1-CE2 3.43Å; V472-F476 HydrophobicContact CG1-CZ 4.3Å; V472-F476 WeakPolarHBondContact O-CD2 2.96Å; V472-F476 PolarHBondContact O-N 3.21Å; V472-L487 HydrophobicContact CG2-CD2 3.75Å; V472-F510 HydrophobicContact CG1-CD1 4.47Å; V472-F510 HydrophobicContact CG1-CE1 4.35Å
473A81.8Confident76.7Confident0 Ų029.6 Ų29.60%017%0.166CC..Hα-helixtrans-60.2-44.4172.500000111.5L469 L470 Y475 F476 H477 F510 F515 V520L469-A473 PolarHBondContact O-N 2.92Å; L470-A473 PolarHBondContact O-N 3.43Å; A473-Y475 PolarHBondContact O-N 3.08Å; A473-F476 PolarHBondContact O-N 3.29Å; A473-H477 PolarHBondContact O-CD2 3.18Å; A473-H477 VanDerWaalsContact O-CD2 3.24Å; A473-H477 PolarHBondContact O-N 3.06Å; A473-F510 HydrophobicContact CB-CD1 4.15Å; A473-F515 HydrophobicContact CB-CB 3.7Å; A473-F515 HydrophobicContact CB-CD1 4.43Å; A473-F515 HydrophobicContact CB-CD2 3.69Å; A473-F515 HydrophobicContact CB-CE2 4.32Å; A473-F515 HydrophobicContact CB-CG 3.73Å; A473-V520 HydrophobicContact CB-CG2 4.07Å
474M75.6Confident78.2Confident12 Ų1226.9 Ų26.96%0.05914%0.143CC..Hα-helixtrans-65.3-35.3176.1-70-176-64.900112.4L470 L471 V472 S478 V520 A524 C545 L549L470-M474 HydrophobicContact CB-CE 4.42Å; L470-M474 WeakPolarHBondContact O-CB 3.27Å; L470-M474 WeakPolarHBondContact O-CE 3.46Å; L470-M474 VanDerWaalsContact O-CG 3.3Å; L470-M474 WeakPolarHBondContact O-CG 3.42Å; L470-M474 PolarHBondContact O-N 3.46Å; L471-M474 HydrophobicContact CD1-CE 4.43Å; L471-M474 PolarHBondContact O-N 2.8Å; V472-M474 VanDerWaalsContact C-N 3.34Å; V472-M474 PolarHBondContact O-N 3.11Å; M474-S478 VanDerWaalsContact O-CB 3.26Å; M474-S478 WeakPolarHBondContact O-CB 3.31Å; M474-S478 PolarHBondContact O-N 3.24Å; M474-S478 PolarHBondContact O-OG 3.29Å; M474-V520 HydrophobicContact CG-CG1 3.48Å; M474-V520 VanDerWaalsContact CG-CG1 3.48Å; M474-V520 HydrophobicContact SD-CG1 4.35Å; M474-A524 HydrophobicContact SD-CB 4.41Å; M474-C545 HydrophobicContact CB-CB 4.18Å; M474-C545 HydrophobicContact CE-CB 4.09Å; M474-C545 HydrophobicContact CG-CB 4.31Å; M474-C545 HydrophobicContact SD-CB 3.46Å; M474-C545 WeakPolarHBondContact SD-CB 3.42Å; M474-L549 HydrophobicContact SD-CD1 4.38Å
475Y80.7Confident79.2Confident8 Ų827.9 Ų27.93%0.03115%0.147CC..Hα-helixtrans-64.4-41.9170-70-48.2000113L471 V472 A473 S478 N479 Q480 I484 L487 F540L471-Y475 HydrophobicContact CD1-CE2 4.16Å; L471-Y475 HydrophobicContact CD2-CE2 4.15Å; L471-Y475 HydrophobicContact CG-CD2 4.29Å; L471-Y475 HydrophobicContact CG-CE2 3.6Å; L471-Y475 WeakPolarHBondContact O-CD2 3.33Å; L471-Y475 PolarHBondContact O-N 3.19Å; V472-Y475 HydrophobicContact CG2-CD2 4.48Å; V472-Y475 PolarHBondContact O-N 2.87Å; A473-Y475 PolarHBondContact O-N 3.08Å; Y475-S478 VanDerWaalsContact CA-OG 3.31Å; Y475-S478 WeakPolarHBondContact CA-OG 3.36Å; Y475-S478 CarbonylContact O-C 3.44Å; Y475-S478 PolarHBondContact O-N 2.66Å; Y475-S478 PolarHBondContact O-OG 3.11Å; Y475-S478 VanDerWaalsContact O-OG 3.13Å; Y475-N479 WeakPolarHBondContact O-CA 3.39Å; Y475-N479 PolarHBondContact O-N 2.96Å; Y475-Q480 HydrophobicContact CD1-CB 4.05Å; Y475-Q480 PolarHBondContact O-N 3.38Å; Y475-I484 HydrophobicContact CD2-CG1 3.73Å; Y475-I484 HydrophobicContact CG-CG1 3.76Å; Y475-L487 HydrophobicContact CD2-CD2 4.49Å; Y475-L487 HydrophobicContact CE2-CD2 3.86Å; Y475-F540 HydrophobicContact CD1-CD1 4.11Å; Y475-F540 AromaticContact CD1-CE1 3.89Å; Y475-F540 HydrophobicContact CD1-CE1 3.89Å; Y475-F540 HydrophobicContact CD1-CZ 4.17Å; Y475-F540 HydrophobicContact CE1-CB 3.88Å; Y475-F540 AromaticContact CE1-CD1 3.2Å; Y475-F540 HydrophobicContact CE1-CD1 3.2Å; Y475-F540 HydrophobicContact CE1-CD2 4.08Å; Y475-F540 AromaticContact CE1-CE1 3.45Å; Y475-F540 HydrophobicContact CE1-CE1 3.45Å; Y475-F540 VanDerWaalsContact CE1-CE1 3.45Å; Y475-F540 HydrophobicContact CE1-CE2 4.31Å; Y475-F540 AromaticContact CE1-CG 3.52Å; Y475-F540 HydrophobicContact CE1-CG 3.52Å; Y475-F540 HydrophobicContact CE1-CZ 4.01Å; Y475-F540 AromaticContact CZ-CD1 3.83Å; Y475-F540 WeakPolarHBondContact OH-CB 3.38Å; Y475-F540 PolarHBondContact OH-O 3.12Å
476F84.9Confident79.6Confident0 Ų033.8 Ų33.80%018%0.175CC..Hα-helixtrans-65.7-44179.3-80.6-48.6000112.2L426 V472 A473 N479 L481 I484 L503 M506 K507 F510 T511L426-F476 HydrophobicContact CD1-CE2 4.08Å; L426-F476 HydrophobicContact CD1-CZ 3.68Å; V472-F476 HydrophobicContact CG1-CD2 3.67Å; V472-F476 HydrophobicContact CG1-CE2 3.43Å; V472-F476 VanDerWaalsContact CG1-CE2 3.43Å; V472-F476 HydrophobicContact CG1-CZ 4.3Å; V472-F476 WeakPolarHBondContact O-CD2 2.96Å; V472-F476 PolarHBondContact O-N 3.21Å; A473-F476 PolarHBondContact O-N 3.29Å; F476-N479 PolarHBondContact O-N 3.44Å; F476-L481 HydrophobicContact CD1-CD2 3.97Å; F476-L481 HydrophobicContact CE1-CD2 4.04Å; F476-I484 HydrophobicContact CD1-CD1 3.53Å; F476-I484 HydrophobicContact CD2-CD1 4.41Å; F476-I484 HydrophobicContact CE1-CD1 3.51Å; F476-I484 HydrophobicContact CE2-CD1 4.4Å; F476-I484 HydrophobicContact CG-CD1 4.02Å; F476-I484 HydrophobicContact CZ-CD1 3.98Å; F476-L503 HydrophobicContact CE1-CB 4.35Å; F476-M506 HydrophobicContact CE2-CG 4.04Å; F476-M506 HydrophobicContact CZ-CB 4.07Å; F476-M506 HydrophobicContact CZ-CG 3.85Å; F476-K507 HydrophobicContact CB-CG 4.12Å; F476-K507 HydrophobicContact CD1-CB 3.5Å; F476-K507 VanDerWaalsContact CD1-CB 3.5Å; F476-K507 HydrophobicContact CD1-CD 4.29Å; F476-K507 HydrophobicContact CD1-CG 3.64Å; F476-K507 HydrophobicContact CE1-CB 3.67Å; F476-K507 HydrophobicContact CE1-CG 4.32Å; F476-K507 HydrophobicContact CG-CB 4.19Å; F476-K507 HydrophobicContact CG-CG 4.11Å; F476-K507 HydrophobicContact CZ-CB 4.46Å; F476-K507 VanDerWaalsContact O-CE 3.23Å; F476-K507 WeakPolarHBondContact O-CE 3.49Å; F476-F510 HydrophobicContact CD2-CB 3.54Å; F476-F510 HydrophobicContact CD2-CD1 4.05Å; F476-F510 HydrophobicContact CD2-CD2 4.45Å; F476-F510 AromaticContact CD2-CG 3.75Å; F476-F510 HydrophobicContact CD2-CG 3.75Å; F476-F510 HydrophobicContact CE2-CB 3.94Å; F476-F510 HydrophobicContact CE2-CD1 4.28Å; F476-F510 HydrophobicContact CE2-CD2 4.05Å; F476-F510 AromaticContact CE2-CG 3.8Å; F476-F510 HydrophobicContact CE2-CG 3.8Å; F476-F510 HydrophobicContact CG-CB 4.39Å; F476-T511 HydrophobicContact CB-CG2 3.79Å
477H80.7Confident80.2Confident63 Ų6335.5 Ų35.529%0.29218%0.184SC..Hα-helixtrans-65.9-37.1174-77.2-68.4000113.1A473 N479 F515A473-H477 PolarHBondContact O-CD2 3.18Å; A473-H477 VanDerWaalsContact O-CD2 3.24Å; A473-H477 PolarHBondContact O-N 3.06Å; H477-N479 VanDerWaalsContact C-N 3.26Å; H477-N479 PolarHBondContact O-N 3.33Å; H477-F515 PolarHBondContact NE2-O 3.25Å
478S75.2Confident80.8Confident14 Ų1431.3 Ų31.310%0.09816%0.164CC..Hα-helixtrans-78.6-5.3174.860.80000114.4M474 Y475 Q480M474-S478 VanDerWaalsContact O-CB 3.26Å; M474-S478 WeakPolarHBondContact O-CB 3.31Å; M474-S478 PolarHBondContact O-N 3.24Å; M474-S478 PolarHBondContact O-OG 3.29Å; Y475-S478 VanDerWaalsContact CA-OG 3.31Å; Y475-S478 WeakPolarHBondContact CA-OG 3.36Å; Y475-S478 CarbonylContact O-C 3.44Å; Y475-S478 PolarHBondContact O-N 2.66Å; Y475-S478 PolarHBondContact O-OG 3.11Å; Y475-S478 VanDerWaalsContact O-OG 3.13Å; S478-Q480 PolarHBondContact O-N 3.39Å
479N80.5Confident81.2Confident94 Ų9431.3 Ų31.350%0.50317%0.166SC..THydrogen-bonded Turntrans61.120.9-175.7-159.461.6000115.1Y475 F476 H477 L481 K507Y475-N479 WeakPolarHBondContact O-CA 3.39Å; Y475-N479 PolarHBondContact O-N 2.96Å; F476-N479 PolarHBondContact O-N 3.44Å; H477-N479 VanDerWaalsContact C-N 3.26Å; H477-N479 PolarHBondContact O-N 3.33Å; N479-L481 VanDerWaalsContact C-N 3.33Å; N479-L481 PolarHBondContact O-N 3.42Å; N479-K507 PolarHBondContact OD1-NZ 2.95Å
480Q80.4Confident81.4Confident82 Ų8235.8 Ų35.838%0.38320%0.197SC..  trans-86.366.4-176.8-65.2-65.1-5.100112Y475 S478 S482 S483 F540Y475-Q480 HydrophobicContact CD1-CB 4.05Å; Y475-Q480 PolarHBondContact O-N 3.38Å; S478-Q480 PolarHBondContact O-N 3.39Å; Q480-S482 VanDerWaalsContact C-N 3.27Å; Q480-S482 PolarHBondContact O-N 3.1Å; Q480-S483 PolarHBondContact O-N 2.85Å; Q480-F540 HydrophobicContact CG-CE2 4.09Å; Q480-F540 HydrophobicContact CG-CZ 4.46Å
481L83.3Confident81.7Confident33 Ų3337.1 Ų37.117%0.17321%0.206CC..Hα-helixtrans-64.7-25.4-174.1-59.6-178.8000114F476 N479 I484 I485 P500 L503F476-L481 HydrophobicContact CD1-CD2 3.97Å; F476-L481 HydrophobicContact CE1-CD2 4.04Å; N479-L481 VanDerWaalsContact C-N 3.33Å; N479-L481 PolarHBondContact O-N 3.42Å; L481-I484 HydrophobicContact CD2-CD1 3.86Å; L481-I484 PolarHBondContact O-N 3.48Å; L481-I485 WeakPolarHBondContact O-CG1 3.5Å; L481-I485 PolarHBondContact O-N 3.49Å; L481-P500 HydrophobicContact CD1-CB 4.01Å; L481-L503 HydrophobicContact CB-CD1 4.46Å; L481-L503 HydrophobicContact CD2-CD1 4.4Å
482S83.3Confident82Confident67 Ų6735.5 Ų35.547%0.46920%0.197SC..Hα-helixtrans-62.6-47.317642.50000112.1Q480 I484 I485 E486Q480-S482 VanDerWaalsContact C-N 3.27Å; Q480-S482 PolarHBondContact O-N 3.1Å; S482-I484 VanDerWaalsContact C-N 3.26Å; S482-I484 PolarHBondContact O-N 3.19Å; S482-I485 WeakPolarHBondContact O-CA 3.35Å; S482-I485 WeakPolarHBondContact O-CB 3.26Å; S482-I485 PolarHBondContact O-N 2.96Å; S482-E486 PolarHBondContact O-N 3.06Å
483S81.1Confident81.9Confident14 Ų1437.4 Ų37.410%0.09822%0.217CC..Hα-helixtrans-66.5-27.6179.9-54.20000112.7Q480 L487Q480-S483 PolarHBondContact O-N 2.85Å; S483-L487 VanDerWaalsContact O-CB 3.26Å; S483-L487 WeakPolarHBondContact O-CB 3.4Å; S483-L487 PolarHBondContact O-N 2.91Å
484I84.8Confident82Confident1 Ų138.1 Ų38.11%0.00522%0.22CC..Hα-helixtrans-63.2-47.1168.2-53.7-179.1000110.4L426 Y475 F476 L481 S482 E486 L487 V488L426-I484 HydrophobicContact CD1-CG2 4.18Å; L426-I484 HydrophobicContact CD2-CG2 3.73Å; L426-I484 HydrophobicContact CG-CG2 4.05Å; Y475-I484 HydrophobicContact CD2-CG1 3.73Å; Y475-I484 HydrophobicContact CG-CG1 3.76Å; F476-I484 HydrophobicContact CD1-CD1 3.53Å; F476-I484 HydrophobicContact CD2-CD1 4.41Å; F476-I484 HydrophobicContact CE1-CD1 3.51Å; F476-I484 HydrophobicContact CE2-CD1 4.4Å; F476-I484 HydrophobicContact CG-CD1 4.02Å; F476-I484 HydrophobicContact CZ-CD1 3.98Å; L481-I484 HydrophobicContact CD2-CD1 3.86Å; L481-I484 PolarHBondContact O-N 3.48Å; S482-I484 VanDerWaalsContact C-N 3.26Å; S482-I484 PolarHBondContact O-N 3.19Å; I484-E486 VanDerWaalsContact C-N 3.34Å; I484-E486 PolarHBondContact O-N 3.37Å; I484-L487 PolarHBondContact O-N 3.12Å; I484-V488 HydrophobicContact CG2-CG2 4.31Å; I484-V488 WeakPolarHBondContact O-CB 3.39Å; I484-V488 VanDerWaalsContact O-CG2 3.23Å; I484-V488 WeakPolarHBondContact O-CG2 3.4Å; I484-V488 PolarHBondContact O-N 2.83Å
485I83.6Confident82.3Confident35 Ų3546.9 Ų46.918%0.17926%0.258CS..Hα-helixtrans-64.4-40.5-179.1-64.2169.5000110.5L481 S482 C489 I498 L503L481-I485 WeakPolarHBondContact O-CG1 3.5Å; L481-I485 PolarHBondContact O-N 3.49Å; S482-I485 WeakPolarHBondContact O-CA 3.35Å; S482-I485 WeakPolarHBondContact O-CB 3.26Å; S482-I485 PolarHBondContact O-N 2.96Å; I485-C489 WeakPolarHBondContact O-CB 3.38Å; I485-C489 PolarHBondContact O-N 3.34Å; I485-C489 PolarHBondContact O-SG 3.02Å; I485-I498 HydrophobicContact CD1-CB 4.29Å; I485-I498 HydrophobicContact CG1-CB 4.06Å; I485-I498 HydrophobicContact CG1-CD1 4.42Å; I485-I498 HydrophobicContact CG1-CG2 4.33Å; I485-I498 HydrophobicContact CG2-CB 4.43Å; I485-I498 HydrophobicContact CG2-CD1 4.36Å; I485-L503 HydrophobicContact CD1-CD1 4.41Å; I485-L503 HydrophobicContact CG1-CD1 4.14Å
486E83.1Confident82.4Confident126 Ų12647.1 Ų47.159%0.58926%0.26SS*.Hα-helixtrans-64.7-48.3175.6-71.1175.4172.100112.3S482 I484 V488 C489 S490S482-E486 PolarHBondContact O-N 3.06Å; I484-E486 VanDerWaalsContact C-N 3.34Å; I484-E486 PolarHBondContact O-N 3.37Å; E486-V488 PolarHBondContact O-N 3.18Å; E486-C489 PolarHBondContact O-N 2.92Å; E486-S490 WeakPolarHBondContact O-CB 3.44Å; E486-S490 PolarHBondContact O-N 3.42Å
487L83.3Confident82.1Confident36 Ų3651.8 Ų51.819%0.18830%0.299CS..Hα-helixtrans-56.9-48.4175.1173.759.9000111.4M468 L471 V472 Y475 S483 I484 C489 S490 T491M468-L487 HydrophobicContact CG-CD2 4.14Å; L471-L487 HydrophobicContact CD2-CD2 4.16Å; L471-L487 HydrophobicContact CG-CD2 4.49Å; V472-L487 HydrophobicContact CG2-CD2 3.75Å; Y475-L487 HydrophobicContact CD2-CD2 4.49Å; Y475-L487 HydrophobicContact CE2-CD2 3.86Å; S483-L487 VanDerWaalsContact O-CB 3.26Å; S483-L487 WeakPolarHBondContact O-CB 3.4Å; S483-L487 PolarHBondContact O-N 2.91Å; I484-L487 PolarHBondContact O-N 3.12Å; L487-C489 PolarHBondContact O-N 3.27Å; L487-S490 WeakPolarHBondContact O-CB 3.18Å; L487-S490 PolarHBondContact O-N 3.3Å; L487-T491 PolarHBondContact O-N 3.17Å; L487-T491 PolarHBondContact O-OG1 3.03Å
488V85.4Confident82.1Confident1 Ų149.7 Ų49.71%0.00629%0.289CS..Hα-helixtrans-62.1-43.1177.9167.30000111.9C423 L426 A427 I484 E486 S490 L492 I498C423-V488 HydrophobicContact CB-CG1 4.25Å; C423-V488 HydrophobicContact CB-CG2 4.36Å; L426-V488 HydrophobicContact CB-CG2 4.38Å; L426-V488 HydrophobicContact CD2-CG2 3.56Å; L426-V488 HydrophobicContact CG-CG2 3.92Å; A427-V488 HydrophobicContact CB-CG1 3.92Å; I484-V488 HydrophobicContact CG2-CG2 4.31Å; I484-V488 WeakPolarHBondContact O-CB 3.39Å; I484-V488 VanDerWaalsContact O-CG2 3.23Å; I484-V488 WeakPolarHBondContact O-CG2 3.4Å; I484-V488 PolarHBondContact O-N 2.83Å; E486-V488 PolarHBondContact O-N 3.18Å; V488-S490 VanDerWaalsContact C-N 3.3Å; V488-S490 PolarHBondContact O-N 2.9Å; V488-L492 HydrophobicContact CG1-CD1 3.73Å; V488-L492 HydrophobicContact CG1-CG 4.4Å; V488-L492 WeakPolarHBondContact O-CB 3.44Å; V488-L492 VanDerWaalsContact O-CG 3.23Å; V488-L492 WeakPolarHBondContact O-CG 3.35Å; V488-L492 PolarHBondContact O-N 3.22Å; V488-I498 HydrophobicContact CB-CD1 4.24Å; V488-I498 HydrophobicContact CG1-CD1 3.64Å
489C85.3Confident82.3Confident20 Ų2055.9 Ų55.914%0.13531%0.314CS..Hα-helixtrans-65.8-33.2176.1-69.60000112.5I485 E486 L487 G493 M494 I496I485-C489 WeakPolarHBondContact O-CB 3.38Å; I485-C489 PolarHBondContact O-N 3.34Å; I485-C489 PolarHBondContact O-SG 3.02Å; E486-C489 PolarHBondContact O-N 2.92Å; L487-C489 PolarHBondContact O-N 3.27Å; C489-G493 PolarHBondContact O-N 2.88Å; C489-G493 VanDerWaalsContact O-N 3.15Å; C489-M494 VanDerWaalsContact CA-O 3.24Å; C489-M494 WeakPolarHBondContact CA-O 3.43Å; C489-M494 WeakPolarHBondContact CB-O 3.33Å; C489-M494 PolarHBondContact O-N 3.4Å; C489-I496 PolarHBondContact SG-N 2.92Å; C489-I496 VanDerWaalsContact SG-N 3.4Å
490S84.4Confident82.2Confident93 Ų9355 Ų5565%0.6531%0.314SS*.Hα-helixtrans-67.4-55.1175.2-166.80000111.3E486 L487 V488 L492 G493E486-S490 WeakPolarHBondContact O-CB 3.44Å; E486-S490 PolarHBondContact O-N 3.42Å; L487-S490 WeakPolarHBondContact O-CB 3.18Å; L487-S490 PolarHBondContact O-N 3.3Å; V488-S490 VanDerWaalsContact C-N 3.3Å; V488-S490 PolarHBondContact O-N 2.9Å; S490-L492 PolarHBondContact O-N 3.44Å; S490-G493 WeakPolarHBondContact O-CA 3.14Å; S490-G493 PolarHBondContact O-N 2.84Å
491T81.1Confident81.9Confident44 Ų4455.1 Ų55.127%0.2732%0.324SS..Hα-helixtrans-63.3-38.6-178.4-56.30000112.8L420 C423 M468 L487 G493L420-T491 WeakPolarHBondContact CD2-O 3.35Å; C423-T491 HydrophobicContact CB-CG2 4.5Å; M468-T491 HydrophobicContact SD-CG2 4.14Å; L487-T491 PolarHBondContact O-N 3.17Å; L487-T491 PolarHBondContact O-OG1 3.03Å; T491-G493 PolarHBondContact O-N 2.69Å
492L82.1Confident81.5Confident1 Ų155.8 Ų55.81%0.00533%0.331CS..THydrogen-bonded Turntrans-73.8-15.4173.4-63.7175.8000113R379 L420 C423 A427 V488 S490 M494 I496R379-L492 PolarHBondContact NE-O 2.65Å; L420-L492 HydrophobicContact CD2-CD2 3.91Å; C423-L492 HydrophobicContact CB-CD1 4.42Å; C423-L492 HydrophobicContact CB-CD2 3.87Å; C423-L492 HydrophobicContact CB-CG 3.91Å; A427-L492 HydrophobicContact CB-CD1 4.47Å; V488-L492 HydrophobicContact CG1-CD1 3.73Å; V488-L492 HydrophobicContact CG1-CG 4.4Å; V488-L492 WeakPolarHBondContact O-CB 3.44Å; V488-L492 VanDerWaalsContact O-CG 3.23Å; V488-L492 WeakPolarHBondContact O-CG 3.35Å; V488-L492 PolarHBondContact O-N 3.22Å; S490-L492 PolarHBondContact O-N 3.44Å; L492-M494 VanDerWaalsContact C-N 3.34Å; L492-M494 HydrophobicContact CB-CG 3.93Å; L492-M494 PolarHBondContact O-N 3.19Å; L492-I496 HydrophobicContact CD1-CD1 3.91Å
493G79.8Confident81.4Confident41 Ų4152.7 Ų52.742%0.42331%0.31SS..THydrogen-bonded Turntrans58.741.9-174.700000112.6R379 C489 S490 T491R379-G493 PolarHBondContact NH2-O 2.85Å; C489-G493 PolarHBondContact O-N 2.88Å; C489-G493 VanDerWaalsContact O-N 3.15Å; S490-G493 WeakPolarHBondContact O-CA 3.14Å; S490-G493 PolarHBondContact O-N 2.84Å; T491-G493 PolarHBondContact O-N 2.69Å
494M83.8Confident81.4Confident15 Ų1555.4 Ų55.47%0.07433%0.328CS..SBendtrans-162144.717863.2-17882.800111.2L298 R379 C382 A383 C489 L492 I496L298-M494 HydrophobicContact CD1-CE 4.26Å; L298-M494 HydrophobicContact CD2-CB 3.96Å; L298-M494 HydrophobicContact CD2-CE 3.73Å; L298-M494 HydrophobicContact CD2-SD 4.03Å; R379-M494 HydrophobicContact CG-CE 3.4Å; R379-M494 WeakPolarHBondContact O-CE 3.37Å; C382-M494 HydrophobicContact CB-CE 3.88Å; C382-M494 HydrophobicContact CB-SD 3.77Å; A383-M494 HydrophobicContact CB-CE 4.47Å; A383-M494 HydrophobicContact CB-SD 4.25Å; C489-M494 VanDerWaalsContact CA-O 3.24Å; C489-M494 WeakPolarHBondContact CA-O 3.43Å; C489-M494 WeakPolarHBondContact CB-O 3.33Å; C489-M494 PolarHBondContact O-N 3.4Å; L492-M494 VanDerWaalsContact C-N 3.34Å; L492-M494 HydrophobicContact CB-CG 3.93Å; L492-M494 PolarHBondContact O-N 3.19Å; M494-I496 HydrophobicContact CG-CD1 3.94Å; M494-I496 HydrophobicContact CG-CG1 3.99Å; M494-I496 HydrophobicContact SD-CD1 3.87Å; M494-I496 HydrophobicContact SD-CG1 4.26Å
495K81.4Confident81.1Confident197 Ų19758.7 Ų58.786%0.85734%0.343SS*.  trans-87.3117.7178.2-63.3-172178.3-172.70110.7
496I82.8Confident81.1Confident13 Ų1357.2 Ų57.27%0.06734%0.335CS..  trans-121.2136.2-179.9-58.4174.2000109.7F428 C489 L492 M494 I498F428-I496 HydrophobicContact CE2-CD1 4.06Å; F428-I496 HydrophobicContact CZ-CD1 4.09Å; F428-I496 HydrophobicContact CZ-CG2 4.11Å; C489-I496 PolarHBondContact SG-N 2.92Å; C489-I496 VanDerWaalsContact SG-N 3.4Å; L492-I496 HydrophobicContact CD1-CD1 3.91Å; M494-I496 HydrophobicContact CG-CD1 3.94Å; M494-I496 HydrophobicContact CG-CG1 3.99Å; M494-I496 HydrophobicContact SD-CD1 3.87Å; M494-I496 HydrophobicContact SD-CG1 4.26Å; I496-I498 HydrophobicContact CB-CG1 4.44Å; I496-I498 HydrophobicContact CG2-CG1 4.11Å; I496-I498 PolarHBondContact O-N 3.17Å
497A78.3Confident81.1Confident98 Ų9854.1 Ų54.181%0.8132%0.32SS*.  trans-80.877.7176.800000111.9
498I81.1Confident81.1Confident18 Ų1855.5 Ų55.59%0.09233%0.329CS..  trans-74.6129.1176.4-57.7167000109.5A427 I485 V488 I496 L503A427-I498 HydrophobicContact CB-CD1 3.73Å; A427-I498 HydrophobicContact CB-CG1 4.13Å; I485-I498 HydrophobicContact CD1-CB 4.29Å; I485-I498 HydrophobicContact CG1-CB 4.06Å; I485-I498 HydrophobicContact CG1-CD1 4.42Å; I485-I498 HydrophobicContact CG1-CG2 4.33Å; I485-I498 HydrophobicContact CG2-CB 4.43Å; I485-I498 HydrophobicContact CG2-CD1 4.36Å; V488-I498 HydrophobicContact CB-CD1 4.24Å; V488-I498 HydrophobicContact CG1-CD1 3.64Å; I496-I498 HydrophobicContact CB-CG1 4.44Å; I496-I498 HydrophobicContact CG2-CG1 4.11Å; I496-I498 PolarHBondContact O-N 3.17Å; I498-L503 HydrophobicContact CG2-CD1 4.2Å; I498-L503 HydrophobicContact CG2-CD2 4.31Å; I498-L503 HydrophobicContact CG2-CG 4.07Å
499K79.9Confident80.9Confident144 Ų14455.6 Ų55.663%0.62633%0.33SS*.  trans-81.5130.9177.3-69-175178.4-177.80110.7S501 S502K499-S501 PolarHBondContact O-N 2.95Å; K499-S501 VanDerWaalsContact O-N 3.14Å; K499-S502 WeakPolarHBondContact O-CB 3.49Å; K499-S502 PolarHBondContact O-N 3.04Å
500P76.9Confident80.6Confident77 Ų7754.7 Ų54.750%0.532%0.324SS..THydrogen-bonded Turntrans-56.3-30.6176.7-28.436.1000114.3L481 S502 L503L481-P500 HydrophobicContact CD1-CB 4.01Å; P500-S502 VanDerWaalsContact C-N 3.34Å; P500-S502 PolarHBondContact O-N 2.95Å; P500-L503 PolarHBondContact O-N 3.11Å
501S75.6Confident80.5Confident84 Ų8451.5 Ų51.559%0.58730%0.3SS*.THydrogen-bonded Turntrans-67-31.2175.3520000113.4K499 L503 S504K499-S501 PolarHBondContact O-N 2.95Å; K499-S501 VanDerWaalsContact O-N 3.14Å; S501-L503 VanDerWaalsContact C-N 3.31Å; S501-L503 PolarHBondContact O-N 3.12Å; S501-S504 VanDerWaalsContact O-CB 3.32Å; S501-S504 WeakPolarHBondContact O-CB 3.3Å; S501-S504 PolarHBondContact O-N 3.21Å; S501-S504 PolarHBondContact O-OG 2.91Å
502S74.6Confident80.5Confident47 Ų4755.8 Ų55.833%0.32932%0.317SS..THydrogen-bonded Turntrans-67-33.6175-59.80000112K499 P500 S504K499-S502 WeakPolarHBondContact O-CB 3.49Å; K499-S502 PolarHBondContact O-N 3.04Å; P500-S502 VanDerWaalsContact C-N 3.34Å; P500-S502 PolarHBondContact O-N 2.95Å; S502-S504 PolarHBondContact O-N 3.3Å
503L80.8Confident80.2Confident2 Ų261.4 Ų61.41%0.0134%0.343CS..Hα-helixtrans-71.4-8.8176.7-66.8173.5000113.7L426 F476 L481 I485 I498 P500 S501 M506 K507L426-L503 HydrophobicContact CD1-CD2 3.67Å; L426-L503 HydrophobicContact CG-CD2 4.27Å; L426-L503 WeakPolarHBondContact O-CD2 3.24Å; F476-L503 HydrophobicContact CE1-CB 4.35Å; L481-L503 HydrophobicContact CB-CD1 4.46Å; L481-L503 HydrophobicContact CD2-CD1 4.4Å; I485-L503 HydrophobicContact CD1-CD1 4.41Å; I485-L503 HydrophobicContact CG1-CD1 4.14Å; I498-L503 HydrophobicContact CG2-CD1 4.2Å; I498-L503 HydrophobicContact CG2-CD2 4.31Å; I498-L503 HydrophobicContact CG2-CG 4.07Å; P500-L503 PolarHBondContact O-N 3.11Å; S501-L503 VanDerWaalsContact C-N 3.31Å; S501-L503 PolarHBondContact O-N 3.12Å; L503-M506 PolarHBondContact O-N 2.78Å; L503-K507 WeakPolarHBondContact O-CB 3.46Å; L503-K507 PolarHBondContact O-N 3.41Å
504S81.1Confident80Confident70 Ų7060.4 Ų60.449%0.4933%0.328SS..Hα-helixtrans-63.1-46.7-176.562.30000113.4S501 S502 K507 T508S501-S504 VanDerWaalsContact O-CB 3.32Å; S501-S504 WeakPolarHBondContact O-CB 3.3Å; S501-S504 PolarHBondContact O-N 3.21Å; S501-S504 PolarHBondContact O-OG 2.91Å; S502-S504 PolarHBondContact O-N 3.3Å; S504-K507 WeakPolarHBondContact O-CB 3.36Å; S504-K507 PolarHBondContact O-N 3.16Å; S504-T508 PolarHBondContact O-N 3.02Å; S504-T508 VanDerWaalsContact O-N 3.13Å; S504-T508 PolarHBondContact O-OG1 2.66Å
505K79.6Confident79.8Confident71 Ų7159.7 Ų59.731%0.30933%0.325SS..Hα-helixtrans-60.3-48176.4-175177.6177.5-179.70111.1V432 E438 K507 T508 I509V432-K505 PolarHBondContact O-NZ 3.12Å; E438-K505 VanDerWaalsContact CD-NZ 3.27Å; E438-K505 WeakPolarHBondContact OE1-CE 3.17Å; E438-K505 IonicContact OE1-NZ 3.2Å; E438-K505 PolarHBondContact OE1-NZ 3.13Å; E438-K505 WeakPolarHBondContact OE2-CE 3.25Å; E438-K505 IonicContact OE2-NZ 2.74Å; E438-K505 PolarHBondContact OE2-NZ 3.18Å; K505-K507 VanDerWaalsContact C-N 3.32Å; K505-K507 PolarHBondContact O-N 2.72Å; K505-T508 WeakPolarHBondContact O-CB 3.43Å; K505-T508 PolarHBondContact O-N 3.47Å; K505-T508 VanDerWaalsContact O-N 3.16Å; K505-I509 HydrophobicContact CG-CD1 4.23Å; K505-I509 WeakPolarHBondContact O-CG1 3.35Å; K505-I509 PolarHBondContact O-N 2.75Å
506M82.4Confident79.9Confident4 Ų452.9 Ų52.92%0.0230%0.3CS..Hα-helixtrans-62.6-36.8177.8-166.963.1122.300112.3L425 L426 M441 F476 L503 I509 F510L425-M506 HydrophobicContact CB-CE 4.15Å; L426-M506 HydrophobicContact CB-CE 4.43Å; L426-M506 HydrophobicContact CD1-CB 4.49Å; L426-M506 HydrophobicContact CD1-CE 4.45Å; L426-M506 HydrophobicContact CD1-CG 3.7Å; M441-M506 HydrophobicContact CE-CE 4.36Å; M441-M506 HydrophobicContact CE-SD 3.91Å; M441-M506 HydrophobicContact SD-CE 3.88Å; M441-M506 HydrophobicContact SD-SD 4.22Å; F476-M506 HydrophobicContact CE2-CG 4.04Å; F476-M506 HydrophobicContact CZ-CB 4.07Å; F476-M506 HydrophobicContact CZ-CG 3.85Å; L503-M506 PolarHBondContact O-N 2.78Å; M506-I509 PolarHBondContact O-N 3.16Å; M506-F510 HydrophobicContact CE-CE2 4.27Å; M506-F510 HydrophobicContact CG-CD2 4.02Å; M506-F510 HydrophobicContact CG-CE2 4.27Å; M506-F510 WeakPolarHBondContact O-CB 3.5Å; M506-F510 PolarHBondContact O-N 3.16Å; M506-F510 HydrophobicContact SD-CD2 3.85Å; M506-F510 HydrophobicContact SD-CE2 3.78Å
507K83.1Confident79.7Confident61 Ų6155.1 Ų55.127%0.26531%0.31SS..Hα-helixtrans-61.1-42173.6-178.5179.9177.1-176.70112.2F476 N479 L503 S504 K505 T511F476-K507 HydrophobicContact CB-CG 4.12Å; F476-K507 HydrophobicContact CD1-CB 3.5Å; F476-K507 VanDerWaalsContact CD1-CB 3.5Å; F476-K507 HydrophobicContact CD1-CD 4.29Å; F476-K507 HydrophobicContact CD1-CG 3.64Å; F476-K507 HydrophobicContact CE1-CB 3.67Å; F476-K507 HydrophobicContact CE1-CG 4.32Å; F476-K507 HydrophobicContact CG-CB 4.19Å; F476-K507 HydrophobicContact CG-CG 4.11Å; F476-K507 HydrophobicContact CZ-CB 4.46Å; F476-K507 VanDerWaalsContact O-CE 3.23Å; F476-K507 WeakPolarHBondContact O-CE 3.49Å; N479-K507 PolarHBondContact OD1-NZ 2.95Å; L503-K507 WeakPolarHBondContact O-CB 3.46Å; L503-K507 PolarHBondContact O-N 3.41Å; S504-K507 WeakPolarHBondContact O-CB 3.36Å; S504-K507 PolarHBondContact O-N 3.16Å; K505-K507 VanDerWaalsContact C-N 3.32Å; K505-K507 PolarHBondContact O-N 2.72Å; K507-T511 HydrophobicContact CG-CG2 4.25Å; K507-T511 WeakPolarHBondContact O-CB 3.46Å; K507-T511 WeakPolarHBondContact O-CG2 3.34Å; K507-T511 PolarHBondContact O-N 2.69Å; K507-T511 PolarHBondContact O-OG1 3.29Å
508T83.9Confident79.9Confident64 Ų6456.4 Ų56.439%0.39330%0.299SS..Hα-helixtrans-61.6-53.5177.3-550000110.5S504 K505 F510 T511 Q512S504-T508 PolarHBondContact O-N 3.02Å; S504-T508 VanDerWaalsContact O-N 3.13Å; S504-T508 PolarHBondContact O-OG1 2.66Å; K505-T508 WeakPolarHBondContact O-CB 3.43Å; K505-T508 PolarHBondContact O-N 3.47Å; K505-T508 VanDerWaalsContact O-N 3.16Å; T508-F510 PolarHBondContact O-N 2.69Å; T508-T511 PolarHBondContact O-N 2.72Å; T508-Q512 HydrophobicContact CG2-CG 4.37Å; T508-Q512 VanDerWaalsContact O-CB 3.32Å; T508-Q512 WeakPolarHBondContact O-CB 3.25Å; T508-Q512 WeakPolarHBondContact O-CG 3.48Å; T508-Q512 PolarHBondContact O-N 3.44Å
509I80.8Confident79.8Confident4 Ų458.1 Ų58.12%0.02131%0.31CS..Iπ-helixtrans-55.5-49.5179-62.7166.8000110.7E438 M441 V442 K505 M506 E513 I514E438-I509 HydrophobicContact CG-CD1 4.17Å; E438-I509 WeakPolarHBondContact OE1-CD1 3.36Å; M441-I509 HydrophobicContact CE-CD1 3.61Å; M441-I509 HydrophobicContact CE-CG2 4.4Å; V442-I509 HydrophobicContact CG2-CG2 3.69Å; K505-I509 HydrophobicContact CG-CD1 4.23Å; K505-I509 WeakPolarHBondContact O-CG1 3.35Å; K505-I509 PolarHBondContact O-N 2.75Å; M506-I509 PolarHBondContact O-N 3.16Å; I509-E513 WeakPolarHBondContact O-CB 3.19Å; I509-E513 PolarHBondContact O-N 2.9Å; I509-I514 HydrophobicContact CG2-CD1 3.6Å; I509-I514 HydrophobicContact CG2-CG1 4.01Å; I509-I514 PolarHBondContact O-N 2.65Å; I509-I514 VanDerWaalsContact O-N 3.09Å
510F80.1Confident79.8Confident0 Ų051.3 Ų51.30%028%0.281CS..Iπ-helixtrans-63.9-42.9179-95.7-105.2000113.2F422 L445 L469 V472 A473 F476 M506 T508 I514 F515F422-F510 HydrophobicContact CE2-CE1 4.34Å; F422-F510 AromaticContact CE2-CE2 3.95Å; F422-F510 HydrophobicContact CE2-CE2 3.95Å; F422-F510 AromaticContact CE2-CZ 3.42Å; F422-F510 HydrophobicContact CE2-CZ 3.42Å; F422-F510 VanDerWaalsContact CE2-CZ 3.42Å; F422-F510 HydrophobicContact CZ-CE1 4.14Å; F422-F510 HydrophobicContact CZ-CE2 4.45Å; F422-F510 AromaticContact CZ-CZ 3.66Å; F422-F510 HydrophobicContact CZ-CZ 3.66Å; L445-F510 HydrophobicContact CD1-CE2 3.82Å; L445-F510 HydrophobicContact CD1-CZ 4.27Å; L445-F510 HydrophobicContact CD2-CZ 4.25Å; L469-F510 HydrophobicContact CD2-CE1 4.05Å; L469-F510 HydrophobicContact CD2-CZ 3.81Å; V472-F510 HydrophobicContact CG1-CD1 4.47Å; V472-F510 HydrophobicContact CG1-CE1 4.35Å; A473-F510 HydrophobicContact CB-CD1 4.15Å; F476-F510 HydrophobicContact CD2-CB 3.54Å; F476-F510 HydrophobicContact CD2-CD1 4.05Å; F476-F510 HydrophobicContact CD2-CD2 4.45Å; F476-F510 AromaticContact CD2-CG 3.75Å; F476-F510 HydrophobicContact CD2-CG 3.75Å; F476-F510 HydrophobicContact CE2-CB 3.94Å; F476-F510 HydrophobicContact CE2-CD1 4.28Å; F476-F510 HydrophobicContact CE2-CD2 4.05Å; F476-F510 AromaticContact CE2-CG 3.8Å; F476-F510 HydrophobicContact CE2-CG 3.8Å; F476-F510 HydrophobicContact CG-CB 4.39Å; M506-F510 HydrophobicContact CE-CE2 4.27Å; M506-F510 HydrophobicContact CG-CD2 4.02Å; M506-F510 HydrophobicContact CG-CE2 4.27Å; M506-F510 WeakPolarHBondContact O-CB 3.5Å; M506-F510 PolarHBondContact O-N 3.16Å; M506-F510 HydrophobicContact SD-CD2 3.85Å; M506-F510 HydrophobicContact SD-CE2 3.78Å; T508-F510 PolarHBondContact O-N 2.69Å; F510-I514 HydrophobicContact CD2-CD1 4.49Å; F510-I514 HydrophobicContact CE2-CD1 4.39Å; F510-F515 AromaticContact CD1-CD2 3.77Å; F510-F515 HydrophobicContact CD1-CD2 3.77Å; F510-F515 HydrophobicContact CD1-CE2 4.33Å; F510-F515 AromaticContact CE1-CD2 3.83Å; F510-F515 HydrophobicContact CE1-CD2 3.83Å; F510-F515 AromaticContact CE1-CE2 3.91Å; F510-F515 HydrophobicContact CE1-CE2 3.91Å; F510-F515 CarbonylContact O-C 3.6Å; F510-F515 WeakPolarHBondContact O-CA 3.39Å; F510-F515 WeakPolarHBondContact O-CB 3.41Å; F510-F515 PolarHBondContact O-N 2.87Å; F510-F515 VanDerWaalsContact O-O 3.11Å
511T81Confident79.8Confident26 Ų2647.7 Ų47.716%0.1626%0.257CS..Iπ-helixtrans-85.8-20.9-173.458.70000114.7F476 K507 T508F476-T511 HydrophobicContact CB-CG2 3.79Å; K507-T511 HydrophobicContact CG-CG2 4.25Å; K507-T511 WeakPolarHBondContact O-CB 3.46Å; K507-T511 WeakPolarHBondContact O-CG2 3.34Å; K507-T511 PolarHBondContact O-N 2.69Å; K507-T511 PolarHBondContact O-OG1 3.29Å; T508-T511 PolarHBondContact O-N 2.72Å
512Q80.8Confident80Confident134 Ų13445.8 Ų45.863%0.62625%0.247SC*.Iπ-helixtrans-110.9-36.8-174.5-58.3-173.3-4.300113.6T508T508-Q512 HydrophobicContact CG2-CG 4.37Å; T508-Q512 VanDerWaalsContact O-CB 3.32Å; T508-Q512 WeakPolarHBondContact O-CB 3.25Å; T508-Q512 WeakPolarHBondContact O-CG 3.48Å; T508-Q512 PolarHBondContact O-N 3.44Å
513E76.7Confident80Confident119 Ų11944.9 Ų44.956%0.55624%0.237SC*.Iπ-helixtrans-104.6-45.3-171.6-55.5-178158.200112.5I509I509-E513 WeakPolarHBondContact O-CB 3.19Å; I509-E513 PolarHBondContact O-N 2.9Å
514I76.4Confident79.7Confident20 Ų2044.8 Ų44.810%0.10324%0.237CC..Iπ-helixtrans-95.4-53.1-170.6-55.4-179.1000112.1V442 L445 I449 I509 F510V442-I514 HydrophobicContact CG1-CG1 4.37Å; V442-I514 HydrophobicContact CG2-CD1 4.49Å; L445-I514 HydrophobicContact CB-CD1 3.75Å; L445-I514 HydrophobicContact CD1-CD1 3.47Å; L445-I514 VanDerWaalsContact CD1-CD1 3.47Å; L445-I514 HydrophobicContact CG-CD1 4.25Å; I449-I514 HydrophobicContact CD1-CG2 3.35Å; I509-I514 HydrophobicContact CG2-CD1 3.6Å; I509-I514 HydrophobicContact CG2-CG1 4.01Å; I509-I514 PolarHBondContact O-N 2.65Å; I509-I514 VanDerWaalsContact O-N 3.09Å; F510-I514 HydrophobicContact CD2-CD1 4.49Å; F510-I514 HydrophobicContact CE2-CD1 4.39Å
515F78.3Confident79.4Confident1 Ų143 Ų430%0.00422%0.223CC..SBendtrans-127.979.4-172.2-76.7-68.3000110.6I449 L469 L470 A473 H477 F510 V519 V520I449-F515 HydrophobicContact CD1-CD1 4.48Å; I449-F515 HydrophobicContact CD1-CD2 4.28Å; I449-F515 HydrophobicContact CD1-CE1 3.83Å; I449-F515 HydrophobicContact CD1-CE2 3.6Å; I449-F515 HydrophobicContact CD1-CZ 3.36Å; I449-F515 HydrophobicContact CG1-CE1 4.21Å; I449-F515 HydrophobicContact CG1-CE2 4.14Å; I449-F515 HydrophobicContact CG1-CZ 3.59Å; L469-F515 HydrophobicContact CB-CE2 3.99Å; L469-F515 HydrophobicContact CB-CZ 4.02Å; L470-F515 HydrophobicContact CD2-CD1 4.23Å; L470-F515 HydrophobicContact CD2-CE1 3.55Å; L470-F515 HydrophobicContact CD2-CZ 4.06Å; L470-F515 HydrophobicContact CG-CE1 4.44Å; A473-F515 HydrophobicContact CB-CB 3.7Å; A473-F515 HydrophobicContact CB-CD1 4.43Å; A473-F515 HydrophobicContact CB-CD2 3.69Å; A473-F515 HydrophobicContact CB-CE2 4.32Å; A473-F515 HydrophobicContact CB-CG 3.73Å; H477-F515 PolarHBondContact NE2-O 3.25Å; F510-F515 AromaticContact CD1-CD2 3.77Å; F510-F515 HydrophobicContact CD1-CD2 3.77Å; F510-F515 HydrophobicContact CD1-CE2 4.33Å; F510-F515 AromaticContact CE1-CD2 3.83Å; F510-F515 HydrophobicContact CE1-CD2 3.83Å; F510-F515 AromaticContact CE1-CE2 3.91Å; F510-F515 HydrophobicContact CE1-CE2 3.91Å; F510-F515 CarbonylContact O-C 3.6Å; F510-F515 WeakPolarHBondContact O-CA 3.39Å; F510-F515 WeakPolarHBondContact O-CB 3.41Å; F510-F515 PolarHBondContact O-N 2.87Å; F510-F515 VanDerWaalsContact O-O 3.11Å; F515-V519 HydrophobicContact CD1-CG1 4.06Å; F515-V520 HydrophobicContact CB-CG2 3.72Å; F515-V520 HydrophobicContact CD1-CG2 4.4Å; F515-V520 HydrophobicContact CG-CG2 4.43Å
516T83.3Confident79Confident54 Ų5446.7 Ų46.733%0.33124%0.235SC..  trans-65.5161.5175.665.70000112.2Q518 V519 V520T516-Q518 PolarHBondContact O-N 3.48Å; T516-V519 PolarHBondContact O-N 2.86Å; T516-V520 WeakPolarHBondContact O-CG2 3.42Å; T516-V520 PolarHBondContact O-N 2.85Å
517E79.9Confident78.6Confident60 Ų6047.9 Ų47.928%0.2824%0.242SC..Hα-helixtrans-52.3-33.8179.4-170.5177.7-169.400112.2T521 A554 K557E517-T521 WeakPolarHBondContact O-CB 3.38Å; E517-T521 WeakPolarHBondContact O-CG2 3.46Å; E517-T521 PolarHBondContact O-N 3.39Å; E517-T521 PolarHBondContact O-OG1 3.47Å; E517-A554 HydrophobicContact CG-CB 4.05Å; E517-A554 WeakPolarHBondContact OE1-CB 3.32Å; E517-K557 IonicContact OE1-NZ 3.45Å; E517-K557 PolarHBondContact OE1-NZ 2.79Å; E517-K557 IonicContact OE2-NZ 3.65Å; E517-K557 PolarHBondContact OE2-NZ 3.07Å
518Q81.6Confident78Confident124 Ų12448 Ų4858%0.57925%0.254SS*.Hα-helixtrans-70.7-42.8176.6-174.6172-1600113.5T516 T521 A522T516-Q518 PolarHBondContact O-N 3.48Å; Q518-T521 WeakPolarHBondContact CA-OG1 3.44Å; Q518-T521 PolarHBondContact O-OG1 3.06Å; Q518-T521 VanDerWaalsContact O-OG1 3.09Å; Q518-A522 WeakPolarHBondContact O-CB 3.43Å; Q518-A522 PolarHBondContact O-N 2.86Å; Q518-A522 VanDerWaalsContact O-N 3.13Å
519V79.6Confident77.9Confident54 Ų5446 Ų4633%0.32724%0.242SC..Hα-helixtrans-68.9-44.2178.4176.80000109.9F515 T516 T521 A522 H523F515-V519 HydrophobicContact CD1-CG1 4.06Å; T516-V519 PolarHBondContact O-N 2.86Å; V519-T521 PolarHBondContact O-N 2.99Å; V519-A522 PolarHBondContact O-N 3.31Å; V519-H523 PolarHBondContact O-CD2 2.76Å; V519-H523 PolarHBondContact O-N 3.01Å
520V78.8Confident77.9Confident2 Ų246.9 Ų46.91%0.01225%0.248CC..Hα-helixtrans-62-44.2178.6176.20000111.4A473 M474 F515 T516 A522 H523 A524 L549A473-V520 HydrophobicContact CB-CG2 4.07Å; M474-V520 HydrophobicContact CG-CG1 3.48Å; M474-V520 VanDerWaalsContact CG-CG1 3.48Å; M474-V520 HydrophobicContact SD-CG1 4.35Å; F515-V520 HydrophobicContact CB-CG2 3.72Å; F515-V520 HydrophobicContact CD1-CG2 4.4Å; F515-V520 HydrophobicContact CG-CG2 4.43Å; T516-V520 WeakPolarHBondContact O-CG2 3.42Å; T516-V520 PolarHBondContact O-N 2.85Å; V520-A522 VanDerWaalsContact C-N 3.35Å; V520-A522 PolarHBondContact O-N 3.43Å; V520-H523 PolarHBondContact O-N 2.97Å; V520-A524 VanDerWaalsContact O-CB 3.24Å; V520-A524 WeakPolarHBondContact O-CB 3.47Å; V520-A524 PolarHBondContact O-N 2.93Å; V520-L549 HydrophobicContact CG1-CD1 4.41Å
521T78.4Confident77.9Confident0 Ų052.2 Ų52.20%028%0.276CS..Hα-helixtrans-64.7-36.517642.60000113.1E517 Q518 V519 L549 A554 F555E517-T521 WeakPolarHBondContact O-CB 3.38Å; E517-T521 WeakPolarHBondContact O-CG2 3.46Å; E517-T521 PolarHBondContact O-N 3.39Å; E517-T521 PolarHBondContact O-OG1 3.47Å; Q518-T521 WeakPolarHBondContact CA-OG1 3.44Å; Q518-T521 PolarHBondContact O-OG1 3.06Å; Q518-T521 VanDerWaalsContact O-OG1 3.09Å; V519-T521 PolarHBondContact O-N 2.99Å; T521-L549 HydrophobicContact CG2-CD2 4.11Å; T521-A554 HydrophobicContact CG2-CB 3.36Å; T521-F555 HydrophobicContact CG2-CD1 4.25Å; T521-F555 HydrophobicContact CG2-CE1 4.39Å
522A79Confident77.8Confident44 Ų4454.2 Ų54.236%0.36429%0.291SS..Hα-helixtrans-72.2-30.517700000113.9Q518 V519 V520Q518-A522 WeakPolarHBondContact O-CB 3.43Å; Q518-A522 PolarHBondContact O-N 2.86Å; Q518-A522 VanDerWaalsContact O-N 3.13Å; V519-A522 PolarHBondContact O-N 3.31Å; V520-A522 VanDerWaalsContact C-N 3.35Å; V520-A522 PolarHBondContact O-N 3.43Å
523H73.9Confident77.9Confident28 Ų2847.8 Ų47.813%0.1326%0.262CS..Hα-helixtrans-80.6-31.3172.1-80.9-113.2000112.4E452 L470 V519 V520 V525 R526 V527E452-H523 IonicContact OE1-CE1 3.45Å; E452-H523 IonicContact OE1-ND1 2.68Å; L470-H523 HydrophobicContact CD1-CB 4.2Å; L470-H523 HydrophobicContact CD2-CB 3.59Å; V519-H523 PolarHBondContact O-CD2 2.76Å; V519-H523 PolarHBondContact O-N 3.01Å; V520-H523 PolarHBondContact O-N 2.97Å; H523-V525 PolarHBondContact O-N 2.97Å; H523-V525 VanDerWaalsContact O-N 3.07Å; H523-R526 PolarHBondContact CD2-NH2 3.46Å; H523-R526 PolarHBondContact CE1-NH2 3.37Å; H523-R526 VanDerWaalsContact CE1-NH2 3.31Å; H523-R526 PolarHBondContact NE2-NH2 3.42Å; H523-R526 WeakPolarHBondContact O-CB 3.39Å; H523-R526 PolarHBondContact O-N 2.9Å; H523-V527 PolarHBondContact O-N 3.48Å
524A74.7Confident78.2Confident1 Ų142.8 Ų42.81%0.00824%0.24CC..Hα-helixtrans-58.7-24.6-176.900000114.9M474 V520 I546 L549 F555M474-A524 HydrophobicContact SD-CB 4.41Å; V520-A524 VanDerWaalsContact O-CB 3.24Å; V520-A524 WeakPolarHBondContact O-CB 3.47Å; V520-A524 PolarHBondContact O-N 2.93Å; A524-I546 HydrophobicContact CB-CD1 3.87Å; A524-L549 HydrophobicContact CB-CD1 3.82Å; A524-F555 HydrophobicContact CB-CE1 4.05Å; A524-F555 HydrophobicContact CB-CZ 4.05Å
525V74.9Confident78.4Confident33 Ų3344.2 Ų44.220%0.225%0.254CS..THydrogen-bonded Turntrans-77.5-23.9174.5-176.20000112.8H523 F555 V560 I562H523-V525 PolarHBondContact O-N 2.97Å; H523-V525 VanDerWaalsContact O-N 3.07Å; V525-F555 HydrophobicContact CG2-CE1 4.25Å; V525-V560 HydrophobicContact CG2-CG1 3.4Å; V525-I562 HydrophobicContact CG2-CD1 3.92Å
526R71.9Confident78.4Confident148 Ų14849.9 Ų49.956%0.55828%0.284SS*.THydrogen-bonded Turntrans-82.7-23.5177.7-77-177.9-86.2158.2-3.8113.1H523 A528H523-R526 PolarHBondContact CD2-NH2 3.46Å; H523-R526 PolarHBondContact CE1-NH2 3.37Å; H523-R526 VanDerWaalsContact CE1-NH2 3.31Å; H523-R526 PolarHBondContact NE2-NH2 3.42Å; H523-R526 WeakPolarHBondContact O-CB 3.39Å; H523-R526 PolarHBondContact O-N 2.9Å; R526-A528 PolarHBondContact O-N 3.16Å
527V72.9Confident77.9Confident28 Ų2850.3 Ų50.317%0.1728%0.284CS..SBendtrans-55.8131.9175.5-179.70000110.1H523 P542 W565H523-V527 PolarHBondContact O-N 3.48Å; V527-P542 HydrophobicContact CG1-CB 4Å; V527-P542 HydrophobicContact CG1-CG 3.83Å; V527-W565 VanDerWaalsContact O-CD1 3.29Å; V527-W565 PolarHBondContact O-NE1 3.23Å
528A72.2Confident76.9Confident63 Ų6354 Ų5452%0.52131%0.311SS..PPolyproline II helixtrans-58.2150.4178.800000112.1R526R526-A528 PolarHBondContact O-N 3.16Å
529V81.5Confident76.2Confident22 Ų2250.7 Ų50.713%0.13331%0.31CS..PPolyproline II helixtrans-73.5150.2169.6-64.60000109.6N531 W565 R568 Q569 E572V529-N531 PolarHBondContact O-N 2.99Å; V529-W565 HydrophobicContact CG1-CD2 4.19Å; V529-W565 HydrophobicContact CG1-CG 4.28Å; V529-W565 HydrophobicContact CG1-CZ2 4.3Å; V529-R568 HydrophobicContact CG1-CB 3.84Å; V529-R568 HydrophobicContact CG2-CB 4.42Å; V529-Q569 HydrophobicContact CB-CB 4.28Å; V529-Q569 HydrophobicContact CG1-CB 3.93Å; V529-E572 HydrophobicContact CG2-CG 4.05Å
530T79.8Confident75.4Confident23 Ų2349.8 Ų49.814%0.14130%0.302CS..  trans-75.3107173.4-55.20000108.9L533 I537 L541 Q569T530-L533 HydrophobicContact CG2-CB 4.15Å; T530-L533 HydrophobicContact CG2-CD1 4.04Å; T530-I537 HydrophobicContact CG2-CD1 3.97Å; T530-L541 HydrophobicContact CG2-CD2 3.71Å; T530-Q569 PolarHBondContact O-NE2 3.43Å
531N79.8Confident75.2Confident112 Ų11250.4 Ų50.460%0.59931%0.305SS*.THydrogen-bonded Turntrans-60.7136.7174.6-58.2-21.5000110.5V529 L533V529-N531 PolarHBondContact O-N 2.99Å; N531-L533 VanDerWaalsContact C-N 3.31Å; N531-L533 PolarHBondContact O-N 3.46Å
532S80.2Confident75.2Confident68 Ų6851.8 Ų51.848%0.47631%0.314SS..THydrogen-bonded Turntrans50.445.1-179.3-60.70000114.5S534 E572 T574S532-S534 PolarHBondContact O-N 3.31Å; S532-E572 CarbonylContact C-O 3.6Å; S532-E572 WeakPolarHBondContact CA-O 3.38Å; S532-E572 PolarHBondContact N-O 3.04Å; S532-E572 PolarHBondContact N-OE2 3.39Å; S532-T574 PolarHBondContact O-OG1 3.1Å; S532-T574 VanDerWaalsContact O-OG1 3.1Å
533L81.9Confident75.3Confident0 Ų049.7 Ų49.70%030%0.297CS..BIsolated β-bridgetrans-61.7119.3-179.5174.962.1000111.5T530 N531 I537 L541 I543 Q569 E572 T573 T574 H578 L581T530-L533 HydrophobicContact CG2-CB 4.15Å; T530-L533 HydrophobicContact CG2-CD1 4.04Å; N531-L533 VanDerWaalsContact C-N 3.31Å; N531-L533 PolarHBondContact O-N 3.46Å; L533-I537 HydrophobicContact CD1-CD1 4.41Å; L533-L541 HydrophobicContact CD1-CD2 3.9Å; L533-I543 HydrophobicContact CD2-CD1 3.7Å; L533-Q569 HydrophobicContact CD2-CG 4.27Å; L533-E572 PolarHBondContact N-O 2.91Å; L533-T573 HydrophobicContact CB-CG2 4.17Å; L533-T573 HydrophobicContact CD2-CG2 4.15Å; L533-T573 HydrophobicContact CG-CG2 4.4Å; L533-T574 PolarHBondContact O-N 3.5Å; L533-T574 PolarHBondContact O-OG1 3.36Å; L533-H578 HydrophobicContact CD1-CB 4.07Å; L533-H578 HydrophobicContact CD2-CB 4.48Å; L533-H578 HydrophobicContact CG-CB 4.05Å; L533-L581 HydrophobicContact CD2-CD1 4.44Å; L533-L581 HydrophobicContact CD2-CD2 4.15Å; L533-L581 HydrophobicContact CD2-CG 4.42Å
534S83.6Confident75.6Confident14 Ų1449.9 Ų49.910%0.09830%0.298CS..  trans-139.6165.9176.359.90000111.3S532 N536 I537 P576S532-S534 PolarHBondContact O-N 3.31Å; S534-N536 PolarHBondContact O-N 3.46Å; S534-N536 VanDerWaalsContact O-N 3.13Å; S534-I537 PolarHBondContact O-N 3.2Å; S534-P576 CarbonylContact C-O 3.57Å; S534-P576 VanDerWaalsContact CA-O 3.26Å; S534-P576 WeakPolarHBondContact CA-O 3.43Å; S534-P576 WeakPolarHBondContact CB-O 3.42Å
535A80.1Confident75.6Confident49 Ų4950 Ų5041%0.40530%0.298SS..THydrogen-bonded Turntrans-65.4-10.1177.900000114.5P576A535-P576 HydrophobicContact CB-CB 4.41Å; A535-P576 HydrophobicContact CB-CG 4.07Å; A535-P576 PolarHBondContact N-O 2.83Å
536N78.5Confident76.1Confident120 Ų12048.5 Ų48.564%0.64229%0.289SS*.THydrogen-bonded Turntrans-81.9-12.5-179.8-64.8-23.2000113.2S534 T538S534-N536 PolarHBondContact O-N 3.46Å; S534-N536 VanDerWaalsContact O-N 3.13Å; N536-T538 PolarHBondContact O-N 3.15Å
537I72.9Confident76.7Confident63 Ų6343.6 Ų43.632%0.32327%0.271SS..  trans-82.1109.4-178.4-48.4178.3000109.4T530 L533 S534 L541T530-I537 HydrophobicContact CG2-CD1 3.97Å; L533-I537 HydrophobicContact CD1-CD1 4.41Å; S534-I537 PolarHBondContact O-N 3.2Å; I537-L541 HydrophobicContact CB-CD2 3.97Å; I537-L541 HydrophobicContact CD1-CD2 4.29Å; I537-L541 HydrophobicContact CG2-CD2 3.64Å; I537-L541 HydrophobicContact CG2-CG 4.5Å
538T59.8Low77.2Confident137 Ų13745.1 Ų45.184%0.8428%0.276SS*.  trans-83.6142.4-178.5570000112.9N536N536-T538 PolarHBondContact O-N 3.15Å
539G65.8Low77.7Confident55 Ų5542.7 Ų42.757%0.56726%0.255SS*.SBendtrans117-173.6-176.200000110.5
540F63.8Low77.9Confident36 Ų3641.7 Ų41.716%0.15825%0.249CC..  trans-110.9112.1175.8178.6-71.3000108.6Y475 Q480 H544 C545Y475-F540 HydrophobicContact CD1-CD1 4.11Å; Y475-F540 AromaticContact CD1-CE1 3.89Å; Y475-F540 HydrophobicContact CD1-CE1 3.89Å; Y475-F540 HydrophobicContact CD1-CZ 4.17Å; Y475-F540 HydrophobicContact CE1-CB 3.88Å; Y475-F540 AromaticContact CE1-CD1 3.2Å; Y475-F540 HydrophobicContact CE1-CD1 3.2Å; Y475-F540 HydrophobicContact CE1-CD2 4.08Å; Y475-F540 AromaticContact CE1-CE1 3.45Å; Y475-F540 HydrophobicContact CE1-CE1 3.45Å; Y475-F540 VanDerWaalsContact CE1-CE1 3.45Å; Y475-F540 HydrophobicContact CE1-CE2 4.31Å; Y475-F540 AromaticContact CE1-CG 3.52Å; Y475-F540 HydrophobicContact CE1-CG 3.52Å; Y475-F540 HydrophobicContact CE1-CZ 4.01Å; Y475-F540 AromaticContact CZ-CD1 3.83Å; Y475-F540 WeakPolarHBondContact OH-CB 3.38Å; Y475-F540 PolarHBondContact OH-O 3.12Å; Q480-F540 HydrophobicContact CG-CE2 4.09Å; Q480-F540 HydrophobicContact CG-CZ 4.46Å; F540-H544 HydrophobicContact CD1-CB 3.88Å; F540-H544 HydrophobicContact CD2-CB 3.68Å; F540-H544 AromaticContact CD2-CG 3.87Å; F540-H544 HydrophobicContact CE1-CB 3.61Å; F540-H544 HydrophobicContact CE2-CB 3.36Å; F540-H544 HydrophobicContact CG-CB 3.95Å; F540-H544 HydrophobicContact CZ-CB 3.34Å; F540-C545 VanDerWaalsContact CE1-SG 3.59Å
541L74.5Confident78.1Confident15 Ų1548.3 Ų48.38%0.07927%0.271CS..  trans-93.1164.6-173.1-46.491.1000111.3T530 L533 I537 I543 H544T530-L541 HydrophobicContact CG2-CD2 3.71Å; L533-L541 HydrophobicContact CD1-CD2 3.9Å; I537-L541 HydrophobicContact CB-CD2 3.97Å; I537-L541 HydrophobicContact CD1-CD2 4.29Å; I537-L541 HydrophobicContact CG2-CD2 3.64Å; I537-L541 HydrophobicContact CG2-CG 4.5Å; L541-I543 HydrophobicContact CB-CG2 4.18Å; L541-I543 PolarHBondContact O-N 2.92Å; L541-H544 PolarHBondContact O-N 3.44Å
542P77.6Confident78.1Confident29 Ų2945.1 Ų45.119%0.18826%0.257CS..Hα-helixtrans-47.9-31.6176.8-32.537.7000115.1V527 H544 C545 I546 W565V527-P542 HydrophobicContact CG1-CB 4Å; V527-P542 HydrophobicContact CG1-CG 3.83Å; P542-H544 VanDerWaalsContact C-N 3.25Å; P542-H544 PolarHBondContact O-N 3.27Å; P542-C545 WeakPolarHBondContact O-CA 3.45Å; P542-C545 VanDerWaalsContact O-CB 3.24Å; P542-C545 WeakPolarHBondContact O-CB 3.26Å; P542-C545 PolarHBondContact O-N 3.45Å; P542-I546 WeakPolarHBondContact O-CG1 3.5Å; P542-I546 PolarHBondContact O-N 3.45Å; P542-W565 HydrophobicContact CB-CZ2 3.96Å
543I81.8Confident78.3Confident0 Ų044.7 Ų44.70%025%0.245CC..Hα-helixtrans-53.7-37.3176.5-167.9169.1000113.8L533 L541 Y547 Q580 L581 L584L533-I543 HydrophobicContact CD2-CD1 3.7Å; L541-I543 HydrophobicContact CB-CG2 4.18Å; L541-I543 PolarHBondContact O-N 2.92Å; I543-Y547 VanDerWaalsContact O-CB 3.28Å; I543-Y547 WeakPolarHBondContact O-CB 3.22Å; I543-Y547 PolarHBondContact O-N 3.38Å; I543-Q580 HydrophobicContact CD1-CB 4.3Å; I543-Q580 HydrophobicContact CG1-CB 4.42Å; I543-Q580 HydrophobicContact CG1-CG 4.31Å; I543-Q580 HydrophobicContact CG2-CB 4.44Å; I543-L581 HydrophobicContact CD1-CD2 3.53Å; I543-L581 HydrophobicContact CD1-CG 3.74Å; I543-L584 HydrophobicContact CD1-CD2 4.02Å; I543-L584 HydrophobicContact CG1-CD1 4.42Å; I543-L584 HydrophobicContact CG1-CD2 3.9Å
544H78.7Confident78.2Confident31 Ų3144.7 Ų44.714%0.14425%0.245CC..Hα-helixtrans-75-32.7178.3-58.4-90.9000111.7F540 L541 P542 Q548 H578 Q580F540-H544 HydrophobicContact CD1-CB 3.88Å; F540-H544 HydrophobicContact CD2-CB 3.68Å; F540-H544 AromaticContact CD2-CG 3.87Å; F540-H544 HydrophobicContact CE1-CB 3.61Å; F540-H544 HydrophobicContact CE2-CB 3.36Å; F540-H544 HydrophobicContact CG-CB 3.95Å; F540-H544 HydrophobicContact CZ-CB 3.34Å; L541-H544 PolarHBondContact O-N 3.44Å; P542-H544 VanDerWaalsContact C-N 3.25Å; P542-H544 PolarHBondContact O-N 3.27Å; H544-Q548 WeakPolarHBondContact O-CB 3.32Å; H544-Q548 PolarHBondContact O-N 2.96Å; H544-H578 AromaticContact CE1-CE1 3.62Å; H544-H578 AromaticContact NE2-CE1 3.34Å; H544-H578 PolarHBondContact NE2-CE1 3.35Å; H544-H578 VanDerWaalsContact NE2-CE1 3.34Å; H544-H578 AromaticContact NE2-NE2 3.57Å; H544-Q580 PolarHBondContact ND1-OE1 2.98Å; H544-Q580 VanDerWaalsContact ND1-OE1 3.09Å
545C75.3Confident78.2Confident4 Ų444 Ų443%0.02724%0.241CC..Hα-helixtrans-60.4-54170.6-50.40000110.6M474 F540 P542 Y547 Q548 L549M474-C545 HydrophobicContact CB-CB 4.18Å; M474-C545 HydrophobicContact CE-CB 4.09Å; M474-C545 HydrophobicContact CG-CB 4.31Å; M474-C545 HydrophobicContact SD-CB 3.46Å; M474-C545 WeakPolarHBondContact SD-CB 3.42Å; F540-C545 VanDerWaalsContact CE1-SG 3.59Å; P542-C545 WeakPolarHBondContact O-CA 3.45Å; P542-C545 VanDerWaalsContact O-CB 3.24Å; P542-C545 WeakPolarHBondContact O-CB 3.26Å; P542-C545 PolarHBondContact O-N 3.45Å; C545-Y547 VanDerWaalsContact C-N 3.35Å; C545-Y547 PolarHBondContact O-N 3.32Å; C545-Q548 PolarHBondContact O-N 3Å; C545-L549 WeakPolarHBondContact O-CB 3.43Å; C545-L549 WeakPolarHBondContact O-CG 3.35Å; C545-L549 PolarHBondContact O-N 3.08Å
546I84.8Confident78.1Confident2 Ų241.8 Ų41.81%0.0122%0.222CC..Hα-helixtrans-63.9-40.7-177.6-55.7-53.8000110.7A524 P542 L549 L550 F555 I562 W565 I566 L584A524-I546 HydrophobicContact CB-CD1 3.87Å; P542-I546 WeakPolarHBondContact O-CG1 3.5Å; P542-I546 PolarHBondContact O-N 3.45Å; I546-L549 PolarHBondContact O-N 2.94Å; I546-L550 HydrophobicContact CG2-CD1 4.11Å; I546-L550 WeakPolarHBondContact O-CB 3.27Å; I546-L550 WeakPolarHBondContact O-CG 3.49Å; I546-L550 PolarHBondContact O-N 3.39Å; I546-F555 HydrophobicContact CD1-CZ 3.86Å; I546-F555 HydrophobicContact CG2-CE2 4.08Å; I546-F555 HydrophobicContact CG2-CZ 4.34Å; I546-I562 HydrophobicContact CD1-CD1 4.07Å; I546-I562 HydrophobicContact CG2-CD1 3.97Å; I546-I562 HydrophobicContact CG2-CG1 3.82Å; I546-W565 HydrophobicContact CB-CE3 4.38Å; I546-W565 HydrophobicContact CB-CH2 4.32Å; I546-W565 HydrophobicContact CB-CZ3 4Å; I546-W565 HydrophobicContact CG1-CD2 4.15Å; I546-W565 HydrophobicContact CG1-CE3 3.94Å; I546-W565 HydrophobicContact CG1-CH2 3.72Å; I546-W565 HydrophobicContact CG1-CZ2 3.9Å; I546-W565 HydrophobicContact CG1-CZ3 3.73Å; I546-W565 HydrophobicContact CG2-CE3 4.04Å; I546-W565 HydrophobicContact CG2-CZ3 4.04Å; I546-I566 HydrophobicContact CG2-CD1 3.98Å; I546-L584 HydrophobicContact CB-CD1 4.35Å; I546-L584 HydrophobicContact CG2-CD1 4.12Å
547Y85.6Confident78.2Confident45 Ų4541.1 Ų41.118%0.17621%0.213CC..Hα-helixtrans-57.3-48.9172168.9-104.3000112.3I543 C545 L550 R551 Q580 P583 A587I543-Y547 VanDerWaalsContact O-CB 3.28Å; I543-Y547 WeakPolarHBondContact O-CB 3.22Å; I543-Y547 PolarHBondContact O-N 3.38Å; C545-Y547 VanDerWaalsContact C-N 3.35Å; C545-Y547 PolarHBondContact O-N 3.32Å; Y547-L550 PolarHBondContact O-N 2.89Å; Y547-R551 WeakPolarHBondContact O-CB 3.34Å; Y547-R551 PolarHBondContact O-N 3.21Å; Y547-Q580 VanDerWaalsContact CD1-NE2 3.34Å; Y547-Q580 HydrophobicContact CG-CG 4.27Å; Y547-Q580 VanDerWaalsContact CG-NE2 3.35Å; Y547-P583 HydrophobicContact CD2-CB 4.17Å; Y547-P583 WeakPolarHBondContact CD2-O 3.45Å; Y547-P583 HydrophobicContact CE2-CB 3.59Å; Y547-P583 WeakPolarHBondContact CE2-O 3.44Å; Y547-A587 HydrophobicContact CD2-CB 4.17Å; Y547-A587 HydrophobicContact CE2-CB 4.18Å
548Q82.5Confident78.6Confident59 Ų5940.9 Ų40.928%0.27621%0.211SC..Hα-helixtrans-70.4-35-177.8-17466.36.200112.3H544 C545 R551 S552H544-Q548 WeakPolarHBondContact O-CB 3.32Å; H544-Q548 PolarHBondContact O-N 2.96Å; C545-Q548 PolarHBondContact O-N 3Å; Q548-R551 PolarHBondContact O-N 2.7Å; Q548-S552 PolarHBondContact O-N 3.28Å; Q548-S552 PolarHBondContact O-OG 2.9Å
549L83.6Confident79.4Confident13 Ų1341.6 Ų41.67%0.06820%0.202CC..Hα-helixtrans-70.2-32.7174.2-70.3172.7000112.8M474 V520 T521 A524 C545 I546 S552 R553 A554 F555M474-L549 HydrophobicContact SD-CD1 4.38Å; V520-L549 HydrophobicContact CG1-CD1 4.41Å; T521-L549 HydrophobicContact CG2-CD2 4.11Å; A524-L549 HydrophobicContact CB-CD1 3.82Å; C545-L549 WeakPolarHBondContact O-CB 3.43Å; C545-L549 WeakPolarHBondContact O-CG 3.35Å; C545-L549 PolarHBondContact O-N 3.08Å; I546-L549 PolarHBondContact O-N 2.94Å; L549-S552 PolarHBondContact O-OG 3.04Å; L549-R553 PolarHBondContact O-N 3.48Å; L549-A554 HydrophobicContact CB-CB 4.47Å; L549-A554 HydrophobicContact CD2-CB 4.05Å; L549-A554 WeakPolarHBondContact O-CB 3.48Å; L549-A554 PolarHBondContact O-N 3.01Å; L549-F555 HydrophobicContact CB-CD2 4.02Å; L549-F555 HydrophobicContact CB-CE2 3.38Å; L549-F555 HydrophobicContact CB-CZ 3.82Å; L549-F555 HydrophobicContact CD1-CE2 4.33Å; L549-F555 HydrophobicContact CD1-CZ 3.89Å
550L84.6Confident80.2Confident1 Ų140.3 Ų40.31%0.00518%0.183CC..Hα-helixtrans-66.5-45.2167.1-80.3167.5000110.8I546 Y547 S552 R553 F555 I562 I566 L584 A587 Y588I546-L550 HydrophobicContact CG2-CD1 4.11Å; I546-L550 WeakPolarHBondContact O-CB 3.27Å; I546-L550 WeakPolarHBondContact O-CG 3.49Å; I546-L550 PolarHBondContact O-N 3.39Å; Y547-L550 PolarHBondContact O-N 2.89Å; L550-S552 PolarHBondContact O-N 2.88Å; L550-R553 WeakPolarHBondContact O-CA 3.36Å; L550-R553 PolarHBondContact O-N 3.43Å; L550-F555 HydrophobicContact CD2-CD2 3.98Å; L550-F555 HydrophobicContact CG-CD2 3.94Å; L550-F555 HydrophobicContact CG-CE2 4.13Å; L550-I562 HydrophobicContact CD2-CG2 4.14Å; L550-I566 HydrophobicContact CD1-CD1 4.21Å; L550-L584 HydrophobicContact CD1-CD1 3.91Å; L550-A587 HydrophobicContact CB-CB 4.1Å; L550-Y588 HydrophobicContact CD2-CD2 4.46Å
551R84.8Confident81.1Confident161 Ų16142.1 Ų42.161%0.60820%0.2SC*.Hα-helixtrans-63.2-37.9179.7-172.9-179.5178.6-173.42.2113Y547 Q548 R553Y547-R551 WeakPolarHBondContact O-CB 3.34Å; Y547-R551 PolarHBondContact O-N 3.21Å; Q548-R551 PolarHBondContact O-N 2.7Å; R551-R553 PolarHBondContact O-N 2.91Å
552S80.7Confident81.7Confident45 Ų4541.4 Ų41.432%0.31520%0.196SC..THydrogen-bonded Turntrans-77.80.6172.567.40000113.8Q548 L549 L550 A554 K557Q548-S552 PolarHBondContact O-N 3.28Å; Q548-S552 PolarHBondContact O-OG 2.9Å; L549-S552 PolarHBondContact O-OG 3.04Å; L550-S552 PolarHBondContact O-N 2.88Å; S552-A554 PolarHBondContact O-N 3.39Å; S552-A554 WeakPolarHBondContact OG-CB 3.36Å; S552-K557 VanDerWaalsContact O-CE 3.28Å; S552-K557 WeakPolarHBondContact O-CE 3.29Å; S552-K557 PolarHBondContact O-NZ 2.96Å
553R83.4Confident82.3Confident60 Ų6040.8 Ų40.823%0.22619%0.191CC..THydrogen-bonded Turntrans58.721.8-175.6-54.2-62-169130.4-5.2113.9L549 L550 R551 F555 T556 K557 N590 T594 A596L549-R553 PolarHBondContact O-N 3.48Å; L550-R553 WeakPolarHBondContact O-CA 3.36Å; L550-R553 PolarHBondContact O-N 3.43Å; R551-R553 PolarHBondContact O-N 2.91Å; R553-F555 PolarHBondContact O-N 2.84Å; R553-T556 VanDerWaalsContact O-CB 3.31Å; R553-T556 WeakPolarHBondContact O-CB 3.39Å; R553-T556 PolarHBondContact O-N 3.23Å; R553-T556 VanDerWaalsContact O-N 3.1Å; R553-K557 WeakPolarHBondContact O-CG 3.41Å; R553-K557 PolarHBondContact O-N 3.4Å; R553-N590 PolarHBondContact NH1-O 3.42Å; R553-N590 PolarHBondContact NH2-O 3.32Å; R553-T594 PolarHBondContact NH1-O 3.19Å; R553-T594 PolarHBondContact NH2-OG1 2.69Å; R553-A596 HydrophobicContact CB-CB 3.88Å; R553-A596 HydrophobicContact CG-CB 4.5Å
554A80.6Confident82.6Confident0 Ų044.1 Ų44.10%021%0.209CC..Hα-helixtrans-62.5-46.5-170.700000112.8E517 T521 L549 S552 T556 K557 H558E517-A554 HydrophobicContact CG-CB 4.05Å; E517-A554 WeakPolarHBondContact OE1-CB 3.32Å; T521-A554 HydrophobicContact CG2-CB 3.36Å; L549-A554 HydrophobicContact CB-CB 4.47Å; L549-A554 HydrophobicContact CD2-CB 4.05Å; L549-A554 WeakPolarHBondContact O-CB 3.48Å; L549-A554 PolarHBondContact O-N 3.01Å; S552-A554 PolarHBondContact O-N 3.39Å; S552-A554 WeakPolarHBondContact OG-CB 3.36Å; A554-T556 PolarHBondContact O-N 2.95Å; A554-K557 PolarHBondContact O-N 2.96Å; A554-H558 PolarHBondContact O-CD2 3.18Å; A554-H558 VanDerWaalsContact O-CD2 3.25Å; A554-H558 PolarHBondContact O-N 3.5Å; A554-H558 VanDerWaalsContact O-N 3.08Å
555F81.9Confident83.1Confident0 Ų042.7 Ų42.70%020%0.202CC..Hα-helixtrans-54.1-40.7173.9-65.6-65.8000112T521 A524 V525 I546 L549 L550 R553 K559 V560 I562T521-F555 HydrophobicContact CG2-CD1 4.25Å; T521-F555 HydrophobicContact CG2-CE1 4.39Å; A524-F555 HydrophobicContact CB-CE1 4.05Å; A524-F555 HydrophobicContact CB-CZ 4.05Å; V525-F555 HydrophobicContact CG2-CE1 4.25Å; I546-F555 HydrophobicContact CD1-CZ 3.86Å; I546-F555 HydrophobicContact CG2-CE2 4.08Å; I546-F555 HydrophobicContact CG2-CZ 4.34Å; L549-F555 HydrophobicContact CB-CD2 4.02Å; L549-F555 HydrophobicContact CB-CE2 3.38Å; L549-F555 HydrophobicContact CB-CZ 3.82Å; L549-F555 HydrophobicContact CD1-CE2 4.33Å; L549-F555 HydrophobicContact CD1-CZ 3.89Å; L550-F555 HydrophobicContact CD2-CD2 3.98Å; L550-F555 HydrophobicContact CG-CD2 3.94Å; L550-F555 HydrophobicContact CG-CE2 4.13Å; R553-F555 PolarHBondContact O-N 2.84Å; F555-K559 PolarHBondContact O-N 3.44Å; F555-V560 HydrophobicContact CD1-CB 4.11Å; F555-V560 HydrophobicContact CD1-CG1 3.95Å; F555-V560 HydrophobicContact CE1-CG1 4.46Å; F555-V560 PolarHBondContact O-N 3.4Å; F555-I562 HydrophobicContact CD1-CB 4.18Å; F555-I562 HydrophobicContact CD2-CB 4.4Å; F555-I562 HydrophobicContact CD2-CG1 4.41Å; F555-I562 HydrophobicContact CD2-CG2 4.38Å; F555-I562 HydrophobicContact CE1-CB 4.34Å; F555-I562 HydrophobicContact CE1-CD1 3.9Å; F555-I562 HydrophobicContact CE1-CG1 4.23Å; F555-I562 HydrophobicContact CE2-CD1 4.34Å; F555-I562 HydrophobicContact CE2-CG1 4.07Å; F555-I562 HydrophobicContact CG-CB 4.23Å; F555-I562 HydrophobicContact CG-CG2 4.37Å; F555-I562 HydrophobicContact CZ-CD1 3.77Å; F555-I562 HydrophobicContact CZ-CG1 4Å
556T79.5Confident83.9Confident2 Ų242.5 Ų42.51%0.01220%0.201CC..Hα-helixtrans-71-42.3179.9-36.70000112.2R553 A554 H558 K559 S591 A596 A603R553-T556 VanDerWaalsContact O-CB 3.31Å; R553-T556 WeakPolarHBondContact O-CB 3.39Å; R553-T556 PolarHBondContact O-N 3.23Å; R553-T556 VanDerWaalsContact O-N 3.1Å; A554-T556 PolarHBondContact O-N 2.95Å; T556-H558 VanDerWaalsContact C-N 3.33Å; T556-H558 PolarHBondContact O-N 3.38Å; T556-K559 PolarHBondContact O-N 3.07Å; T556-S591 PolarHBondContact OG1-OG 3.04Å; T556-A596 HydrophobicContact CG2-CB 3.59Å; T556-A603 WeakPolarHBondContact CG2-O 3.32Å
557K80.6Confident84.1Confident105 Ų10543.7 Ų43.746%0.45721%0.205SC..Hα-helixtrans-56.9-45.6174.1-64.9171.6-166.4166.20111.5E517 S552 R553 A554E517-K557 IonicContact OE1-NZ 3.45Å; E517-K557 PolarHBondContact OE1-NZ 2.79Å; E517-K557 IonicContact OE2-NZ 3.65Å; E517-K557 PolarHBondContact OE2-NZ 3.07Å; S552-K557 VanDerWaalsContact O-CE 3.28Å; S552-K557 WeakPolarHBondContact O-CE 3.29Å; S552-K557 PolarHBondContact O-NZ 2.96Å; R553-K557 WeakPolarHBondContact O-CG 3.41Å; R553-K557 PolarHBondContact O-N 3.4Å; A554-K557 PolarHBondContact O-N 2.96Å
558H79.9Confident84.2Confident58 Ų5847 Ų4727%0.26922%0.218SC..THydrogen-bonded Turntrans-95.86.5-172.7-60.1-65000114.1A554 T556 V560A554-H558 PolarHBondContact O-CD2 3.18Å; A554-H558 VanDerWaalsContact O-CD2 3.25Å; A554-H558 PolarHBondContact O-N 3.5Å; A554-H558 VanDerWaalsContact O-N 3.08Å; T556-H558 VanDerWaalsContact C-N 3.33Å; T556-H558 PolarHBondContact O-N 3.38Å; H558-V560 VanDerWaalsContact C-N 3.34Å; H558-V560 HydrophobicContact CB-CG2 4.16Å; H558-V560 PolarHBondContact O-N 3.35Å
559K78.3Confident84.6Confident153 Ų15344.2 Ų44.267%0.66521%0.205SC*.THydrogen-bonded Turntrans55.439.1-179.9-58.5-174.1177.4-174.10114.4F555 T556 A603F555-K559 PolarHBondContact O-N 3.44Å; T556-K559 PolarHBondContact O-N 3.07Å; K559-A603 HydrophobicContact CG-CB 4.43Å
560V82.2Confident84.9Confident28 Ų2843.7 Ų43.717%0.1720%0.202CC..  trans-97125.5-178.31760000111.3V525 F555 H558 I562V525-V560 HydrophobicContact CG2-CG1 3.4Å; F555-V560 HydrophobicContact CD1-CB 4.11Å; F555-V560 HydrophobicContact CD1-CG1 3.95Å; F555-V560 HydrophobicContact CE1-CG1 4.46Å; F555-V560 PolarHBondContact O-N 3.4Å; H558-V560 VanDerWaalsContact C-N 3.34Å; H558-V560 HydrophobicContact CB-CG2 4.16Å; H558-V560 PolarHBondContact O-N 3.35Å; V560-I562 PolarHBondContact O-N 3.06Å
561S81.5Confident85.1Confident73 Ų7344.7 Ų44.751%0.5121%0.209SC..  trans-82.1101.7-176.253.30000113.2
562I88.6Confident85.1Confident0 Ų040.7 Ų40.70%020%0.197CC..  trans-90.8-8.7-179.9-166.959.6000114.7V525 I546 L550 F555 V560 D564 W565 I566 Y588 N605V525-I562 HydrophobicContact CG2-CD1 3.92Å; I546-I562 HydrophobicContact CD1-CD1 4.07Å; I546-I562 HydrophobicContact CG2-CD1 3.97Å; I546-I562 HydrophobicContact CG2-CG1 3.82Å; L550-I562 HydrophobicContact CD2-CG2 4.14Å; F555-I562 HydrophobicContact CD1-CB 4.18Å; F555-I562 HydrophobicContact CD2-CB 4.4Å; F555-I562 HydrophobicContact CD2-CG1 4.41Å; F555-I562 HydrophobicContact CD2-CG2 4.38Å; F555-I562 HydrophobicContact CE1-CB 4.34Å; F555-I562 HydrophobicContact CE1-CD1 3.9Å; F555-I562 HydrophobicContact CE1-CG1 4.23Å; F555-I562 HydrophobicContact CE2-CD1 4.34Å; F555-I562 HydrophobicContact CE2-CG1 4.07Å; F555-I562 HydrophobicContact CG-CB 4.23Å; F555-I562 HydrophobicContact CG-CG2 4.37Å; F555-I562 HydrophobicContact CZ-CD1 3.77Å; F555-I562 HydrophobicContact CZ-CG1 4Å; V560-I562 PolarHBondContact O-N 3.06Å; I562-D564 PolarHBondContact O-N 2.99Å; I562-W565 HydrophobicContact CD1-CB 3.72Å; I562-W565 HydrophobicContact CD1-CD2 4.42Å; I562-W565 HydrophobicContact CD1-CG 4.06Å; I562-W565 HydrophobicContact CG1-CB 4.46Å; I562-W565 WeakPolarHBondContact O-CB 3.15Å; I562-W565 PolarHBondContact O-N 2.71Å; I562-W565 VanDerWaalsContact O-N 3.1Å; I562-I566 HydrophobicContact CG1-CG1 4.23Å; I562-I566 PolarHBondContact O-N 3.13Å; I562-Y588 HydrophobicContact CG2-CD2 4.42Å; I562-Y588 HydrophobicContact CG2-CE2 4.4Å; I562-N605 WeakPolarHBondContact CG2-ND2 3.34Å
563K89.7Confident85.4Confident17 Ų1738.6 Ų38.67%0.07418%0.182CC..Hα-helixtrans-42.9-55.5-176.7169.6-174.5161.5-820113.2W565 I566 Y567 Q606 P607 E612K563-W565 PolarHBondContact O-N 2.94Å; K563-I566 PolarHBondContact O-N 3.14Å; K563-I566 VanDerWaalsContact O-N 3.15Å; K563-Y567 PolarHBondContact O-N 2.81Å; K563-Q606 HydrophobicContact CD-CB 4.22Å; K563-P607 WeakPolarHBondContact CD-O 3.35Å; K563-E612 WeakPolarHBondContact CE-OE2 3.43Å; K563-E612 VanDerWaalsContact NZ-CD 3.34Å; K563-E612 IonicContact NZ-OE1 3.24Å; K563-E612 PolarHBondContact NZ-OE1 3.04Å; K563-E612 IonicContact NZ-OE2 2.98Å; K563-E612 PolarHBondContact NZ-OE2 3.1Å
564D87.5Confident85.5Confident70 Ų7038.1 Ų38.137%0.37419%0.186SC..Hα-helixtrans-73.1-21.7-169.4-49.8-33.6000112.3I562 R568I562-D564 PolarHBondContact O-N 2.99Å; D564-R568 WeakPolarHBondContact O-CB 3.13Å; D564-R568 WeakPolarHBondContact O-CG 3.44Å; D564-R568 PolarHBondContact O-N 3.3Å; D564-R568 PolarHBondContact O-NE 2.96Å
565W89.9Confident85.5Confident0 Ų040.4 Ų40.40%020%0.2CC..Hα-helixtrans-72.9-46.1170.8-170.499.1000110.4V527 V529 P542 I546 I562 K563 R568 Q569V527-W565 VanDerWaalsContact O-CD1 3.29Å; V527-W565 PolarHBondContact O-NE1 3.23Å; V529-W565 HydrophobicContact CG1-CD2 4.19Å; V529-W565 HydrophobicContact CG1-CG 4.28Å; V529-W565 HydrophobicContact CG1-CZ2 4.3Å; P542-W565 HydrophobicContact CB-CZ2 3.96Å; I546-W565 HydrophobicContact CB-CE3 4.38Å; I546-W565 HydrophobicContact CB-CH2 4.32Å; I546-W565 HydrophobicContact CB-CZ3 4Å; I546-W565 HydrophobicContact CG1-CD2 4.15Å; I546-W565 HydrophobicContact CG1-CE3 3.94Å; I546-W565 HydrophobicContact CG1-CH2 3.72Å; I546-W565 HydrophobicContact CG1-CZ2 3.9Å; I546-W565 HydrophobicContact CG1-CZ3 3.73Å; I546-W565 HydrophobicContact CG2-CE3 4.04Å; I546-W565 HydrophobicContact CG2-CZ3 4.04Å; I562-W565 HydrophobicContact CD1-CB 3.72Å; I562-W565 HydrophobicContact CD1-CD2 4.42Å; I562-W565 HydrophobicContact CD1-CG 4.06Å; I562-W565 HydrophobicContact CG1-CB 4.46Å; I562-W565 WeakPolarHBondContact O-CB 3.15Å; I562-W565 PolarHBondContact O-N 2.71Å; I562-W565 VanDerWaalsContact O-N 3.1Å; K563-W565 PolarHBondContact O-N 2.94Å; W565-R568 PolarHBondContact O-N 3.11Å; W565-Q569 HydrophobicContact CE3-CB 4.08Å; W565-Q569 HydrophobicContact CH2-CB 4.01Å; W565-Q569 HydrophobicContact CH2-CG 3.79Å; W565-Q569 HydrophobicContact CZ3-CB 3.76Å; W565-Q569 HydrophobicContact CZ3-CG 3.86Å; W565-Q569 WeakPolarHBondContact O-CB 3.5Å; W565-Q569 PolarHBondContact O-N 2.71Å
566I90.8Very high85.6Confident0 Ų042 Ų420%021%0.21CC..Hα-helixtrans-59.2-50.1176.4-60.4-69.4000110.3I546 L550 I562 K563 R568 Q569 L570 L584 Y588I546-I566 HydrophobicContact CG2-CD1 3.98Å; L550-I566 HydrophobicContact CD1-CD1 4.21Å; I562-I566 HydrophobicContact CG1-CG1 4.23Å; I562-I566 PolarHBondContact O-N 3.13Å; K563-I566 PolarHBondContact O-N 3.14Å; K563-I566 VanDerWaalsContact O-N 3.15Å; I566-R568 PolarHBondContact O-N 3.21Å; I566-Q569 PolarHBondContact O-N 3Å; I566-L570 HydrophobicContact CG2-CD1 4.14Å; I566-L570 HydrophobicContact CG2-CG 4.37Å; I566-L570 WeakPolarHBondContact O-CG 3.5Å; I566-L570 PolarHBondContact O-N 3.41Å; I566-L584 HydrophobicContact CD1-CD1 4.02Å; I566-L584 HydrophobicContact CD1-CD2 3.83Å; I566-L584 HydrophobicContact CD1-CG 3.97Å; I566-Y588 HydrophobicContact CG1-CD2 4.38Å; I566-Y588 HydrophobicContact CG1-CG 4.38Å; I566-Y588 HydrophobicContact CG2-CD1 3.98Å; I566-Y588 HydrophobicContact CG2-CE1 4.11Å
567Y90.5Very high85.9Confident27 Ų2743 Ų4311%0.10622%0.215CC..Hα-helixtrans-59.1-46.4179.5177.5-102.2000112.3K563 Q569 L570 C571 I608 E612 V616 I642K563-Y567 PolarHBondContact O-N 2.81Å; Y567-Q569 PolarHBondContact O-N 2.79Å; Y567-L570 PolarHBondContact O-N 2.65Å; Y567-C571 PolarHBondContact O-N 2.93Å; Y567-C571 VanDerWaalsContact O-N 3.12Å; Y567-C571 PolarHBondContact O-SG 3.14Å; Y567-I608 HydrophobicContact CD2-CD1 4.4Å; Y567-I608 HydrophobicContact CD2-CG2 3.95Å; Y567-I608 HydrophobicContact CE2-CG2 4.41Å; Y567-E612 HydrophobicContact CD2-CB 4.36Å; Y567-E612 HydrophobicContact CE2-CB 3.84Å; Y567-E612 PolarHBondContact OH-O 3.21Å; Y567-V616 HydrophobicContact CE2-CG2 4.22Å; Y567-I642 HydrophobicContact CD2-CD1 4.3Å; Y567-I642 HydrophobicContact CE2-CD1 4.01Å
568R88Confident86.2Confident116 Ų11638.6 Ų38.644%0.43820%0.196SC..Hα-helixtrans-61.4-43.2174.3-79.5177.3-76.1152.7-5.8112.2V529 D564 W565 I566 L570 C571 E572V529-R568 HydrophobicContact CG1-CB 3.84Å; V529-R568 HydrophobicContact CG2-CB 4.42Å; D564-R568 WeakPolarHBondContact O-CB 3.13Å; D564-R568 WeakPolarHBondContact O-CG 3.44Å; D564-R568 PolarHBondContact O-N 3.3Å; D564-R568 PolarHBondContact O-NE 2.96Å; W565-R568 PolarHBondContact O-N 3.11Å; I566-R568 PolarHBondContact O-N 3.21Å; R568-L570 VanDerWaalsContact C-N 3.34Å; R568-L570 PolarHBondContact O-N 3.06Å; R568-C571 WeakPolarHBondContact O-CB 3.36Å; R568-C571 PolarHBondContact O-N 2.99Å; R568-E572 PolarHBondContact O-N 3.38Å; R568-E572 VanDerWaalsContact O-N 3.15Å
569Q89.9Confident86.5Confident0 Ų041.4 Ų41.40%022%0.218CC..Hα-helixtrans-65.4-37.4-179.9-176.860.392.400111.8V529 T530 L533 W565 I566 Y567 C571 E572 T573V529-Q569 HydrophobicContact CB-CB 4.28Å; V529-Q569 HydrophobicContact CG1-CB 3.93Å; T530-Q569 PolarHBondContact O-NE2 3.43Å; L533-Q569 HydrophobicContact CD2-CG 4.27Å; W565-Q569 HydrophobicContact CE3-CB 4.08Å; W565-Q569 HydrophobicContact CH2-CB 4.01Å; W565-Q569 HydrophobicContact CH2-CG 3.79Å; W565-Q569 HydrophobicContact CZ3-CB 3.76Å; W565-Q569 HydrophobicContact CZ3-CG 3.86Å; W565-Q569 WeakPolarHBondContact O-CB 3.5Å; W565-Q569 PolarHBondContact O-N 2.71Å; I566-Q569 PolarHBondContact O-N 3Å; Y567-Q569 PolarHBondContact O-N 2.79Å; Q569-C571 VanDerWaalsContact C-N 3.35Å; Q569-E572 PolarHBondContact O-N 2.96Å; Q569-T573 WeakPolarHBondContact O-CG2 3.42Å
570L89.6Confident86.9Confident1 Ų135.7 Ų35.71%0.00519%0.193CC..Hα-helixtrans-67-34.8174.8-65.3179.9000112.2I566 Y567 R568 E572 T573 L581 I585 T638 L641 I642I566-L570 HydrophobicContact CG2-CD1 4.14Å; I566-L570 HydrophobicContact CG2-CG 4.37Å; I566-L570 WeakPolarHBondContact O-CG 3.5Å; I566-L570 PolarHBondContact O-N 3.41Å; Y567-L570 PolarHBondContact O-N 2.65Å; R568-L570 VanDerWaalsContact C-N 3.34Å; R568-L570 PolarHBondContact O-N 3.06Å; L570-E572 VanDerWaalsContact C-N 3.3Å; L570-E572 PolarHBondContact O-N 3.01Å; L570-T573 PolarHBondContact O-N 2.84Å; L570-T573 PolarHBondContact O-OG1 3.49Å; L570-L581 HydrophobicContact CD2-CD2 4.01Å; L570-I585 HydrophobicContact CD1-CD1 4.45Å; L570-I585 HydrophobicContact CD2-CD1 4.02Å; L570-I585 HydrophobicContact CD2-CG1 4.33Å; L570-T638 PolarHBondContact O-OG1 3.07Å; L570-L641 HydrophobicContact CD2-CB 4.23Å; L570-L641 HydrophobicContact CD2-CD1 4.23Å; L570-I642 HydrophobicContact CD1-CG1 4.45Å
571C88.1Confident87.3Confident23 Ų2334.3 Ų34.316%0.15519%0.185CC..Hα-helixtrans-65.5-30.8173.7-64.20000113.4Y567 R568 Q569 Y634 T638Y567-C571 PolarHBondContact O-N 2.93Å; Y567-C571 VanDerWaalsContact O-N 3.12Å; Y567-C571 PolarHBondContact O-SG 3.14Å; R568-C571 WeakPolarHBondContact O-CB 3.36Å; R568-C571 PolarHBondContact O-N 2.99Å; Q569-C571 VanDerWaalsContact C-N 3.35Å; C571-Y634 HydrophobicContact CB-CD1 4.22Å; C571-Y634 HydrophobicContact CB-CE1 3.98Å; C571-T638 HydrophobicContact CB-CG2 4.43Å; C571-T638 PolarHBondContact O-OG1 3.48Å
572E86.1Confident87.8Confident77 Ų7732.5 Ų32.536%0.3617%0.169SC..THydrogen-bonded Turntrans-91.316.7-179.1-73.1-61.7145.200113.9V529 S532 L533 R568 Q569 L570V529-E572 HydrophobicContact CG2-CG 4.05Å; S532-E572 CarbonylContact C-O 3.6Å; S532-E572 WeakPolarHBondContact CA-O 3.38Å; S532-E572 PolarHBondContact N-O 3.04Å; S532-E572 PolarHBondContact N-OE2 3.39Å; L533-E572 PolarHBondContact N-O 2.91Å; R568-E572 PolarHBondContact O-N 3.38Å; R568-E572 VanDerWaalsContact O-N 3.15Å; Q569-E572 PolarHBondContact O-N 2.96Å; L570-E572 VanDerWaalsContact C-N 3.3Å; L570-E572 PolarHBondContact O-N 3.01Å
573T87.1Confident88Confident1 Ų134.5 Ų34.51%0.00618%0.182CC..BIsolated β-bridgetrans-93.8133.9179.254.40000113.6L533 Q569 L570 L581 T637 L641L533-T573 HydrophobicContact CB-CG2 4.17Å; L533-T573 HydrophobicContact CD2-CG2 4.15Å; L533-T573 HydrophobicContact CG-CG2 4.4Å; Q569-T573 WeakPolarHBondContact O-CG2 3.42Å; L570-T573 PolarHBondContact O-N 2.84Å; L570-T573 PolarHBondContact O-OG1 3.49Å; T573-L581 HydrophobicContact CG2-CD1 3.7Å; T573-L581 HydrophobicContact CG2-CD2 3.75Å; T573-L581 HydrophobicContact CG2-CG 4.4Å; T573-T637 PolarHBondContact O-OG1 3.38Å; T573-L641 HydrophobicContact CG2-CD1 4.17Å; T573-L641 WeakPolarHBondContact OG1-CD1 3.35Å
574T85.7Confident88.1Confident50 Ų5033.7 Ų33.731%0.30718%0.179SC..  trans-117.2170.3177.2500000110.8S532 L533S532-T574 PolarHBondContact O-OG1 3.1Å; S532-T574 VanDerWaalsContact O-OG1 3.1Å; L533-T574 PolarHBondContact O-N 3.5Å; L533-T574 PolarHBondContact O-OG1 3.36Å
575T81Confident88.4Confident48 Ų4830.4 Ų30.429%0.29416%0.161SC..SBendtrans-81.1155.7169.553.30000111.6T637 E693 L694T575-T637 HydrophobicContact CG2-CG2 3.43Å; T575-T637 VanDerWaalsContact CG2-CG2 3.43Å; T575-E693 WeakPolarHBondContact CB-OE2 3.26Å; T575-E693 HydrophobicContact CG2-CB 4.02Å; T575-E693 WeakPolarHBondContact CG2-OE2 3.31Å; T575-E693 PolarHBondContact OG1-OE2 2.93Å; T575-L694 HydrophobicContact CG2-CD2 3.7Å; T575-L694 HydrophobicContact CG2-CG 4.35Å
576P83.5Confident88.5Confident32 Ų3232.7 Ų32.721%0.20817%0.174CC..SBendcis-69.5149.5-12.429.5-35.7000112.4S534 A535 H578 E693S534-P576 CarbonylContact C-O 3.57Å; S534-P576 VanDerWaalsContact CA-O 3.26Å; S534-P576 WeakPolarHBondContact CA-O 3.43Å; S534-P576 WeakPolarHBondContact CB-O 3.42Å; A535-P576 HydrophobicContact CB-CB 4.41Å; A535-P576 HydrophobicContact CB-CG 4.07Å; A535-P576 PolarHBondContact N-O 2.83Å; P576-H578 PolarHBondContact O-N 2.87Å; P576-E693 HydrophobicContact CB-CB 4.33Å; P576-E693 HydrophobicContact CB-CG 4.47Å
577I86.3Confident88.4Confident24 Ų2433.5 Ų33.512%0.12318%0.18CC..PPolyproline II helixtrans-66.1126.5-173.7-81.9-177.2000112.5T579 L581 L641 E693 L694 L697I577-T579 PolarHBondContact O-N 3.18Å; I577-L581 HydrophobicContact CG2-CD1 4.09Å; I577-L641 HydrophobicContact CD1-CD2 4.32Å; I577-L641 HydrophobicContact CD1-CG 4.44Å; I577-E693 PolarHBondContact N-O 3.45Å; I577-E693 VanDerWaalsContact N-O 3.14Å; I577-L694 HydrophobicContact CD1-CD2 3.43Å; I577-L694 VanDerWaalsContact CD1-CD2 3.43Å; I577-L694 HydrophobicContact CG1-CD2 3.7Å; I577-L697 HydrophobicContact CD1-CB 4.01Å; I577-L697 HydrophobicContact CD1-CD2 3.43Å; I577-L697 VanDerWaalsContact CD1-CD2 3.43Å; I577-L697 HydrophobicContact CD1-CG 4.33Å
578H86.3Confident88.4Confident13 Ų1332.2 Ų32.26%0.0618%0.175CC..PPolyproline II helixtrans-65.1126.6174.8-175.5-92.6000111.8L533 H544 P576 Q580 L581L533-H578 HydrophobicContact CD1-CB 4.07Å; L533-H578 HydrophobicContact CD2-CB 4.48Å; L533-H578 HydrophobicContact CG-CB 4.05Å; H544-H578 AromaticContact CE1-CE1 3.62Å; H544-H578 AromaticContact NE2-CE1 3.34Å; H544-H578 PolarHBondContact NE2-CE1 3.35Å; H544-H578 VanDerWaalsContact NE2-CE1 3.34Å; H544-H578 AromaticContact NE2-NE2 3.57Å; P576-H578 PolarHBondContact O-N 2.87Å; H578-Q580 PolarHBondContact ND1-N 3.29Å; H578-Q580 PolarHBondContact O-N 3.47Å; H578-L581 HydrophobicContact CB-CD1 3.9Å; H578-L581 HydrophobicContact CB-CG 4.35Å; H578-L581 WeakPolarHBondContact O-CB 3.49Å; H578-L581 WeakPolarHBondContact O-CG 3.47Å; H578-L581 PolarHBondContact O-N 3.34Å
579T86.3Confident88.5Confident117 Ų11726.7 Ų26.772%0.71815%0.154SC*.THydrogen-bonded Turntrans-56.1-29.9-168.656.20000114.9I577 L581 P583I577-T579 PolarHBondContact O-N 3.18Å; T579-L581 VanDerWaalsContact C-N 3.29Å; T579-L581 PolarHBondContact O-N 3.06Å; T579-P583 WeakPolarHBondContact O-CD 3.41Å
580Q86.6Confident88.4Confident32 Ų3229.4 Ų29.415%0.1517%0.168CC..THydrogen-bonded Turntrans-74-13.3-178.9-161.262.578.800114.2I543 H544 Y547 H578 L584I543-Q580 HydrophobicContact CD1-CB 4.3Å; I543-Q580 HydrophobicContact CG1-CB 4.42Å; I543-Q580 HydrophobicContact CG1-CG 4.31Å; I543-Q580 HydrophobicContact CG2-CB 4.44Å; H544-Q580 PolarHBondContact ND1-OE1 2.98Å; H544-Q580 VanDerWaalsContact ND1-OE1 3.09Å; Y547-Q580 VanDerWaalsContact CD1-NE2 3.34Å; Y547-Q580 HydrophobicContact CG-CG 4.27Å; Y547-Q580 VanDerWaalsContact CG-NE2 3.35Å; H578-Q580 PolarHBondContact ND1-N 3.29Å; H578-Q580 PolarHBondContact O-N 3.47Å; Q580-L584 WeakPolarHBondContact O-CB 3.38Å; Q580-L584 PolarHBondContact O-N 3.26Å
581L90.3Very high88.2Confident0 Ų029.3 Ų29.30%017%0.168CC..Hα-helixtrans-65.2-43.4-173.5-78.4161.1000113.7L533 I543 L570 T573 I577 H578 T579 L584 I585 L641L533-L581 HydrophobicContact CD2-CD1 4.44Å; L533-L581 HydrophobicContact CD2-CD2 4.15Å; L533-L581 HydrophobicContact CD2-CG 4.42Å; I543-L581 HydrophobicContact CD1-CD2 3.53Å; I543-L581 HydrophobicContact CD1-CG 3.74Å; L570-L581 HydrophobicContact CD2-CD2 4.01Å; T573-L581 HydrophobicContact CG2-CD1 3.7Å; T573-L581 HydrophobicContact CG2-CD2 3.75Å; T573-L581 HydrophobicContact CG2-CG 4.4Å; I577-L581 HydrophobicContact CG2-CD1 4.09Å; H578-L581 HydrophobicContact CB-CD1 3.9Å; H578-L581 HydrophobicContact CB-CG 4.35Å; H578-L581 WeakPolarHBondContact O-CB 3.49Å; H578-L581 WeakPolarHBondContact O-CG 3.47Å; H578-L581 PolarHBondContact O-N 3.34Å; T579-L581 VanDerWaalsContact C-N 3.29Å; T579-L581 PolarHBondContact O-N 3.06Å; L581-L584 WeakPolarHBondContact O-CB 3.41Å; L581-L584 PolarHBondContact O-N 3.49Å; L581-I585 WeakPolarHBondContact O-CG1 3.27Å; L581-I585 PolarHBondContact O-N 3.27Å; L581-I585 VanDerWaalsContact O-N 3.1Å; L581-L641 HydrophobicContact CB-CD2 4.44Å; L581-L641 HydrophobicContact CD1-CD1 4.43Å
582I91.9Very high88Confident34 Ų3428.9 Ų28.917%0.17416%0.164CC..Hα-helixtrans-65-53.3179.3-69.3168.4000110.5L584 I585 D586 Y644 L697I582-L584 PolarHBondContact O-N 2.71Å; I582-L584 VanDerWaalsContact O-N 3.16Å; I582-I585 PolarHBondContact O-N 2.71Å; I582-D586 PolarHBondContact O-N 3.37Å; I582-Y644 HydrophobicContact CB-CE1 4.47Å; I582-Y644 HydrophobicContact CG1-CE1 4.37Å; I582-Y644 HydrophobicContact CG2-CE1 3.95Å; I582-Y644 WeakPolarHBondContact CG2-OH 3.36Å; I582-L697 HydrophobicContact CD1-CB 4.17Å; I582-L697 HydrophobicContact CD1-CD1 4.13Å; I582-L697 HydrophobicContact CG1-CD1 4.13Å
583P92.6Very high87.7Confident43 Ų4325.4 Ų25.428%0.27915%0.148SC..Hα-helixtrans-61-25.7174.9-24.433.6000115.1Y547 T579 A587Y547-P583 HydrophobicContact CD2-CB 4.17Å; Y547-P583 WeakPolarHBondContact CD2-O 3.45Å; Y547-P583 HydrophobicContact CE2-CB 3.59Å; Y547-P583 WeakPolarHBondContact CE2-O 3.44Å; T579-P583 WeakPolarHBondContact O-CD 3.41Å; P583-A587 VanDerWaalsContact O-CB 3.22Å; P583-A587 WeakPolarHBondContact O-CB 3.4Å; P583-A587 PolarHBondContact O-N 3.33Å
584L92.6Very high87.1Confident0 Ų027.3 Ų27.30%016%0.16CC..Hα-helixtrans-66-48.1172.3-179.281000111.1I543 I546 L550 I566 Q580 L581 I582 D586 A587 Y588I543-L584 HydrophobicContact CD1-CD2 4.02Å; I543-L584 HydrophobicContact CG1-CD1 4.42Å; I543-L584 HydrophobicContact CG1-CD2 3.9Å; I546-L584 HydrophobicContact CB-CD1 4.35Å; I546-L584 HydrophobicContact CG2-CD1 4.12Å; L550-L584 HydrophobicContact CD1-CD1 3.91Å; I566-L584 HydrophobicContact CD1-CD1 4.02Å; I566-L584 HydrophobicContact CD1-CD2 3.83Å; I566-L584 HydrophobicContact CD1-CG 3.97Å; Q580-L584 WeakPolarHBondContact O-CB 3.38Å; Q580-L584 PolarHBondContact O-N 3.26Å; L581-L584 WeakPolarHBondContact O-CB 3.41Å; L581-L584 PolarHBondContact O-N 3.49Å; I582-L584 PolarHBondContact O-N 2.71Å; I582-L584 VanDerWaalsContact O-N 3.16Å; L584-D586 VanDerWaalsContact C-N 3.35Å; L584-A587 PolarHBondContact O-N 2.79Å; L584-Y588 VanDerWaalsContact O-CB 3.32Å; L584-Y588 WeakPolarHBondContact O-CB 3.5Å; L584-Y588 PolarHBondContact O-N 3.45Å
585I93.2Very high86.3Confident0 Ų026 Ų260%015%0.152CC..Hα-helixtrans-60.7-46.3177.3-70.1169.5000109.8L570 L581 I582 A587 Y588 I589 L641 Y644 Y645L570-I585 HydrophobicContact CD1-CD1 4.45Å; L570-I585 HydrophobicContact CD2-CD1 4.02Å; L570-I585 HydrophobicContact CD2-CG1 4.33Å; L581-I585 WeakPolarHBondContact O-CG1 3.27Å; L581-I585 PolarHBondContact O-N 3.27Å; L581-I585 VanDerWaalsContact O-N 3.1Å; I582-I585 PolarHBondContact O-N 2.71Å; I585-A587 PolarHBondContact O-N 2.99Å; I585-Y588 PolarHBondContact O-N 3.41Å; I585-I589 HydrophobicContact CG2-CD1 3.74Å; I585-I589 HydrophobicContact CG2-CG1 4.46Å; I585-I589 WeakPolarHBondContact O-CG1 3.43Å; I585-I589 PolarHBondContact O-N 2.87Å; I585-L641 HydrophobicContact CD1-CB 4.44Å; I585-L641 HydrophobicContact CD1-CD2 3.93Å; I585-Y644 HydrophobicContact CB-CD1 4.39Å; I585-Y644 HydrophobicContact CB-CE1 4.23Å; I585-Y644 HydrophobicContact CD1-CD1 3.95Å; I585-Y644 HydrophobicContact CG2-CD1 3.88Å; I585-Y644 HydrophobicContact CG2-CE1 3.86Å; I585-Y645 HydrophobicContact CG2-CD2 4.15Å
586D91.6Very high85.5Confident49 Ų4925.6 Ų25.626%0.26215%0.154SC..Hα-helixtrans-61.3-45.3177.9-62.9-30.8000112.4I582 L584 Y588 I589 N590 Y644I582-D586 PolarHBondContact O-N 3.37Å; L584-D586 VanDerWaalsContact C-N 3.35Å; D586-Y588 VanDerWaalsContact C-N 3.31Å; D586-Y588 PolarHBondContact O-N 2.87Å; D586-I589 PolarHBondContact O-N 2.7Å; D586-N590 WeakPolarHBondContact O-CB 3.36Å; D586-N590 PolarHBondContact O-N 3.19Å; D586-N590 PolarHBondContact O-ND2 2.91Å; D586-Y644 PolarHBondContact OD1-OH 3.45Å; D586-Y644 VanDerWaalsContact OD1-OH 3.07Å
587A89.6Confident84.6Confident16 Ų1627.2 Ų27.213%0.13217%0.166CC..Hα-helixtrans-64.8-35177.100000112.2Y547 L550 P583 L584 I585 S591Y547-A587 HydrophobicContact CD2-CB 4.17Å; Y547-A587 HydrophobicContact CE2-CB 4.18Å; L550-A587 HydrophobicContact CB-CB 4.1Å; P583-A587 VanDerWaalsContact O-CB 3.22Å; P583-A587 WeakPolarHBondContact O-CB 3.4Å; P583-A587 PolarHBondContact O-N 3.33Å; L584-A587 PolarHBondContact O-N 2.79Å; I585-A587 PolarHBondContact O-N 2.99Å; A587-S591 WeakPolarHBondContact O-CB 3.46Å; A587-S591 PolarHBondContact O-N 2.95Å
588Y91.1Very high83.4Confident1 Ų135.4 Ų35.40%0.00420%0.2CC..Hα-helixtrans-70.3-45175.9175.1-126.1000112.3L550 I562 I566 L584 I585 D586 N590 S591 I592 N605 Q606 I608 Y645L550-Y588 HydrophobicContact CD2-CD2 4.46Å; I562-Y588 HydrophobicContact CG2-CD2 4.42Å; I562-Y588 HydrophobicContact CG2-CE2 4.4Å; I566-Y588 HydrophobicContact CG1-CD2 4.38Å; I566-Y588 HydrophobicContact CG1-CG 4.38Å; I566-Y588 HydrophobicContact CG2-CD1 3.98Å; I566-Y588 HydrophobicContact CG2-CE1 4.11Å; L584-Y588 VanDerWaalsContact O-CB 3.32Å; L584-Y588 WeakPolarHBondContact O-CB 3.5Å; L584-Y588 PolarHBondContact O-N 3.45Å; I585-Y588 PolarHBondContact O-N 3.41Å; D586-Y588 VanDerWaalsContact C-N 3.31Å; D586-Y588 PolarHBondContact O-N 2.87Å; Y588-N590 PolarHBondContact O-N 2.92Å; Y588-S591 CarbonylContact O-C 3.56Å; Y588-S591 WeakPolarHBondContact O-CA 3.22Å; Y588-S591 WeakPolarHBondContact O-CB 3.34Å; Y588-S591 PolarHBondContact O-N 3.15Å; Y588-I592 HydrophobicContact CD1-CD1 4.31Å; Y588-I592 HydrophobicContact CD2-CD1 4.4Å; Y588-I592 HydrophobicContact CE1-CD1 3.97Å; Y588-I592 HydrophobicContact CE2-CD1 4.03Å; Y588-I592 HydrophobicContact CE2-CG1 4.2Å; Y588-I592 WeakPolarHBondContact O-CG1 3.42Å; Y588-I592 PolarHBondContact O-N 3.19Å; Y588-I592 VanDerWaalsContact O-N 3.08Å; Y588-N605 HydrophobicContact CE2-CB 4.19Å; Y588-Q606 PolarHBondContact OH-O 3.15Å; Y588-I608 HydrophobicContact CE1-CD1 4.47Å; Y588-I608 HydrophobicContact CE1-CG1 4.25Å; Y588-Y645 HydrophobicContact CD1-CD2 4.33Å; Y588-Y645 AromaticContact CD1-CE2 3.87Å; Y588-Y645 HydrophobicContact CD1-CE2 3.87Å; Y588-Y645 HydrophobicContact CE1-CD2 4.47Å; Y588-Y645 AromaticContact CE1-CE2 3.73Å; Y588-Y645 HydrophobicContact CE1-CE2 3.73Å
589I88.8Confident81.9Confident0 Ų038.6 Ų38.60%023%0.229CC..Hα-helixtrans-57.8-49173.5-70.4165.4000110.5I585 D586 S591 I592 L593 Y645 F649 N652I585-I589 HydrophobicContact CG2-CD1 3.74Å; I585-I589 HydrophobicContact CG2-CG1 4.46Å; I585-I589 WeakPolarHBondContact O-CG1 3.43Å; I585-I589 PolarHBondContact O-N 2.87Å; D586-I589 PolarHBondContact O-N 2.7Å; I589-S591 PolarHBondContact O-N 3.03Å; I589-I592 PolarHBondContact O-N 2.94Å; I589-L593 HydrophobicContact CG2-CD1 4Å; I589-L593 PolarHBondContact O-N 3.25Å; I589-L593 VanDerWaalsContact O-N 3.08Å; I589-Y645 HydrophobicContact CD1-CD2 3.93Å; I589-Y645 HydrophobicContact CD1-CE2 4.42Å; I589-Y645 HydrophobicContact CG1-CD2 3.74Å; I589-Y645 HydrophobicContact CG1-CE2 3.77Å; I589-F649 HydrophobicContact CD1-CB 4.45Å; I589-F649 HydrophobicContact CG1-CB 4.47Å; I589-F649 HydrophobicContact CG2-CD2 4.24Å; I589-N652 HydrophobicContact CG2-CB 3.83Å
590N87.8Confident80.5Confident56 Ų5637.6 Ų37.630%0.29922%0.219SC..Hα-helixtrans-59.2-28174.4-84.4-83.8000112.8R553 D586 Y588 T594R553-N590 PolarHBondContact NH1-O 3.42Å; R553-N590 PolarHBondContact NH2-O 3.32Å; D586-N590 WeakPolarHBondContact O-CB 3.36Å; D586-N590 PolarHBondContact O-N 3.19Å; D586-N590 PolarHBondContact O-ND2 2.91Å; Y588-N590 PolarHBondContact O-N 2.92Å; N590-T594 WeakPolarHBondContact O-CB 3.33Å; N590-T594 PolarHBondContact O-N 3.1Å; N590-T594 PolarHBondContact O-OG1 3.08Å
591S86.7Confident79.1Confident0 Ų038.8 Ų38.80%023%0.229CC..Hα-helixtrans-83.8-9.5175.7-168.30000115.1T556 A587 Y588 I589 N605T556-S591 PolarHBondContact OG1-OG 3.04Å; A587-S591 WeakPolarHBondContact O-CB 3.46Å; A587-S591 PolarHBondContact O-N 2.95Å; Y588-S591 CarbonylContact O-C 3.56Å; Y588-S591 WeakPolarHBondContact O-CA 3.22Å; Y588-S591 WeakPolarHBondContact O-CB 3.34Å; Y588-S591 PolarHBondContact O-N 3.15Å; I589-S591 PolarHBondContact O-N 3.03Å; S591-N605 PolarHBondContact O-N 3.01Å; S591-N605 PolarHBondContact OG-ND2 3.25Å
592I83.7Confident77.5Confident13 Ų1346.3 Ų46.37%0.06727%0.265CS..Hα-helixtrans-89.3-43.3168.6-63.3157.9000109.5Y588 I589 T604 N605 P607 Y645 F649Y588-I592 HydrophobicContact CD1-CD1 4.31Å; Y588-I592 HydrophobicContact CD2-CD1 4.4Å; Y588-I592 HydrophobicContact CE1-CD1 3.97Å; Y588-I592 HydrophobicContact CE2-CD1 4.03Å; Y588-I592 HydrophobicContact CE2-CG1 4.2Å; Y588-I592 WeakPolarHBondContact O-CG1 3.42Å; Y588-I592 PolarHBondContact O-N 3.19Å; Y588-I592 VanDerWaalsContact O-N 3.08Å; I589-I592 PolarHBondContact O-N 2.94Å; I592-T604 WeakPolarHBondContact O-CB 3.48Å; I592-T604 WeakPolarHBondContact O-CG2 3.31Å; I592-N605 HydrophobicContact CG1-CB 4.08Å; I592-P607 HydrophobicContact CD1-CB 4.12Å; I592-P607 HydrophobicContact CG2-CB 4.36Å; I592-Y645 HydrophobicContact CD1-CE2 4.27Å; I592-F649 HydrophobicContact CB-CE2 4.43Å; I592-F649 HydrophobicContact CG2-CE2 3.89Å
593L78.9Confident76.1Confident4 Ų445.3 Ų45.32%0.02126%0.262CS..Hα-helixtrans-81.3-49.9-174.4-60175.5000113.2I589 F649 N652 L653 L660 P667I589-L593 HydrophobicContact CG2-CD1 4Å; I589-L593 PolarHBondContact O-N 3.25Å; I589-L593 VanDerWaalsContact O-N 3.08Å; L593-F649 HydrophobicContact CD2-CE2 3.94Å; L593-F649 HydrophobicContact CD2-CZ 4.3Å; L593-F649 HydrophobicContact CG-CE2 4.38Å; L593-N652 HydrophobicContact CD1-CB 3.66Å; L593-L653 HydrophobicContact CD2-CD1 3.93Å; L593-L660 HydrophobicContact CD2-CD1 4.38Å; L593-L660 WeakPolarHBondContact O-CD2 3.14Å; L593-P667 HydrophobicContact CD2-CB 4.41Å; L593-P667 HydrophobicContact CD2-CG 4.07Å
594T74.3Confident75.1Confident42 Ų4244.9 Ų44.926%0.25826%0.258SS..SBendtrans-92124.2-178.4-13.40000111.8R553 N590R553-T594 PolarHBondContact NH1-O 3.19Å; R553-T594 PolarHBondContact NH2-OG1 2.69Å; N590-T594 WeakPolarHBondContact O-CB 3.33Å; N590-T594 PolarHBondContact O-N 3.1Å; N590-T594 PolarHBondContact O-OG1 3.08Å
595P69.1Low74.4Confident21 Ų2145.5 Ų45.514%0.13626%0.262CS..  trans-72148.8170.529.9-33.4000111.3S597 T604 M663P595-S597 VanDerWaalsContact C-N 3.31Å; P595-S597 PolarHBondContact O-N 3.29Å; P595-T604 HydrophobicContact CB-CG2 4.04Å; P595-M663 HydrophobicContact CG-CE 3.59Å; P595-M663 HydrophobicContact CG-SD 3.76Å
596A65.1Low73.8Confident41 Ų4151.7 Ų51.734%0.33929%0.29SS..SBendtrans-75.3-13.9-174.400000115.1R553 T556R553-A596 HydrophobicContact CB-CB 3.88Å; R553-A596 HydrophobicContact CG-CB 4.5Å; T556-A596 HydrophobicContact CG2-CB 3.59Å
597S63.9Low73.5Confident65 Ų6551.8 Ų51.846%0.45529%0.294SS..  trans-156.3145.1174.3177.30000111.1P595 A599 N600P595-S597 VanDerWaalsContact C-N 3.31Å; P595-S597 PolarHBondContact O-N 3.29Å; S597-A599 PolarHBondContact O-N 2.84Å; S597-A599 VanDerWaalsContact O-N 3.15Å; S597-A599 PolarHBondContact OG-N 3.28Å; S597-N600 PolarHBondContact O-N 3.16Å
598K60.9Low73.4Confident197 Ų19751.1 Ų51.186%0.85729%0.288SS*.THydrogen-bonded Turntrans-59.7-21.6172.8-63.8-175.6179.1-177.20113.1
599A54.5Low73.1Confident79 Ų7954.1 Ų54.165%0.65331%0.307SS*.THydrogen-bonded Turntrans-80.1-17.8-178.300000114.5S597S597-A599 PolarHBondContact O-N 2.84Å; S597-A599 VanDerWaalsContact O-N 3.15Å; S597-A599 PolarHBondContact OG-N 3.28Å
600N57.2Low72.9Confident97 Ų9757.7 Ų57.752%0.51932%0.323SS..  trans-134.775.4179.2-86-51.9000110.5S597 E602 A603S597-N600 PolarHBondContact O-N 3.16Å; N600-E602 PolarHBondContact O-N 3.03Å; N600-E602 VanDerWaalsContact O-N 3.14Å; N600-A603 HydrophobicContact CB-CB 4.35Å; N600-A603 PolarHBondContact O-N 3.18Å
601P57.9Low72.7Confident56 Ų5662.3 Ų62.336%0.36434%0.343SS..THydrogen-bonded Turntrans-60.9-24.8-175-24.235.1000114.5R665P601-R665 PolarHBondContact O-NE 3.39Å; P601-R665 PolarHBondContact O-NH1 3.49Å; P601-R665 VanDerWaalsContact O-NH1 3.14Å
602E56.9Low72.5Confident158 Ų15864.1 Ų64.174%0.73835%0.351SS*.THydrogen-bonded Turntrans-76.5-21.6-178-62.5-160.9137.800114.3N600 T604 R665N600-E602 PolarHBondContact O-N 3.03Å; N600-E602 VanDerWaalsContact O-N 3.14Å; E602-T604 PolarHBondContact O-N 2.93Å; E602-R665 PolarHBondContact O-NH2 3.14Å
603A61.4Low72.6Confident14 Ų1463.5 Ų63.512%0.11635%0.348CS..  trans-77.692.8-175.700000111.3T556 K559 N600T556-A603 WeakPolarHBondContact CG2-O 3.32Å; K559-A603 HydrophobicContact CG-CB 4.43Å; N600-A603 HydrophobicContact CB-CB 4.35Å; N600-A603 PolarHBondContact O-N 3.18Å
604T71.4Confident72.8Confident34 Ų3464.9 Ų64.921%0.20936%0.356CS..  trans-139.9159.1169.351.30000110.2I592 P595 E602 R665I592-T604 WeakPolarHBondContact O-CB 3.48Å; I592-T604 WeakPolarHBondContact O-CG2 3.31Å; P595-T604 HydrophobicContact CB-CG2 4.04Å; E602-T604 PolarHBondContact O-N 2.93Å; T604-R665 PolarHBondContact OG1-NH1 3.23Å
605N78Confident73.3Confident13 Ų1366.7 Ų66.77%0.0736%0.364CS..PPolyproline II helixtrans-72.4156.6174.7-64.90.8000110.8I562 Y588 S591 I592I562-N605 WeakPolarHBondContact CG2-ND2 3.34Å; Y588-N605 HydrophobicContact CE2-CB 4.19Å; S591-N605 PolarHBondContact O-N 3.01Å; S591-N605 PolarHBondContact OG-ND2 3.25Å; I592-N605 HydrophobicContact CG1-CB 4.08Å
606Q81.1Confident73.9Confident129 Ų12965.8 Ų65.860%0.60336%0.358SS*.PPolyproline II helixtrans-81.5143.2172.4-63.71750.100110.7K563 Y588K563-Q606 HydrophobicContact CD-CB 4.22Å; Y588-Q606 PolarHBondContact OH-O 3.15Å
607P85.1Confident74.6Confident52 Ų5264.9 Ų64.934%0.33835%0.346SS..PPolyproline II helixtrans-74166.8169.432.8-35.4000112.2K563 I592 Y645K563-P607 WeakPolarHBondContact CD-O 3.35Å; I592-P607 HydrophobicContact CD1-CB 4.12Å; I592-P607 HydrophobicContact CG2-CB 4.36Å; P607-Y645 WeakPolarHBondContact CA-OH 3.35Å; P607-Y645 WeakPolarHBondContact CB-OH 3.33Å
608I86.8Confident74.9Confident1 Ų167.7 Ų67.71%0.00535%0.352CS..PPolyproline II helixtrans-71.2139.4172.1-52.8177.6000108.7Y567 Y588 E612 I613 Y645 Y670Y567-I608 HydrophobicContact CD2-CD1 4.4Å; Y567-I608 HydrophobicContact CD2-CG2 3.95Å; Y567-I608 HydrophobicContact CE2-CG2 4.41Å; Y588-I608 HydrophobicContact CE1-CD1 4.47Å; Y588-I608 HydrophobicContact CE1-CG1 4.25Å; I608-E612 HydrophobicContact CG2-CB 3.77Å; I608-I613 HydrophobicContact CG2-CG1 4.02Å; I608-Y645 HydrophobicContact CB-CE1 3.81Å; I608-Y645 HydrophobicContact CD1-CD1 3.91Å; I608-Y645 HydrophobicContact CD1-CE1 3.73Å; I608-Y645 HydrophobicContact CD1-CG 4.41Å; I608-Y645 HydrophobicContact CG1-CD1 4.47Å; I608-Y645 HydrophobicContact CG1-CE1 3.78Å; I608-Y645 PolarHBondContact N-OH 3.39Å; I608-Y670 PolarHBondContact O-OH 3.46Å
609T85.9Confident74.5Confident64 Ų6461.4 Ų61.439%0.39333%0.333SS..PPolyproline II helixtrans-80.2154.9-175.967.10000112.6Q611 E612 I613T609-Q611 PolarHBondContact O-N 2.7Å; T609-E612 WeakPolarHBondContact CB-OE2 3.44Å; T609-E612 WeakPolarHBondContact CG2-OE2 3.43Å; T609-E612 PolarHBondContact N-OE2 3.2Å; T609-E612 PolarHBondContact O-N 2.81Å; T609-E612 VanDerWaalsContact OG1-CG 3.26Å; T609-E612 WeakPolarHBondContact OG1-CG 3.15Å; T609-E612 PolarHBondContact OG1-N 3.14Å; T609-E612 PolarHBondContact OG1-OE2 3.41Å; T609-I613 WeakPolarHBondContact O-CG1 3.38Å; T609-I613 PolarHBondContact O-N 2.78Å
610E84.5Confident73.6Confident76 Ų7662.9 Ų62.936%0.35534%0.339SS..Hα-helixtrans-59.1-32.2178.2-55.8-166.2123.500112.7I613 L614 Y670 S671 L674E610-I613 PolarHBondContact O-N 3.2Å; E610-L614 WeakPolarHBondContact O-CB 3.5Å; E610-L614 VanDerWaalsContact O-CG 3.29Å; E610-L614 WeakPolarHBondContact O-CG 3.49Å; E610-L614 PolarHBondContact O-N 3.29Å; E610-Y670 HydrophobicContact CG-CD1 4Å; E610-Y670 HydrophobicContact CG-CE1 4.37Å; E610-S671 VanDerWaalsContact OE1-CB 3.25Å; E610-S671 WeakPolarHBondContact OE1-CB 3.36Å; E610-S671 PolarHBondContact OE1-N 2.99Å; E610-S671 PolarHBondContact OE1-OG 3.35Å; E610-L674 HydrophobicContact CB-CD2 4.02Å; E610-L674 HydrophobicContact CG-CD2 3.86Å
611Q83Confident72.7Confident153 Ų15362.7 Ų62.772%0.71535%0.35SS*.Hα-helixtrans-69.6-42.6177.2-65.9-178.6-600112T609 I613 L614 N615T609-Q611 PolarHBondContact O-N 2.7Å; Q611-I613 VanDerWaalsContact C-N 3.33Å; Q611-L614 PolarHBondContact O-N 3.32Å; Q611-N615 WeakPolarHBondContact O-CB 3.49Å; Q611-N615 PolarHBondContact O-N 2.99Å; Q611-N615 PolarHBondContact O-ND2 3.38Å; Q611-N615 VanDerWaalsContact O-ND2 3.16Å
612E83.1Confident71.6Confident37 Ų3764 Ų6417%0.17337%0.374CS..Hα-helixtrans-63.5-39.8174.5-70.6162.2141.800111.4K563 Y567 I608 T609K563-E612 WeakPolarHBondContact CE-OE2 3.43Å; K563-E612 VanDerWaalsContact NZ-CD 3.34Å; K563-E612 IonicContact NZ-OE1 3.24Å; K563-E612 PolarHBondContact NZ-OE1 3.04Å; K563-E612 IonicContact NZ-OE2 2.98Å; K563-E612 PolarHBondContact NZ-OE2 3.1Å; Y567-E612 HydrophobicContact CD2-CB 4.36Å; Y567-E612 HydrophobicContact CE2-CB 3.84Å; Y567-E612 PolarHBondContact OH-O 3.21Å; I608-E612 HydrophobicContact CG2-CB 3.77Å; T609-E612 WeakPolarHBondContact CB-OE2 3.44Å; T609-E612 WeakPolarHBondContact CG2-OE2 3.43Å; T609-E612 PolarHBondContact N-OE2 3.2Å; T609-E612 PolarHBondContact O-N 2.81Å; T609-E612 VanDerWaalsContact OG1-CG 3.26Å; T609-E612 WeakPolarHBondContact OG1-CG 3.15Å; T609-E612 PolarHBondContact OG1-N 3.14Å; T609-E612 PolarHBondContact OG1-OE2 3.41Å
613I85.1Confident70.2Confident0 Ų065 Ų650%038%0.378CS..Hα-helixtrans-62.8-51.1174.5-67.2166000110.8I608 T609 E610 Q611 N615 V616 F617 I642 I646 Y670 L674 I678I608-I613 HydrophobicContact CG2-CG1 4.02Å; T609-I613 WeakPolarHBondContact O-CG1 3.38Å; T609-I613 PolarHBondContact O-N 2.78Å; E610-I613 PolarHBondContact O-N 3.2Å; Q611-I613 VanDerWaalsContact C-N 3.33Å; I613-N615 VanDerWaalsContact C-N 3.31Å; I613-N615 PolarHBondContact O-N 3.09Å; I613-V616 PolarHBondContact O-N 3.02Å; I613-V616 VanDerWaalsContact O-N 3.15Å; I613-F617 HydrophobicContact CG2-CD2 3.9Å; I613-F617 HydrophobicContact CG2-CE2 3.8Å; I613-F617 VanDerWaalsContact O-CD2 3.3Å; I613-F617 WeakPolarHBondContact O-CD2 3.38Å; I613-F617 PolarHBondContact O-N 3.17Å; I613-I642 HydrophobicContact CG1-CG2 4.21Å; I613-I642 HydrophobicContact CG2-CG2 4.22Å; I613-I646 HydrophobicContact CD1-CD1 4.09Å; I613-I646 HydrophobicContact CD1-CG1 4.12Å; I613-I646 HydrophobicContact CG1-CD1 4.35Å; I613-I646 HydrophobicContact CG2-CD1 3.6Å; I613-Y670 HydrophobicContact CD1-CD1 4.23Å; I613-Y670 HydrophobicContact CD1-CE1 3.57Å; I613-L674 HydrophobicContact CB-CD2 4.47Å; I613-L674 HydrophobicContact CD1-CD2 4.1Å; I613-L674 HydrophobicContact CG2-CD1 3.95Å; I613-L674 HydrophobicContact CG2-CD2 4.17Å; I613-L674 HydrophobicContact CG2-CG 4.48Å; I613-I678 HydrophobicContact CG2-CD1 4.05Å
614L83.4Confident68.9Low34 Ų3468.4 Ų68.418%0.17842%0.415CS..Hα-helixtrans-60.7-38.1179.9-74.8170.3000112.4E610 Q611 V616 F617 Q618 L674 Q677E610-L614 WeakPolarHBondContact O-CB 3.5Å; E610-L614 VanDerWaalsContact O-CG 3.29Å; E610-L614 WeakPolarHBondContact O-CG 3.49Å; E610-L614 PolarHBondContact O-N 3.29Å; Q611-L614 PolarHBondContact O-N 3.32Å; L614-V616 PolarHBondContact O-N 2.98Å; L614-V616 VanDerWaalsContact O-N 3.1Å; L614-F617 PolarHBondContact O-N 2.94Å; L614-F617 VanDerWaalsContact O-N 3.12Å; L614-Q618 WeakPolarHBondContact O-CB 3.16Å; L614-Q618 VanDerWaalsContact O-CG 3.24Å; L614-Q618 WeakPolarHBondContact O-CG 3.03Å; L614-Q618 PolarHBondContact O-N 3.39Å; L614-L674 HydrophobicContact CD1-CD1 4.27Å; L614-L674 HydrophobicContact CD2-CD1 3.52Å; L614-L674 HydrophobicContact CG-CD1 3.57Å; L614-Q677 HydrophobicContact CD2-CB 4.21Å
615N84.8Confident66.8Low79 Ų7974.1 Ų74.142%0.42244%0.444SS..Hα-helixtrans-59-22.4178-73.6-24.1000113.9Q611 I613 Y634Q611-N615 WeakPolarHBondContact O-CB 3.49Å; Q611-N615 PolarHBondContact O-N 2.99Å; Q611-N615 PolarHBondContact O-ND2 3.38Å; Q611-N615 VanDerWaalsContact O-ND2 3.16Å; I613-N615 VanDerWaalsContact C-N 3.31Å; I613-N615 PolarHBondContact O-N 3.09Å; N615-Y634 WeakPolarHBondContact O-CD2 3.45Å; N615-Y634 WeakPolarHBondContact O-CE2 3.36Å
616V82.3Confident64.6Low3 Ų377 Ų772%0.01848%0.478CS..Hα-helixtrans-88.3-33.1176.7172.50000112.7Y567 I613 L614 Y634 T638 Q639 I642Y567-V616 HydrophobicContact CE2-CG2 4.22Å; I613-V616 PolarHBondContact O-N 3.02Å; I613-V616 VanDerWaalsContact O-N 3.15Å; L614-V616 PolarHBondContact O-N 2.98Å; L614-V616 VanDerWaalsContact O-N 3.1Å; V616-Y634 HydrophobicContact CB-CD2 4.31Å; V616-Y634 HydrophobicContact CB-CG 4.46Å; V616-Y634 HydrophobicContact CG1-CG 4.3Å; V616-Y634 HydrophobicContact CG2-CD1 4.3Å; V616-Y634 HydrophobicContact CG2-CD2 4.01Å; V616-Y634 HydrophobicContact CG2-CE1 4.44Å; V616-Y634 HydrophobicContact CG2-CE2 4.14Å; V616-Y634 HydrophobicContact CG2-CG 4.08Å; V616-T638 HydrophobicContact CG1-CG2 3.82Å; V616-T638 HydrophobicContact CG2-CG2 4.34Å; V616-Q639 HydrophobicContact CG1-CG 3.76Å; V616-Q639 PolarHBondContact O-NE2 3.03Å; V616-Q639 VanDerWaalsContact O-NE2 3.09Å; V616-I642 HydrophobicContact CB-CD1 4.2Å; V616-I642 HydrophobicContact CG1-CD1 4.16Å; V616-I642 HydrophobicContact CG2-CD1 3.81Å
617F79.4Confident62.2Low22 Ų2276.2 Ų76.210%0.09649%0.486CS..Hα-helixtrans-89.8-14.8179-64.4-66.1000114I613 L614 S619 Q639 I642 L643 I646 I678 L683I613-F617 HydrophobicContact CG2-CD2 3.9Å; I613-F617 HydrophobicContact CG2-CE2 3.8Å; I613-F617 VanDerWaalsContact O-CD2 3.3Å; I613-F617 WeakPolarHBondContact O-CD2 3.38Å; I613-F617 PolarHBondContact O-N 3.17Å; L614-F617 PolarHBondContact O-N 2.94Å; L614-F617 VanDerWaalsContact O-N 3.12Å; F617-S619 VanDerWaalsContact C-N 3.32Å; F617-S619 PolarHBondContact O-N 3.35Å; F617-Q639 HydrophobicContact CD1-CB 4.19Å; F617-Q639 HydrophobicContact CD1-CG 3.92Å; F617-Q639 HydrophobicContact CE1-CB 3.69Å; F617-Q639 HydrophobicContact CE1-CG 3.92Å; F617-Q639 WeakPolarHBondContact CE1-O 3.28Å; F617-Q639 VanDerWaalsContact CZ-O 3.31Å; F617-Q639 WeakPolarHBondContact CZ-O 3.42Å; F617-I642 HydrophobicContact CE2-CG2 3.85Å; F617-I642 HydrophobicContact CZ-CB 4.42Å; F617-I642 HydrophobicContact CZ-CG2 4.18Å; F617-L643 HydrophobicContact CZ-CB 4.31Å; F617-I646 HydrophobicContact CE2-CD1 4.34Å; F617-I678 HydrophobicContact CD1-CG2 4.22Å; F617-I678 HydrophobicContact CD2-CD1 3.98Å; F617-I678 HydrophobicContact CD2-CG1 3.77Å; F617-I678 HydrophobicContact CD2-CG2 4.36Å; F617-I678 HydrophobicContact CE1-CG2 4.02Å; F617-I678 HydrophobicContact CE2-CD1 3.82Å; F617-I678 HydrophobicContact CE2-CG1 4.03Å; F617-I678 HydrophobicContact CE2-CG2 4.15Å; F617-I678 HydrophobicContact CG-CG1 4.22Å; F617-I678 HydrophobicContact CG-CG2 4.39Å; F617-I678 HydrophobicContact CZ-CG2 3.98Å; F617-L683 HydrophobicContact CD1-CD1 4.12Å; F617-L683 HydrophobicContact CE1-CD1 3.56Å; F617-L683 HydrophobicContact CZ-CD1 4.43Å
618Q69.9Low59.8Low124 Ų12485.8 Ų85.858%0.57952%0.516SS*.  trans-64.486.9171.7-81.5174.426.200111.6L614L614-Q618 WeakPolarHBondContact O-CB 3.16Å; L614-Q618 VanDerWaalsContact O-CG 3.24Å; L614-Q618 WeakPolarHBondContact O-CG 3.03Å; L614-Q618 PolarHBondContact O-N 3.39Å
619S53.5Low57.3Low64 Ų6489.1 Ų89.145%0.44855%0.551SS.*  trans-62.6143.1156.3-66.50000109.2F617 A621F617-S619 VanDerWaalsContact C-N 3.32Å; F617-S619 PolarHBondContact O-N 3.35Å; S619-A621 PolarHBondContact O-N 3.22Å
620S35.8Very low54.7Low111 Ų11190 Ų9078%0.77657%0.572SS**SBendtrans-74.372.2-178.7-165.80000111.8
621A36.9Very low52.5Low92 Ų9297.9 Ų97.976%0.7660%0.599SS**  trans-113.870.6-179.600000109.3S619S619-A621 PolarHBondContact O-N 3.22Å
622G34.4Very low51.2Low83 Ų8396.2 Ų96.286%0.85659%0.591SS**SBendtrans170.7-15179.100000117.5
623Q28.8Very low50.1Low179 Ų179104.7 Ų104.784%0.83662%0.622SS**  trans-111.597.4-179.6-151.9167.423.800111.3D625Q623-D625 PolarHBondContact O-N 3.49Å
624G33.6Very low49.7Very low86 Ų86107.3 Ų107.389%0.88763%0.632SS**  trans-83.699.8178.900000112.4
625D28.6Very low49.7Very low154 Ų154107.8 Ų107.882%0.82464%0.638SS**  trans-142.2152.1154.8-158.1-3.3000110.7Q623 S627Q623-D625 PolarHBondContact O-N 3.49Å; D625-S627 VanDerWaalsContact C-N 3.26Å; D625-S627 PolarHBondContact O-N 2.88Å
626G31.6Very low49.8Very low75 Ų75106.2 Ų106.277%0.77363%0.629SS**  trans-76.735.1-156.700000117.5
627S30.5Very low50Low112 Ų112106.2 Ų106.278%0.78363%0.629SS**  trans-88.2134.3179.8-75.90000113.5D625 G629D625-S627 VanDerWaalsContact C-N 3.26Å; D625-S627 PolarHBondContact O-N 2.88Å; S627-G629 PolarHBondContact O-N 3.18Å
628R35.1Very low50.5Low252 Ų252105.2 Ų105.295%0.95163%0.625SS**SBendtrans-71.4122.6-171.2-65.2173.5176.1169.9-2.7112.5
629G34.1Very low51.5Low72 Ų7299.9 Ų99.974%0.74260%0.6SS**  trans79.561.2160.500000115.5S627 R631S627-G629 PolarHBondContact O-N 3.18Å; G629-R631 PolarHBondContact O-N 3.48Å
630G30.9Very low53.3Low82 Ų8296.8 Ų96.885%0.84558%0.578SS**  trans-62.696.2171.100000112.5
631R38.8Very low55.9Low241 Ų24191.5 Ų91.591%0.90954%0.541SS*.  trans-65.6143.9167.3-69-179.9173.1178.8-3.2109.6G629 R633G629-R631 PolarHBondContact O-N 3.48Å; R631-R633 PolarHBondContact O-N 3.12Å
632Q54.4Low58.6Low118 Ų11887.1 Ų87.155%0.55151%0.505SS*.  trans-58.4135.4165.1-72.8176.2-52.300109.2Y634Q632-Y634 VanDerWaalsContact C-N 3.31Å; Q632-Y634 PolarHBondContact O-N 2.93Å
633R60.1Low61.3Low216 Ų21683.2 Ų83.282%0.81546%0.464SS*.SBendtrans-73-25.9-174.7-171.6175-176.2170.22.1113.1R631R631-R633 PolarHBondContact O-N 3.12Å
634Y77.3Confident64.4Low55 Ų5575.2 Ų75.222%0.21643%0.427CS..SBendtrans-128.1151.1177.9-63.9-78.4000109.9C571 N615 V616 Q632 T638C571-Y634 HydrophobicContact CB-CD1 4.22Å; C571-Y634 HydrophobicContact CB-CE1 3.98Å; N615-Y634 WeakPolarHBondContact O-CD2 3.45Å; N615-Y634 WeakPolarHBondContact O-CE2 3.36Å; V616-Y634 HydrophobicContact CB-CD2 4.31Å; V616-Y634 HydrophobicContact CB-CG 4.46Å; V616-Y634 HydrophobicContact CG1-CG 4.3Å; V616-Y634 HydrophobicContact CG2-CD1 4.3Å; V616-Y634 HydrophobicContact CG2-CD2 4.01Å; V616-Y634 HydrophobicContact CG2-CE1 4.44Å; V616-Y634 HydrophobicContact CG2-CE2 4.14Å; V616-Y634 HydrophobicContact CG2-CG 4.08Å; Q632-Y634 VanDerWaalsContact C-N 3.31Å; Q632-Y634 PolarHBondContact O-N 2.93Å; Y634-T638 HydrophobicContact CD1-CG2 4.37Å
635S84Confident67.3Low44 Ų4471.1 Ų71.131%0.30839%0.385SS..  trans-78.4160.9-178.556.50000113.1T637 T638 Q639S635-T637 WeakPolarHBondContact CB-OG1 3.36Å; S635-T637 PolarHBondContact O-N 3.45Å; S635-T637 PolarHBondContact OG-OG1 3.02Å; S635-T638 PolarHBondContact O-N 2.95Å; S635-T638 PolarHBondContact OG-N 3.35Å; S635-T638 PolarHBondContact OG-OG1 2.96Å; S635-Q639 PolarHBondContact O-N 3.33Å; S635-Q639 VanDerWaalsContact O-N 3.11Å
636I85.9Confident70.3Confident45 Ų4563.8 Ų63.823%0.23135%0.345CS..Hα-helixtrans-58.7-31.6170.1-169.460.6000112.1Q639 L640 L683 Q686 L690I636-Q639 PolarHBondContact O-N 3.13Å; I636-L640 HydrophobicContact CD1-CD1 4.48Å; I636-L640 HydrophobicContact CD1-CG 4.41Å; I636-L640 HydrophobicContact CG1-CD1 3.95Å; I636-L640 HydrophobicContact CG1-CG 4.35Å; I636-L640 WeakPolarHBondContact O-CB 3.47Å; I636-L640 WeakPolarHBondContact O-CG 3.4Å; I636-L640 PolarHBondContact O-N 3.44Å; I636-L683 HydrophobicContact CD1-CD2 3.56Å; I636-Q686 HydrophobicContact CD1-CB 4.03Å; I636-Q686 HydrophobicContact CD1-CG 4.4Å; I636-Q686 HydrophobicContact CG1-CB 4.18Å; I636-L690 HydrophobicContact CG2-CD1 4.38Å
637T87.6Confident73.1Confident4 Ų460.2 Ų60.23%0.02531%0.309CS..Hα-helixtrans-61.9-46.9173.944.60000112.3T573 T575 S635 L640 L641 L694T573-T637 PolarHBondContact O-OG1 3.38Å; T575-T637 HydrophobicContact CG2-CG2 3.43Å; T575-T637 VanDerWaalsContact CG2-CG2 3.43Å; S635-T637 WeakPolarHBondContact CB-OG1 3.36Å; S635-T637 PolarHBondContact O-N 3.45Å; S635-T637 PolarHBondContact OG-OG1 3.02Å; T637-L640 PolarHBondContact O-N 3.16Å; T637-L641 WeakPolarHBondContact O-CB 3.22Å; T637-L641 WeakPolarHBondContact O-CG 3.46Å; T637-L641 PolarHBondContact O-N 3.01Å; T637-L694 HydrophobicContact CG2-CD2 4.22Å
638T89.4Confident76Confident0 Ų055 Ų550%027%0.272CS..Hα-helixtrans-62.9-44.6177.4-54.10000110.8L570 C571 V616 Y634 S635 L640 L641 I642L570-T638 PolarHBondContact O-OG1 3.07Å; C571-T638 HydrophobicContact CB-CG2 4.43Å; C571-T638 PolarHBondContact O-OG1 3.48Å; V616-T638 HydrophobicContact CG1-CG2 3.82Å; V616-T638 HydrophobicContact CG2-CG2 4.34Å; Y634-T638 HydrophobicContact CD1-CG2 4.37Å; S635-T638 PolarHBondContact O-N 2.95Å; S635-T638 PolarHBondContact OG-N 3.35Å; S635-T638 PolarHBondContact OG-OG1 2.96Å; T638-L640 VanDerWaalsContact C-N 3.35Å; T638-L640 PolarHBondContact O-N 3.1Å; T638-L641 PolarHBondContact O-N 3.07Å; T638-I642 HydrophobicContact CG2-CD1 4.12Å; T638-I642 PolarHBondContact O-N 3.03Å
639Q89.7Confident78.6Confident12 Ų1243.1 Ų43.16%0.05623%0.227CC..Hα-helixtrans-59.3-43.2176.8-74.6174.6-1.300112.1V616 F617 S635 I636 L643 L683V616-Q639 HydrophobicContact CG1-CG 3.76Å; V616-Q639 PolarHBondContact O-NE2 3.03Å; V616-Q639 VanDerWaalsContact O-NE2 3.09Å; F617-Q639 HydrophobicContact CD1-CB 4.19Å; F617-Q639 HydrophobicContact CD1-CG 3.92Å; F617-Q639 HydrophobicContact CE1-CB 3.69Å; F617-Q639 HydrophobicContact CE1-CG 3.92Å; F617-Q639 WeakPolarHBondContact CE1-O 3.28Å; F617-Q639 VanDerWaalsContact CZ-O 3.31Å; F617-Q639 WeakPolarHBondContact CZ-O 3.42Å; S635-Q639 PolarHBondContact O-N 3.33Å; S635-Q639 VanDerWaalsContact O-N 3.11Å; I636-Q639 PolarHBondContact O-N 3.13Å; Q639-L643 VanDerWaalsContact O-CB 3.31Å; Q639-L643 WeakPolarHBondContact O-CB 3.24Å; Q639-L643 PolarHBondContact O-N 3.35Å; Q639-L683 HydrophobicContact CB-CD2 3.97Å
640L91.3Very high81Confident0 Ų040.8 Ų40.80%020%0.197CC..Hα-helixtrans-70.9-38.4178.1-72169.1000113.5I636 T637 T638 L643 Y644 L683 A687 L694 L697 L701I636-L640 HydrophobicContact CD1-CD1 4.48Å; I636-L640 HydrophobicContact CD1-CG 4.41Å; I636-L640 HydrophobicContact CG1-CD1 3.95Å; I636-L640 HydrophobicContact CG1-CG 4.35Å; I636-L640 WeakPolarHBondContact O-CB 3.47Å; I636-L640 WeakPolarHBondContact O-CG 3.4Å; I636-L640 PolarHBondContact O-N 3.44Å; T637-L640 PolarHBondContact O-N 3.16Å; T638-L640 VanDerWaalsContact C-N 3.35Å; T638-L640 PolarHBondContact O-N 3.1Å; L640-L643 PolarHBondContact O-N 3.32Å; L640-Y644 WeakPolarHBondContact O-CB 3.34Å; L640-Y644 PolarHBondContact O-N 2.96Å; L640-L683 HydrophobicContact CD2-CB 3.94Å; L640-L683 WeakPolarHBondContact CD2-O 3.42Å; L640-A687 HydrophobicContact CD1-CB 3.78Å; L640-A687 HydrophobicContact CD2-CB 3.92Å; L640-L694 HydrophobicContact CD1-CD1 3.65Å; L640-L697 HydrophobicContact CB-CD2 3.78Å; L640-L701 HydrophobicContact CB-CD1 4.29Å; L640-L701 HydrophobicContact CD2-CD1 3.67Å
641L92Very high83.7Confident0 Ų039.3 Ų39.30%017%0.168CC..Hα-helixtrans-69.8-35.8177.4-74.2164.9000112.2L570 T573 I577 L581 I585 T637 T638 Y645 L697L570-L641 HydrophobicContact CD2-CB 4.23Å; L570-L641 HydrophobicContact CD2-CD1 4.23Å; T573-L641 HydrophobicContact CG2-CD1 4.17Å; T573-L641 WeakPolarHBondContact OG1-CD1 3.35Å; I577-L641 HydrophobicContact CD1-CD2 4.32Å; I577-L641 HydrophobicContact CD1-CG 4.44Å; L581-L641 HydrophobicContact CB-CD2 4.44Å; L581-L641 HydrophobicContact CD1-CD1 4.43Å; I585-L641 HydrophobicContact CD1-CB 4.44Å; I585-L641 HydrophobicContact CD1-CD2 3.93Å; T637-L641 WeakPolarHBondContact O-CB 3.22Å; T637-L641 WeakPolarHBondContact O-CG 3.46Å; T637-L641 PolarHBondContact O-N 3.01Å; T638-L641 PolarHBondContact O-N 3.07Å; L641-Y645 PolarHBondContact O-N 2.92Å; L641-L697 HydrophobicContact CD2-CD1 4.14Å; L641-L697 HydrophobicContact CD2-CD2 3.86Å; L641-L697 HydrophobicContact CG-CD2 4.01Å
642I92.4Very high85.8Confident0 Ų029.7 Ų29.70%014%0.135CC..Hα-helixtrans-73.5-38.9173.6-69.5-178.1000111.2Y567 L570 I613 V616 F617 T638 Y644 Y645 I646Y567-I642 HydrophobicContact CD2-CD1 4.3Å; Y567-I642 HydrophobicContact CE2-CD1 4.01Å; L570-I642 HydrophobicContact CD1-CG1 4.45Å; I613-I642 HydrophobicContact CG1-CG2 4.21Å; I613-I642 HydrophobicContact CG2-CG2 4.22Å; V616-I642 HydrophobicContact CB-CD1 4.2Å; V616-I642 HydrophobicContact CG1-CD1 4.16Å; V616-I642 HydrophobicContact CG2-CD1 3.81Å; F617-I642 HydrophobicContact CE2-CG2 3.85Å; F617-I642 HydrophobicContact CZ-CB 4.42Å; F617-I642 HydrophobicContact CZ-CG2 4.18Å; T638-I642 HydrophobicContact CG2-CD1 4.12Å; T638-I642 PolarHBondContact O-N 3.03Å; I642-Y644 VanDerWaalsContact C-N 3.29Å; I642-Y644 PolarHBondContact O-N 2.91Å; I642-Y645 PolarHBondContact O-N 3.05Å; I642-I646 HydrophobicContact CG2-CD1 3.9Å; I642-I646 HydrophobicContact CG2-CG1 4.48Å; I642-I646 WeakPolarHBondContact O-CD1 3.46Å; I642-I646 VanDerWaalsContact O-CG1 3.27Å; I642-I646 WeakPolarHBondContact O-CG1 3.37Å; I642-I646 PolarHBondContact O-N 2.99Å
643L92.3Very high87.2Confident0 Ų024.8 Ų24.80%011%0.112CC..Hα-helixtrans-57.6-44.2170.617763.3000111.3F617 Q639 L640 I646 L647 I678 I680 L683 V684 L701F617-L643 HydrophobicContact CZ-CB 4.31Å; Q639-L643 VanDerWaalsContact O-CB 3.31Å; Q639-L643 WeakPolarHBondContact O-CB 3.24Å; Q639-L643 PolarHBondContact O-N 3.35Å; L640-L643 PolarHBondContact O-N 3.32Å; L643-I646 PolarHBondContact O-N 2.83Å; L643-L647 HydrophobicContact CD1-CD1 3.89Å; L643-L647 HydrophobicContact CD1-CG 4.07Å; L643-L647 HydrophobicContact CG-CD1 3.95Å; L643-L647 HydrophobicContact CG-CG 4.47Å; L643-L647 WeakPolarHBondContact O-CG 3.34Å; L643-L647 PolarHBondContact O-N 3.37Å; L643-I678 HydrophobicContact CD1-CG2 4.18Å; L643-I680 HydrophobicContact CD1-CB 4.49Å; L643-I680 HydrophobicContact CD1-CG1 3.97Å; L643-I680 HydrophobicContact CD1-CG2 4.19Å; L643-I680 HydrophobicContact CD2-CG2 4.28Å; L643-L683 HydrophobicContact CD2-CB 3.9Å; L643-L683 HydrophobicContact CD2-CD1 3.97Å; L643-V684 HydrophobicContact CD2-CG2 4.42Å; L643-L701 HydrophobicContact CB-CD2 4.44Å; L643-L701 HydrophobicContact CD2-CD2 4.06Å; L643-L701 HydrophobicContact CG-CD2 3.9Å
644Y93.9Very high88Confident11 Ų1116.1 Ų16.14%0.0438%0.082CC..Hα-helixtrans-62.4-45.4176.2177.8-105.3000112.2I582 I585 D586 L640 I642 I646 L647 S648 L697 A700 L701 L704I582-Y644 HydrophobicContact CB-CE1 4.47Å; I582-Y644 HydrophobicContact CG1-CE1 4.37Å; I582-Y644 HydrophobicContact CG2-CE1 3.95Å; I582-Y644 WeakPolarHBondContact CG2-OH 3.36Å; I585-Y644 HydrophobicContact CB-CD1 4.39Å; I585-Y644 HydrophobicContact CB-CE1 4.23Å; I585-Y644 HydrophobicContact CD1-CD1 3.95Å; I585-Y644 HydrophobicContact CG2-CD1 3.88Å; I585-Y644 HydrophobicContact CG2-CE1 3.86Å; D586-Y644 PolarHBondContact OD1-OH 3.45Å; D586-Y644 VanDerWaalsContact OD1-OH 3.07Å; L640-Y644 WeakPolarHBondContact O-CB 3.34Å; L640-Y644 PolarHBondContact O-N 2.96Å; I642-Y644 VanDerWaalsContact C-N 3.29Å; I642-Y644 PolarHBondContact O-N 2.91Å; Y644-I646 VanDerWaalsContact C-N 3.32Å; Y644-I646 PolarHBondContact O-N 2.98Å; Y644-L647 PolarHBondContact O-N 2.89Å; Y644-S648 VanDerWaalsContact CE2-OG 3.27Å; Y644-S648 WeakPolarHBondContact CE2-OG 3.46Å; Y644-S648 VanDerWaalsContact CZ-OG 3.25Å; Y644-S648 VanDerWaalsContact O-CB 3.25Å; Y644-S648 WeakPolarHBondContact O-CB 3.44Å; Y644-S648 PolarHBondContact O-N 3.45Å; Y644-S648 PolarHBondContact O-OG 2.88Å; Y644-S648 PolarHBondContact OH-OG 3.21Å; Y644-L697 HydrophobicContact CD1-CD1 4.05Å; Y644-L697 HydrophobicContact CD2-CD1 4.04Å; Y644-L697 HydrophobicContact CG-CD1 3.63Å; Y644-A700 HydrophobicContact CD2-CB 4.21Å; Y644-A700 HydrophobicContact CE2-CB 3.63Å; Y644-L701 HydrophobicContact CD2-CD2 4.23Å; Y644-L701 HydrophobicContact CD2-CG 4.35Å; Y644-L704 HydrophobicContact CD2-CD1 3.64Å; Y644-L704 HydrophobicContact CE2-CD1 3.57Å
645Y93.9Very high88.3Confident1 Ų117.2 Ų17.20%0.00410%0.102CC..Hα-helixtrans-55.8-44.9174.1164.5-102.9000112.3I585 Y588 I589 I592 P607 I608 L641 I642 F649 Y670I585-Y645 HydrophobicContact CG2-CD2 4.15Å; Y588-Y645 HydrophobicContact CD1-CD2 4.33Å; Y588-Y645 AromaticContact CD1-CE2 3.87Å; Y588-Y645 HydrophobicContact CD1-CE2 3.87Å; Y588-Y645 HydrophobicContact CE1-CD2 4.47Å; Y588-Y645 AromaticContact CE1-CE2 3.73Å; Y588-Y645 HydrophobicContact CE1-CE2 3.73Å; I589-Y645 HydrophobicContact CD1-CD2 3.93Å; I589-Y645 HydrophobicContact CD1-CE2 4.42Å; I589-Y645 HydrophobicContact CG1-CD2 3.74Å; I589-Y645 HydrophobicContact CG1-CE2 3.77Å; I592-Y645 HydrophobicContact CD1-CE2 4.27Å; P607-Y645 WeakPolarHBondContact CA-OH 3.35Å; P607-Y645 WeakPolarHBondContact CB-OH 3.33Å; I608-Y645 HydrophobicContact CB-CE1 3.81Å; I608-Y645 HydrophobicContact CD1-CD1 3.91Å; I608-Y645 HydrophobicContact CD1-CE1 3.73Å; I608-Y645 HydrophobicContact CD1-CG 4.41Å; I608-Y645 HydrophobicContact CG1-CD1 4.47Å; I608-Y645 HydrophobicContact CG1-CE1 3.78Å; I608-Y645 PolarHBondContact N-OH 3.39Å; L641-Y645 PolarHBondContact O-N 2.92Å; I642-Y645 PolarHBondContact O-N 3.05Å; Y645-F649 WeakPolarHBondContact O-CB 3.41Å; Y645-F649 PolarHBondContact O-N 3.47Å; Y645-Y670 WeakPolarHBondContact CE1-OH 3.41Å; Y645-Y670 PolarHBondContact OH-OH 3.34Å
646I91.4Very high87.9Confident0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-65.7-51.8-179.6-64.6160.4000110.9I613 F617 I642 L643 Y644 S648 F649 E650 Y670 M675 I678I613-I646 HydrophobicContact CD1-CD1 4.09Å; I613-I646 HydrophobicContact CD1-CG1 4.12Å; I613-I646 HydrophobicContact CG1-CD1 4.35Å; I613-I646 HydrophobicContact CG2-CD1 3.6Å; F617-I646 HydrophobicContact CE2-CD1 4.34Å; I642-I646 HydrophobicContact CG2-CD1 3.9Å; I642-I646 HydrophobicContact CG2-CG1 4.48Å; I642-I646 WeakPolarHBondContact O-CD1 3.46Å; I642-I646 VanDerWaalsContact O-CG1 3.27Å; I642-I646 WeakPolarHBondContact O-CG1 3.37Å; I642-I646 PolarHBondContact O-N 2.99Å; L643-I646 PolarHBondContact O-N 2.83Å; Y644-I646 VanDerWaalsContact C-N 3.32Å; Y644-I646 PolarHBondContact O-N 2.98Å; I646-S648 PolarHBondContact O-N 3.48Å; I646-F649 WeakPolarHBondContact O-CB 3.37Å; I646-F649 PolarHBondContact O-N 3Å; I646-F649 VanDerWaalsContact O-N 3.08Å; I646-E650 PolarHBondContact O-N 2.98Å; I646-Y670 HydrophobicContact CG1-CE2 4.47Å; I646-Y670 HydrophobicContact CG2-CD2 4.03Å; I646-Y670 HydrophobicContact CG2-CE2 4.49Å; I646-M675 HydrophobicContact CG2-CE 3.71Å; I646-M675 HydrophobicContact CG2-SD 3.51Å; I646-M675 VanDerWaalsContact CG2-SD 3.51Å; I646-I678 HydrophobicContact CD1-CD1 3.83Å
647L90.9Very high87.3Confident0 Ų015.1 Ų15.10%09%0.091CC..Hα-helixtrans-64.1-40.4-178.2-67.7175.7000112.3L643 Y644 F649 E650 E651 M675 L701 L704 Y709L643-L647 HydrophobicContact CD1-CD1 3.89Å; L643-L647 HydrophobicContact CD1-CG 4.07Å; L643-L647 HydrophobicContact CG-CD1 3.95Å; L643-L647 HydrophobicContact CG-CG 4.47Å; L643-L647 WeakPolarHBondContact O-CG 3.34Å; L643-L647 PolarHBondContact O-N 3.37Å; Y644-L647 PolarHBondContact O-N 2.89Å; L647-F649 VanDerWaalsContact C-N 3.33Å; L647-E650 PolarHBondContact O-N 3.07Å; L647-E651 PolarHBondContact O-N 3.03Å; L647-M675 HydrophobicContact CD2-CE 4.19Å; L647-L701 HydrophobicContact CD1-CD2 3.98Å; L647-L704 HydrophobicContact CB-CB 4.05Å; L647-L704 HydrophobicContact CB-CD1 3.89Å; L647-L704 HydrophobicContact CB-CD2 4.42Å; L647-L704 HydrophobicContact CB-CG 4.35Å; L647-L704 HydrophobicContact CD1-CB 4.21Å; L647-Y709 HydrophobicContact CD2-CD2 4.01Å; L647-Y709 HydrophobicContact CD2-CE2 3.43Å; L647-Y709 VanDerWaalsContact CD2-CE2 3.43Å
648S91.1Very high86.4Confident1 Ų122 Ų221%0.00712%0.12CC..Hα-helixtrans-67.7-31.6172.4-72.50000112.3Y644 I646 N652 L704Y644-S648 VanDerWaalsContact CE2-OG 3.27Å; Y644-S648 WeakPolarHBondContact CE2-OG 3.46Å; Y644-S648 VanDerWaalsContact CZ-OG 3.25Å; Y644-S648 VanDerWaalsContact O-CB 3.25Å; Y644-S648 WeakPolarHBondContact O-CB 3.44Å; Y644-S648 PolarHBondContact O-N 3.45Å; Y644-S648 PolarHBondContact O-OG 2.88Å; Y644-S648 PolarHBondContact OH-OG 3.21Å; I646-S648 PolarHBondContact O-N 3.48Å; S648-N652 VanDerWaalsContact O-CB 3.32Å; S648-N652 WeakPolarHBondContact O-CB 3.47Å; S648-N652 PolarHBondContact O-N 2.96Å; S648-N652 PolarHBondContact O-ND2 2.97Å; S648-L704 WeakPolarHBondContact OG-CD1 3.37Å
649F89.4Confident85.4Confident3 Ų328.1 Ų28.11%0.01315%0.149CC..Hα-helixtrans-68.4-43.9174.8-178.1-97.5000111.2I589 I592 L593 Y645 I646 L647 L653 Y670I589-F649 HydrophobicContact CD1-CB 4.45Å; I589-F649 HydrophobicContact CG1-CB 4.47Å; I589-F649 HydrophobicContact CG2-CD2 4.24Å; I592-F649 HydrophobicContact CB-CE2 4.43Å; I592-F649 HydrophobicContact CG2-CE2 3.89Å; L593-F649 HydrophobicContact CD2-CE2 3.94Å; L593-F649 HydrophobicContact CD2-CZ 4.3Å; L593-F649 HydrophobicContact CG-CE2 4.38Å; Y645-F649 WeakPolarHBondContact O-CB 3.41Å; Y645-F649 PolarHBondContact O-N 3.47Å; I646-F649 WeakPolarHBondContact O-CB 3.37Å; I646-F649 PolarHBondContact O-N 3Å; I646-F649 VanDerWaalsContact O-N 3.08Å; L647-F649 VanDerWaalsContact C-N 3.33Å; F649-L653 HydrophobicContact CE1-CD2 4.32Å; F649-L653 WeakPolarHBondContact O-CB 3.48Å; F649-L653 PolarHBondContact O-N 3Å; F649-Y670 AromaticContact CD1-CD2 3.9Å; F649-Y670 HydrophobicContact CD1-CD2 3.9Å; F649-Y670 AromaticContact CD1-CE2 3.53Å; F649-Y670 HydrophobicContact CD1-CE2 3.53Å; F649-Y670 HydrophobicContact CE1-CD2 4.33Å; F649-Y670 AromaticContact CE1-CE2 3.99Å; F649-Y670 HydrophobicContact CE1-CE2 3.99Å; F649-Y670 HydrophobicContact CG-CE2 4.18Å
650E84.6Confident84.4Confident23 Ų2328.2 Ų28.211%0.10715%0.15CC..Hα-helixtrans-59-49.4173.4-69.4-178.7161.700111.7I646 L647 L653 L654 M675 Y709I646-E650 PolarHBondContact O-N 2.98Å; L647-E650 PolarHBondContact O-N 3.07Å; E650-L653 PolarHBondContact O-N 2.98Å; E650-L654 WeakPolarHBondContact O-CG 3.17Å; E650-L654 PolarHBondContact O-N 3.18Å; E650-M675 WeakPolarHBondContact OE1-CE 3.38Å; E650-Y709 PolarHBondContact OE2-OH 3.19Å
651E86.6Confident83Confident51 Ų5130.2 Ų30.224%0.23817%0.166CC..Hα-helixtrans-61.1-47.7178.8-175.9-178.4-13500112L647 L654 A655 R703 L704L647-E651 PolarHBondContact O-N 3.03Å; E651-L654 PolarHBondContact O-N 3.08Å; E651-A655 WeakPolarHBondContact O-CB 3.24Å; E651-A655 PolarHBondContact O-N 2.98Å; E651-R703 IonicContact OE1-CZ 2.89Å; E651-R703 IonicContact OE1-NH1 2.88Å; E651-R703 PolarHBondContact OE1-NH1 3.36Å; E651-R703 IonicContact OE1-NH2 2.83Å; E651-R703 IonicContact OE2-CZ 2.89Å; E651-R703 IonicContact OE2-NH1 2.76Å; E651-R703 PolarHBondContact OE2-NH1 3.07Å; E651-R703 IonicContact OE2-NH2 2.93Å; E651-R703 PolarHBondContact OE2-NH2 3.25Å; E651-L704 HydrophobicContact CB-CD2 3.98Å; E651-L704 HydrophobicContact CG-CD2 4.44Å; E651-L704 VanDerWaalsContact OE2-CD2 3.29Å; E651-L704 WeakPolarHBondContact OE2-CD2 3.34Å
652N84.4Confident81.8Confident40 Ų4037.7 Ų37.721%0.21421%0.205CC..Hα-helixtrans-71.5-29.8-178.9-77.7-84.2000112.6I589 L593 S648 S656I589-N652 HydrophobicContact CG2-CB 3.83Å; L593-N652 HydrophobicContact CD1-CB 3.66Å; S648-N652 VanDerWaalsContact O-CB 3.32Å; S648-N652 WeakPolarHBondContact O-CB 3.47Å; S648-N652 PolarHBondContact O-N 2.96Å; S648-N652 PolarHBondContact O-ND2 2.97Å; N652-S656 WeakPolarHBondContact O-CB 3.48Å; N652-S656 PolarHBondContact O-N 3.26Å; N652-S656 PolarHBondContact O-OG 3Å
653L82.6Confident80.3Confident15 Ų1541 Ų418%0.07922%0.221CC..Hα-helixtrans-63.2-52.2172.8178.860.5000110.1L593 F649 E650 A655 S656 T657 L660 P667L593-L653 HydrophobicContact CD2-CD1 3.93Å; F649-L653 HydrophobicContact CE1-CD2 4.32Å; F649-L653 WeakPolarHBondContact O-CB 3.48Å; F649-L653 PolarHBondContact O-N 3Å; E650-L653 PolarHBondContact O-N 2.98Å; L653-A655 VanDerWaalsContact C-N 3.35Å; L653-A655 PolarHBondContact O-N 3.1Å; L653-S656 PolarHBondContact O-N 3.31Å; L653-S656 VanDerWaalsContact O-N 3.15Å; L653-T657 PolarHBondContact O-N 2.79Å; L653-T657 PolarHBondContact O-OG1 2.87Å; L653-L660 HydrophobicContact CD1-CD1 3.84Å; L653-P667 HydrophobicContact CD1-CB 3.85Å; L653-P667 HydrophobicContact CD1-CG 3.78Å
654L78Confident78.8Confident33 Ų3349.3 Ų49.317%0.17326%0.26CS..Hα-helixtrans-58.4-42.8176.3-75.3164000112.4E650 E651 T657 C885 K888 E889E650-L654 WeakPolarHBondContact O-CG 3.17Å; E650-L654 PolarHBondContact O-N 3.18Å; E651-L654 PolarHBondContact O-N 3.08Å; L654-T657 PolarHBondContact O-OG1 3.02Å; L654-C885 HydrophobicContact CD1-CB 4.44Å; L654-C885 HydrophobicContact CD2-CB 4.37Å; L654-K888 HydrophobicContact CD2-CB 4.27Å; L654-E889 HydrophobicContact CD2-CG 3.67Å
655A82.3Confident77.1Confident78 Ų7852.7 Ų52.765%0.64527%0.273SS*.Hα-helixtrans-66.6-35.4176.700000112.8E651 L653E651-A655 WeakPolarHBondContact O-CB 3.24Å; E651-A655 PolarHBondContact O-N 2.98Å; L653-A655 VanDerWaalsContact C-N 3.35Å; L653-A655 PolarHBondContact O-N 3.1Å
656S75.9Confident75.5Confident20 Ų2060.5 Ų60.514%0.1431%0.307CS..Hα-helixtrans-85.9-11-176.8-57.80000114.3N652 L653 K658 Q659 L660N652-S656 WeakPolarHBondContact O-CB 3.48Å; N652-S656 PolarHBondContact O-N 3.26Å; N652-S656 PolarHBondContact O-OG 3Å; L653-S656 PolarHBondContact O-N 3.31Å; L653-S656 VanDerWaalsContact O-N 3.15Å; S656-K658 VanDerWaalsContact C-N 3.29Å; S656-K658 PolarHBondContact O-N 3.01Å; S656-K658 VanDerWaalsContact O-N 3.1Å; S656-Q659 WeakPolarHBondContact O-CA 3.45Å; S656-Q659 WeakPolarHBondContact O-CB 3.47Å; S656-Q659 PolarHBondContact O-N 2.88Å; S656-L660 WeakPolarHBondContact O-CG 3.45Å; S656-L660 PolarHBondContact O-N 3.33Å
657T72.9Confident74.2Confident26 Ų2662.5 Ų62.516%0.1632%0.32CS..Hα-helixtrans-44.5-48.4-173.1-64.70000113.5L653 L654 Q659 L660 A661L653-T657 PolarHBondContact O-N 2.79Å; L653-T657 PolarHBondContact O-OG1 2.87Å; L654-T657 PolarHBondContact O-OG1 3.02Å; T657-Q659 VanDerWaalsContact C-N 3.3Å; T657-Q659 PolarHBondContact O-N 3.33Å; T657-L660 PolarHBondContact O-N 3.12Å; T657-L660 VanDerWaalsContact O-N 3.16Å; T657-A661 WeakPolarHBondContact O-CB 3.38Å; T657-A661 PolarHBondContact O-N 3.39Å
658K68.8Low73Confident148 Ų14871.8 Ų71.864%0.64336%0.36SS*.Hα-helixtrans-61.4-33.7-179.9-66.4178.4178.8176.30113.7S656 L662S656-K658 VanDerWaalsContact C-N 3.29Å; S656-K658 PolarHBondContact O-N 3.01Å; S656-K658 VanDerWaalsContact O-N 3.1Å; K658-L662 WeakPolarHBondContact O-CD1 3.43Å; K658-L662 WeakPolarHBondContact O-CG 3.31Å
659Q68.7Low72.1Confident129 Ų12974.5 Ų74.560%0.60338%0.38SS*.Hα-helixtrans-78.3-38.7176.3-60.2-173.710.300111.1S656 T657 L662 M663S656-Q659 WeakPolarHBondContact O-CA 3.45Å; S656-Q659 WeakPolarHBondContact O-CB 3.47Å; S656-Q659 PolarHBondContact O-N 2.88Å; T657-Q659 VanDerWaalsContact C-N 3.3Å; T657-Q659 PolarHBondContact O-N 3.33Å; Q659-L662 PolarHBondContact O-N 3.46Å; Q659-M663 WeakPolarHBondContact O-CG 3.44Å; Q659-M663 PolarHBondContact O-N 3.38Å
660L68.4Low71.8Confident14 Ų1475.6 Ų75.67%0.07338%0.384CS..Hα-helixtrans-66.9-40.7178.9-68.2166.7000112.1L593 L653 S656 T657 M663 Q664 R665 P667L593-L660 HydrophobicContact CD2-CD1 4.38Å; L593-L660 WeakPolarHBondContact O-CD2 3.14Å; L653-L660 HydrophobicContact CD1-CD1 3.84Å; S656-L660 WeakPolarHBondContact O-CG 3.45Å; S656-L660 PolarHBondContact O-N 3.33Å; T657-L660 PolarHBondContact O-N 3.12Å; T657-L660 VanDerWaalsContact O-N 3.16Å; L660-M663 CarbonylContact O-C 3.56Å; L660-M663 WeakPolarHBondContact O-CA 3.42Å; L660-M663 PolarHBondContact O-N 2.94Å; L660-Q664 PolarHBondContact O-N 2.9Å; L660-R665 CarbonylContact C-O 3.46Å; L660-R665 WeakPolarHBondContact CB-O 3.49Å; L660-R665 PolarHBondContact O-N 3.01Å; L660-R665 VanDerWaalsContact O-N 3.1Å; L660-P667 HydrophobicContact CD1-CG 3.96Å; L660-P667 HydrophobicContact CD2-CG 4.16Å
661A63.3Low71.6Confident42 Ų4276.6 Ų76.635%0.34739%0.393SS..Hα-helixtrans-60.6-44.317500000112.2T657 M663 Q664 D892T657-A661 WeakPolarHBondContact O-CB 3.38Å; T657-A661 PolarHBondContact O-N 3.39Å; A661-M663 PolarHBondContact O-N 3.03Å; A661-Q664 PolarHBondContact O-N 3.37Å; A661-D892 HydrophobicContact CB-CB 4.36Å
662L65.3Low71Confident156 Ų15677 Ų7782%0.81741%0.406SS*.Hα-helixtrans-61.7-20.1173.5-73.5170.1000113.6K658 Q659K658-L662 WeakPolarHBondContact O-CD1 3.43Å; K658-L662 WeakPolarHBondContact O-CG 3.31Å; Q659-L662 PolarHBondContact O-N 3.46Å
663M61.6Low70.6Confident70 Ų7078.2 Ų78.235%0.34542%0.421SS..THydrogen-bonded Turntrans-102.511.7175.4-57.8-167.48100113P595 Q659 L660 A661 R665P595-M663 HydrophobicContact CG-CE 3.59Å; P595-M663 HydrophobicContact CG-SD 3.76Å; Q659-M663 WeakPolarHBondContact O-CG 3.44Å; Q659-M663 PolarHBondContact O-N 3.38Å; L660-M663 CarbonylContact O-C 3.56Å; L660-M663 WeakPolarHBondContact O-CA 3.42Å; L660-M663 PolarHBondContact O-N 2.94Å; A661-M663 PolarHBondContact O-N 3.03Å; M663-R665 PolarHBondContact O-N 2.93Å
664Q59.9Low70.6Confident175 Ų17577.7 Ų77.782%0.81842%0.418SS*.THydrogen-bonded Turntrans5024-176.3-62.8-167-4.400115.2L660 A661L660-Q664 PolarHBondContact O-N 2.9Å; A661-Q664 PolarHBondContact O-N 3.37Å
665R59.6Low70.8Confident82 Ų8276.3 Ų76.331%0.30941%0.411SS..  trans-102.8125.8176.2-87.4-177.9146.1-154.6-6.8110.1P601 E602 T604 L660 M663P601-R665 PolarHBondContact O-NE 3.39Å; P601-R665 PolarHBondContact O-NH1 3.49Å; P601-R665 VanDerWaalsContact O-NH1 3.14Å; E602-R665 PolarHBondContact O-NH2 3.14Å; T604-R665 PolarHBondContact OG1-NH1 3.23Å; L660-R665 CarbonylContact C-O 3.46Å; L660-R665 WeakPolarHBondContact CB-O 3.49Å; L660-R665 PolarHBondContact O-N 3.01Å; L660-R665 VanDerWaalsContact O-N 3.1Å; M663-R665 PolarHBondContact O-N 2.93Å
666K59.7Low70.5Confident164 Ų16474.4 Ų74.471%0.71339%0.39SS*.  trans-110.297.5165-65.6-169.7177.3-169.80108.2
667P63.5Low70.6Confident42 Ų4279.2 Ų79.227%0.27341%0.41SS..PPolyproline II helixtrans-56144166.1-19.932.6000109.2L593 L653 L660 S669L593-P667 HydrophobicContact CD2-CB 4.41Å; L593-P667 HydrophobicContact CD2-CG 4.07Å; L653-P667 HydrophobicContact CD1-CB 3.85Å; L653-P667 HydrophobicContact CD1-CG 3.78Å; L660-P667 HydrophobicContact CD1-CG 3.96Å; L660-P667 HydrophobicContact CD2-CG 4.16Å; P667-S669 PolarHBondContact O-N 3.22Å
668K65.6Low71.1Confident195 Ų19578.3 Ų78.385%0.84840%0.404SS*.PPolyproline II helixtrans-72.7124.6172-65-174179.5-175.40108.2
669S73.7Confident71.9Confident59 Ų5973 Ų7341%0.41339%0.385SS..PPolyproline II helixtrans-67.5161.8162.2-161.50000109.8P667P667-S669 PolarHBondContact O-N 3.22Å
670Y83Confident72.8Confident25 Ų2567 Ų6710%0.09836%0.357CS..PPolyproline II helixtrans-69.6150.3174-73.3-63.7000111I608 E610 I613 Y645 I646 F649 L674I608-Y670 PolarHBondContact O-OH 3.46Å; E610-Y670 HydrophobicContact CG-CD1 4Å; E610-Y670 HydrophobicContact CG-CE1 4.37Å; I613-Y670 HydrophobicContact CD1-CD1 4.23Å; I613-Y670 HydrophobicContact CD1-CE1 3.57Å; Y645-Y670 WeakPolarHBondContact CE1-OH 3.41Å; Y645-Y670 PolarHBondContact OH-OH 3.34Å; I646-Y670 HydrophobicContact CG1-CE2 4.47Å; I646-Y670 HydrophobicContact CG2-CD2 4.03Å; I646-Y670 HydrophobicContact CG2-CE2 4.49Å; F649-Y670 AromaticContact CD1-CD2 3.9Å; F649-Y670 HydrophobicContact CD1-CD2 3.9Å; F649-Y670 AromaticContact CD1-CE2 3.53Å; F649-Y670 HydrophobicContact CD1-CE2 3.53Å; F649-Y670 HydrophobicContact CE1-CD2 4.33Å; F649-Y670 AromaticContact CE1-CE2 3.99Å; F649-Y670 HydrophobicContact CE1-CE2 3.99Å; F649-Y670 HydrophobicContact CG-CE2 4.18Å; Y670-L674 HydrophobicContact CD1-CD2 3.81Å; Y670-L674 HydrophobicContact CG-CD2 4.22Å
671S79.6Confident73.7Confident44 Ų4466.6 Ų66.631%0.30835%0.354SS..PPolyproline II helixtrans-70.9140.9-179.262.60000111.5E610 A673 L674 M675E610-S671 VanDerWaalsContact OE1-CB 3.25Å; E610-S671 WeakPolarHBondContact OE1-CB 3.36Å; E610-S671 PolarHBondContact OE1-N 2.99Å; E610-S671 PolarHBondContact OE1-OG 3.35Å; S671-A673 PolarHBondContact O-N 3.09Å; S671-A673 VanDerWaalsContact O-N 3.12Å; S671-L674 WeakPolarHBondContact O-CB 3.4Å; S671-L674 PolarHBondContact O-N 3.2Å; S671-L674 WeakPolarHBondContact OG-CB 3.39Å; S671-L674 PolarHBondContact OG-N 2.93Å; S671-M675 PolarHBondContact O-N 3.16Å
672A73.4Confident74.7Confident61 Ų6167.3 Ų67.350%0.50435%0.349SS..Hα-helixtrans-57-29.6173.900000112.2M675 D676A672-M675 PolarHBondContact O-N 3.1Å; A672-D676 PolarHBondContact O-N 3.37Å
673A76.1Confident75.7Confident64 Ų6460 Ų6053%0.52931%0.31SS..Hα-helixtrans-69.1-28.6175.200000114S671 Q677S671-A673 PolarHBondContact O-N 3.09Å; S671-A673 VanDerWaalsContact O-N 3.12Å; A673-Q677 PolarHBondContact O-NE2 3.32Å
674L83.3Confident76.9Confident4 Ų456.6 Ų56.62%0.02129%0.294CS..Hα-helixtrans-69-50167.617460.3000110E610 I613 L614 Y670 S671 D676 Q677 I678E610-L674 HydrophobicContact CB-CD2 4.02Å; E610-L674 HydrophobicContact CG-CD2 3.86Å; I613-L674 HydrophobicContact CB-CD2 4.47Å; I613-L674 HydrophobicContact CD1-CD2 4.1Å; I613-L674 HydrophobicContact CG2-CD1 3.95Å; I613-L674 HydrophobicContact CG2-CD2 4.17Å; I613-L674 HydrophobicContact CG2-CG 4.48Å; L614-L674 HydrophobicContact CD1-CD1 4.27Å; L614-L674 HydrophobicContact CD2-CD1 3.52Å; L614-L674 HydrophobicContact CG-CD1 3.57Å; Y670-L674 HydrophobicContact CD1-CD2 3.81Å; Y670-L674 HydrophobicContact CG-CD2 4.22Å; S671-L674 WeakPolarHBondContact O-CB 3.4Å; S671-L674 PolarHBondContact O-N 3.2Å; S671-L674 WeakPolarHBondContact OG-CB 3.39Å; S671-L674 PolarHBondContact OG-N 2.93Å; L674-D676 PolarHBondContact O-N 3.39Å; L674-D676 VanDerWaalsContact O-N 3.12Å; L674-Q677 PolarHBondContact O-N 3.41Å; L674-Q677 VanDerWaalsContact O-N 3.07Å; L674-I678 HydrophobicContact CD1-CD1 4.19Å; L674-I678 HydrophobicContact CG-CD1 4.19Å; L674-I678 PolarHBondContact O-N 3.48Å
675M81.6Confident78.1Confident5 Ų549.7 Ų49.73%0.02526%0.263CS..Hα-helixtrans-66.9-13.2-176.3-65.5-55.7-80.600114.2I646 L647 E650 S671 A672 I678 I680 Y709 R817I646-M675 HydrophobicContact CG2-CE 3.71Å; I646-M675 HydrophobicContact CG2-SD 3.51Å; I646-M675 VanDerWaalsContact CG2-SD 3.51Å; L647-M675 HydrophobicContact CD2-CE 4.19Å; E650-M675 WeakPolarHBondContact OE1-CE 3.38Å; S671-M675 PolarHBondContact O-N 3.16Å; A672-M675 PolarHBondContact O-N 3.1Å; M675-I678 HydrophobicContact SD-CD1 4.17Å; M675-I680 HydrophobicContact CE-CD1 4.08Å; M675-Y709 VanDerWaalsContact CE-OH 3.29Å; M675-Y709 WeakPolarHBondContact CE-OH 3.26Å; M675-R817 VanDerWaalsContact C-NH2 3.33Å; M675-R817 VanDerWaalsContact O-CZ 3.26Å; M675-R817 PolarHBondContact O-NH1 2.96Å; M675-R817 PolarHBondContact O-NH2 3.35Å; M675-R817 VanDerWaalsContact O-NH2 3.11Å
676D75.9Confident79.2Confident38 Ų3849.4 Ų49.420%0.20327%0.266CS..Hα-helixtrans-88.3-22.4174.1-146.659.2000113.7A672 L674 R817A672-D676 PolarHBondContact O-N 3.37Å; L674-D676 PolarHBondContact O-N 3.39Å; L674-D676 VanDerWaalsContact O-N 3.12Å; D676-R817 IonicContact OD1-CZ 2.78Å; D676-R817 IonicContact OD1-NE 3.5Å; D676-R817 PolarHBondContact OD1-NE 2.97Å; D676-R817 IonicContact OD1-NH2 3.79Å; D676-R817 PolarHBondContact OD1-NH2 3.45Å
677Q79Confident80.5Confident120 Ų12041.7 Ų41.756%0.56123%0.232SC*.Hα-helixtrans-83.8-21.8177.4-70.817367.500112.9L614 A673 L674L614-Q677 HydrophobicContact CD2-CB 4.21Å; A673-Q677 PolarHBondContact O-NE2 3.32Å; L674-Q677 PolarHBondContact O-N 3.41Å; L674-Q677 VanDerWaalsContact O-N 3.07Å
678I84.2Confident81.5Confident8 Ų843.7 Ų43.74%0.04124%0.238CC..SBendtrans-82.9121.5-179.4-59.1172.5000109.3I613 F617 L643 I646 L674 M675 I680 L683I613-I678 HydrophobicContact CG2-CD1 4.05Å; F617-I678 HydrophobicContact CD1-CG2 4.22Å; F617-I678 HydrophobicContact CD2-CD1 3.98Å; F617-I678 HydrophobicContact CD2-CG1 3.77Å; F617-I678 HydrophobicContact CD2-CG2 4.36Å; F617-I678 HydrophobicContact CE1-CG2 4.02Å; F617-I678 HydrophobicContact CE2-CD1 3.82Å; F617-I678 HydrophobicContact CE2-CG1 4.03Å; F617-I678 HydrophobicContact CE2-CG2 4.15Å; F617-I678 HydrophobicContact CG-CG1 4.22Å; F617-I678 HydrophobicContact CG-CG2 4.39Å; F617-I678 HydrophobicContact CZ-CG2 3.98Å; L643-I678 HydrophobicContact CD1-CG2 4.18Å; I646-I678 HydrophobicContact CD1-CD1 3.83Å; L674-I678 HydrophobicContact CD1-CD1 4.19Å; L674-I678 HydrophobicContact CG-CD1 4.19Å; L674-I678 PolarHBondContact O-N 3.48Å; M675-I678 HydrophobicContact SD-CD1 4.17Å; I678-I680 HydrophobicContact CB-CG1 4.44Å; I678-I680 HydrophobicContact CG2-CG1 4.08Å; I678-I680 PolarHBondContact O-N 2.88Å; I678-L683 HydrophobicContact CG2-CD1 4Å
679P84.7Confident82.2Confident35 Ų3537.6 Ų37.623%0.22723%0.231CC..  trans-81.268.9-178.434.4-36.1000111.1K681 Y682 L683P679-K681 PolarHBondContact O-N 3.47Å; P679-Y682 PolarHBondContact O-N 2.95Å; P679-L683 HydrophobicContact CG-CD1 4.37Å; P679-L683 HydrophobicContact CG-CG 4.39Å; P679-L683 WeakPolarHBondContact O-CG 3.46Å; P679-L683 PolarHBondContact O-N 3.35Å; P679-L683 VanDerWaalsContact O-N 3.12Å
680I88Confident82.7Confident5 Ų537.7 Ų37.73%0.02623%0.226CC..Hα-helixtrans-51.6-49.7-171-57.9178.5000112.3L643 M675 I678 L683 V684 L705 Y709L643-I680 HydrophobicContact CD1-CB 4.49Å; L643-I680 HydrophobicContact CD1-CG1 3.97Å; L643-I680 HydrophobicContact CD1-CG2 4.19Å; L643-I680 HydrophobicContact CD2-CG2 4.28Å; M675-I680 HydrophobicContact CE-CD1 4.08Å; I678-I680 HydrophobicContact CB-CG1 4.44Å; I678-I680 HydrophobicContact CG2-CG1 4.08Å; I678-I680 PolarHBondContact O-N 2.88Å; I680-L683 PolarHBondContact O-N 3.19Å; I680-V684 WeakPolarHBondContact O-CG2 3.32Å; I680-V684 PolarHBondContact O-N 3Å; I680-V684 VanDerWaalsContact O-N 3.11Å; I680-L705 HydrophobicContact CG2-CD1 3.48Å; I680-L705 VanDerWaalsContact CG2-CD1 3.48Å; I680-Y709 HydrophobicContact CD1-CE1 4.49Å
681K85.9Confident82.5Confident4 Ų441.7 Ų41.72%0.01725%0.246CC..Hα-helixtrans-63.4-52.6-174.9-164.8177.9168.5-170.30111.4P679 L683 V684 T685 D717 W718 N812 T813 P816P679-K681 PolarHBondContact O-N 3.47Å; K681-L683 VanDerWaalsContact C-N 3.28Å; K681-L683 PolarHBondContact O-N 3.01Å; K681-V684 PolarHBondContact O-N 2.85Å; K681-T685 PolarHBondContact O-N 3.37Å; K681-T685 PolarHBondContact O-OG1 3.29Å; K681-D717 IonicContact NZ-OD2 3.67Å; K681-D717 PolarHBondContact NZ-OD2 3.45Å; K681-W718 HydrophobicContact CG-CZ2 4.48Å; K681-N812 PolarHBondContact NZ-O 3.44Å; K681-T813 VanDerWaalsContact CD-O 3.27Å; K681-T813 WeakPolarHBondContact CD-O 3.43Å; K681-T813 WeakPolarHBondContact CE-O 3.45Å; K681-T813 VanDerWaalsContact CG-O 3.27Å; K681-T813 WeakPolarHBondContact CG-O 3.46Å; K681-P816 HydrophobicContact CB-CG 4.36Å; K681-P816 HydrophobicContact CD-CG 3.81Å
682Y85.2Confident82.6Confident58 Ų5848.8 Ų48.823%0.22727%0.274CS..Hα-helixtrans-48.8-46.3172.3174.1-100.9000113.3P679 T685 Q686 V814P679-Y682 PolarHBondContact O-N 2.95Å; Y682-T685 PolarHBondContact O-N 2.9Å; Y682-Q686 HydrophobicContact CD1-CG 4.27Å; Y682-Q686 HydrophobicContact CD2-CG 4.41Å; Y682-Q686 HydrophobicContact CE1-CG 3.86Å; Y682-Q686 HydrophobicContact CE2-CG 4.04Å; Y682-Q686 WeakPolarHBondContact O-CG 3.48Å; Y682-Q686 PolarHBondContact O-N 2.89Å; Y682-V814 WeakPolarHBondContact CB-O 3.45Å; Y682-V814 HydrophobicContact CD2-CG1 3.99Å; Y682-V814 HydrophobicContact CD2-CG2 4.25Å; Y682-V814 HydrophobicContact CG-CG1 4.2Å; Y682-V814 PolarHBondContact N-O 3.2Å; Y682-V814 VanDerWaalsContact N-O 3.16Å
683L87Confident83Confident1 Ų149.8 Ų49.81%0.00527%0.268CS..Hα-helixtrans-61.8-45.7179.5-67.7167.3000111.1F617 I636 Q639 L640 L643 I678 P679 I680 K681 T685 Q686 A687F617-L683 HydrophobicContact CD1-CD1 4.12Å; F617-L683 HydrophobicContact CE1-CD1 3.56Å; F617-L683 HydrophobicContact CZ-CD1 4.43Å; I636-L683 HydrophobicContact CD1-CD2 3.56Å; Q639-L683 HydrophobicContact CB-CD2 3.97Å; L640-L683 HydrophobicContact CD2-CB 3.94Å; L640-L683 WeakPolarHBondContact CD2-O 3.42Å; L643-L683 HydrophobicContact CD2-CB 3.9Å; L643-L683 HydrophobicContact CD2-CD1 3.97Å; I678-L683 HydrophobicContact CG2-CD1 4Å; P679-L683 HydrophobicContact CG-CD1 4.37Å; P679-L683 HydrophobicContact CG-CG 4.39Å; P679-L683 WeakPolarHBondContact O-CG 3.46Å; P679-L683 PolarHBondContact O-N 3.35Å; P679-L683 VanDerWaalsContact O-N 3.12Å; I680-L683 PolarHBondContact O-N 3.19Å; K681-L683 VanDerWaalsContact C-N 3.28Å; K681-L683 PolarHBondContact O-N 3.01Å; L683-T685 PolarHBondContact O-N 2.88Å; L683-Q686 PolarHBondContact O-N 2.95Å; L683-A687 PolarHBondContact O-N 2.85Å
684V86.6Confident83.3Confident0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-64.7-37.5177.8-179.60000111.9L643 I680 K681 A687 Q688 L701 L702 L705 W718L643-V684 HydrophobicContact CD2-CG2 4.42Å; I680-V684 WeakPolarHBondContact O-CG2 3.32Å; I680-V684 PolarHBondContact O-N 3Å; I680-V684 VanDerWaalsContact O-N 3.11Å; K681-V684 PolarHBondContact O-N 2.85Å; V684-A687 WeakPolarHBondContact O-CB 3.36Å; V684-A687 PolarHBondContact O-N 3.21Å; V684-Q688 PolarHBondContact O-N 3.3Å; V684-L701 HydrophobicContact CG2-CB 4.45Å; V684-L702 HydrophobicContact CG1-CD1 4.39Å; V684-L705 HydrophobicContact CG1-CD2 4.43Å; V684-L705 HydrophobicContact CG2-CD2 4.38Å; V684-W718 HydrophobicContact CG1-CH2 3.93Å
685T84Confident83.1Confident30 Ų3048.1 Ų48.118%0.18426%0.258CS..Hα-helixtrans-63.5-42.3172.3-51.60000112.1K681 Y682 L683 A687 Q688 G689 E721K681-T685 PolarHBondContact O-N 3.37Å; K681-T685 PolarHBondContact O-OG1 3.29Å; Y682-T685 PolarHBondContact O-N 2.9Å; L683-T685 PolarHBondContact O-N 2.88Å; T685-A687 VanDerWaalsContact C-N 3.28Å; T685-A687 PolarHBondContact O-N 3.18Å; T685-Q688 WeakPolarHBondContact O-CB 3.38Å; T685-Q688 PolarHBondContact O-N 3.45Å; T685-Q688 VanDerWaalsContact O-N 3.15Å; T685-G689 PolarHBondContact O-N 2.9Å; T685-G689 VanDerWaalsContact O-N 3.16Å; T685-E721 WeakPolarHBondContact CG2-OE2 3.24Å
686Q83.6Confident83.2Confident76 Ų7650.5 Ų50.536%0.35528%0.284SS..Hα-helixtrans-62.8-35.2173.4-67.2-61.8-36.200111.9I636 Y682 L683 G689I636-Q686 HydrophobicContact CD1-CB 4.03Å; I636-Q686 HydrophobicContact CD1-CG 4.4Å; I636-Q686 HydrophobicContact CG1-CB 4.18Å; Y682-Q686 HydrophobicContact CD1-CG 4.27Å; Y682-Q686 HydrophobicContact CD2-CG 4.41Å; Y682-Q686 HydrophobicContact CE1-CG 3.86Å; Y682-Q686 HydrophobicContact CE2-CG 4.04Å; Y682-Q686 WeakPolarHBondContact O-CG 3.48Å; Y682-Q686 PolarHBondContact O-N 2.89Å; L683-Q686 PolarHBondContact O-N 2.95Å; Q686-G689 PolarHBondContact O-N 3.17Å
687A85.9Confident83.8Confident1 Ų148.8 Ų48.81%0.00827%0.274CS..Hα-helixtrans-68.4-33.2173.900000112.9L640 L683 V684 T685 L690 L694 H698L640-A687 HydrophobicContact CD1-CB 3.78Å; L640-A687 HydrophobicContact CD2-CB 3.92Å; L683-A687 PolarHBondContact O-N 2.85Å; V684-A687 WeakPolarHBondContact O-CB 3.36Å; V684-A687 PolarHBondContact O-N 3.21Å; T685-A687 VanDerWaalsContact C-N 3.28Å; T685-A687 PolarHBondContact O-N 3.18Å; A687-L690 CarbonylContact O-C 3.37Å; A687-L690 PolarHBondContact O-N 3.25Å; A687-L694 HydrophobicContact CB-CD1 4.33Å; A687-H698 HydrophobicContact CB-CB 4.11Å
688Q84.6Confident84.3Confident84 Ų8443.8 Ų43.839%0.39325%0.251SS..Hα-helixtrans-64.2-38.9174.2-169.9178.5-19.300111.7V684 T685 L690 Q691 H698V684-Q688 PolarHBondContact O-N 3.3Å; T685-Q688 WeakPolarHBondContact O-CB 3.38Å; T685-Q688 PolarHBondContact O-N 3.45Å; T685-Q688 VanDerWaalsContact O-N 3.15Å; Q688-L690 PolarHBondContact O-N 2.9Å; Q688-L690 VanDerWaalsContact O-N 3.16Å; Q688-Q691 WeakPolarHBondContact O-CG 3.18Å; Q688-H698 PolarHBondContact N-ND1 3.22Å
689G80.7Confident84.6Confident68 Ų6847.1 Ų47.170%0.70128%0.275SS*.THydrogen-bonded Turntrans-64.9-12.717400000114.9T685 Q686T685-G689 PolarHBondContact O-N 2.9Å; T685-G689 VanDerWaalsContact O-N 3.16Å; Q686-G689 PolarHBondContact O-N 3.17Å
690L84.1Confident84.8Confident61 Ų6146.3 Ų46.332%0.31927%0.271SS..THydrogen-bonded Turntrans-122.727.3-173.8-66.7173.9000112.8I636 A687 Q688 Q692 E693 L694I636-L690 HydrophobicContact CG2-CD1 4.38Å; A687-L690 CarbonylContact O-C 3.37Å; A687-L690 PolarHBondContact O-N 3.25Å; Q688-L690 PolarHBondContact O-N 2.9Å; Q688-L690 VanDerWaalsContact O-N 3.16Å; L690-Q692 PolarHBondContact O-N 3.39Å; L690-E693 PolarHBondContact O-N 2.96Å; L690-L694 HydrophobicContact CB-CD1 3.62Å; L690-L694 HydrophobicContact CB-CG 3.92Å; L690-L694 HydrophobicContact CD1-CD1 3.87Å; L690-L694 HydrophobicContact CG-CD1 4.41Å; L690-L694 PolarHBondContact O-N 3.17Å
691Q80Confident85Confident108 Ų10846.1 Ų46.151%0.50527%0.27SS..Hα-helixtrans-49.9-35.4-175.4-86.8176.28.400115.4Q688 E693 G695Q688-Q691 WeakPolarHBondContact O-CG 3.18Å; Q691-E693 VanDerWaalsContact C-N 3.28Å; Q691-E693 PolarHBondContact O-N 3.37Å; Q691-G695 VanDerWaalsContact O-CA 3.22Å; Q691-G695 WeakPolarHBondContact O-CA 3.4Å; Q691-G695 PolarHBondContact O-N 3.05Å
692Q80.2Confident85.2Confident193 Ų19349 Ų4990%0.90229%0.286SS*.Hα-helixtrans-64.6-30.7179-63.4-65.8-20.200113.1L690L690-Q692 PolarHBondContact O-N 3.39Å
693E82.3Confident85.6Confident83 Ų8351.5 Ų51.539%0.38830%0.295SS..Hα-helixtrans-104.7-21.2-175.2-65.2-174.8171.600113.1T575 P576 I577 L690 Q691T575-E693 WeakPolarHBondContact CB-OE2 3.26Å; T575-E693 HydrophobicContact CG2-CB 4.02Å; T575-E693 WeakPolarHBondContact CG2-OE2 3.31Å; T575-E693 PolarHBondContact OG1-OE2 2.93Å; P576-E693 HydrophobicContact CB-CB 4.33Å; P576-E693 HydrophobicContact CB-CG 4.47Å; I577-E693 PolarHBondContact N-O 3.45Å; I577-E693 VanDerWaalsContact N-O 3.14Å; L690-E693 PolarHBondContact O-N 2.96Å; Q691-E693 VanDerWaalsContact C-N 3.28Å; Q691-E693 PolarHBondContact O-N 3.37Å
694L82.9Confident85.7Confident3 Ų351.5 Ų51.52%0.01629%0.294CS..Hα-helixtrans-123.20.6-171.5-58.9-174.7000114.6T575 I577 T637 L640 A687 L690 G696 L697 H698T575-L694 HydrophobicContact CG2-CD2 3.7Å; T575-L694 HydrophobicContact CG2-CG 4.35Å; I577-L694 HydrophobicContact CD1-CD2 3.43Å; I577-L694 VanDerWaalsContact CD1-CD2 3.43Å; I577-L694 HydrophobicContact CG1-CD2 3.7Å; T637-L694 HydrophobicContact CG2-CD2 4.22Å; L640-L694 HydrophobicContact CD1-CD1 3.65Å; A687-L694 HydrophobicContact CB-CD1 4.33Å; L690-L694 HydrophobicContact CB-CD1 3.62Å; L690-L694 HydrophobicContact CB-CG 3.92Å; L690-L694 HydrophobicContact CD1-CD1 3.87Å; L690-L694 HydrophobicContact CG-CD1 4.41Å; L690-L694 PolarHBondContact O-N 3.17Å; L694-G696 VanDerWaalsContact C-N 3.3Å; L694-G696 PolarHBondContact O-N 3.39Å; L694-L697 WeakPolarHBondContact O-CA 3.43Å; L694-L697 PolarHBondContact O-N 3.41Å; L694-H698 PolarHBondContact O-N 3.31Å
695G78.1Confident85.9Confident30 Ų3051.5 Ų51.531%0.30929%0.294SS..Hα-helixtrans-49.7-40.9-164.800000116Q691 S699Q691-G695 VanDerWaalsContact O-CA 3.22Å; Q691-G695 WeakPolarHBondContact O-CA 3.4Å; Q691-G695 PolarHBondContact O-N 3.05Å; G695-S699 WeakPolarHBondContact O-CB 3.39Å; G695-S699 PolarHBondContact O-N 3.39Å
696G83.5Confident86.2Confident55 Ų5552.6 Ų52.657%0.56731%0.307SS*.Hα-helixtrans-65.3-37.8175.500000114L694 A700L694-G696 VanDerWaalsContact C-N 3.3Å; L694-G696 PolarHBondContact O-N 3.39Å; G696-A700 WeakPolarHBondContact O-CB 3.49Å; G696-A700 PolarHBondContact O-N 2.73Å
697L88.9Confident86.3Confident2 Ų252.4 Ų52.41%0.0131%0.311CS..Hα-helixtrans-75.9-42.5176.4-174.465.3000111.5I577 I582 L640 L641 Y644 L694 S699 A700 L701I577-L697 HydrophobicContact CD1-CB 4.01Å; I577-L697 HydrophobicContact CD1-CD2 3.43Å; I577-L697 VanDerWaalsContact CD1-CD2 3.43Å; I577-L697 HydrophobicContact CD1-CG 4.33Å; I582-L697 HydrophobicContact CD1-CB 4.17Å; I582-L697 HydrophobicContact CD1-CD1 4.13Å; I582-L697 HydrophobicContact CG1-CD1 4.13Å; L640-L697 HydrophobicContact CB-CD2 3.78Å; L641-L697 HydrophobicContact CD2-CD1 4.14Å; L641-L697 HydrophobicContact CD2-CD2 3.86Å; L641-L697 HydrophobicContact CG-CD2 4.01Å; Y644-L697 HydrophobicContact CD1-CD1 4.05Å; Y644-L697 HydrophobicContact CD2-CD1 4.04Å; Y644-L697 HydrophobicContact CG-CD1 3.63Å; L694-L697 WeakPolarHBondContact O-CA 3.43Å; L694-L697 PolarHBondContact O-N 3.41Å; L697-S699 PolarHBondContact O-N 3.47Å; L697-A700 PolarHBondContact O-N 3.46Å; L697-L701 HydrophobicContact CD1-CD1 4.49Å; L697-L701 HydrophobicContact CD1-CG 4.49Å; L697-L701 HydrophobicContact CD2-CD1 4.46Å; L697-L701 HydrophobicContact CG-CD1 3.97Å; L697-L701 HydrophobicContact CG-CG 4.4Å; L697-L701 WeakPolarHBondContact O-CB 3.49Å; L697-L701 WeakPolarHBondContact O-CG 3.21Å; L697-L701 PolarHBondContact O-N 2.99Å
698H90.1Very high86.3Confident14 Ų1453.6 Ų53.67%0.06532%0.317CS..Hα-helixtrans-60.3-45.4177.7173.667.7000111.6A687 Q688 L694 A700 L701 L702A687-H698 HydrophobicContact CB-CB 4.11Å; Q688-H698 PolarHBondContact N-ND1 3.22Å; L694-H698 PolarHBondContact O-N 3.31Å; H698-A700 PolarHBondContact O-N 3.09Å; H698-L701 PolarHBondContact O-N 3.24Å; H698-L702 WeakPolarHBondContact O-CB 3.49Å; H698-L702 PolarHBondContact O-N 3.08Å
699S89.8Confident86.5Confident79 Ų7951 Ų5155%0.55230%0.304SS*.Hα-helixtrans-59.6-45175.3-179.50000112.3G695 L697 L702 R703G695-S699 WeakPolarHBondContact O-CB 3.39Å; G695-S699 PolarHBondContact O-N 3.39Å; L697-S699 PolarHBondContact O-N 3.47Å; S699-L702 PolarHBondContact O-N 3.2Å; S699-R703 PolarHBondContact O-N 3.13Å
700A90.4Very high86.9Confident18 Ų1850 Ų5015%0.14929%0.285CS..Hα-helixtrans-66.7-39.7178.500000112.8Y644 G696 L697 H698 L704Y644-A700 HydrophobicContact CD2-CB 4.21Å; Y644-A700 HydrophobicContact CE2-CB 3.63Å; G696-A700 WeakPolarHBondContact O-CB 3.49Å; G696-A700 PolarHBondContact O-N 2.73Å; L697-A700 PolarHBondContact O-N 3.46Å; H698-A700 PolarHBondContact O-N 3.09Å; A700-L704 WeakPolarHBondContact O-CD1 3.48Å; A700-L704 WeakPolarHBondContact O-CG 3.3Å; A700-L704 PolarHBondContact O-N 3.04Å
701L92.1Very high87.1Confident0 Ų047.2 Ų47.20%027%0.27CS..Hα-helixtrans-65.4-44.2174.1-79.9171.5000112.5L640 L643 Y644 L647 V684 L697 H698 R703 L704 L705L640-L701 HydrophobicContact CB-CD1 4.29Å; L640-L701 HydrophobicContact CD2-CD1 3.67Å; L643-L701 HydrophobicContact CB-CD2 4.44Å; L643-L701 HydrophobicContact CD2-CD2 4.06Å; L643-L701 HydrophobicContact CG-CD2 3.9Å; Y644-L701 HydrophobicContact CD2-CD2 4.23Å; Y644-L701 HydrophobicContact CD2-CG 4.35Å; L647-L701 HydrophobicContact CD1-CD2 3.98Å; V684-L701 HydrophobicContact CG2-CB 4.45Å; L697-L701 HydrophobicContact CD1-CD1 4.49Å; L697-L701 HydrophobicContact CD1-CG 4.49Å; L697-L701 HydrophobicContact CD2-CD1 4.46Å; L697-L701 HydrophobicContact CG-CD1 3.97Å; L697-L701 HydrophobicContact CG-CG 4.4Å; L697-L701 WeakPolarHBondContact O-CB 3.49Å; L697-L701 WeakPolarHBondContact O-CG 3.21Å; L697-L701 PolarHBondContact O-N 2.99Å; H698-L701 PolarHBondContact O-N 3.24Å; L701-R703 VanDerWaalsContact C-N 3.34Å; L701-R703 PolarHBondContact O-N 3.1Å; L701-L704 PolarHBondContact O-N 3.47Å; L701-L705 WeakPolarHBondContact O-CB 3.28Å; L701-L705 PolarHBondContact O-N 3.25Å
702L90.2Very high87.5Confident66 Ų6642.2 Ų42.235%0.34625%0.247SC..Hα-helixtrans-65.4-38.3179.9-175.361.9000111.5V684 H698 S699 L705 A706 W718V684-L702 HydrophobicContact CG1-CD1 4.39Å; H698-L702 WeakPolarHBondContact O-CB 3.49Å; H698-L702 PolarHBondContact O-N 3.08Å; S699-L702 PolarHBondContact O-N 3.2Å; L702-L705 PolarHBondContact O-N 3.15Å; L702-A706 WeakPolarHBondContact O-CB 3.39Å; L702-A706 PolarHBondContact O-N 3.4Å; L702-W718 HydrophobicContact CD1-CH2 4.06Å
703R92.3Very high87.8Confident110 Ų11035 Ų3542%0.41522%0.217SC..Hα-helixtrans-57.1-51.5170.7-175-166.769.580.9-2.9111.4E651 S699 L701 L705 A706 T707E651-R703 IonicContact OE1-CZ 2.89Å; E651-R703 IonicContact OE1-NH1 2.88Å; E651-R703 PolarHBondContact OE1-NH1 3.36Å; E651-R703 IonicContact OE1-NH2 2.83Å; E651-R703 IonicContact OE2-CZ 2.89Å; E651-R703 IonicContact OE2-NH1 2.76Å; E651-R703 PolarHBondContact OE2-NH1 3.07Å; E651-R703 IonicContact OE2-NH2 2.93Å; E651-R703 PolarHBondContact OE2-NH2 3.25Å; S699-R703 PolarHBondContact O-N 3.13Å; L701-R703 VanDerWaalsContact C-N 3.34Å; L701-R703 PolarHBondContact O-N 3.1Å; R703-L705 VanDerWaalsContact C-N 3.33Å; R703-L705 PolarHBondContact O-N 3.25Å; R703-A706 PolarHBondContact O-N 3.15Å; R703-T707 PolarHBondContact O-N 2.91Å; R703-T707 PolarHBondContact O-OG1 2.93Å
704L90.1Very high88Confident0 Ų031.9 Ų31.90%020%0.203CC..Hα-helixtrans-63.6-36.5179.8-74.4163000112.6Y644 L647 S648 E651 A700 L701 T707 N708Y644-L704 HydrophobicContact CD2-CD1 3.64Å; Y644-L704 HydrophobicContact CE2-CD1 3.57Å; L647-L704 HydrophobicContact CB-CB 4.05Å; L647-L704 HydrophobicContact CB-CD1 3.89Å; L647-L704 HydrophobicContact CB-CD2 4.42Å; L647-L704 HydrophobicContact CB-CG 4.35Å; L647-L704 HydrophobicContact CD1-CB 4.21Å; S648-L704 WeakPolarHBondContact OG-CD1 3.37Å; E651-L704 HydrophobicContact CB-CD2 3.98Å; E651-L704 HydrophobicContact CG-CD2 4.44Å; E651-L704 VanDerWaalsContact OE2-CD2 3.29Å; E651-L704 WeakPolarHBondContact OE2-CD2 3.34Å; A700-L704 WeakPolarHBondContact O-CD1 3.48Å; A700-L704 WeakPolarHBondContact O-CG 3.3Å; A700-L704 PolarHBondContact O-N 3.04Å; L701-L704 PolarHBondContact O-N 3.47Å; L704-T707 PolarHBondContact O-OG1 3.17Å; L704-N708 VanDerWaalsContact O-CB 3.3Å; L704-N708 WeakPolarHBondContact O-CB 3.48Å; L704-N708 PolarHBondContact O-N 3.45Å
705L91Very high88.1Confident0 Ų037 Ų370%023%0.234CC..Hα-helixtrans-63.6-47.8175.1-167.373.9000110.8I680 V684 L701 L702 R703 T707 Y709 L712 W718I680-L705 HydrophobicContact CG2-CD1 3.48Å; I680-L705 VanDerWaalsContact CG2-CD1 3.48Å; V684-L705 HydrophobicContact CG1-CD2 4.43Å; V684-L705 HydrophobicContact CG2-CD2 4.38Å; L701-L705 WeakPolarHBondContact O-CB 3.28Å; L701-L705 PolarHBondContact O-N 3.25Å; L702-L705 PolarHBondContact O-N 3.15Å; R703-L705 VanDerWaalsContact C-N 3.33Å; R703-L705 PolarHBondContact O-N 3.25Å; L705-T707 VanDerWaalsContact C-N 3.34Å; L705-T707 PolarHBondContact O-N 3.27Å; L705-Y709 CarbonylContact O-C 3.53Å; L705-Y709 WeakPolarHBondContact O-CA 3.44Å; L705-Y709 PolarHBondContact O-N 2.93Å; L705-L712 HydrophobicContact CD1-CB 4.31Å; L705-L712 HydrophobicContact CD1-CD1 3.95Å; L705-L712 HydrophobicContact CG-CB 4.49Å; L705-W718 HydrophobicContact CD2-CH2 4.26Å; L705-W718 HydrophobicContact CD2-CZ2 3.87Å
706A88.7Confident88.1Confident53 Ų5339.2 Ų39.244%0.43824%0.237SC..Hα-helixtrans-65.6-32.2179.600000113.5L702 R703L702-A706 WeakPolarHBondContact O-CB 3.39Å; L702-A706 PolarHBondContact O-N 3.4Å; R703-A706 PolarHBondContact O-N 3.15Å
707T86.8Confident87.9Confident73 Ų7336.9 Ų36.945%0.44821%0.211SC..Hα-helixtrans-80.7-39.417754.40000113.7R703 L704 L705R703-T707 PolarHBondContact O-N 2.91Å; R703-T707 PolarHBondContact O-OG1 2.93Å; L704-T707 PolarHBondContact O-OG1 3.17Å; L705-T707 VanDerWaalsContact C-N 3.34Å; L705-T707 PolarHBondContact O-N 3.27Å
708N85.3Confident87.2Confident26 Ų2639.3 Ų39.314%0.13922%0.22CC..Hα-helixtrans-100.9-30.2-168.9-599.5000112.5L704 P710L704-N708 VanDerWaalsContact O-CB 3.3Å; L704-N708 WeakPolarHBondContact O-CB 3.48Å; L704-N708 PolarHBondContact O-N 3.45Å; N708-P710 VanDerWaalsContact C-CD 3.49Å
709Y89.3Confident86.6Confident29 Ų2942.7 Ų42.711%0.11424%0.242CC..  trans-132.155.8-174.4-60.7-93.1000112L647 E650 M675 I680 L705 H711 L712L647-Y709 HydrophobicContact CD2-CD2 4.01Å; L647-Y709 HydrophobicContact CD2-CE2 3.43Å; L647-Y709 VanDerWaalsContact CD2-CE2 3.43Å; E650-Y709 PolarHBondContact OE2-OH 3.19Å; M675-Y709 VanDerWaalsContact CE-OH 3.29Å; M675-Y709 WeakPolarHBondContact CE-OH 3.26Å; I680-Y709 HydrophobicContact CD1-CE1 4.49Å; L705-Y709 CarbonylContact O-C 3.53Å; L705-Y709 WeakPolarHBondContact O-CA 3.44Å; L705-Y709 PolarHBondContact O-N 2.93Å; Y709-H711 AromaticContact CD1-CE1 3.7Å; Y709-H711 AromaticContact CD1-NE2 3.86Å; Y709-H711 PolarHBondContact O-N 3.37Å; Y709-H711 VanDerWaalsContact O-N 3.08Å; Y709-L712 HydrophobicContact CD1-CD1 4.34Å; Y709-L712 HydrophobicContact CG-CD1 4.26Å; Y709-L712 WeakPolarHBondContact O-CB 3.36Å; Y709-L712 PolarHBondContact O-N 2.88Å
710P88.6Confident85.6Confident46 Ų4643.6 Ų43.630%0.29925%0.247SC..G310 helixtrans-60-25.4-175.125.1-35.8000113.8N708 L712 C713 A881N708-P710 VanDerWaalsContact C-CD 3.49Å; P710-L712 PolarHBondContact O-N 2.75Å; P710-C713 PolarHBondContact O-N 2.96Å; P710-A881 HydrophobicContact CG-CB 3.86Å
711H88.7Confident84.4Confident4 Ų446.4 Ų46.42%0.01926%0.257CS..G310 helixtrans-63.4-13.8172.257.6-90000114.3Y709 W820 G874 L877 A878Y709-H711 AromaticContact CD1-CE1 3.7Å; Y709-H711 AromaticContact CD1-NE2 3.86Å; Y709-H711 PolarHBondContact O-N 3.37Å; Y709-H711 VanDerWaalsContact O-N 3.08Å; H711-W820 HydrophobicContact CB-CH2 4.46Å; H711-G874 WeakPolarHBondContact CB-O 3.38Å; H711-L877 HydrophobicContact CB-CB 3.83Å; H711-A878 HydrophobicContact CB-CB 4.07Å
712L88.6Confident83.4Confident3 Ų353.5 Ų53.52%0.01629%0.29CS..G310 helixtrans-94.1-8.9173.1-56-175.1000112.9L705 Y709 P710 W718 P816 R817L705-L712 HydrophobicContact CD1-CB 4.31Å; L705-L712 HydrophobicContact CD1-CD1 3.95Å; L705-L712 HydrophobicContact CG-CB 4.49Å; Y709-L712 HydrophobicContact CD1-CD1 4.34Å; Y709-L712 HydrophobicContact CG-CD1 4.26Å; Y709-L712 WeakPolarHBondContact O-CB 3.36Å; Y709-L712 PolarHBondContact O-N 2.88Å; P710-L712 PolarHBondContact O-N 2.75Å; L712-W718 PolarHBondContact O-NE1 3Å; L712-P816 HydrophobicContact CD2-CB 4.31Å; L712-P816 HydrophobicContact CD2-CG 3.51Å; L712-R817 HydrophobicContact CD2-CG 4.17Å
713C86.9Confident82.1Confident41 Ų4156.9 Ų56.928%0.27730%0.304SS..  trans-106.223.6-177.8-60.20000112.5P710 V715P710-C713 PolarHBondContact O-N 2.96Å; C713-V715 PolarHBondContact O-N 3.17Å
714L85.2Confident80.9Confident18 Ų1858.2 Ų58.29%0.09432%0.324CS..  trans-56.7128.5169.5-77.5170.4000109.7E716 D717 W718 L877L714-E716 PolarHBondContact O-N 2.94Å; L714-D717 HydrophobicContact CB-CB 3.88Å; L714-D717 WeakPolarHBondContact O-CB 3.48Å; L714-D717 PolarHBondContact O-N 3.34Å; L714-W718 VanDerWaalsContact O-CD1 3.23Å; L714-L877 HydrophobicContact CD2-CD1 3.54Å; L714-L877 HydrophobicContact CG-CD1 4.18Å
715V84.8Confident80.2Confident109 Ų10963 Ų6366%0.66135%0.354SS*.SBendtrans-65.3-44.1-173178.80000111.9C713 D717 W718 V719C713-V715 PolarHBondContact O-N 3.17Å; V715-D717 PolarHBondContact O-N 2.75Å; V715-W718 PolarHBondContact O-N 3.04Å; V715-W718 VanDerWaalsContact O-N 3.09Å; V715-V719 HydrophobicContact CG1-CG2 3.88Å; V715-V719 WeakPolarHBondContact O-CG2 3.35Å; V715-V719 PolarHBondContact O-N 3.29Å
716E78.4Confident79.4Confident78 Ų7864.6 Ų64.636%0.36437%0.37SS..Hα-helixtrans-54.1-37.3178.7-63.5166.3161.800111.7L714 W718 C720 Q1002L714-E716 PolarHBondContact O-N 2.94Å; E716-W718 VanDerWaalsContact C-N 3.3Å; E716-W718 PolarHBondContact O-N 3.4Å; E716-C720 PolarHBondContact O-N 2.9Å; E716-C720 PolarHBondContact O-SG 3.48Å; E716-Q1002 PolarHBondContact OE1-NE2 3.01Å
717D80.1Confident79Confident6 Ų665.9 Ų65.93%0.03237%0.373CS..Hα-helixtrans-68.7-20.3-178.1-11726000115K681 L714 V715 N812 H870K681-D717 IonicContact NZ-OD2 3.67Å; K681-D717 PolarHBondContact NZ-OD2 3.45Å; L714-D717 HydrophobicContact CB-CB 3.88Å; L714-D717 WeakPolarHBondContact O-CB 3.48Å; L714-D717 PolarHBondContact O-N 3.34Å; V715-D717 PolarHBondContact O-N 2.75Å; D717-N812 VanDerWaalsContact CG-ND2 3.26Å; D717-N812 PolarHBondContact OD1-ND2 2.93Å; D717-N812 PolarHBondContact OD2-ND2 3.05Å; D717-N812 VanDerWaalsContact OD2-ND2 3.11Å; D717-H870 IonicContact OD1-CD2 3.67Å; D717-H870 IonicContact OD1-CE1 3.79Å; D717-H870 IonicContact OD1-NE2 2.62Å; D717-H870 PolarHBondContact OD1-NE2 3.15Å
718W74.4Confident78.5Confident52 Ų5265.8 Ų65.820%0.19737%0.369CS..Hα-helixtrans-107.8-35.3-179.8-68.262000110.9K681 V684 L702 L705 L712 L714 V715 E716 C720 E721K681-W718 HydrophobicContact CG-CZ2 4.48Å; V684-W718 HydrophobicContact CG1-CH2 3.93Å; L702-W718 HydrophobicContact CD1-CH2 4.06Å; L705-W718 HydrophobicContact CD2-CH2 4.26Å; L705-W718 HydrophobicContact CD2-CZ2 3.87Å; L712-W718 PolarHBondContact O-NE1 3Å; L714-W718 VanDerWaalsContact O-CD1 3.23Å; V715-W718 PolarHBondContact O-N 3.04Å; V715-W718 VanDerWaalsContact O-N 3.09Å; E716-W718 VanDerWaalsContact C-N 3.3Å; E716-W718 PolarHBondContact O-N 3.4Å; W718-C720 PolarHBondContact O-N 3.26Å; W718-E721 PolarHBondContact O-N 2.98Å; W718-E721 VanDerWaalsContact O-N 3.14Å
719V77.7Confident78.1Confident85 Ų8566.1 Ų66.152%0.51537%0.373SS..Hα-helixtrans-61.1-29.7173.9171.80000111.9V715 E721 E722V715-V719 HydrophobicContact CG1-CG2 3.88Å; V715-V719 WeakPolarHBondContact O-CG2 3.35Å; V715-V719 PolarHBondContact O-N 3.29Å; V719-E721 PolarHBondContact O-N 2.69Å; V719-E721 VanDerWaalsContact O-N 3.1Å; V719-E722 PolarHBondContact O-N 3.13Å; V719-E722 VanDerWaalsContact O-N 3.15Å
720C67.9Low77.6Confident98 Ų9869.3 Ų69.366%0.66239%0.391SS*.THydrogen-bonded Turntrans-61.9-13.7175.3-74.20000115.1E716 W718E716-C720 PolarHBondContact O-N 2.9Å; E716-C720 PolarHBondContact O-SG 3.48Å; W718-C720 PolarHBondContact O-N 3.26Å
721E65.6Low77.2Confident77 Ų7771 Ų7136%0.3640%0.397SS..THydrogen-bonded Turntrans-94.4-6.6176.2-59.3-158.4130.800114T685 W718 V719 T813T685-E721 WeakPolarHBondContact CG2-OE2 3.24Å; W718-E721 PolarHBondContact O-N 2.98Å; W718-E721 VanDerWaalsContact O-N 3.14Å; V719-E721 PolarHBondContact O-N 2.69Å; V719-E721 VanDerWaalsContact O-N 3.1Å; E721-T813 HydrophobicContact CG-CG2 3.73Å; E721-T813 WeakPolarHBondContact OE1-CB 3.32Å; E721-T813 PolarHBondContact OE1-OG1 3.34Å
722E70.8Confident76.9Confident149 Ų14974.3 Ų74.370%0.69641%0.409SS*.SBendtrans-76133.6-177.7-64.5-153.7147.900113.7V719 V724V719-E722 PolarHBondContact O-N 3.13Å; V719-E722 VanDerWaalsContact O-N 3.15Å; E722-V724 PolarHBondContact O-N 3.25Å
723E63Low76.4Confident137 Ų13784.7 Ų84.764%0.6445%0.448SS*.  trans-80.383.8-175.6-69.6-161.6-170.400113.4T725 P729E723-T725 PolarHBondContact O-N 2.88Å; E723-T725 VanDerWaalsContact O-N 3.12Å; E723-P729 WeakPolarHBondContact OE1-CG 3.23Å
724V67.4Low76.1Confident138 Ų13889.3 Ų89.384%0.83647%0.468SS*.SBendtrans-56.7-29.5179-169.60000113.9E722E722-V724 PolarHBondContact O-N 3.25Å
725T74.9Confident75.7Confident102 Ų10294 Ų9463%0.62649%0.491SS*.SBendtrans-146.61.2-174.755.90000116.3E723 T727E723-T725 PolarHBondContact O-N 2.88Å; E723-T725 VanDerWaalsContact O-N 3.12Å; T725-T727 PolarHBondContact O-N 3.34Å; T725-T727 WeakPolarHBondContact OG1-CG2 3.23Å; T725-T727 PolarHBondContact OG1-OG1 3Å
726G74.5Confident75.4Confident33 Ų3389.5 Ų89.534%0.3446%0.463SS..SBendtrans62.38.4-175.300000116P729G726-P729 WeakPolarHBondContact O-CD 3.35Å
727T80.7Confident74.6Confident80 Ų8090.6 Ų90.649%0.49148%0.477SS..Hα-helixtrans-72.9-37-174.848.10000113.5T725 L730 L731T725-T727 PolarHBondContact O-N 3.34Å; T725-T727 WeakPolarHBondContact OG1-CG2 3.23Å; T725-T727 PolarHBondContact OG1-OG1 3Å; T727-L730 PolarHBondContact O-N 3.03Å; T727-L731 WeakPolarHBondContact O-CG 3.33Å; T727-L731 PolarHBondContact O-N 3.31Å
728L75.3Confident73.6Confident70 Ų7092.5 Ų92.537%0.36649%0.491SS..Hα-helixtrans-66.8-44-178.1-169.771.8000113.1L730 L731 R732L728-L730 VanDerWaalsContact C-N 3.3Å; L728-L730 PolarHBondContact O-N 2.92Å; L728-L731 PolarHBondContact O-N 2.94Å; L728-R732 WeakPolarHBondContact O-CB 3.33Å; L728-R732 PolarHBondContact O-N 2.92Å
729P76.6Confident72.7Confident34 Ų3495.8 Ų95.822%0.22151%0.512CS..Hα-helixtrans-60.2-35.3170.9-23.831.9000114.1E723 G726 R732 R733E723-P729 WeakPolarHBondContact OE1-CG 3.23Å; G726-P729 WeakPolarHBondContact O-CD 3.35Å; P729-R732 PolarHBondContact O-N 2.88Å; P729-R733 WeakPolarHBondContact O-CB 3.49Å; P729-R733 WeakPolarHBondContact O-CG 3.38Å; P729-R733 PolarHBondContact O-N 3.49Å
730L79.9Confident71.7Confident96 Ų9696.7 Ų96.750%0.50352%0.518SS..Hα-helixtrans-67.7-45.9177.1-178.6148.4000111T727 L728 R732 R733 M734T727-L730 PolarHBondContact O-N 3.03Å; L728-L730 VanDerWaalsContact C-N 3.3Å; L728-L730 PolarHBondContact O-N 2.92Å; L730-R732 PolarHBondContact O-N 3.29Å; L730-R733 PolarHBondContact O-N 2.89Å; L730-M734 HydrophobicContact CD2-CG 4.45Å; L730-M734 HydrophobicContact CD2-SD 3.55Å; L730-M734 VanDerWaalsContact CD2-SD 3.55Å; L730-M734 HydrophobicContact CG-SD 4.27Å; L730-M734 WeakPolarHBondContact O-CG 3.46Å; L730-M734 PolarHBondContact O-N 3.48Å
731L80.7Confident71.6Confident82 Ų8293.3 Ų93.343%0.42950%0.495SS..Hα-helixtrans-61.8-42.2173.4-69.8173.8000111.8T727 L728 R733 M734 M735 L771T727-L731 WeakPolarHBondContact O-CG 3.33Å; T727-L731 PolarHBondContact O-N 3.31Å; L728-L731 PolarHBondContact O-N 2.94Å; L731-R733 PolarHBondContact O-N 3.24Å; L731-M734 PolarHBondContact O-N 3.01Å; L731-M735 VanDerWaalsContact O-CB 3.24Å; L731-M735 WeakPolarHBondContact O-CB 3.2Å; L731-M735 VanDerWaalsContact O-CG 3.26Å; L731-M735 WeakPolarHBondContact O-CG 3.39Å; L731-M735 PolarHBondContact O-N 3.25Å; L731-L771 HydrophobicContact CB-CD2 4.14Å
732R81.8Confident71.8Confident72 Ų7297.7 Ų97.727%0.27251%0.508SS..Hα-helixtrans-54.8-50.8173-177.8-179-71.31491.9110.8L728 P729 L730 M734 L736 L771 L772L728-R732 WeakPolarHBondContact O-CB 3.33Å; L728-R732 PolarHBondContact O-N 2.92Å; P729-R732 PolarHBondContact O-N 2.88Å; L730-R732 PolarHBondContact O-N 3.29Å; R732-M734 PolarHBondContact O-N 3.45Å; R732-L736 HydrophobicContact CG-CD1 4Å; R732-L736 VanDerWaalsContact O-CB 3.31Å; R732-L736 WeakPolarHBondContact O-CB 3.43Å; R732-L736 PolarHBondContact O-N 2.91Å; R732-L771 WeakPolarHBondContact CG-O 3.45Å; R732-L771 PolarHBondContact NE-O 2.88Å; R732-L772 PolarHBondContact NH2-O 2.87Å
733R79.1Confident72.2Confident221 Ų22194.1 Ų94.183%0.83449%0.489SS*.Hα-helixtrans-63.4-34.9178.5-80.4177.2162.7172.5-3.9114.2P729 L730 L731P729-R733 WeakPolarHBondContact O-CB 3.49Å; P729-R733 WeakPolarHBondContact O-CG 3.38Å; P729-R733 PolarHBondContact O-N 3.49Å; L730-R733 PolarHBondContact O-N 2.89Å; L731-R733 PolarHBondContact O-N 3.24Å
734M79.3Confident73.2Confident138 Ų13891.1 Ų91.168%0.6848%0.48SS*.Hα-helixtrans-83.3-31.1-179.1-70.8-177.669.600113.7L730 L731 R732L730-M734 HydrophobicContact CD2-CG 4.45Å; L730-M734 HydrophobicContact CD2-SD 3.55Å; L730-M734 VanDerWaalsContact CD2-SD 3.55Å; L730-M734 HydrophobicContact CG-SD 4.27Å; L730-M734 WeakPolarHBondContact O-CG 3.46Å; L730-M734 PolarHBondContact O-N 3.48Å; L731-M734 PolarHBondContact O-N 3.01Å; R732-M734 PolarHBondContact O-N 3.45Å
735M77.9Confident73.9Confident117 Ų11788.1 Ų88.158%0.57646%0.457SS*.Hα-helixtrans-99.7-23.2-172.8-60.9-91.177.100113.5L731 P737 L771L731-M735 VanDerWaalsContact O-CB 3.24Å; L731-M735 WeakPolarHBondContact O-CB 3.2Å; L731-M735 VanDerWaalsContact O-CG 3.26Å; L731-M735 WeakPolarHBondContact O-CG 3.39Å; L731-M735 PolarHBondContact O-N 3.25Å; M735-P737 VanDerWaalsContact O-CD 3.32Å; M735-P737 WeakPolarHBondContact O-CD 3.15Å; M735-L771 HydrophobicContact CB-CD1 3.62Å; M735-L771 HydrophobicContact CG-CD1 4.21Å
736L76.7Confident74.2Confident14 Ų1488.7 Ų88.77%0.07346%0.456CS..  trans-107.197.7176.8-56.7-173000111R732 S738 H768 L771 L772R732-L736 HydrophobicContact CG-CD1 4Å; R732-L736 VanDerWaalsContact O-CB 3.31Å; R732-L736 WeakPolarHBondContact O-CB 3.43Å; R732-L736 PolarHBondContact O-N 2.91Å; L736-S738 PolarHBondContact O-N 2.92Å; L736-H768 WeakPolarHBondContact CD2-CE1 3.19Å; L736-L771 HydrophobicContact CD1-CB 4.1Å; L736-L771 HydrophobicContact CD2-CB 4.27Å; L736-L771 HydrophobicContact CD2-CD1 4.34Å; L736-L771 HydrophobicContact CG-CB 4.17Å; L736-L772 HydrophobicContact CD1-CD2 3.96Å
737P61.7Low74.7Confident102 Ų10290.4 Ų90.466%0.66246%0.455SS*.SBendtrans-71.5-2.1171.630.9-35.9000113.3M735M735-P737 VanDerWaalsContact O-CD 3.32Å; M735-P737 WeakPolarHBondContact O-CD 3.15Å
738S59.7Low74.9Confident46 Ų4686.7 Ų86.732%0.32243%0.432SS..SBendtrans-154.2136.2174.755.40000108.5L736 T740L736-S738 PolarHBondContact O-N 2.92Å; S738-T740 PolarHBondContact O-N 3.27Å; S738-T740 VanDerWaalsContact O-N 3.14Å
739N55.4Low75.3Confident120 Ų12086.5 Ų86.564%0.64243%0.43SS*.SBendtrans-63.4-17.8177.2-77.817.7000113.5
740T57.9Low75.7Confident105 Ų10590 Ų9064%0.64444%0.443SS*.SBendtrans-73.7126.8176.343.90000111.9S738S738-T740 PolarHBondContact O-N 3.27Å; S738-T740 VanDerWaalsContact O-N 3.14Å
741C65.1Low75.9Confident27 Ų2785.6 Ų85.618%0.18242%0.42CS..  trans-59.4141.4173-175.50000111.6Y743 L772 Y780C741-Y743 PolarHBondContact SG-N 3.37Å; C741-L772 HydrophobicContact CB-CD1 3.93Å; C741-L772 HydrophobicContact CB-CD2 4.31Å; C741-Y780 HydrophobicContact CB-CE2 4.33Å; C741-Y780 VanDerWaalsContact CB-OH 3.28Å; C741-Y780 WeakPolarHBondContact CB-OH 3.4Å; C741-Y780 PolarHBondContact SG-OH 3.2Å
742R69.4Low76Confident169 Ų16981.7 Ų81.764%0.63840%0.4SS*.SBendtrans-83.3-8.2179.6-67.6-177.3174.5-178.3-2.3114.9H768R742-H768 PolarHBondContact N-NE2 3.07Å
743Y79.9Confident76.2Confident73 Ų7384 Ų8429%0.28641%0.414SS..SBendtrans-118.9140.6-173.1-57.5-67.3000111.1C741 I765 H768 Y780C741-Y743 PolarHBondContact SG-N 3.37Å; Y743-I765 HydrophobicContact CD1-CD1 4.5Å; Y743-I765 HydrophobicContact CD1-CG1 4.05Å; Y743-I765 HydrophobicContact CD2-CB 4.25Å; Y743-I765 HydrophobicContact CD2-CG1 4.03Å; Y743-I765 HydrophobicContact CD2-CG2 3.91Å; Y743-I765 HydrophobicContact CE1-CG1 4.08Å; Y743-I765 HydrophobicContact CE2-CB 4.42Å; Y743-I765 HydrophobicContact CE2-CG1 4.05Å; Y743-I765 HydrophobicContact CG-CG1 4.02Å; Y743-I765 HydrophobicContact CG-CG2 4.08Å; Y743-H768 HydrophobicContact CD2-CB 4.36Å; Y743-H768 AromaticContact CD2-CD2 3.86Å; Y743-H768 HydrophobicContact CE2-CB 3.92Å; Y743-H768 AromaticContact CE2-CG 3.98Å; Y743-Y780 WeakPolarHBondContact O-CE1 3.26Å; Y743-Y780 PolarHBondContact O-OH 3.44Å
744T82.8Confident76.3Confident75 Ų7579.8 Ų79.846%0.4640%0.401SS..  trans-92.7157.6177.564.20000112.3N746 Q747 L748T744-N746 PolarHBondContact O-N 3.01Å; T744-Q747 WeakPolarHBondContact O-CB 3.28Å; T744-Q747 PolarHBondContact O-N 3.06Å; T744-Q747 WeakPolarHBondContact OG1-CG 3.48Å; T744-L748 PolarHBondContact O-N 2.66Å; T744-L748 VanDerWaalsContact O-N 3.1Å
745Q82.3Confident76.3Confident74 Ų7474.2 Ų74.235%0.34637%0.374SS..Hα-helixtrans-49.2-42.9175.6-170.5-177.4300112.2Q747 L748 H749 A783Q745-Q747 PolarHBondContact O-N 2.75Å; Q745-L748 WeakPolarHBondContact O-CB 3.35Å; Q745-L748 PolarHBondContact O-N 3.04Å; Q745-H749 PolarHBondContact O-N 3.27Å; Q745-A783 HydrophobicContact CG-CB 3.68Å
746N81.7Confident76Confident114 Ų11471.6 Ų71.661%0.6137%0.366SS*.Hα-helixtrans-64.6-36.1177-67-6.1000113.1T744 Q750T744-N746 PolarHBondContact O-N 3.01Å; N746-Q750 VanDerWaalsContact O-CB 3.32Å; N746-Q750 WeakPolarHBondContact O-CB 3.18Å; N746-Q750 WeakPolarHBondContact O-CG 3.19Å; N746-Q750 PolarHBondContact O-N 3.24Å
747Q84.2Confident76Confident70 Ų7076 Ų7633%0.32740%0.398SS..Hα-helixtrans-71.1-32.5176.7-70.1172-0.800112.4T744 Q745 A751T744-Q747 WeakPolarHBondContact O-CB 3.28Å; T744-Q747 PolarHBondContact O-N 3.06Å; T744-Q747 WeakPolarHBondContact OG1-CG 3.48Å; Q745-Q747 PolarHBondContact O-N 2.75Å; Q747-A751 PolarHBondContact O-N 2.89Å
748L85.9Confident77Confident1 Ų171.8 Ų71.81%0.00537%0.371CS..Hα-helixtrans-67.9-50.4173.1176.662.2000110.7T744 Q745 Q750 A751 F752 L762 I765 L766 L769 Y780 A783 L784T744-L748 PolarHBondContact O-N 2.66Å; T744-L748 VanDerWaalsContact O-N 3.1Å; Q745-L748 WeakPolarHBondContact O-CB 3.35Å; Q745-L748 PolarHBondContact O-N 3.04Å; L748-Q750 PolarHBondContact O-N 3.21Å; L748-A751 WeakPolarHBondContact O-CA 3.33Å; L748-A751 WeakPolarHBondContact O-CB 3.39Å; L748-A751 PolarHBondContact O-N 2.95Å; L748-F752 HydrophobicContact CD1-CD2 4.09Å; L748-F752 HydrophobicContact CD1-CE2 3.56Å; L748-F752 HydrophobicContact CD1-CZ 4.38Å; L748-F752 HydrophobicContact CD2-CE2 4.39Å; L748-F752 HydrophobicContact CG-CD2 4.13Å; L748-F752 HydrophobicContact CG-CE2 3.76Å; L748-F752 WeakPolarHBondContact O-CD2 3.33Å; L748-F752 PolarHBondContact O-N 2.88Å; L748-F752 VanDerWaalsContact O-N 3.15Å; L748-L762 HydrophobicContact CD1-CD1 3.73Å; L748-I765 HydrophobicContact CD1-CG2 3.85Å; L748-L766 HydrophobicContact CD1-CD2 4.09Å; L748-L769 HydrophobicContact CD2-CD1 4.12Å; L748-Y780 HydrophobicContact CD2-CD1 4.07Å; L748-A783 HydrophobicContact CD2-CB 3.98Å; L748-A783 HydrophobicContact CG-CB 4.35Å; L748-L784 HydrophobicContact CD2-CD2 3.98Å; L748-L784 HydrophobicContact CD2-CG 4.07Å
749H83.6Confident78.1Confident67 Ų6770.4 Ų70.431%0.3136%0.361SS..Hα-helixtrans-63.4-40.2179.7-165.564.6000112.4Q745 A751 F752 Q753 A783 S787Q745-H749 PolarHBondContact O-N 3.27Å; H749-A751 PolarHBondContact O-N 3.48Å; H749-F752 PolarHBondContact O-N 3.02Å; H749-Q753 PolarHBondContact CD2-NE2 3.43Å; H749-Q753 PolarHBondContact NE2-NE2 2.89Å; H749-Q753 WeakPolarHBondContact O-CG 3.33Å; H749-Q753 PolarHBondContact O-N 3.15Å; H749-A783 HydrophobicContact CB-CB 4.46Å; H749-S787 PolarHBondContact ND1-OG 3.3Å
750Q83.8Confident79.6Confident108 Ų10869.2 Ų69.251%0.50536%0.36SS..Hα-helixtrans-63.6-21.1171.4-75.7177.79.800114.4N746 L748N746-Q750 VanDerWaalsContact O-CB 3.32Å; N746-Q750 WeakPolarHBondContact O-CB 3.18Å; N746-Q750 WeakPolarHBondContact O-CG 3.19Å; N746-Q750 PolarHBondContact O-N 3.24Å; L748-Q750 PolarHBondContact O-N 3.21Å
751A84.3Confident80.9Confident2 Ų271.1 Ų71.12%0.01736%0.355CS..Hα-helixtrans-80.8-39174.400000111.3Q747 L748 H749 K754 S758 L762 I765Q747-A751 PolarHBondContact O-N 2.89Å; L748-A751 WeakPolarHBondContact O-CA 3.33Å; L748-A751 WeakPolarHBondContact O-CB 3.39Å; L748-A751 PolarHBondContact O-N 2.95Å; H749-A751 PolarHBondContact O-N 3.48Å; A751-K754 PolarHBondContact O-N 3.44Å; A751-S758 VanDerWaalsContact O-CB 3.27Å; A751-S758 WeakPolarHBondContact O-CB 3.23Å; A751-S758 PolarHBondContact O-OG 3.48Å; A751-L762 HydrophobicContact CB-CB 4.23Å; A751-L762 HydrophobicContact CB-CD1 4.12Å; A751-I765 HydrophobicContact CB-CD1 4.11Å
752F84.3Confident82Confident1 Ų169.8 Ų69.80%0.00435%0.346CS..Hα-helixtrans-63-46.8172.7-77.2-73000112.6L748 H749 K754 L755 L762 L766 L784 S787 L790 L791 L804L748-F752 HydrophobicContact CD1-CD2 4.09Å; L748-F752 HydrophobicContact CD1-CE2 3.56Å; L748-F752 HydrophobicContact CD1-CZ 4.38Å; L748-F752 HydrophobicContact CD2-CE2 4.39Å; L748-F752 HydrophobicContact CG-CD2 4.13Å; L748-F752 HydrophobicContact CG-CE2 3.76Å; L748-F752 WeakPolarHBondContact O-CD2 3.33Å; L748-F752 PolarHBondContact O-N 2.88Å; L748-F752 VanDerWaalsContact O-N 3.15Å; H749-F752 PolarHBondContact O-N 3.02Å; F752-K754 PolarHBondContact O-N 3.19Å; F752-L755 HydrophobicContact CD1-CD1 4.19Å; F752-L755 WeakPolarHBondContact O-CG 3.33Å; F752-L755 PolarHBondContact O-N 3.28Å; F752-L762 HydrophobicContact CD1-CD1 4.39Å; F752-L762 HydrophobicContact CD1-CD2 3.5Å; F752-L762 VanDerWaalsContact CD1-CD2 3.5Å; F752-L762 HydrophobicContact CD2-CD1 4.26Å; F752-L762 HydrophobicContact CE1-CD1 4.2Å; F752-L762 HydrophobicContact CE1-CD2 3.67Å; F752-L762 HydrophobicContact CE1-CG 4.48Å; F752-L762 HydrophobicContact CE2-CD1 4.09Å; F752-L762 HydrophobicContact CG-CD1 4.41Å; F752-L762 HydrophobicContact CG-CD2 4.04Å; F752-L762 HydrophobicContact CZ-CD1 4.05Å; F752-L762 HydrophobicContact CZ-CD2 4.34Å; F752-L766 HydrophobicContact CZ-CD2 4.45Å; F752-L784 HydrophobicContact CE2-CD2 4.21Å; F752-L784 HydrophobicContact CZ-CD2 4.09Å; F752-S787 VanDerWaalsContact CD2-CB 3.45Å; F752-S787 WeakPolarHBondContact CD2-OG 3.46Å; F752-L790 HydrophobicContact CB-CD1 4.35Å; F752-L791 HydrophobicContact CD1-CD2 4.23Å; F752-L791 HydrophobicContact CE1-CD1 4.22Å; F752-L791 HydrophobicContact CE1-CD2 4.08Å; F752-L791 HydrophobicContact CE1-CG 4.35Å; F752-L804 HydrophobicContact CE1-CD1 4.34Å; F752-L804 HydrophobicContact CZ-CD1 4.02Å
753Q84.7Confident82.9Confident121 Ų12162.9 Ų62.957%0.56532%0.322SS*.THydrogen-bonded Turntrans-61.6-0.3179.8-70.3-177.1-2.600115.7H749H749-Q753 PolarHBondContact CD2-NE2 3.43Å; H749-Q753 PolarHBondContact NE2-NE2 2.89Å; H749-Q753 WeakPolarHBondContact O-CG 3.33Å; H749-Q753 PolarHBondContact O-N 3.15Å
754K81.9Confident83.2Confident131 Ų13168 Ų6857%0.5734%0.34SS*.THydrogen-bonded Turntrans-124.216.1-177.9-65.1-173.1179.5-172.30113.4A751 F752 S757 S758A751-K754 PolarHBondContact O-N 3.44Å; F752-K754 PolarHBondContact O-N 3.19Å; K754-S757 PolarHBondContact O-N 3.46Å; K754-S757 VanDerWaalsContact O-N 3.15Å; K754-S757 PolarHBondContact O-OG 3.48Å; K754-S758 WeakPolarHBondContact O-CB 3.27Å; K754-S758 PolarHBondContact O-N 2.95Å; K754-S758 PolarHBondContact O-OG 3.32Å
755L78.5Confident83.4Confident22 Ų2264.5 Ų64.512%0.11532%0.319CS..THydrogen-bonded Turntrans-63155.6169.2-74.8166.1000111.1F752 S757 S758 S759 L762 L791 L800F752-L755 HydrophobicContact CD1-CD1 4.19Å; F752-L755 WeakPolarHBondContact O-CG 3.33Å; F752-L755 PolarHBondContact O-N 3.28Å; L755-S757 VanDerWaalsContact C-N 3.28Å; L755-S758 PolarHBondContact N-OG 2.96Å; L755-S759 WeakPolarHBondContact CD2-OG 3.39Å; L755-L762 HydrophobicContact CD1-CD2 4.13Å; L755-L762 HydrophobicContact CD2-CD2 4.19Å; L755-L762 HydrophobicContact CG-CD2 4.33Å; L755-L791 HydrophobicContact CD1-CD2 3.53Å; L755-L800 HydrophobicContact CD2-CD1 4.37Å
756P71.3Confident83.7Confident61 Ų6161 Ų6140%0.39630%0.302SS..THydrogen-bonded Turncis-69.9-17.8-10.1-19.733.8000113.8S758 S759P756-S758 PolarHBondContact O-N 3.49Å; P756-S758 VanDerWaalsContact O-N 3.1Å; P756-S759 WeakPolarHBondContact O-CB 3.41Å; P756-S759 PolarHBondContact O-N 3.05Å; P756-S759 VanDerWaalsContact O-N 3.12Å; P756-S759 PolarHBondContact O-OG 3.48Å
757S77.9Confident84Confident107 Ų10758.4 Ų58.475%0.74829%0.287SS*.THydrogen-bonded Turntrans-59.5-27.1-168.6770000115.3K754 L755K754-S757 PolarHBondContact O-N 3.46Å; K754-S757 VanDerWaalsContact O-N 3.15Å; K754-S757 PolarHBondContact O-OG 3.48Å; L755-S757 VanDerWaalsContact C-N 3.28Å
758S81.8Confident84.1Confident14 Ų1456.4 Ų56.410%0.09828%0.277CS..THydrogen-bonded Turntrans-84.9-5.3-178.461.80000114.9A751 K754 L755 P756 P760 R761 L762A751-S758 VanDerWaalsContact O-CB 3.27Å; A751-S758 WeakPolarHBondContact O-CB 3.23Å; A751-S758 PolarHBondContact O-OG 3.48Å; K754-S758 WeakPolarHBondContact O-CB 3.27Å; K754-S758 PolarHBondContact O-N 2.95Å; K754-S758 PolarHBondContact O-OG 3.32Å; L755-S758 PolarHBondContact N-OG 2.96Å; P756-S758 PolarHBondContact O-N 3.49Å; P756-S758 VanDerWaalsContact O-N 3.1Å; S758-P760 VanDerWaalsContact C-CD 3.47Å; S758-P760 VanDerWaalsContact O-N 3.1Å; S758-R761 WeakPolarHBondContact O-CA 3.37Å; S758-R761 WeakPolarHBondContact O-CB 3.43Å; S758-R761 PolarHBondContact O-N 2.92Å; S758-L762 PolarHBondContact O-N 3.01Å
759S84.1Confident84.1Confident16 Ų1656.4 Ų56.411%0.11228%0.277CS..Hα-helixtrans-47-45.3-167.1-62.90000115L755 P756 R761 L762 M763L755-S759 WeakPolarHBondContact CD2-OG 3.39Å; P756-S759 WeakPolarHBondContact O-CB 3.41Å; P756-S759 PolarHBondContact O-N 3.05Å; P756-S759 VanDerWaalsContact O-N 3.12Å; P756-S759 PolarHBondContact O-OG 3.48Å; S759-R761 VanDerWaalsContact C-N 3.32Å; S759-R761 PolarHBondContact O-N 2.91Å; S759-L762 PolarHBondContact O-N 3.02Å; S759-M763 WeakPolarHBondContact O-CB 3.4Å; S759-M763 PolarHBondContact O-N 3.42Å
760P85.8Confident84.3Confident95 Ų9554.8 Ų54.862%0.61727%0.272SS*.Hα-helixtrans-67.5-28179.1-20.333.9000114.2S758 R764S758-P760 VanDerWaalsContact C-CD 3.47Å; S758-P760 VanDerWaalsContact O-N 3.1Å; P760-R764 WeakPolarHBondContact O-CG 3.35Å; P760-R764 PolarHBondContact O-N 3.01Å
761R86.1Confident84.4Confident145 Ų14550.9 Ų50.955%0.54726%0.255SS..Hα-helixtrans-76.2-42.9174.7176176.8170.8169-3.7110.7S758 S759 R764 I765S758-R761 WeakPolarHBondContact O-CA 3.37Å; S758-R761 WeakPolarHBondContact O-CB 3.43Å; S758-R761 PolarHBondContact O-N 2.92Å; S759-R761 VanDerWaalsContact C-N 3.32Å; S759-R761 PolarHBondContact O-N 2.91Å; R761-R764 PolarHBondContact O-N 3.24Å; R761-I765 HydrophobicContact CG-CD1 4.38Å; R761-I765 WeakPolarHBondContact O-CG1 3.19Å; R761-I765 PolarHBondContact O-N 3.35Å
762L86.9Confident84.4Confident0 Ų051.1 Ų51.10%026%0.256CS..Hα-helixtrans-63.1-45.1176.8-179.751.6000110.8L748 A751 F752 L755 S758 S759 R764 I765 L766 L800L748-L762 HydrophobicContact CD1-CD1 3.73Å; A751-L762 HydrophobicContact CB-CB 4.23Å; A751-L762 HydrophobicContact CB-CD1 4.12Å; F752-L762 HydrophobicContact CD1-CD1 4.39Å; F752-L762 HydrophobicContact CD1-CD2 3.5Å; F752-L762 VanDerWaalsContact CD1-CD2 3.5Å; F752-L762 HydrophobicContact CD2-CD1 4.26Å; F752-L762 HydrophobicContact CE1-CD1 4.2Å; F752-L762 HydrophobicContact CE1-CD2 3.67Å; F752-L762 HydrophobicContact CE1-CG 4.48Å; F752-L762 HydrophobicContact CE2-CD1 4.09Å; F752-L762 HydrophobicContact CG-CD1 4.41Å; F752-L762 HydrophobicContact CG-CD2 4.04Å; F752-L762 HydrophobicContact CZ-CD1 4.05Å; F752-L762 HydrophobicContact CZ-CD2 4.34Å; L755-L762 HydrophobicContact CD1-CD2 4.13Å; L755-L762 HydrophobicContact CD2-CD2 4.19Å; L755-L762 HydrophobicContact CG-CD2 4.33Å; S758-L762 PolarHBondContact O-N 3.01Å; S759-L762 PolarHBondContact O-N 3.02Å; L762-R764 VanDerWaalsContact C-N 3.33Å; L762-R764 PolarHBondContact O-N 3.34Å; L762-I765 PolarHBondContact O-N 3.06Å; L762-L766 HydrophobicContact CD1-CD1 4.27Å; L762-L766 HydrophobicContact CD1-CD2 4.15Å; L762-L766 HydrophobicContact CD1-CG 3.99Å; L762-L766 HydrophobicContact CG-CD1 4.19Å; L762-L766 HydrophobicContact CG-CG 4.34Å; L762-L766 WeakPolarHBondContact O-CG 3.38Å; L762-L766 PolarHBondContact O-N 3.3Å; L762-L800 HydrophobicContact CD2-CD1 3.96Å; L762-L800 HydrophobicContact CD2-CD2 4.32Å; L762-L800 HydrophobicContact CG-CD1 4.18Å
763M89.1Confident84.2Confident23 Ų2352.8 Ų52.811%0.11327%0.267CS..Hα-helixtrans-50.6-49175.4-16678.2-115.600112.5S759 I765 L766 E767 R799 L800 T803S759-M763 WeakPolarHBondContact O-CB 3.4Å; S759-M763 PolarHBondContact O-N 3.42Å; M763-I765 VanDerWaalsContact C-N 3.29Å; M763-I765 PolarHBondContact O-N 3.27Å; M763-L766 PolarHBondContact O-N 2.97Å; M763-E767 HydrophobicContact CE-CG 3.75Å; M763-E767 WeakPolarHBondContact O-CB 3.36Å; M763-E767 WeakPolarHBondContact O-CG 3.4Å; M763-E767 PolarHBondContact O-N 2.86Å; M763-R799 HydrophobicContact CE-CG 3.81Å; M763-R799 HydrophobicContact SD-CB 4.18Å; M763-R799 HydrophobicContact SD-CG 3.82Å; M763-L800 HydrophobicContact SD-CB 4.37Å; M763-T803 HydrophobicContact CE-CG2 3.43Å; M763-T803 VanDerWaalsContact CE-CG2 3.43Å; M763-T803 VanDerWaalsContact CE-OG1 3.22Å; M763-T803 WeakPolarHBondContact CE-OG1 3.46Å
764R86.2Confident83.9Confident180 Ų18048.8 Ų48.868%0.67925%0.252SS*.Hα-helixtrans-64.2-29.2178.6-72177.3-179.8-176.11113.9P760 R761 L762 H768P760-R764 WeakPolarHBondContact O-CG 3.35Å; P760-R764 PolarHBondContact O-N 3.01Å; R761-R764 PolarHBondContact O-N 3.24Å; L762-R764 VanDerWaalsContact C-N 3.33Å; L762-R764 PolarHBondContact O-N 3.34Å; R764-H768 WeakPolarHBondContact O-CB 3.49Å; R764-H768 PolarHBondContact O-N 3.43Å
765I87.8Confident83.7Confident2 Ų243.3 Ų43.31%0.0123%0.233CC..Hα-helixtrans-75.1-48175.1-61.5166.8000109.1Y743 L748 A751 R761 L762 M763 E767 H768 L769Y743-I765 HydrophobicContact CD1-CD1 4.5Å; Y743-I765 HydrophobicContact CD1-CG1 4.05Å; Y743-I765 HydrophobicContact CD2-CB 4.25Å; Y743-I765 HydrophobicContact CD2-CG1 4.03Å; Y743-I765 HydrophobicContact CD2-CG2 3.91Å; Y743-I765 HydrophobicContact CE1-CG1 4.08Å; Y743-I765 HydrophobicContact CE2-CB 4.42Å; Y743-I765 HydrophobicContact CE2-CG1 4.05Å; Y743-I765 HydrophobicContact CG-CG1 4.02Å; Y743-I765 HydrophobicContact CG-CG2 4.08Å; L748-I765 HydrophobicContact CD1-CG2 3.85Å; A751-I765 HydrophobicContact CB-CD1 4.11Å; R761-I765 HydrophobicContact CG-CD1 4.38Å; R761-I765 WeakPolarHBondContact O-CG1 3.19Å; R761-I765 PolarHBondContact O-N 3.35Å; L762-I765 PolarHBondContact O-N 3.06Å; M763-I765 VanDerWaalsContact C-N 3.29Å; M763-I765 PolarHBondContact O-N 3.27Å; I765-E767 PolarHBondContact O-N 2.9Å; I765-H768 PolarHBondContact O-N 3.29Å; I765-L769 HydrophobicContact CG2-CD1 4.29Å; I765-L769 WeakPolarHBondContact O-CG 3.47Å; I765-L769 PolarHBondContact O-N 2.8Å
766L88.3Confident83.8Confident0 Ų045.6 Ų45.60%025%0.245CC..Hα-helixtrans-61.9-43.4178.9-60-178.2000112.1L748 F752 L762 M763 H768 L769 T770 L784 L800 L807L748-L766 HydrophobicContact CD1-CD2 4.09Å; F752-L766 HydrophobicContact CZ-CD2 4.45Å; L762-L766 HydrophobicContact CD1-CD1 4.27Å; L762-L766 HydrophobicContact CD1-CD2 4.15Å; L762-L766 HydrophobicContact CD1-CG 3.99Å; L762-L766 HydrophobicContact CG-CD1 4.19Å; L762-L766 HydrophobicContact CG-CG 4.34Å; L762-L766 WeakPolarHBondContact O-CG 3.38Å; L762-L766 PolarHBondContact O-N 3.3Å; M763-L766 PolarHBondContact O-N 2.97Å; L766-H768 VanDerWaalsContact C-N 3.33Å; L766-H768 PolarHBondContact O-N 3.42Å; L766-L769 HydrophobicContact CD2-CD1 4.37Å; L766-L769 WeakPolarHBondContact O-CB 3.34Å; L766-L769 PolarHBondContact O-N 3.24Å; L766-L769 VanDerWaalsContact O-N 3.14Å; L766-T770 WeakPolarHBondContact O-CG2 3.3Å; L766-T770 PolarHBondContact O-N 3.32Å; L766-L784 HydrophobicContact CD2-CD2 3.7Å; L766-L800 HydrophobicContact CD1-CD2 3.65Å; L766-L800 HydrophobicContact CD1-CG 3.95Å; L766-L807 HydrophobicContact CB-CD1 4.05Å; L766-L807 HydrophobicContact CD2-CD1 3.76Å; L766-L807 HydrophobicContact CG-CD1 4.42Å
767E87.3Confident84.5Confident61 Ų6143 Ų4329%0.28523%0.228SC..Hα-helixtrans-60.6-40.7175.6-73.1176.3160.500111.7M763 I765 T770 R799M763-E767 HydrophobicContact CE-CG 3.75Å; M763-E767 WeakPolarHBondContact O-CB 3.36Å; M763-E767 WeakPolarHBondContact O-CG 3.4Å; M763-E767 PolarHBondContact O-N 2.86Å; I765-E767 PolarHBondContact O-N 2.9Å; E767-T770 PolarHBondContact O-N 3.3Å; E767-T770 PolarHBondContact O-OG1 3.3Å; E767-R799 IonicContact OE1-CZ 3.37Å; E767-R799 VanDerWaalsContact OE1-CZ 3.25Å; E767-R799 IonicContact OE1-NE 3.72Å; E767-R799 PolarHBondContact OE1-NE 2.93Å; E767-R799 IonicContact OE1-NH2 3.79Å; E767-R799 PolarHBondContact OE1-NH2 3.05Å
768H86.3Confident84.7Confident28 Ų2840.5 Ų40.513%0.1321%0.206CC..Hα-helixtrans-64.9-38.8173.7-174.979.1000112.6L736 R742 Y743 R764 I765 L766 T770 L771L736-H768 WeakPolarHBondContact CD2-CE1 3.19Å; R742-H768 PolarHBondContact N-NE2 3.07Å; Y743-H768 HydrophobicContact CD2-CB 4.36Å; Y743-H768 AromaticContact CD2-CD2 3.86Å; Y743-H768 HydrophobicContact CE2-CB 3.92Å; Y743-H768 AromaticContact CE2-CG 3.98Å; R764-H768 WeakPolarHBondContact O-CB 3.49Å; R764-H768 PolarHBondContact O-N 3.43Å; I765-H768 PolarHBondContact O-N 3.29Å; L766-H768 VanDerWaalsContact C-N 3.33Å; L766-H768 PolarHBondContact O-N 3.42Å; H768-T770 VanDerWaalsContact C-N 3.35Å; H768-L771 PolarHBondContact O-N 3.43Å
769L86.4Confident84.8Confident0 Ų043.3 Ų43.30%022%0.223CC..Hα-helixtrans-63.7-37.5174.6-67.4174.9000111.8L748 I765 L766 L771 L772 L777 Y780 L807L748-L769 HydrophobicContact CD2-CD1 4.12Å; I765-L769 HydrophobicContact CG2-CD1 4.29Å; I765-L769 WeakPolarHBondContact O-CG 3.47Å; I765-L769 PolarHBondContact O-N 2.8Å; L766-L769 HydrophobicContact CD2-CD1 4.37Å; L766-L769 WeakPolarHBondContact O-CB 3.34Å; L766-L769 PolarHBondContact O-N 3.24Å; L766-L769 VanDerWaalsContact O-N 3.14Å; L769-L771 PolarHBondContact O-N 2.96Å; L769-L772 HydrophobicContact CD2-CD1 3.6Å; L769-L772 WeakPolarHBondContact O-CB 3.38Å; L769-L772 PolarHBondContact O-N 2.93Å; L769-L777 HydrophobicContact CB-CD2 4.01Å; L769-L777 HydrophobicContact CD2-CD2 4.34Å; L769-Y780 HydrophobicContact CD1-CD1 4.46Å; L769-Y780 HydrophobicContact CD1-CG 4.47Å; L769-Y780 HydrophobicContact CD2-CD1 4.02Å; L769-Y780 HydrophobicContact CD2-CD2 3.94Å; L769-Y780 HydrophobicContact CD2-CE1 4.15Å; L769-Y780 HydrophobicContact CD2-CE2 4.1Å; L769-Y780 HydrophobicContact CD2-CG 3.92Å; L769-L807 HydrophobicContact CB-CD1 4.16Å; L769-L807 HydrophobicContact CB-CD2 3.8Å; L769-L807 HydrophobicContact CD1-CD1 4.48Å
770T86.9Confident85Confident34 Ų3443.9 Ų43.921%0.20922%0.224CC..THydrogen-bonded Turntrans-64.8-7.1179.460.50000115L766 E767 H768 L807L766-T770 WeakPolarHBondContact O-CG2 3.3Å; L766-T770 PolarHBondContact O-N 3.32Å; E767-T770 PolarHBondContact O-N 3.3Å; E767-T770 PolarHBondContact O-OG1 3.3Å; H768-T770 VanDerWaalsContact C-N 3.35Å; T770-L807 HydrophobicContact CG2-CD1 4.31Å; T770-L807 HydrophobicContact CG2-CD2 3.7Å; T770-L807 HydrophobicContact CG2-CG 3.72Å
771L86Confident85.1Confident26 Ų2639.4 Ų39.414%0.13620%0.195CC..THydrogen-bonded Turntrans-94.8-15.4174.9-63.7167.5000113.4L731 R732 M735 L736 H768 L769L731-L771 HydrophobicContact CB-CD2 4.14Å; R732-L771 WeakPolarHBondContact CG-O 3.45Å; R732-L771 PolarHBondContact NE-O 2.88Å; M735-L771 HydrophobicContact CB-CD1 3.62Å; M735-L771 HydrophobicContact CG-CD1 4.21Å; L736-L771 HydrophobicContact CD1-CB 4.1Å; L736-L771 HydrophobicContact CD2-CB 4.27Å; L736-L771 HydrophobicContact CD2-CD1 4.34Å; L736-L771 HydrophobicContact CG-CB 4.17Å; H768-L771 PolarHBondContact O-N 3.43Å; L769-L771 PolarHBondContact O-N 2.96Å
772L84.2Confident85.1Confident7 Ų737.5 Ų37.54%0.03719%0.192CC..SBendtrans-69.8169.7-179.4-62.6178.9000111.9R732 L736 C741 L769 D776 L777 Y780R732-L772 PolarHBondContact NH2-O 2.87Å; L736-L772 HydrophobicContact CD1-CD2 3.96Å; C741-L772 HydrophobicContact CB-CD1 3.93Å; C741-L772 HydrophobicContact CB-CD2 4.31Å; L769-L772 HydrophobicContact CD2-CD1 3.6Å; L769-L772 WeakPolarHBondContact O-CB 3.38Å; L769-L772 PolarHBondContact O-N 2.93Å; L772-D776 HydrophobicContact CB-CB 4.07Å; L772-D776 HydrophobicContact CD1-CB 4.49Å; L772-L777 HydrophobicContact CB-CD2 4.25Å; L772-L777 HydrophobicContact CB-CG 4.43Å; L772-L777 HydrophobicContact CD1-CD2 4.11Å; L772-Y780 HydrophobicContact CD1-CE2 4.46Å
773S80.9Confident85Confident35 Ų3537.8 Ų37.825%0.24519%0.194CC..  trans-76.5155.3167.582.80000110.7G775 D776 L777S773-G775 PolarHBondContact O-N 3.21Å; S773-G775 PolarHBondContact OG-N 3.4Å; S773-D776 VanDerWaalsContact CB-OD2 3.23Å; S773-D776 WeakPolarHBondContact CB-OD2 3.14Å; S773-D776 PolarHBondContact N-OD2 3.43Å; S773-D776 PolarHBondContact O-N 2.97Å; S773-D776 PolarHBondContact OG-N 3.33Å; S773-D776 PolarHBondContact OG-OD2 3.24Å; S773-L777 PolarHBondContact O-N 2.92Å
774P78.1Confident85Confident37 Ų3737 Ų3724%0.2419%0.19CC..THydrogen-bonded Turntrans-52.4-38.5174.1-3038000113.4L777 G810 V814P774-L777 WeakPolarHBondContact O-CB 3.49Å; P774-L777 PolarHBondContact O-N 2.66Å; P774-G810 WeakPolarHBondContact CB-O 3.47Å; P774-V814 HydrophobicContact CB-CG2 3.25Å
775G77.2Confident85Confident17 Ų1728.7 Ų28.718%0.17516%0.16CC..G310 helixtrans-66.2-36.6176.300000113.8S773 L777 I778S773-G775 PolarHBondContact O-N 3.21Å; S773-G775 PolarHBondContact OG-N 3.4Å; G775-L777 PolarHBondContact O-N 3.2Å; G775-I778 WeakPolarHBondContact O-CD1 3.42Å; G775-I778 VanDerWaalsContact O-CG1 3.3Å; G775-I778 WeakPolarHBondContact O-CG1 3.26Å; G775-I778 PolarHBondContact O-N 3.49Å
776D81.6Confident84.8Confident69 Ų6931.6 Ų31.637%0.36918%0.183SC..G310 helixtrans-71.2-15.9177.2-60.8-56.6000112.9L772 S773 P779L772-D776 HydrophobicContact CB-CB 4.07Å; L772-D776 HydrophobicContact CD1-CB 4.49Å; S773-D776 VanDerWaalsContact CB-OD2 3.23Å; S773-D776 WeakPolarHBondContact CB-OD2 3.14Å; S773-D776 PolarHBondContact N-OD2 3.43Å; S773-D776 PolarHBondContact O-N 2.97Å; S773-D776 PolarHBondContact OG-N 3.33Å; S773-D776 PolarHBondContact OG-OD2 3.24Å; D776-P779 WeakPolarHBondContact O-CD 3.48Å
777L84.4Confident84.6Confident8 Ų831.6 Ų31.64%0.04218%0.183CC..G310 helixtrans-78.9-19.2176.7-68.9174.7000113.4L769 L772 S773 P774 G775 P779 Y780 A781 L807 L811L769-L777 HydrophobicContact CB-CD2 4.01Å; L769-L777 HydrophobicContact CD2-CD2 4.34Å; L772-L777 HydrophobicContact CB-CD2 4.25Å; L772-L777 HydrophobicContact CB-CG 4.43Å; L772-L777 HydrophobicContact CD1-CD2 4.11Å; S773-L777 PolarHBondContact O-N 2.92Å; P774-L777 WeakPolarHBondContact O-CB 3.49Å; P774-L777 PolarHBondContact O-N 2.66Å; G775-L777 PolarHBondContact O-N 3.2Å; L777-P779 VanDerWaalsContact C-CD 3.44Å; L777-P779 VanDerWaalsContact C-N 3.35Å; L777-Y780 PolarHBondContact O-N 3.33Å; L777-A781 PolarHBondContact O-N 3.28Å; L777-L807 HydrophobicContact CD1-CD2 4.08Å; L777-L807 HydrophobicContact CD2-CD2 3.95Å; L777-L811 HydrophobicContact CB-CD2 3.58Å; L777-L811 HydrophobicContact CB-CG 4.06Å
778I83.9Confident84.4Confident53 Ų5328.8 Ų28.827%0.27217%0.171SC..G310 helixtrans-47.6-46.7-176.3-65.2170.6000113.3G775 Y780 A781 V814 M815G775-I778 WeakPolarHBondContact O-CD1 3.42Å; G775-I778 VanDerWaalsContact O-CG1 3.3Å; G775-I778 WeakPolarHBondContact O-CG1 3.26Å; G775-I778 PolarHBondContact O-N 3.49Å; I778-Y780 PolarHBondContact O-N 3.38Å; I778-A781 WeakPolarHBondContact O-CB 2.96Å; I778-A781 PolarHBondContact O-N 2.93Å; I778-V814 HydrophobicContact CD1-CG1 3.59Å; I778-V814 HydrophobicContact CG1-CG1 3.64Å; I778-M815 HydrophobicContact CB-CE 4.22Å; I778-M815 HydrophobicContact CG1-CE 4.29Å; I778-M815 HydrophobicContact CG1-SD 4.35Å; I778-M815 HydrophobicContact CG2-CE 3.93Å; I778-M815 HydrophobicContact CG2-SD 3.99Å
779P84.1Confident84.2Confident73 Ų7329.1 Ų29.147%0.47418%0.178SC..G310 helixtrans-68.7-16.3-178.9-19.334.2000114.7D776 L777D776-P779 WeakPolarHBondContact O-CD 3.48Å; L777-P779 VanDerWaalsContact C-CD 3.44Å; L777-P779 VanDerWaalsContact C-N 3.35Å
780Y86.9Confident84Confident29 Ų2931.9 Ų31.911%0.11419%0.193CC..G310 helixtrans-93.8-17.8-179-59.9-83.1000112.8C741 Y743 L748 L769 L772 L777 I778 E782 A783 L784C741-Y780 HydrophobicContact CB-CE2 4.33Å; C741-Y780 VanDerWaalsContact CB-OH 3.28Å; C741-Y780 WeakPolarHBondContact CB-OH 3.4Å; C741-Y780 PolarHBondContact SG-OH 3.2Å; Y743-Y780 WeakPolarHBondContact O-CE1 3.26Å; Y743-Y780 PolarHBondContact O-OH 3.44Å; L748-Y780 HydrophobicContact CD2-CD1 4.07Å; L769-Y780 HydrophobicContact CD1-CD1 4.46Å; L769-Y780 HydrophobicContact CD1-CG 4.47Å; L769-Y780 HydrophobicContact CD2-CD1 4.02Å; L769-Y780 HydrophobicContact CD2-CD2 3.94Å; L769-Y780 HydrophobicContact CD2-CE1 4.15Å; L769-Y780 HydrophobicContact CD2-CE2 4.1Å; L769-Y780 HydrophobicContact CD2-CG 3.92Å; L772-Y780 HydrophobicContact CD1-CE2 4.46Å; L777-Y780 PolarHBondContact O-N 3.33Å; I778-Y780 PolarHBondContact O-N 3.38Å; Y780-E782 VanDerWaalsContact C-N 3.3Å; Y780-E782 PolarHBondContact O-N 3.14Å; Y780-A783 PolarHBondContact O-N 3.47Å; Y780-A783 VanDerWaalsContact O-N 3.12Å; Y780-L784 WeakPolarHBondContact O-CG 3.32Å; Y780-L784 PolarHBondContact O-N 3.04Å
781A87.3Confident83.8Confident1 Ų130.5 Ų30.51%0.00818%0.184CC..Hα-helixtrans-51.6-46.6-175.200000112.5L777 I778 A783 L784 T785 L811 M815L777-A781 PolarHBondContact O-N 3.28Å; I778-A781 WeakPolarHBondContact O-CB 2.96Å; I778-A781 PolarHBondContact O-N 2.93Å; A781-A783 PolarHBondContact O-N 2.88Å; A781-L784 WeakPolarHBondContact O-CB 3.5Å; A781-L784 PolarHBondContact O-N 2.91Å; A781-T785 WeakPolarHBondContact O-CG2 3.21Å; A781-T785 PolarHBondContact O-N 2.92Å; A781-T785 PolarHBondContact O-OG1 3.42Å; A781-L811 HydrophobicContact CB-CD1 3.79Å; A781-L811 HydrophobicContact CB-CD2 4.03Å; A781-M815 HydrophobicContact CB-CE 3.31Å
782E86.9Confident83.6Confident105 Ų10530.1 Ų30.149%0.49118%0.182SC..Hα-helixtrans-64.2-40.3-179.3-172.4174.3-17500113.6Y780 L784 T785 A786 M822Y780-E782 VanDerWaalsContact C-N 3.3Å; Y780-E782 PolarHBondContact O-N 3.14Å; E782-L784 VanDerWaalsContact C-N 3.34Å; E782-T785 PolarHBondContact O-OG1 3.49Å; E782-A786 WeakPolarHBondContact O-CB 3.44Å; E782-A786 PolarHBondContact O-N 3.21Å; E782-M822 HydrophobicContact CB-CE 3.6Å; E782-M822 HydrophobicContact CG-CE 4.04Å
783A85.9Confident83.5Confident5 Ų533.7 Ų33.74%0.04120%0.199CC..Hα-helixtrans-72.4-28.2175.800000112.6Q745 L748 H749 Y780 A781 S787Q745-A783 HydrophobicContact CG-CB 3.68Å; L748-A783 HydrophobicContact CD2-CB 3.98Å; L748-A783 HydrophobicContact CG-CB 4.35Å; H749-A783 HydrophobicContact CB-CB 4.46Å; Y780-A783 PolarHBondContact O-N 3.47Å; Y780-A783 VanDerWaalsContact O-N 3.12Å; A781-A783 PolarHBondContact O-N 2.88Å; A783-S787 WeakPolarHBondContact O-CB 3.41Å; A783-S787 PolarHBondContact O-OG 3.09Å
784L87.9Confident83.2Confident8 Ų838 Ų384%0.04223%0.225CC..Hα-helixtrans-71.9-53.6172.6-68.7167.8000110.9L748 F752 L766 Y780 A781 E782 S787 T788 L804 L807 L811L748-L784 HydrophobicContact CD2-CD2 3.98Å; L748-L784 HydrophobicContact CD2-CG 4.07Å; F752-L784 HydrophobicContact CE2-CD2 4.21Å; F752-L784 HydrophobicContact CZ-CD2 4.09Å; L766-L784 HydrophobicContact CD2-CD2 3.7Å; Y780-L784 WeakPolarHBondContact O-CG 3.32Å; Y780-L784 PolarHBondContact O-N 3.04Å; A781-L784 WeakPolarHBondContact O-CB 3.5Å; A781-L784 PolarHBondContact O-N 2.91Å; E782-L784 VanDerWaalsContact C-N 3.34Å; L784-S787 PolarHBondContact O-N 3.23Å; L784-T788 PolarHBondContact O-N 2.94Å; L784-L804 HydrophobicContact CD2-CD1 4.15Å; L784-L807 HydrophobicContact CD1-CB 4.46Å; L784-L807 HydrophobicContact CD2-CD1 4.38Å; L784-L811 HydrophobicContact CD1-CD1 3.95Å
785T86.7Confident83.1Confident5 Ų539.4 Ų39.43%0.03125%0.247CC..Hα-helixtrans-66.1-47.4-17658.50000112.1A781 E782 S787 T788 L819 M822 T823 A826A781-T785 WeakPolarHBondContact O-CG2 3.21Å; A781-T785 PolarHBondContact O-N 2.92Å; A781-T785 PolarHBondContact O-OG1 3.42Å; E782-T785 PolarHBondContact O-OG1 3.49Å; T785-S787 PolarHBondContact O-N 3.07Å; T785-T788 PolarHBondContact O-N 2.89Å; T785-T788 PolarHBondContact O-OG1 3.3Å; T785-L819 HydrophobicContact CG2-CD1 3.78Å; T785-M822 HydrophobicContact CG2-CB 4.11Å; T785-T823 HydrophobicContact CG2-CG2 3.72Å; T785-A826 WeakPolarHBondContact O-CB 3.36Å
786A84.3Confident83.5Confident62 Ų6239.7 Ų39.751%0.51225%0.245SC..THydrogen-bonded Turntrans-65.4-8.4-179.200000113.9E782E782-A786 WeakPolarHBondContact O-CB 3.44Å; E782-A786 PolarHBondContact O-N 3.21Å
787S82.3Confident83.8Confident0 Ų039 Ų390%025%0.245CC..THydrogen-bonded Turntrans-110.2-0-179.3-480000113.9H749 F752 A783 L784 T785 A789 L790H749-S787 PolarHBondContact ND1-OG 3.3Å; F752-S787 VanDerWaalsContact CD2-CB 3.45Å; F752-S787 WeakPolarHBondContact CD2-OG 3.46Å; A783-S787 WeakPolarHBondContact O-CB 3.41Å; A783-S787 PolarHBondContact O-OG 3.09Å; L784-S787 PolarHBondContact O-N 3.23Å; T785-S787 PolarHBondContact O-N 3.07Å; S787-A789 PolarHBondContact O-N 3.48Å; S787-L790 WeakPolarHBondContact O-CB 3.38Å; S787-L790 PolarHBondContact O-N 2.8Å
788T83.6Confident83.9Confident3 Ų342 Ų422%0.01826%0.256CS..G310 helixtrans-63.7-38.9-176.753.60000113.1L784 T785 L790 L791 L804 L827L784-T788 PolarHBondContact O-N 2.94Å; T785-T788 PolarHBondContact O-N 2.89Å; T785-T788 PolarHBondContact O-OG1 3.3Å; T788-L790 PolarHBondContact O-N 2.89Å; T788-L791 VanDerWaalsContact O-CB 3.3Å; T788-L791 WeakPolarHBondContact O-CB 3.47Å; T788-L791 PolarHBondContact O-N 3.07Å; T788-L804 HydrophobicContact CG2-CD2 4.03Å; T788-L827 WeakPolarHBondContact OG1-CD2 3.43Å
789A82.6Confident84.2Confident35 Ų3546.7 Ų46.729%0.28927%0.27SS..G310 helixtrans-62-26.2179.300000113.5S787 L791 L792S787-A789 PolarHBondContact O-N 3.48Å; A789-L791 PolarHBondContact O-N 3.06Å; A789-L792 PolarHBondContact O-N 3.34Å
790L82.7Confident84.4Confident57 Ų5743.2 Ų43.230%0.29825%0.247SC..G310 helixtrans-72.3-14.1174.4-58.8176.1000112.7F752 S787 T788 L792F752-L790 HydrophobicContact CB-CD1 4.35Å; S787-L790 WeakPolarHBondContact O-CB 3.38Å; S787-L790 PolarHBondContact O-N 2.8Å; T788-L790 PolarHBondContact O-N 2.89Å; L790-L792 VanDerWaalsContact C-N 3.31Å
791L82.6Confident84.6Confident5 Ų542.6 Ų42.63%0.02625%0.246CC..G310 helixtrans-84.6-5.8175.7-57-179.4000113.3F752 L755 T788 A789 E793 V796 L800 L801 L804F752-L791 HydrophobicContact CD1-CD2 4.23Å; F752-L791 HydrophobicContact CE1-CD1 4.22Å; F752-L791 HydrophobicContact CE1-CD2 4.08Å; F752-L791 HydrophobicContact CE1-CG 4.35Å; L755-L791 HydrophobicContact CD1-CD2 3.53Å; T788-L791 VanDerWaalsContact O-CB 3.3Å; T788-L791 WeakPolarHBondContact O-CB 3.47Å; T788-L791 PolarHBondContact O-N 3.07Å; A789-L791 PolarHBondContact O-N 3.06Å; L791-E793 VanDerWaalsContact C-N 3.26Å; L791-V796 HydrophobicContact CD2-CG1 4.13Å; L791-L800 HydrophobicContact CD1-CD2 4.06Å; L791-L800 HydrophobicContact CD2-CD2 3.73Å; L791-L801 HydrophobicContact CB-CD2 3.78Å; L791-L801 HydrophobicContact CD1-CD2 4.19Å; L791-L804 HydrophobicContact CD1-CB 4.48Å; L791-L804 HydrophobicContact CD1-CD1 3.89Å; L791-L804 HydrophobicContact CD1-CD2 4.27Å; L791-L804 HydrophobicContact CD1-CG 4.43Å
792L82.2Confident84.8Confident19 Ų1947.6 Ų47.610%0.09927%0.269CS..G310 helixtrans-87.810.2173.2-62169.9000112.5A789 L790 D855 R857 V858 C861 L864A789-L792 PolarHBondContact O-N 3.34Å; L790-L792 VanDerWaalsContact C-N 3.31Å; L792-D855 HydrophobicContact CD1-CB 4.23Å; L792-R857 HydrophobicContact CB-CB 4.31Å; L792-R857 HydrophobicContact CD1-CB 4.35Å; L792-R857 HydrophobicContact CD2-CB 4.08Å; L792-R857 HydrophobicContact CG-CB 4.49Å; L792-R857 PolarHBondContact O-NH1 3.24Å; L792-V858 HydrophobicContact CD1-CG2 3.87Å; L792-V858 HydrophobicContact CD2-CG2 4.12Å; L792-C861 HydrophobicContact CD2-CB 4.16Å; L792-L864 HydrophobicContact CD2-CD1 3.65Å; L792-L864 HydrophobicContact CG-CD1 4.12Å
793E81.6Confident84.9Confident82 Ų8243.5 Ų43.538%0.38325%0.251SS..SBendtrans-82.9143.1174.1-68.3-171.2176.400111.7L791 G795 V796L791-E793 VanDerWaalsContact C-N 3.26Å; E793-G795 PolarHBondContact O-N 3.44Å; E793-V796 WeakPolarHBondContact O-CG2 3.24Å
794P74.3Confident85.2Confident124 Ų12443.5 Ų43.581%0.80525%0.251SS*.THydrogen-bonded Turntrans-64.8131.6-17926.5-34.2000111.7
795G76.8Confident85.4Confident68 Ų6844.1 Ų44.170%0.70125%0.254SS*.THydrogen-bonded Turntrans102.32.8178.900000115.7E793E793-G795 PolarHBondContact O-N 3.44Å
796V84.9Confident85.5Confident22 Ų2250 Ų5013%0.13328%0.279CS..  trans-71.4130.3172.81740000110.8L791 E793 L801L791-V796 HydrophobicContact CD2-CG1 4.13Å; E793-V796 WeakPolarHBondContact O-CG2 3.24Å; V796-L801 HydrophobicContact CG1-CG 4.39Å
797P87.3Confident85.8Confident56 Ų5647.2 Ų47.236%0.36426%0.255SS..  trans-78.3134-175.629.3-34.3000113.1R799 L800P797-R799 VanDerWaalsContact C-N 3.29Å; P797-R799 PolarHBondContact O-N 2.86Å; P797-R799 VanDerWaalsContact O-N 3.09Å; P797-L800 HydrophobicContact CG-CB 4.26Å; P797-L800 HydrophobicContact CG-CD1 4.44Å; P797-L800 VanDerWaalsContact O-CB 3.25Å; P797-L800 WeakPolarHBondContact O-CB 3.22Å; P797-L800 PolarHBondContact O-N 2.54Å
798R87.7Confident86.3Confident70 Ų7047.6 Ų47.626%0.26426%0.257SS..Hα-helixtrans-51-36.7-175.2-176.955172.9-112.8-3.8115.7L800 L801 Q802 D988 E991R798-L800 PolarHBondContact O-N 3.25Å; R798-L801 PolarHBondContact O-N 3.49Å; R798-Q802 HydrophobicContact CG-CG 4.49Å; R798-Q802 WeakPolarHBondContact O-CG 3.28Å; R798-Q802 PolarHBondContact O-N 3.06Å; R798-D988 IonicContact CZ-OD1 2.6Å; R798-D988 IonicContact NH1-OD1 2.85Å; R798-D988 PolarHBondContact NH1-OD1 2.89Å; R798-E991 IonicContact CZ-OE1 3.66Å; R798-E991 IonicContact CZ-OE2 2.97Å; R798-E991 VanDerWaalsContact NH2-CD 3.3Å; R798-E991 IonicContact NH2-OE1 3.76Å; R798-E991 PolarHBondContact NH2-OE1 3.14Å; R798-E991 IonicContact NH2-OE2 2.68Å; R798-E991 PolarHBondContact NH2-OE2 3.42Å
799R89.2Confident86.7Confident151 Ų15149.4 Ų49.457%0.5727%0.266SS*.Hα-helixtrans-56.7-35.7176.8-172-172.6176.289-4.9112.4M763 E767 P797 Q802 T803M763-R799 HydrophobicContact CE-CG 3.81Å; M763-R799 HydrophobicContact SD-CB 4.18Å; M763-R799 HydrophobicContact SD-CG 3.82Å; E767-R799 IonicContact OE1-CZ 3.37Å; E767-R799 VanDerWaalsContact OE1-CZ 3.25Å; E767-R799 IonicContact OE1-NE 3.72Å; E767-R799 PolarHBondContact OE1-NE 2.93Å; E767-R799 IonicContact OE1-NH2 3.79Å; E767-R799 PolarHBondContact OE1-NH2 3.05Å; P797-R799 VanDerWaalsContact C-N 3.29Å; P797-R799 PolarHBondContact O-N 2.86Å; P797-R799 VanDerWaalsContact O-N 3.09Å; R799-Q802 PolarHBondContact O-N 2.98Å; R799-T803 PolarHBondContact O-N 2.8Å; R799-T803 PolarHBondContact O-OG1 2.98Å
800L89.8Confident86.9Confident0 Ų048.7 Ų48.70%026%0.262CS..Hα-helixtrans-67.6-48.8-178.6-162.6168000110.2L755 L762 M763 L766 L791 P797 R798 Q802 T803 L804L755-L800 HydrophobicContact CD2-CD1 4.37Å; L762-L800 HydrophobicContact CD2-CD1 3.96Å; L762-L800 HydrophobicContact CD2-CD2 4.32Å; L762-L800 HydrophobicContact CG-CD1 4.18Å; M763-L800 HydrophobicContact SD-CB 4.37Å; L766-L800 HydrophobicContact CD1-CD2 3.65Å; L766-L800 HydrophobicContact CD1-CG 3.95Å; L791-L800 HydrophobicContact CD1-CD2 4.06Å; L791-L800 HydrophobicContact CD2-CD2 3.73Å; P797-L800 HydrophobicContact CG-CB 4.26Å; P797-L800 HydrophobicContact CG-CD1 4.44Å; P797-L800 VanDerWaalsContact O-CB 3.25Å; P797-L800 WeakPolarHBondContact O-CB 3.22Å; P797-L800 PolarHBondContact O-N 2.54Å; R798-L800 PolarHBondContact O-N 3.25Å; L800-Q802 VanDerWaalsContact C-N 3.33Å; L800-Q802 PolarHBondContact O-N 2.87Å; L800-T803 PolarHBondContact O-N 2.65Å; L800-T803 PolarHBondContact O-OG1 3.42Å; L800-L804 PolarHBondContact O-N 2.69Å
801L89.8Confident87.2Confident16 Ų1646.1 Ų46.18%0.08425%0.248CC..Hα-helixtrans-55.9-46.1173.7-65.4167.3000111.5L791 V796 R798 T803 L804 N805 P863 L864L791-L801 HydrophobicContact CB-CD2 3.78Å; L791-L801 HydrophobicContact CD1-CD2 4.19Å; V796-L801 HydrophobicContact CG1-CG 4.39Å; R798-L801 PolarHBondContact O-N 3.49Å; L801-T803 PolarHBondContact O-N 3.48Å; L801-L804 PolarHBondContact O-N 2.86Å; L801-N805 PolarHBondContact O-N 3.13Å; L801-P863 HydrophobicContact CB-CB 4.08Å; L801-P863 HydrophobicContact CB-CG 3.96Å; L801-L864 HydrophobicContact CD2-CD1 4.38Å; L801-L864 HydrophobicContact CD2-CG 4.45Å
802Q90.8Very high87.6Confident106 Ų10645.9 Ų45.950%0.49525%0.247SC..Hα-helixtrans-61.5-42.7176.8-71.7170.9-36.900112.6R798 R799 L800 N805 K806 P863R798-Q802 HydrophobicContact CG-CG 4.49Å; R798-Q802 WeakPolarHBondContact O-CG 3.28Å; R798-Q802 PolarHBondContact O-N 3.06Å; R799-Q802 PolarHBondContact O-N 2.98Å; L800-Q802 VanDerWaalsContact C-N 3.33Å; L800-Q802 PolarHBondContact O-N 2.87Å; Q802-N805 PolarHBondContact O-N 3.24Å; Q802-K806 PolarHBondContact O-N 3.4Å; Q802-P863 HydrophobicContact CG-CG 4.42Å
803T91Very high87.7Confident20 Ų2045.2 Ų45.212%0.12324%0.244CC..Hα-helixtrans-69.8-31.8175.249.10000113.7M763 R799 L800 L801 K806 L807M763-T803 HydrophobicContact CE-CG2 3.43Å; M763-T803 VanDerWaalsContact CE-CG2 3.43Å; M763-T803 VanDerWaalsContact CE-OG1 3.22Å; M763-T803 WeakPolarHBondContact CE-OG1 3.46Å; R799-T803 PolarHBondContact O-N 2.8Å; R799-T803 PolarHBondContact O-OG1 2.98Å; L800-T803 PolarHBondContact O-N 2.65Å; L800-T803 PolarHBondContact O-OG1 3.42Å; L801-T803 PolarHBondContact O-N 3.48Å; T803-K806 PolarHBondContact O-N 3.01Å; T803-L807 WeakPolarHBondContact O-CG 3.49Å; T803-L807 PolarHBondContact O-N 3.04Å
804L90.9Very high87.8Confident5 Ų541.5 Ų41.53%0.02623%0.227CC..Hα-helixtrans-69.3-41.2174.1-177.2126.3000111.1F752 L784 T788 L791 L800 L801 K806 L807 W808 L864 I867F752-L804 HydrophobicContact CE1-CD1 4.34Å; F752-L804 HydrophobicContact CZ-CD1 4.02Å; L784-L804 HydrophobicContact CD2-CD1 4.15Å; T788-L804 HydrophobicContact CG2-CD2 4.03Å; L791-L804 HydrophobicContact CD1-CB 4.48Å; L791-L804 HydrophobicContact CD1-CD1 3.89Å; L791-L804 HydrophobicContact CD1-CD2 4.27Å; L791-L804 HydrophobicContact CD1-CG 4.43Å; L800-L804 PolarHBondContact O-N 2.69Å; L801-L804 PolarHBondContact O-N 2.86Å; L804-K806 PolarHBondContact O-N 3.11Å; L804-L807 PolarHBondContact O-N 3.4Å; L804-L807 VanDerWaalsContact O-N 3.16Å; L804-W808 PolarHBondContact O-N 3.08Å; L804-L864 HydrophobicContact CD2-CD2 4.13Å; L804-I867 HydrophobicContact CD2-CD1 4.49Å
805N91.8Very high88.4Confident21 Ų2136.3 Ų36.311%0.11219%0.192CC..Hα-helixtrans-59.3-46.5172.9-172.715.6000111.3L801 Q802 L807 W808 M809 P863 D866 I867L801-N805 PolarHBondContact O-N 3.13Å; Q802-N805 PolarHBondContact O-N 3.24Å; N805-L807 VanDerWaalsContact C-N 3.28Å; N805-L807 PolarHBondContact O-N 2.95Å; N805-W808 PolarHBondContact O-N 3.14Å; N805-M809 WeakPolarHBondContact O-CG 3.33Å; N805-M809 PolarHBondContact O-N 3.11Å; N805-P863 HydrophobicContact CB-CB 4.12Å; N805-D866 PolarHBondContact ND2-OD2 3.37Å; N805-I867 HydrophobicContact CB-CD1 4.36Å; N805-I867 WeakPolarHBondContact OD1-CG1 3.43Å
806K89.8Confident88.9Confident128 Ų12833.2 Ų33.256%0.55716%0.16SC*.Hα-helixtrans-57.9-37.2174.5-170.9174.8-177.7179.20113.3Q802 T803 L804 G810Q802-K806 PolarHBondContact O-N 3.4Å; T803-K806 PolarHBondContact O-N 3.01Å; L804-K806 PolarHBondContact O-N 3.11Å; K806-G810 PolarHBondContact O-N 2.93Å; K806-G810 VanDerWaalsContact O-N 3.09Å
807L91.1Very high89.1Confident3 Ų333.1 Ų33.12%0.01616%0.157CC..Hα-helixtrans-71.2-35.8174.5-74.7169.1000112.8L766 L769 T770 L777 L784 T803 L804 N805 G810 L811L766-L807 HydrophobicContact CB-CD1 4.05Å; L766-L807 HydrophobicContact CD2-CD1 3.76Å; L766-L807 HydrophobicContact CG-CD1 4.42Å; L769-L807 HydrophobicContact CB-CD1 4.16Å; L769-L807 HydrophobicContact CB-CD2 3.8Å; L769-L807 HydrophobicContact CD1-CD1 4.48Å; T770-L807 HydrophobicContact CG2-CD1 4.31Å; T770-L807 HydrophobicContact CG2-CD2 3.7Å; T770-L807 HydrophobicContact CG2-CG 3.72Å; L777-L807 HydrophobicContact CD1-CD2 4.08Å; L777-L807 HydrophobicContact CD2-CD2 3.95Å; L784-L807 HydrophobicContact CD1-CB 4.46Å; L784-L807 HydrophobicContact CD2-CD1 4.38Å; T803-L807 WeakPolarHBondContact O-CG 3.49Å; T803-L807 PolarHBondContact O-N 3.04Å; L804-L807 PolarHBondContact O-N 3.4Å; L804-L807 VanDerWaalsContact O-N 3.16Å; N805-L807 VanDerWaalsContact C-N 3.28Å; N805-L807 PolarHBondContact O-N 2.95Å; L807-G810 PolarHBondContact O-N 3.5Å; L807-L811 WeakPolarHBondContact O-CG 3.37Å; L807-L811 PolarHBondContact O-N 2.66Å
808W92.9Very high89.1Confident9 Ų935.4 Ų35.43%0.03416%0.158CC..Hα-helixtrans-67-48.3176.1-172.594.8000110.9L804 N805 G810 L811 N812 L819 W820 T823 I867 H870 M871L804-W808 PolarHBondContact O-N 3.08Å; N805-W808 PolarHBondContact O-N 3.14Å; W808-G810 VanDerWaalsContact C-N 3.29Å; W808-G810 PolarHBondContact O-N 2.93Å; W808-L811 CarbonylContact O-C 3.54Å; W808-L811 WeakPolarHBondContact O-CA 3.31Å; W808-L811 WeakPolarHBondContact O-CB 3.42Å; W808-L811 PolarHBondContact O-N 3.04Å; W808-N812 HydrophobicContact CE3-CB 4.37Å; W808-N812 HydrophobicContact CZ3-CB 4.19Å; W808-N812 WeakPolarHBondContact O-CB 3.41Å; W808-N812 PolarHBondContact O-N 3.4Å; W808-L819 HydrophobicContact CD2-CD2 3.95Å; W808-L819 HydrophobicContact CG-CD2 4.12Å; W808-L819 HydrophobicContact CZ2-CD2 4.1Å; W808-L819 HydrophobicContact CZ2-CG 4.41Å; W808-L819 WeakPolarHBondContact O-CD2 3.33Å; W808-W820 AromaticContact CH2-CD1 3.91Å; W808-W820 AromaticContact CH2-NE1 3.82Å; W808-W820 AromaticContact CZ2-CD1 3.59Å; W808-W820 AromaticContact CZ2-NE1 3.99Å; W808-T823 VanDerWaalsContact NE1-CG2 3.34Å; W808-I867 HydrophobicContact CB-CD1 3.9Å; W808-I867 HydrophobicContact CB-CG1 4.44Å; W808-I867 HydrophobicContact CD2-CB 4.4Å; W808-I867 HydrophobicContact CD2-CD1 4.14Å; W808-I867 HydrophobicContact CD2-CG1 3.9Å; W808-I867 HydrophobicContact CD2-CG2 3.8Å; W808-I867 VanDerWaalsContact CE2-CG2 3.5Å; W808-I867 HydrophobicContact CE3-CB 4.44Å; W808-I867 HydrophobicContact CE3-CG1 3.88Å; W808-I867 HydrophobicContact CE3-CG2 4.2Å; W808-I867 HydrophobicContact CG-CD1 3.83Å; W808-I867 HydrophobicContact CG-CG1 4.14Å; W808-I867 HydrophobicContact CG-CG2 4.3Å; W808-I867 HydrophobicContact CH2-CG2 4.11Å; W808-I867 HydrophobicContact CZ2-CG2 3.68Å; W808-I867 HydrophobicContact CZ3-CG1 4.46Å; W808-I867 HydrophobicContact CZ3-CG2 4.35Å; W808-H870 HydrophobicContact CH2-CB 4.24Å; W808-H870 HydrophobicContact CZ3-CB 4.17Å; W808-H870 AromaticContact CZ3-CD2 3.9Å; W808-M871 HydrophobicContact CH2-CG 3.93Å; W808-M871 HydrophobicContact CZ2-CG 3.68Å; W808-M871 HydrophobicContact CZ2-SD 4.15Å
809M90.6Very high89.2Confident41 Ų4132.1 Ų32.120%0.20215%0.146CC..Hα-helixtrans-58.2-41.1173.9-66.1-63.8-178.500111.6N805 L811 N812 T813 D866 H870N805-M809 WeakPolarHBondContact O-CG 3.33Å; N805-M809 PolarHBondContact O-N 3.11Å; M809-L811 VanDerWaalsContact C-N 3.31Å; M809-L811 PolarHBondContact O-N 3.4Å; M809-N812 VanDerWaalsContact O-CB 3.3Å; M809-N812 WeakPolarHBondContact O-CB 3.36Å; M809-N812 PolarHBondContact O-N 2.67Å; M809-N812 VanDerWaalsContact O-N 3.1Å; M809-T813 PolarHBondContact O-N 3.2Å; M809-D866 WeakPolarHBondContact CE-OD2 3.08Å; M809-H870 HydrophobicContact CE-CB 4.38Å
810G87.5Confident89.3Confident20 Ų2024.9 Ų24.921%0.20612%0.119CC..Hα-helixtrans-67-23.6173.600000115.1P774 K806 L807 W808 T813P774-G810 WeakPolarHBondContact CB-O 3.47Å; K806-G810 PolarHBondContact O-N 2.93Å; K806-G810 VanDerWaalsContact O-N 3.09Å; L807-G810 PolarHBondContact O-N 3.5Å; W808-G810 VanDerWaalsContact C-N 3.29Å; W808-G810 PolarHBondContact O-N 2.93Å; G810-T813 PolarHBondContact O-OG1 3.43Å
811L88.8Confident89.4Confident2 Ų225.8 Ų25.81%0.0112%0.124CC..Hα-helixtrans-82.7-26.3169.6-79.9165.6000112.1L777 A781 L784 L807 W808 M809 T813 V814 M815 L819L777-L811 HydrophobicContact CB-CD2 3.58Å; L777-L811 HydrophobicContact CB-CG 4.06Å; A781-L811 HydrophobicContact CB-CD1 3.79Å; A781-L811 HydrophobicContact CB-CD2 4.03Å; L784-L811 HydrophobicContact CD1-CD1 3.95Å; L807-L811 WeakPolarHBondContact O-CG 3.37Å; L807-L811 PolarHBondContact O-N 2.66Å; W808-L811 CarbonylContact O-C 3.54Å; W808-L811 WeakPolarHBondContact O-CA 3.31Å; W808-L811 WeakPolarHBondContact O-CB 3.42Å; W808-L811 PolarHBondContact O-N 3.04Å; M809-L811 VanDerWaalsContact C-N 3.31Å; M809-L811 PolarHBondContact O-N 3.4Å; L811-T813 VanDerWaalsContact C-N 3.26Å; L811-T813 PolarHBondContact O-N 3.25Å; L811-V814 PolarHBondContact O-N 3.16Å; L811-V814 VanDerWaalsContact O-N 3.1Å; L811-M815 HydrophobicContact CD2-CE 4.08Å; L811-M815 PolarHBondContact O-N 2.91Å; L811-M815 VanDerWaalsContact O-N 3.15Å; L811-L819 HydrophobicContact CB-CD1 4.05Å; L811-L819 HydrophobicContact CB-CD2 3.73Å; L811-L819 HydrophobicContact CD1-CD1 4.16Å
812N90.2Very high89.4Confident0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-69.5-21-179.6-158.554.2000113.1K681 D717 W808 M809 V814 P816 L819 W820 H870K681-N812 PolarHBondContact NZ-O 3.44Å; D717-N812 VanDerWaalsContact CG-ND2 3.26Å; D717-N812 PolarHBondContact OD1-ND2 2.93Å; D717-N812 PolarHBondContact OD2-ND2 3.05Å; D717-N812 VanDerWaalsContact OD2-ND2 3.11Å; W808-N812 HydrophobicContact CE3-CB 4.37Å; W808-N812 HydrophobicContact CZ3-CB 4.19Å; W808-N812 WeakPolarHBondContact O-CB 3.41Å; W808-N812 PolarHBondContact O-N 3.4Å; M809-N812 VanDerWaalsContact O-CB 3.3Å; M809-N812 WeakPolarHBondContact O-CB 3.36Å; M809-N812 PolarHBondContact O-N 2.67Å; M809-N812 VanDerWaalsContact O-N 3.1Å; N812-V814 VanDerWaalsContact C-N 3.28Å; N812-P816 WeakPolarHBondContact O-CD 3.49Å; N812-P816 VanDerWaalsContact OD1-CB 3.3Å; N812-P816 WeakPolarHBondContact OD1-CB 3.4Å; N812-L819 HydrophobicContact CB-CD2 4.07Å; N812-W820 PolarHBondContact OD1-NE1 3.07Å; N812-H870 PolarHBondContact ND2-CD2 3.06Å
813T85.6Confident89.4Confident6 Ų621.6 Ų21.64%0.03710%0.104CC..THydrogen-bonded Turntrans-72.6-22.5171.277.10000112.7K681 E721 M809 G810 L811K681-T813 VanDerWaalsContact CD-O 3.27Å; K681-T813 WeakPolarHBondContact CD-O 3.43Å; K681-T813 WeakPolarHBondContact CE-O 3.45Å; K681-T813 VanDerWaalsContact CG-O 3.27Å; K681-T813 WeakPolarHBondContact CG-O 3.46Å; E721-T813 HydrophobicContact CG-CG2 3.73Å; E721-T813 WeakPolarHBondContact OE1-CB 3.32Å; E721-T813 PolarHBondContact OE1-OG1 3.34Å; M809-T813 PolarHBondContact O-N 3.2Å; G810-T813 PolarHBondContact O-OG1 3.43Å; L811-T813 VanDerWaalsContact C-N 3.26Å; L811-T813 PolarHBondContact O-N 3.25Å
814V82.6Confident89.4Confident3 Ų321.2 Ų21.22%0.01810%0.102CC..THydrogen-bonded Turntrans-101.8-57.6-168.9171.40000112.8Y682 P774 I778 L811 N812Y682-V814 WeakPolarHBondContact CB-O 3.45Å; Y682-V814 HydrophobicContact CD2-CG1 3.99Å; Y682-V814 HydrophobicContact CD2-CG2 4.25Å; Y682-V814 HydrophobicContact CG-CG1 4.2Å; Y682-V814 PolarHBondContact N-O 3.2Å; Y682-V814 VanDerWaalsContact N-O 3.16Å; P774-V814 HydrophobicContact CB-CG2 3.25Å; I778-V814 HydrophobicContact CD1-CG1 3.59Å; I778-V814 HydrophobicContact CG1-CG1 3.64Å; L811-V814 PolarHBondContact O-N 3.16Å; L811-V814 VanDerWaalsContact O-N 3.1Å; N812-V814 VanDerWaalsContact C-N 3.28Å
815M86.6Confident89.4Confident15 Ų1523.2 Ų23.27%0.07411%0.113CC..  trans-138.655.7-173.659.2172.4-177.900113I778 A781 L811 R817 R818 L819I778-M815 HydrophobicContact CB-CE 4.22Å; I778-M815 HydrophobicContact CG1-CE 4.29Å; I778-M815 HydrophobicContact CG1-SD 4.35Å; I778-M815 HydrophobicContact CG2-CE 3.93Å; I778-M815 HydrophobicContact CG2-SD 3.99Å; A781-M815 HydrophobicContact CB-CE 3.31Å; L811-M815 HydrophobicContact CD2-CE 4.08Å; L811-M815 PolarHBondContact O-N 2.91Å; L811-M815 VanDerWaalsContact O-N 3.15Å; M815-R817 PolarHBondContact O-N 3.3Å; M815-R818 PolarHBondContact O-N 2.92Å; M815-L819 WeakPolarHBondContact O-CB 3.32Å; M815-L819 PolarHBondContact O-N 3.47Å
816P89.1Confident89.2Confident4 Ų423.3 Ų23.33%0.02612%0.116CC..Hα-helixtrans-52.7-51.9-171.620.5-34.3000113.6K681 L712 N812 R818 L819 W820K681-P816 HydrophobicContact CB-CG 4.36Å; K681-P816 HydrophobicContact CD-CG 3.81Å; L712-P816 HydrophobicContact CD2-CB 4.31Å; L712-P816 HydrophobicContact CD2-CG 3.51Å; N812-P816 WeakPolarHBondContact O-CD 3.49Å; N812-P816 VanDerWaalsContact OD1-CB 3.3Å; N812-P816 WeakPolarHBondContact OD1-CB 3.4Å; P816-R818 PolarHBondContact O-N 3.28Å; P816-L819 CarbonylContact O-C 3.58Å; P816-L819 WeakPolarHBondContact O-CA 3.49Å; P816-L819 WeakPolarHBondContact O-CB 3.25Å; P816-L819 PolarHBondContact O-N 3.27Å; P816-W820 HydrophobicContact CB-CD2 4.48Å; P816-W820 HydrophobicContact CB-CH2 4.46Å; P816-W820 HydrophobicContact CB-CZ2 3.72Å; P816-W820 PolarHBondContact O-N 3.48Å
817R87.4Confident89.1Confident20 Ų2017.4 Ų17.48%0.0759%0.091CC..Hα-helixtrans-54.5-53.4-177.1-72.5173.448.6-152.8-16113.2M675 D676 L712 M815 L819 W820 V821M675-R817 VanDerWaalsContact C-NH2 3.33Å; M675-R817 VanDerWaalsContact O-CZ 3.26Å; M675-R817 PolarHBondContact O-NH1 2.96Å; M675-R817 PolarHBondContact O-NH2 3.35Å; M675-R817 VanDerWaalsContact O-NH2 3.11Å; D676-R817 IonicContact OD1-CZ 2.78Å; D676-R817 IonicContact OD1-NE 3.5Å; D676-R817 PolarHBondContact OD1-NE 2.97Å; D676-R817 IonicContact OD1-NH2 3.79Å; D676-R817 PolarHBondContact OD1-NH2 3.45Å; L712-R817 HydrophobicContact CD2-CG 4.17Å; M815-R817 PolarHBondContact O-N 3.3Å; R817-L819 VanDerWaalsContact C-N 3.33Å; R817-L819 PolarHBondContact O-N 2.95Å; R817-W820 PolarHBondContact O-N 3.06Å; R817-V821 WeakPolarHBondContact O-CG2 3.19Å; R817-V821 PolarHBondContact O-N 3.31Å; R817-V821 VanDerWaalsContact O-N 3.09Å
818R87.4Confident88.8Confident103 Ų10319.2 Ų19.239%0.38910%0.099SC..Hα-helixtrans-60.5-42.4175.8175.3176.1173.5-169.4-0.7111.4M815 P816 M822M815-R818 PolarHBondContact O-N 2.92Å; P816-R818 PolarHBondContact O-N 3.28Å; R818-M822 HydrophobicContact CG-CG 4.47Å; R818-M822 HydrophobicContact CG-SD 3.51Å; R818-M822 VanDerWaalsContact CG-SD 3.51Å; R818-M822 PolarHBondContact NE-SD 3.06Å; R818-M822 VanDerWaalsContact NE-SD 3.38Å; R818-M822 WeakPolarHBondContact O-CB 3.48Å; R818-M822 WeakPolarHBondContact O-CG 3.34Å; R818-M822 PolarHBondContact O-N 3.32Å
819L90.7Very high88Confident1 Ų122.2 Ų22.21%0.00512%0.12CC..Hα-helixtrans-59.6-47.1177.4-178.470.6000111.4T785 W808 L811 N812 M815 P816 R817 M822 T823T785-L819 HydrophobicContact CG2-CD1 3.78Å; W808-L819 HydrophobicContact CD2-CD2 3.95Å; W808-L819 HydrophobicContact CG-CD2 4.12Å; W808-L819 HydrophobicContact CZ2-CD2 4.1Å; W808-L819 HydrophobicContact CZ2-CG 4.41Å; W808-L819 WeakPolarHBondContact O-CD2 3.33Å; L811-L819 HydrophobicContact CB-CD1 4.05Å; L811-L819 HydrophobicContact CB-CD2 3.73Å; L811-L819 HydrophobicContact CD1-CD1 4.16Å; N812-L819 HydrophobicContact CB-CD2 4.07Å; M815-L819 WeakPolarHBondContact O-CB 3.32Å; M815-L819 PolarHBondContact O-N 3.47Å; P816-L819 CarbonylContact O-C 3.58Å; P816-L819 WeakPolarHBondContact O-CA 3.49Å; P816-L819 WeakPolarHBondContact O-CB 3.25Å; P816-L819 PolarHBondContact O-N 3.27Å; R817-L819 VanDerWaalsContact C-N 3.33Å; R817-L819 PolarHBondContact O-N 2.95Å; L819-M822 PolarHBondContact O-N 3.5Å; L819-T823 PolarHBondContact O-N 3.43Å; L819-T823 PolarHBondContact O-OG1 2.73Å
820W92.1Very high86.7Confident0 Ų025.1 Ų25.10%014%0.144CC..Hα-helixtrans-61.8-48.5-179.7-59.3-9.6000111.8H711 W808 N812 P816 R817 M822 T823 V824 M871 Y875H711-W820 HydrophobicContact CB-CH2 4.46Å; W808-W820 AromaticContact CH2-CD1 3.91Å; W808-W820 AromaticContact CH2-NE1 3.82Å; W808-W820 AromaticContact CZ2-CD1 3.59Å; W808-W820 AromaticContact CZ2-NE1 3.99Å; N812-W820 PolarHBondContact OD1-NE1 3.07Å; P816-W820 HydrophobicContact CB-CD2 4.48Å; P816-W820 HydrophobicContact CB-CH2 4.46Å; P816-W820 HydrophobicContact CB-CZ2 3.72Å; P816-W820 PolarHBondContact O-N 3.48Å; R817-W820 PolarHBondContact O-N 3.06Å; W820-M822 PolarHBondContact O-N 3.26Å; W820-T823 PolarHBondContact O-N 2.87Å; W820-T823 PolarHBondContact O-OG1 2.94Å; W820-V824 WeakPolarHBondContact O-CG2 3.44Å; W820-V824 PolarHBondContact O-N 3.48Å; W820-M871 HydrophobicContact CB-CG 4.18Å; W820-M871 HydrophobicContact CB-SD 4.16Å; W820-M871 HydrophobicContact CG-CG 3.97Å; W820-Y875 HydrophobicContact CB-CE2 3.68Å; W820-Y875 WeakPolarHBondContact CB-OH 3.39Å; W820-Y875 HydrophobicContact CD2-CE2 4.38Å; W820-Y875 HydrophobicContact CE3-CD2 4.26Å; W820-Y875 HydrophobicContact CE3-CE1 4.2Å; W820-Y875 AromaticContact CE3-CE2 3.95Å; W820-Y875 HydrophobicContact CE3-CE2 3.95Å; W820-Y875 AromaticContact CE3-CZ 3.87Å; W820-Y875 HydrophobicContact CG-CE2 4.34Å
821V90.8Very high85Confident18 Ų1826.7 Ų26.711%0.10916%0.155CC..Hα-helixtrans-55.7-42.1173.8174.10000110.7R817 N825 Q841 L844 Y875R817-V821 WeakPolarHBondContact O-CG2 3.19Å; R817-V821 PolarHBondContact O-N 3.31Å; R817-V821 VanDerWaalsContact O-N 3.09Å; V821-N825 WeakPolarHBondContact O-CB 3.44Å; V821-N825 PolarHBondContact O-N 3.44Å; V821-N825 VanDerWaalsContact O-N 3.15Å; V821-N825 PolarHBondContact O-ND2 2.94Å; V821-Q841 HydrophobicContact CG2-CB 3.91Å; V821-Q841 VanDerWaalsContact CG2-OE1 3.32Å; V821-L844 HydrophobicContact CG2-CD1 4.26Å; V821-Y875 WeakPolarHBondContact CG2-OH 3.33Å
822M89.2Confident83.2Confident34 Ų3436.8 Ų36.817%0.16720%0.199CC..Hα-helixtrans-71-33.7180-71.2167.956.600113.1E782 T785 R818 L819 W820 A826E782-M822 HydrophobicContact CB-CE 3.6Å; E782-M822 HydrophobicContact CG-CE 4.04Å; T785-M822 HydrophobicContact CG2-CB 4.11Å; R818-M822 HydrophobicContact CG-CG 4.47Å; R818-M822 HydrophobicContact CG-SD 3.51Å; R818-M822 VanDerWaalsContact CG-SD 3.51Å; R818-M822 PolarHBondContact NE-SD 3.06Å; R818-M822 VanDerWaalsContact NE-SD 3.38Å; R818-M822 WeakPolarHBondContact O-CB 3.48Å; R818-M822 WeakPolarHBondContact O-CG 3.34Å; R818-M822 PolarHBondContact O-N 3.32Å; L819-M822 PolarHBondContact O-N 3.5Å; W820-M822 PolarHBondContact O-N 3.26Å; M822-A826 WeakPolarHBondContact O-CB 3.47Å; M822-A826 PolarHBondContact O-N 2.98Å
823T91.9Very high81.2Confident1 Ų144.8 Ų44.81%0.00624%0.241CC..Hα-helixtrans-76.7-39.6173.429.40000113.8T785 W808 L819 W820 N825 A826 L827 M871T785-T823 HydrophobicContact CG2-CG2 3.72Å; W808-T823 VanDerWaalsContact NE1-CG2 3.34Å; L819-T823 PolarHBondContact O-N 3.43Å; L819-T823 PolarHBondContact O-OG1 2.73Å; W820-T823 PolarHBondContact O-N 2.87Å; W820-T823 PolarHBondContact O-OG1 2.94Å; T823-N825 VanDerWaalsContact C-N 3.32Å; T823-N825 PolarHBondContact O-N 3.39Å; T823-A826 PolarHBondContact O-N 3.28Å; T823-A826 VanDerWaalsContact O-N 3.12Å; T823-L827 WeakPolarHBondContact O-CB 3.48Å; T823-L827 WeakPolarHBondContact O-CG 3.44Å; T823-L827 PolarHBondContact O-N 2.93Å; T823-M871 PolarHBondContact OG1-SD 3.35Å
824V91.4Very high79.5Confident12 Ų1251.3 Ų51.37%0.07327%0.274CS..Hα-helixtrans-63.5-39.7176.8174.90000111W820 A826 Y839 L844 I850 V851 M871 Y875W820-V824 WeakPolarHBondContact O-CG2 3.44Å; W820-V824 PolarHBondContact O-N 3.48Å; V824-A826 VanDerWaalsContact C-N 3.32Å; V824-A826 PolarHBondContact O-N 3.24Å; V824-Y839 HydrophobicContact CG1-CD2 4.27Å; V824-L844 HydrophobicContact CB-CD1 4.09Å; V824-L844 HydrophobicContact CG1-CD1 4.14Å; V824-L844 HydrophobicContact CG1-CD2 3.86Å; V824-L844 HydrophobicContact CG2-CD1 4.22Å; V824-I850 HydrophobicContact CG1-CG2 4.18Å; V824-V851 HydrophobicContact CG2-CG2 4.08Å; V824-M871 HydrophobicContact CG2-CE 4.11Å; V824-M871 HydrophobicContact CG2-SD 3.86Å; V824-Y875 HydrophobicContact CG2-CE2 4.49Å
825N89.3Confident78Confident47 Ų4762.6 Ų62.625%0.25132%0.317SS..Hα-helixtrans-70.5-24.7174.4-75.3-60.2000113.8V821 T823 Q828 T838 Y839V821-N825 WeakPolarHBondContact O-CB 3.44Å; V821-N825 PolarHBondContact O-N 3.44Å; V821-N825 VanDerWaalsContact O-N 3.15Å; V821-N825 PolarHBondContact O-ND2 2.94Å; T823-N825 VanDerWaalsContact C-N 3.32Å; T823-N825 PolarHBondContact O-N 3.39Å; N825-Q828 PolarHBondContact OD1-NE2 3.22Å; N825-T838 WeakPolarHBondContact OD1-CA 3.41Å; N825-Y839 PolarHBondContact ND2-O 3.43Å; N825-Y839 PolarHBondContact OD1-N 3.41Å
826A88.6Confident76.6Confident22 Ų2270.3 Ų70.318%0.18235%0.353CS..Hα-helixtrans-84-28.5177.100000114.1T785 M822 T823 V824 Q828T785-A826 WeakPolarHBondContact O-CB 3.36Å; M822-A826 WeakPolarHBondContact O-CB 3.47Å; M822-A826 PolarHBondContact O-N 2.98Å; T823-A826 PolarHBondContact O-N 3.28Å; T823-A826 VanDerWaalsContact O-N 3.12Å; V824-A826 VanDerWaalsContact C-N 3.32Å; V824-A826 PolarHBondContact O-N 3.24Å; A826-Q828 VanDerWaalsContact C-N 3.34Å; A826-Q828 PolarHBondContact O-N 3Å
827L87.9Confident75.7Confident5 Ų575.5 Ų75.53%0.02638%0.377CS..SBendtrans-91.717.2-177.2-65.6174.7000113.9T788 T823 C854 D855 V858 V868T788-L827 WeakPolarHBondContact OG1-CD2 3.43Å; T823-L827 WeakPolarHBondContact O-CB 3.48Å; T823-L827 WeakPolarHBondContact O-CG 3.44Å; T823-L827 PolarHBondContact O-N 2.93Å; L827-C854 HydrophobicContact CB-CB 4.11Å; L827-C854 CarbonylContact O-C 3.57Å; L827-C854 VanDerWaalsContact O-CA 3.3Å; L827-C854 WeakPolarHBondContact O-CA 3.46Å; L827-C854 WeakPolarHBondContact O-CB 3.15Å; L827-D855 PolarHBondContact O-N 3.38Å; L827-V858 HydrophobicContact CD2-CG2 4.28Å; L827-V868 HydrophobicContact CD1-CG2 4.08Å
828Q83.6Confident75.3Confident41 Ų4180.2 Ų80.219%0.19241%0.408CS..SBendtrans-68143177.1-63.3-1717.400111.9N825 A826 S830 Q837N825-Q828 PolarHBondContact OD1-NE2 3.22Å; A826-Q828 VanDerWaalsContact C-N 3.34Å; A826-Q828 PolarHBondContact O-N 3Å; Q828-S830 PolarHBondContact O-N 3.18Å; Q828-Q837 PolarHBondContact NE2-O 2.99Å
829P77.3Confident75.3Confident72 Ų7277.7 Ų77.747%0.46840%0.398SS..  trans-56.7134.4177.2-25.634000113.3A831 R853P829-A831 PolarHBondContact O-N 2.75Å; P829-R853 WeakPolarHBondContact CD-O 3.29Å
830S62.9Low75.2Confident102 Ų10281.1 Ų81.171%0.71342%0.42SS*.  trans-77.546.2-174.466.80000114.6Q828Q828-S830 PolarHBondContact O-N 3.18Å
831A51.2Low74.8Confident52 Ų5281.7 Ų81.743%0.4342%0.422SS..  trans-89.1116.3-175.600000112.4P829 L833 L834P829-A831 PolarHBondContact O-N 2.75Å; A831-L833 PolarHBondContact O-N 3.04Å; A831-L834 PolarHBondContact O-N 3.16Å
832K51.3Low74.6Confident214 Ų21483.9 Ų83.993%0.9343%0.434SS*.THydrogen-bonded Turntrans-65.112.6178.2-61.9178.9178.5174.80115.6
833L48.3Very low74.5Confident168 Ų16885 Ų8588%0.8844%0.44SS*.THydrogen-bonded Turntrans-129-11.2-168.6-85.3155.7000113.7A831A831-L833 PolarHBondContact O-N 3.04Å
834L50.2Low74.4Confident143 Ų14385 Ų8575%0.74944%0.44SS*.SBendtrans-109139.8173.8-75.8165.8000109.8A831 Q836A831-L834 PolarHBondContact O-N 3.16Å; L834-Q836 PolarHBondContact O-N 2.97Å
835R49.9Very low74.2Confident241 Ų24185.9 Ų85.991%0.90944%0.444SS*.  trans-69.1112.2178.7-160.4-178.6-162.4175.94107.4Q837R835-Q837 PolarHBondContact O-N 3.23Å
836Q58.4Low74.2Confident177 Ų17787.4 Ų87.483%0.82746%0.455SS*.  trans-53.7112.7176.2-77.2-177.6-41.600109.2L834L834-Q836 PolarHBondContact O-N 2.97Å
837Q69Low74.3Confident113 Ų11388.4 Ų88.453%0.52846%0.457SS..  trans-103.5111.5-175.7-177.1169.1-6.200107.7Q828 R835 Y839Q828-Q837 PolarHBondContact NE2-O 2.99Å; R835-Q837 PolarHBondContact O-N 3.23Å; Q837-Y839 HydrophobicContact CG-CD1 4.46Å; Q837-Y839 HydrophobicContact CG-CE1 4.15Å; Q837-Y839 PolarHBondContact O-N 3.31Å; Q837-Y839 VanDerWaalsContact O-N 3.11Å
838T80.5Confident74.6Confident119 Ų11988.1 Ų88.173%0.7346%0.456SS*.  trans-72.6101.8175.350.50000109N825N825-T838 WeakPolarHBondContact OD1-CA 3.41Å
839Y87.1Confident75Confident49 Ų4987.4 Ų87.419%0.19245%0.453CS..  trans-70.6135176-61.5-67.1000110.3V824 N825 Q837 D843 L844 I850V824-Y839 HydrophobicContact CG1-CD2 4.27Å; N825-Y839 PolarHBondContact ND2-O 3.43Å; N825-Y839 PolarHBondContact OD1-N 3.41Å; Q837-Y839 HydrophobicContact CG-CD1 4.46Å; Q837-Y839 HydrophobicContact CG-CE1 4.15Å; Q837-Y839 PolarHBondContact O-N 3.31Å; Q837-Y839 VanDerWaalsContact O-N 3.11Å; Y839-D843 HydrophobicContact CD1-CB 4.33Å; Y839-L844 HydrophobicContact CG-CD2 4.2Å; Y839-I850 HydrophobicContact CD1-CD1 4.11Å; Y839-I850 HydrophobicContact CD1-CG2 4.24Å; Y839-I850 HydrophobicContact CD2-CG2 3.89Å; Y839-I850 HydrophobicContact CE1-CD1 4.05Å; Y839-I850 HydrophobicContact CE1-CG2 4.07Å; Y839-I850 HydrophobicContact CE2-CG2 3.69Å; Y839-I850 HydrophobicContact CG-CG2 4.17Å
840T87.5Confident75.7Confident74 Ų7484.7 Ų84.745%0.45443%0.434SS..  trans-92.4164.7171.172.60000110.6N842 D843 L844T840-N842 PolarHBondContact O-N 2.97Å; T840-N842 VanDerWaalsContact O-N 3.14Å; T840-N842 PolarHBondContact OG1-N 3.2Å; T840-D843 WeakPolarHBondContact CA-OD2 3.32Å; T840-D843 VanDerWaalsContact CB-OD2 3.32Å; T840-D843 WeakPolarHBondContact CB-OD2 3.47Å; T840-D843 PolarHBondContact N-OD2 2.92Å; T840-D843 PolarHBondContact O-N 3.49Å; T840-D843 VanDerWaalsContact O-N 3.11Å; T840-D843 PolarHBondContact OG1-N 2.9Å; T840-D843 PolarHBondContact OG1-OD2 3.18Å; T840-L844 PolarHBondContact O-N 3.14Å
841Q84.3Confident77.1Confident11 Ų1180 Ų805%0.05140%0.401CS..Hα-helixtrans-54-31.9173.2178.961.412.300112.8V821 M845 Y875V821-Q841 HydrophobicContact CG2-CB 3.91Å; V821-Q841 VanDerWaalsContact CG2-OE1 3.32Å; Q841-M845 HydrophobicContact CG-SD 3.77Å; Q841-M845 PolarHBondContact NE2-SD 2.84Å; Q841-M845 VanDerWaalsContact NE2-SD 3.4Å; Q841-M845 WeakPolarHBondContact O-CB 3.32Å; Q841-M845 WeakPolarHBondContact O-CG 3.31Å; Q841-M845 PolarHBondContact O-N 3.39Å; Q841-M845 VanDerWaalsContact O-N 3.09Å; Q841-Y875 VanDerWaalsContact OE1-CE1 3.31Å; Q841-Y875 PolarHBondContact OE1-OH 3.2Å
842N86.2Confident79Confident65 Ų6578 Ų7835%0.34838%0.383SS..Hα-helixtrans-71.6-40.1178.8-17276.4000112.2T840 L844 M845 V846T840-N842 PolarHBondContact O-N 2.97Å; T840-N842 VanDerWaalsContact O-N 3.14Å; T840-N842 PolarHBondContact OG1-N 3.2Å; N842-L844 VanDerWaalsContact C-N 3.32Å; N842-L844 PolarHBondContact O-N 2.95Å; N842-M845 PolarHBondContact O-N 3.23Å; N842-V846 WeakPolarHBondContact O-CG2 3.5Å; N842-V846 PolarHBondContact O-N 3.01Å; N842-V846 VanDerWaalsContact O-N 3.07Å
843D88.2Confident80.8Confident57 Ų5774.1 Ų74.131%0.30536%0.363SS..Hα-helixtrans-63.2-41.3178.8-52.2-58.8000110.9Y839 T840 V846 D847Y839-D843 HydrophobicContact CD1-CB 4.33Å; T840-D843 WeakPolarHBondContact CA-OD2 3.32Å; T840-D843 VanDerWaalsContact CB-OD2 3.32Å; T840-D843 WeakPolarHBondContact CB-OD2 3.47Å; T840-D843 PolarHBondContact N-OD2 2.92Å; T840-D843 PolarHBondContact O-N 3.49Å; T840-D843 VanDerWaalsContact O-N 3.11Å; T840-D843 PolarHBondContact OG1-N 2.9Å; T840-D843 PolarHBondContact OG1-OD2 3.18Å; D843-V846 PolarHBondContact O-N 3.3Å; D843-D847 PolarHBondContact O-N 3.37Å
844L88.6Confident82.7Confident0 Ų066.7 Ų66.70%033%0.325CS..Hα-helixtrans-74.6-24.7179.1-57.8177.2000113.4V821 V824 Y839 T840 N842 I850 Y875V821-L844 HydrophobicContact CG2-CD1 4.26Å; V824-L844 HydrophobicContact CB-CD1 4.09Å; V824-L844 HydrophobicContact CG1-CD1 4.14Å; V824-L844 HydrophobicContact CG1-CD2 3.86Å; V824-L844 HydrophobicContact CG2-CD1 4.22Å; Y839-L844 HydrophobicContact CG-CD2 4.2Å; T840-L844 PolarHBondContact O-N 3.14Å; N842-L844 VanDerWaalsContact C-N 3.32Å; N842-L844 PolarHBondContact O-N 2.95Å; L844-I850 HydrophobicContact CD2-CB 3.78Å; L844-I850 HydrophobicContact CD2-CD1 4.1Å; L844-I850 HydrophobicContact CD2-CG2 3.52Å; L844-Y875 HydrophobicContact CB-CD1 3.81Å; L844-Y875 HydrophobicContact CB-CD2 4.48Å; L844-Y875 HydrophobicContact CB-CE1 3.42Å; L844-Y875 VanDerWaalsContact CB-CE1 3.42Å; L844-Y875 HydrophobicContact CB-CE2 4.11Å; L844-Y875 HydrophobicContact CB-CG 4.35Å; L844-Y875 HydrophobicContact CD1-CE1 4.34Å; L844-Y875 HydrophobicContact CD1-CE2 3.99Å; L844-Y875 WeakPolarHBondContact CD1-OH 3.42Å; L844-Y875 WeakPolarHBondContact O-CD1 3.5Å
845M88.3Confident84.5Confident32 Ų3260.6 Ų60.616%0.15829%0.293CS..Hα-helixtrans-76.6-24.2169.6-76.3169.755.300112.9Q841 N842 Y875 A878 S879 Y882Q841-M845 HydrophobicContact CG-SD 3.77Å; Q841-M845 PolarHBondContact NE2-SD 2.84Å; Q841-M845 VanDerWaalsContact NE2-SD 3.4Å; Q841-M845 WeakPolarHBondContact O-CB 3.32Å; Q841-M845 WeakPolarHBondContact O-CG 3.31Å; Q841-M845 PolarHBondContact O-N 3.39Å; Q841-M845 VanDerWaalsContact O-N 3.09Å; N842-M845 PolarHBondContact O-N 3.23Å; M845-Y875 HydrophobicContact CG-CD1 4.4Å; M845-Y875 HydrophobicContact CG-CE1 4.46Å; M845-A878 HydrophobicContact CG-CB 3.92Å; M845-S879 VanDerWaalsContact O-CA 3.31Å; M845-S879 WeakPolarHBondContact O-CA 3.41Å; M845-S879 VanDerWaalsContact O-CB 3.26Å; M845-S879 WeakPolarHBondContact O-CB 3.37Å; M845-Y882 HydrophobicContact CE-CD2 3.77Å; M845-Y882 HydrophobicContact CE-CG 4.09Å
846V89.5Confident86.2Confident79 Ų7956.6 Ų56.648%0.47929%0.285SS..Hα-helixtrans-86-42.4177.1171.20000111.9N842 D843 Y882N842-V846 WeakPolarHBondContact O-CG2 3.5Å; N842-V846 PolarHBondContact O-N 3.01Å; N842-V846 VanDerWaalsContact O-N 3.07Å; D843-V846 PolarHBondContact O-N 3.3Å; V846-Y882 HydrophobicContact CG2-CD1 4.39Å; V846-Y882 HydrophobicContact CG2-CE1 3.74Å
847D90.1Very high87.6Confident42 Ų4253.1 Ų53.123%0.22526%0.264CS..  trans-127.986.9174.618010.6000111.5D843 L849 I850 R853D843-D847 PolarHBondContact O-N 3.37Å; D847-L849 PolarHBondContact O-N 3.05Å; D847-L849 VanDerWaalsContact O-N 3.12Å; D847-L849 VanDerWaalsContact OD1-CB 3.25Å; D847-L849 WeakPolarHBondContact OD1-CB 3.47Å; D847-L849 PolarHBondContact OD1-N 3.16Å; D847-I850 HydrophobicContact CB-CD1 3.93Å; D847-I850 HydrophobicContact CB-CG1 4.1Å; D847-I850 WeakPolarHBondContact O-CB 3.45Å; D847-I850 WeakPolarHBondContact O-CD1 3.38Å; D847-I850 VanDerWaalsContact O-CG1 3.29Å; D847-I850 WeakPolarHBondContact O-CG1 3.44Å; D847-I850 PolarHBondContact O-N 3.31Å; D847-R853 IonicContact OD1-NH2 3.79Å; D847-R853 IonicContact OD2-CZ 3.42Å; D847-R853 IonicContact OD2-NH1 2.95Å; D847-R853 PolarHBondContact OD2-NH1 3.45Å; D847-R853 IonicContact OD2-NH2 3.2Å; D847-R853 PolarHBondContact OD2-NH2 2.89Å
848P93.6Very high88.6Confident0 Ų047.8 Ų47.80%024%0.239CC..G310 helixtrans-57.7-21.7174.4-28.237.7000114.3I850 V851 Y875 L876P848-I850 PolarHBondContact O-N 3.07Å; P848-V851 WeakPolarHBondContact O-CB 3.29Å; P848-V851 WeakPolarHBondContact O-CG2 3.48Å; P848-V851 PolarHBondContact O-N 2.92Å; P848-V851 VanDerWaalsContact O-N 3.14Å; P848-Y875 WeakPolarHBondContact CG-O 3.5Å; P848-L876 HydrophobicContact CB-CD2 3.95Å; P848-L876 HydrophobicContact CB-CG 4.29Å; P848-L876 HydrophobicContact CG-CD2 4.28Å
849L93.3Very high89.1Confident25 Ų2543.5 Ų43.513%0.13121%0.21CC..G310 helixtrans-71.7-9.7-179-51178000112.2D847 V851 L852 A930 A931 I934D847-L849 PolarHBondContact O-N 3.05Å; D847-L849 VanDerWaalsContact O-N 3.12Å; D847-L849 VanDerWaalsContact OD1-CB 3.25Å; D847-L849 WeakPolarHBondContact OD1-CB 3.47Å; D847-L849 PolarHBondContact OD1-N 3.16Å; L849-V851 PolarHBondContact O-N 3.08Å; L849-L852 PolarHBondContact O-N 3.49Å; L849-A930 HydrophobicContact CD1-CB 4.11Å; L849-A931 HydrophobicContact CD2-CB 3.76Å; L849-I934 HydrophobicContact CD1-CD1 4.48Å; L849-I934 HydrophobicContact CD2-CD1 4.43Å
850I91.8Very high89.2Confident15 Ų1544 Ų448%0.07721%0.211CC..G310 helixtrans-56.3-32.8167.4-65.6167.5000111.2V824 Y839 L844 D847 P848 L852 R853V824-I850 HydrophobicContact CG1-CG2 4.18Å; Y839-I850 HydrophobicContact CD1-CD1 4.11Å; Y839-I850 HydrophobicContact CD1-CG2 4.24Å; Y839-I850 HydrophobicContact CD2-CG2 3.89Å; Y839-I850 HydrophobicContact CE1-CD1 4.05Å; Y839-I850 HydrophobicContact CE1-CG2 4.07Å; Y839-I850 HydrophobicContact CE2-CG2 3.69Å; Y839-I850 HydrophobicContact CG-CG2 4.17Å; L844-I850 HydrophobicContact CD2-CB 3.78Å; L844-I850 HydrophobicContact CD2-CD1 4.1Å; L844-I850 HydrophobicContact CD2-CG2 3.52Å; D847-I850 HydrophobicContact CB-CD1 3.93Å; D847-I850 HydrophobicContact CB-CG1 4.1Å; D847-I850 WeakPolarHBondContact O-CB 3.45Å; D847-I850 WeakPolarHBondContact O-CD1 3.38Å; D847-I850 VanDerWaalsContact O-CG1 3.29Å; D847-I850 WeakPolarHBondContact O-CG1 3.44Å; D847-I850 PolarHBondContact O-N 3.31Å; P848-I850 PolarHBondContact O-N 3.07Å; I850-L852 PolarHBondContact O-N 3.18Å; I850-R853 PolarHBondContact O-N 3.06Å
851V92.2Very high89.4Confident3 Ų341.1 Ų41.12%0.01819%0.194CC..G310 helixtrans-60.2-31.5176.6179.70000111.8V824 P848 L849 R853 C854 V868 M871 L872 Y875V824-V851 HydrophobicContact CG2-CG2 4.08Å; P848-V851 WeakPolarHBondContact O-CB 3.29Å; P848-V851 WeakPolarHBondContact O-CG2 3.48Å; P848-V851 PolarHBondContact O-N 2.92Å; P848-V851 VanDerWaalsContact O-N 3.14Å; L849-V851 PolarHBondContact O-N 3.08Å; V851-R853 VanDerWaalsContact C-N 3.32Å; V851-C854 PolarHBondContact O-SG 3.45Å; V851-C854 VanDerWaalsContact O-SG 3.35Å; V851-V868 HydrophobicContact CG1-CG1 3.98Å; V851-V868 WeakPolarHBondContact CG1-O 3.2Å; V851-M871 HydrophobicContact CG1-CB 4.06Å; V851-M871 HydrophobicContact CG1-CE 4.31Å; V851-L872 HydrophobicContact CG1-CB 4.2Å; V851-Y875 HydrophobicContact CG2-CD2 3.73Å; V851-Y875 HydrophobicContact CG2-CE2 4.34Å
852L91.2Very high89.7Confident11 Ų1140.7 Ų40.76%0.05819%0.192CC..G310 helixtrans-91.317.3176.6-61.9173.8000113.3L849 I850 Y859 V868 L872 I934 L935 I938L849-L852 PolarHBondContact O-N 3.49Å; I850-L852 PolarHBondContact O-N 3.18Å; L852-Y859 PolarHBondContact O-OH 2.96Å; L852-V868 HydrophobicContact CD2-CG1 4.2Å; L852-L872 HydrophobicContact CD1-CD1 4.15Å; L852-L872 HydrophobicContact CD1-CD2 3.87Å; L852-L872 HydrophobicContact CD2-CD2 4.18Å; L852-L872 HydrophobicContact CG-CD1 4.28Å; L852-L872 HydrophobicContact CG-CD2 4.19Å; L852-I934 HydrophobicContact CB-CG2 4.1Å; L852-I934 HydrophobicContact CD1-CB 4.03Å; L852-I934 HydrophobicContact CD1-CD1 4.36Å; L852-I934 HydrophobicContact CD1-CG2 3.8Å; L852-I934 HydrophobicContact CG-CG2 4.43Å; L852-L935 HydrophobicContact CD2-CD2 3.95Å; L852-I938 HydrophobicContact CD2-CD1 4.25Å
853R87.9Confident90.1Very high132 Ų13238 Ų3850%0.49818%0.178SC..G310 helixtrans-112.425.1172.2-58.2179.4-165.7136.213.1112.1P829 D847 I850 V851P829-R853 WeakPolarHBondContact CD-O 3.29Å; D847-R853 IonicContact OD1-NH2 3.79Å; D847-R853 IonicContact OD2-CZ 3.42Å; D847-R853 IonicContact OD2-NH1 2.95Å; D847-R853 PolarHBondContact OD2-NH1 3.45Å; D847-R853 IonicContact OD2-NH2 3.2Å; D847-R853 PolarHBondContact OD2-NH2 2.89Å; I850-R853 PolarHBondContact O-N 3.06Å; V851-R853 VanDerWaalsContact C-N 3.32Å
854C88Confident90.3Very high12 Ų1235.4 Ų35.48%0.08116%0.164CC..SBendtrans-76.5175.3177.152.10000113.1L827 V851 Q856L827-C854 HydrophobicContact CB-CB 4.11Å; L827-C854 CarbonylContact O-C 3.57Å; L827-C854 VanDerWaalsContact O-CA 3.3Å; L827-C854 WeakPolarHBondContact O-CA 3.46Å; L827-C854 WeakPolarHBondContact O-CB 3.15Å; V851-C854 PolarHBondContact O-SG 3.45Å; V851-C854 VanDerWaalsContact O-SG 3.35Å; C854-Q856 PolarHBondContact O-N 2.97Å
855D88.3Confident90.5Very high16 Ų1635.4 Ų35.49%0.08616%0.164CC..  trans-57.3121.3174.3-171-53.3000111.2L792 L827 R857 V858L792-D855 HydrophobicContact CD1-CB 4.23Å; L827-D855 PolarHBondContact O-N 3.38Å; D855-R857 PolarHBondContact O-N 3.4Å; D855-R857 VanDerWaalsContact OD1-CB 3.3Å; D855-R857 WeakPolarHBondContact OD1-CB 3.46Å; D855-R857 WeakPolarHBondContact OD1-CG 3.38Å; D855-R857 IonicContact OD1-CZ 3.43Å; D855-R857 PolarHBondContact OD1-N 2.84Å; D855-R857 IonicContact OD1-NE 3.31Å; D855-R857 PolarHBondContact OD1-NE 2.86Å; D855-R857 IonicContact OD1-NH2 2.71Å; D855-R857 IonicContact OD2-CZ 2.69Å; D855-R857 IonicContact OD2-NE 3.77Å; D855-R857 PolarHBondContact OD2-NE 2.96Å; D855-R857 IonicContact OD2-NH2 2.92Å; D855-R857 PolarHBondContact OD2-NH2 3.07Å; D855-V858 WeakPolarHBondContact O-CB 3.43Å; D855-V858 WeakPolarHBondContact O-CG2 3.3Å; D855-V858 PolarHBondContact O-N 3.46Å
856Q86.5Confident90.8Very high157 Ų15736 Ų3673%0.73417%0.168SC*.G310 helixtrans-58.1-19.6-173.7-68.5-179.6-20.100114.1C854 V858 Y859C854-Q856 PolarHBondContact O-N 2.97Å; Q856-V858 PolarHBondContact O-N 2.94Å; Q856-Y859 HydrophobicContact CB-CD2 4.27Å; Q856-Y859 HydrophobicContact CB-CE2 4.48Å; Q856-Y859 HydrophobicContact CG-CD2 4.41Å; Q856-Y859 HydrophobicContact CG-CE2 4.18Å; Q856-Y859 WeakPolarHBondContact O-CB 3.47Å; Q856-Y859 PolarHBondContact O-N 3.3Å; Q856-Y859 VanDerWaalsContact O-N 3.09Å
857R88.1Confident91Very high104 Ų10432.3 Ų32.339%0.39215%0.146SC..G310 helixtrans-63.1-22.2173.8-64.2175.5-69.1160.1-6.4112.9L792 D855 Y859 R860L792-R857 HydrophobicContact CB-CB 4.31Å; L792-R857 HydrophobicContact CD1-CB 4.35Å; L792-R857 HydrophobicContact CD2-CB 4.08Å; L792-R857 HydrophobicContact CG-CB 4.49Å; L792-R857 PolarHBondContact O-NH1 3.24Å; D855-R857 PolarHBondContact O-N 3.4Å; D855-R857 VanDerWaalsContact OD1-CB 3.3Å; D855-R857 WeakPolarHBondContact OD1-CB 3.46Å; D855-R857 WeakPolarHBondContact OD1-CG 3.38Å; D855-R857 IonicContact OD1-CZ 3.43Å; D855-R857 PolarHBondContact OD1-N 2.84Å; D855-R857 IonicContact OD1-NE 3.31Å; D855-R857 PolarHBondContact OD1-NE 2.86Å; D855-R857 IonicContact OD1-NH2 2.71Å; D855-R857 IonicContact OD2-CZ 2.69Å; D855-R857 IonicContact OD2-NE 3.77Å; D855-R857 PolarHBondContact OD2-NE 2.96Å; D855-R857 IonicContact OD2-NH2 2.92Å; D855-R857 PolarHBondContact OD2-NH2 3.07Å; R857-Y859 PolarHBondContact O-N 3.07Å; R857-R860 PolarHBondContact O-N 3.33Å
858V90.4Very high91.2Very high0 Ų030.4 Ų30.40%014%0.135CC..G310 helixtrans-62-31.9173.7178.80000111.3L792 L827 D855 Q856 R860 C861 L864 M865 V868L792-V858 HydrophobicContact CD1-CG2 3.87Å; L792-V858 HydrophobicContact CD2-CG2 4.12Å; L827-V858 HydrophobicContact CD2-CG2 4.28Å; D855-V858 WeakPolarHBondContact O-CB 3.43Å; D855-V858 WeakPolarHBondContact O-CG2 3.3Å; D855-V858 PolarHBondContact O-N 3.46Å; Q856-V858 PolarHBondContact O-N 2.94Å; V858-R860 PolarHBondContact O-N 2.93Å; V858-C861 PolarHBondContact O-N 2.66Å; V858-L864 HydrophobicContact CG1-CB 3.94Å; V858-M865 HydrophobicContact CG1-SD 4.49Å; V858-V868 HydrophobicContact CG1-CG2 3.94Å
859Y90.4Very high91.3Very high30 Ų3030.8 Ų30.812%0.11814%0.137CC..G310 helixtrans-69.2-0.4179.1-55.8-25000114.7L852 Q856 R857 M865 I938L852-Y859 PolarHBondContact O-OH 2.96Å; Q856-Y859 HydrophobicContact CB-CD2 4.27Å; Q856-Y859 HydrophobicContact CB-CE2 4.48Å; Q856-Y859 HydrophobicContact CG-CD2 4.41Å; Q856-Y859 HydrophobicContact CG-CE2 4.18Å; Q856-Y859 WeakPolarHBondContact O-CB 3.47Å; Q856-Y859 PolarHBondContact O-N 3.3Å; Q856-Y859 VanDerWaalsContact O-N 3.09Å; R857-Y859 PolarHBondContact O-N 3.07Å; Y859-M865 HydrophobicContact CD1-CE 4.28Å; Y859-M865 HydrophobicContact CD1-SD 3.79Å; Y859-M865 HydrophobicContact CE1-SD 4.31Å; Y859-I938 HydrophobicContact CD1-CD1 3.97Å; Y859-I938 HydrophobicContact CD1-CG1 4.26Å; Y859-I938 HydrophobicContact CD1-CG2 4.07Å; Y859-I938 HydrophobicContact CD2-CD1 4.44Å; Y859-I938 HydrophobicContact CD2-CG1 4.05Å; Y859-I938 HydrophobicContact CE1-CD1 3.6Å; Y859-I938 HydrophobicContact CE1-CG1 4.24Å; Y859-I938 HydrophobicContact CE2-CD1 4.09Å; Y859-I938 HydrophobicContact CE2-CG1 4Å; Y859-I938 HydrophobicContact CG-CD1 4.39Å; Y859-I938 HydrophobicContact CG-CG1 4.18Å; Y859-I938 HydrophobicContact CG-CG2 3.94Å
860R89.7Confident91.3Very high59 Ų5930.6 Ų30.622%0.22314%0.136CC..G310 helixtrans-128.922.8169.8-61.2-62.5-176-96.64.3112.1R857 V858 I938 L940 E945R857-R860 PolarHBondContact O-N 3.33Å; V858-R860 PolarHBondContact O-N 2.93Å; R860-I938 PolarHBondContact NH1-O 3.36Å; R860-L940 PolarHBondContact NH2-O 2.94Å; R860-E945 WeakPolarHBondContact CD-OE1 3.26Å; R860-E945 IonicContact CZ-OE1 3.88Å; R860-E945 IonicContact CZ-OE2 3.69Å; R860-E945 IonicContact NE-OE1 2.66Å; R860-E945 PolarHBondContact NE-OE1 2.82Å; R860-E945 IonicContact NE-OE2 2.84Å; R860-E945 PolarHBondContact NE-OE2 3.46Å; R860-E945 IonicContact NH2-OE1 2.89Å; R860-E945 IonicContact NH2-OE2 3.7Å; R860-E945 PolarHBondContact NH2-OE2 2.68Å
861C90.4Very high91.4Very high13 Ų1330 Ų309%0.08813%0.132CC..  trans-129.685.4177.4-173.30000110.1L792 V858 P863 L864 M865L792-C861 HydrophobicContact CD2-CB 4.16Å; V858-C861 PolarHBondContact O-N 2.66Å; C861-P863 VanDerWaalsContact C-CD 3.48Å; C861-P863 VanDerWaalsContact O-N 3.17Å; C861-L864 HydrophobicContact CB-CB 4.38Å; C861-L864 PolarHBondContact O-N 3.14Å; C861-M865 PolarHBondContact O-N 3.16Å
862P91.9Very high91.5Very high2 Ų229.8 Ų29.81%0.01313%0.132CC..Hα-helixtrans-50-43.2-171.7-23.327.7000115.2L864 M865 D866 D988 E991 V992 L995P862-L864 VanDerWaalsContact C-N 3.25Å; P862-L864 PolarHBondContact O-N 3.16Å; P862-M865 PolarHBondContact O-N 2.88Å; P862-D866 WeakPolarHBondContact O-CB 3.36Å; P862-D866 PolarHBondContact O-N 3.39Å; P862-D988 WeakPolarHBondContact CD-OD1 3.31Å; P862-D988 HydrophobicContact CG-CB 4.17Å; P862-D988 VanDerWaalsContact CG-OD1 3.28Å; P862-D988 WeakPolarHBondContact CG-OD1 3.27Å; P862-E991 HydrophobicContact CB-CB 3.87Å; P862-E991 HydrophobicContact CG-CB 3.55Å; P862-E991 HydrophobicContact CG-CG 4.41Å; P862-V992 HydrophobicContact CB-CG2 4.37Å; P862-V992 HydrophobicContact CG-CG2 4.07Å; P862-L995 HydrophobicContact CB-CD1 4Å
863P92.8Very high91.6Very high8 Ų830.5 Ų30.55%0.05214%0.135CC..Hα-helixtrans-71-13.9-179.9-18.533.5000115L801 Q802 N805 C861 I867L801-P863 HydrophobicContact CB-CB 4.08Å; L801-P863 HydrophobicContact CB-CG 3.96Å; Q802-P863 HydrophobicContact CG-CG 4.42Å; N805-P863 HydrophobicContact CB-CB 4.12Å; C861-P863 VanDerWaalsContact C-CD 3.48Å; C861-P863 VanDerWaalsContact O-N 3.17Å; P863-I867 WeakPolarHBondContact O-CD1 3.39Å
864L92.4Very high91.8Very high3 Ų324.2 Ų24.22%0.01611%0.112CC..Hα-helixtrans-97.9-30.6170.5-65.7179.7000111.3L792 L801 L804 V858 C861 P862 I867 V868L792-L864 HydrophobicContact CD2-CD1 3.65Å; L792-L864 HydrophobicContact CG-CD1 4.12Å; L801-L864 HydrophobicContact CD2-CD1 4.38Å; L801-L864 HydrophobicContact CD2-CG 4.45Å; L804-L864 HydrophobicContact CD2-CD2 4.13Å; V858-L864 HydrophobicContact CG1-CB 3.94Å; C861-L864 HydrophobicContact CB-CB 4.38Å; C861-L864 PolarHBondContact O-N 3.14Å; P862-L864 VanDerWaalsContact C-N 3.25Å; P862-L864 PolarHBondContact O-N 3.16Å; L864-I867 HydrophobicContact CD2-CD1 4.14Å; L864-I867 PolarHBondContact O-N 3.45Å; L864-V868 WeakPolarHBondContact O-CG2 3.47Å; L864-V868 PolarHBondContact O-N 3.18Å
865M94.1Very high92.1Very high0 Ų023.7 Ų23.70%011%0.108CC..Hα-helixtrans-64.6-40.4171.8-169.661.7-174.700111.6V858 Y859 C861 P862 I867 V868 L869 L935 I938 V992 I996V858-M865 HydrophobicContact CG1-SD 4.49Å; Y859-M865 HydrophobicContact CD1-CE 4.28Å; Y859-M865 HydrophobicContact CD1-SD 3.79Å; Y859-M865 HydrophobicContact CE1-SD 4.31Å; C861-M865 PolarHBondContact O-N 3.16Å; P862-M865 PolarHBondContact O-N 2.88Å; M865-I867 VanDerWaalsContact C-N 3.34Å; M865-I867 PolarHBondContact O-N 3.2Å; M865-V868 CarbonylContact O-C 3.58Å; M865-V868 PolarHBondContact O-N 3.1Å; M865-V868 VanDerWaalsContact O-N 3.08Å; M865-V868 HydrophobicContact SD-CB 4.5Å; M865-V868 HydrophobicContact SD-CG1 4.39Å; M865-L869 HydrophobicContact CE-CD2 4.03Å; M865-L869 HydrophobicContact CE-CG 4.14Å; M865-L869 HydrophobicContact CG-CD1 4.14Å; M865-L869 HydrophobicContact CG-CG 4.37Å; M865-L869 WeakPolarHBondContact O-CB 3.5Å; M865-L869 VanDerWaalsContact O-CG 3.29Å; M865-L869 WeakPolarHBondContact O-CG 3.49Å; M865-L869 PolarHBondContact O-N 3.36Å; M865-L935 HydrophobicContact CE-CD2 4.05Å; M865-I938 HydrophobicContact CE-CD1 4.22Å; M865-I938 HydrophobicContact CE-CG2 4.01Å; M865-V992 HydrophobicContact CB-CG2 4.08Å; M865-V992 HydrophobicContact CG-CG1 4.11Å; M865-V992 HydrophobicContact CG-CG2 4.14Å; M865-I996 HydrophobicContact CE-CD1 4.06Å; M865-I996 HydrophobicContact CE-CG1 4.18Å
866D94.3Very high92.3Very high45 Ų4523.1 Ų23.124%0.24111%0.105CC..Hα-helixtrans-52.4-49.8172-170.144.6000111.5N805 M809 P862 V868 L869 H870 L995N805-D866 PolarHBondContact ND2-OD2 3.37Å; M809-D866 WeakPolarHBondContact CE-OD2 3.08Å; P862-D866 WeakPolarHBondContact O-CB 3.36Å; P862-D866 PolarHBondContact O-N 3.39Å; D866-V868 PolarHBondContact O-N 3.13Å; D866-L869 PolarHBondContact O-N 3.11Å; D866-H870 WeakPolarHBondContact O-CB 3.29Å; D866-H870 PolarHBondContact O-N 2.99Å; D866-L995 HydrophobicContact CB-CD1 4.15Å
867I93.8Very high92.6Very high2 Ų218 Ų181%0.018%0.082CC..Hα-helixtrans-59.6-42.2174.3-66.8172.2000112L804 N805 W808 P863 L864 M865 H870 M871L804-I867 HydrophobicContact CD2-CD1 4.49Å; N805-I867 HydrophobicContact CB-CD1 4.36Å; N805-I867 WeakPolarHBondContact OD1-CG1 3.43Å; W808-I867 HydrophobicContact CB-CD1 3.9Å; W808-I867 HydrophobicContact CB-CG1 4.44Å; W808-I867 HydrophobicContact CD2-CB 4.4Å; W808-I867 HydrophobicContact CD2-CD1 4.14Å; W808-I867 HydrophobicContact CD2-CG1 3.9Å; W808-I867 HydrophobicContact CD2-CG2 3.8Å; W808-I867 VanDerWaalsContact CE2-CG2 3.5Å; W808-I867 HydrophobicContact CE3-CB 4.44Å; W808-I867 HydrophobicContact CE3-CG1 3.88Å; W808-I867 HydrophobicContact CE3-CG2 4.2Å; W808-I867 HydrophobicContact CG-CD1 3.83Å; W808-I867 HydrophobicContact CG-CG1 4.14Å; W808-I867 HydrophobicContact CG-CG2 4.3Å; W808-I867 HydrophobicContact CH2-CG2 4.11Å; W808-I867 HydrophobicContact CZ2-CG2 3.68Å; W808-I867 HydrophobicContact CZ3-CG1 4.46Å; W808-I867 HydrophobicContact CZ3-CG2 4.35Å; P863-I867 WeakPolarHBondContact O-CD1 3.39Å; L864-I867 HydrophobicContact CD2-CD1 4.14Å; L864-I867 PolarHBondContact O-N 3.45Å; M865-I867 VanDerWaalsContact C-N 3.34Å; M865-I867 PolarHBondContact O-N 3.2Å; I867-H870 PolarHBondContact O-N 3.02Å; I867-M871 HydrophobicContact CG2-CE 4.03Å; I867-M871 WeakPolarHBondContact O-CG 3.45Å; I867-M871 PolarHBondContact O-N 2.68Å
868V94.7Very high92.7Very high1 Ų113 Ų131%0.0066%0.063CC..Hα-helixtrans-66.7-41.3178.4165.80000112L827 V851 L852 V858 L864 M865 D866 M871 L872L827-V868 HydrophobicContact CD1-CG2 4.08Å; V851-V868 HydrophobicContact CG1-CG1 3.98Å; V851-V868 WeakPolarHBondContact CG1-O 3.2Å; L852-V868 HydrophobicContact CD2-CG1 4.2Å; V858-V868 HydrophobicContact CG1-CG2 3.94Å; L864-V868 WeakPolarHBondContact O-CG2 3.47Å; L864-V868 PolarHBondContact O-N 3.18Å; M865-V868 CarbonylContact O-C 3.58Å; M865-V868 PolarHBondContact O-N 3.1Å; M865-V868 VanDerWaalsContact O-N 3.08Å; M865-V868 HydrophobicContact SD-CB 4.5Å; M865-V868 HydrophobicContact SD-CG1 4.39Å; D866-V868 PolarHBondContact O-N 3.13Å; V868-M871 HydrophobicContact CG2-CE 4.02Å; V868-L872 WeakPolarHBondContact O-CB 3.18Å; V868-L872 PolarHBondContact O-N 2.84Å
869L94.4Very high92.8Very high9 Ų913 Ų135%0.0476%0.064CC..Hα-helixtrans-63.6-41.6174.5-69.7168.2000111.4M865 D866 L872 N873 L935 L995 I996 L999M865-L869 HydrophobicContact CE-CD2 4.03Å; M865-L869 HydrophobicContact CE-CG 4.14Å; M865-L869 HydrophobicContact CG-CD1 4.14Å; M865-L869 HydrophobicContact CG-CG 4.37Å; M865-L869 WeakPolarHBondContact O-CB 3.5Å; M865-L869 VanDerWaalsContact O-CG 3.29Å; M865-L869 WeakPolarHBondContact O-CG 3.49Å; M865-L869 PolarHBondContact O-N 3.36Å; D866-L869 PolarHBondContact O-N 3.11Å; L869-L872 PolarHBondContact O-N 3.12Å; L869-N873 PolarHBondContact O-N 3.21Å; L869-L935 HydrophobicContact CD2-CD1 4.11Å; L869-L935 HydrophobicContact CD2-CD2 3.55Å; L869-L935 HydrophobicContact CD2-CG 4.49Å; L869-L995 HydrophobicContact CD1-CB 3.69Å; L869-I996 HydrophobicContact CD1-CG1 4.28Å; L869-I996 HydrophobicContact CD2-CG1 4.2Å; L869-L999 HydrophobicContact CB-CD2 4.12Å; L869-L999 HydrophobicContact CD2-CB 4.42Å; L869-L999 HydrophobicContact CD2-CD2 3.58Å; L869-L999 HydrophobicContact CG-CD2 4.44Å
870H93.2Very high92.9Very high21 Ų2114.4 Ų14.410%0.0977%0.07CC..Hα-helixtrans-65.2-45.6178.1-147.569000112.2D717 W808 M809 N812 D866 I867 L872 N873 G874D717-H870 IonicContact OD1-CD2 3.67Å; D717-H870 IonicContact OD1-CE1 3.79Å; D717-H870 IonicContact OD1-NE2 2.62Å; D717-H870 PolarHBondContact OD1-NE2 3.15Å; W808-H870 HydrophobicContact CH2-CB 4.24Å; W808-H870 HydrophobicContact CZ3-CB 4.17Å; W808-H870 AromaticContact CZ3-CD2 3.9Å; M809-H870 HydrophobicContact CE-CB 4.38Å; N812-H870 PolarHBondContact ND2-CD2 3.06Å; D866-H870 WeakPolarHBondContact O-CB 3.29Å; D866-H870 PolarHBondContact O-N 2.99Å; I867-H870 PolarHBondContact O-N 3.02Å; H870-L872 PolarHBondContact O-N 3.41Å; H870-N873 PolarHBondContact O-N 3.14Å; H870-G874 PolarHBondContact O-N 3.28Å
871M93.9Very high92.8Very high1 Ų112.1 Ų12.11%0.0056%0.064CC..Hα-helixtrans-61.6-41.1173-72.8-172.4-59.200112.3W808 W820 T823 V824 V851 I867 V868 G874 Y875W808-M871 HydrophobicContact CH2-CG 3.93Å; W808-M871 HydrophobicContact CZ2-CG 3.68Å; W808-M871 HydrophobicContact CZ2-SD 4.15Å; W820-M871 HydrophobicContact CB-CG 4.18Å; W820-M871 HydrophobicContact CB-SD 4.16Å; W820-M871 HydrophobicContact CG-CG 3.97Å; T823-M871 PolarHBondContact OG1-SD 3.35Å; V824-M871 HydrophobicContact CG2-CE 4.11Å; V824-M871 HydrophobicContact CG2-SD 3.86Å; V851-M871 HydrophobicContact CG1-CB 4.06Å; V851-M871 HydrophobicContact CG1-CE 4.31Å; I867-M871 HydrophobicContact CG2-CE 4.03Å; I867-M871 WeakPolarHBondContact O-CG 3.45Å; I867-M871 PolarHBondContact O-N 2.68Å; V868-M871 HydrophobicContact CG2-CE 4.02Å; M871-G874 PolarHBondContact O-N 2.88Å; M871-Y875 VanDerWaalsContact O-CD2 3.3Å; M871-Y875 WeakPolarHBondContact O-CD2 3.45Å; M871-Y875 PolarHBondContact O-N 3.3Å
872L94.7Very high92.8Very high0 Ų014.5 Ų14.50%07%0.071CC..Hα-helixtrans-61.2-48.1178.517667000111.1V851 L852 V868 L869 H870 G874 Y875 L876 A931 L935 L999V851-L872 HydrophobicContact CG1-CB 4.2Å; L852-L872 HydrophobicContact CD1-CD1 4.15Å; L852-L872 HydrophobicContact CD1-CD2 3.87Å; L852-L872 HydrophobicContact CD2-CD2 4.18Å; L852-L872 HydrophobicContact CG-CD1 4.28Å; L852-L872 HydrophobicContact CG-CD2 4.19Å; V868-L872 WeakPolarHBondContact O-CB 3.18Å; V868-L872 PolarHBondContact O-N 2.84Å; L869-L872 PolarHBondContact O-N 3.12Å; H870-L872 PolarHBondContact O-N 3.41Å; L872-G874 VanDerWaalsContact C-N 3.35Å; L872-G874 PolarHBondContact O-N 2.81Å; L872-Y875 PolarHBondContact O-N 2.88Å; L872-L876 HydrophobicContact CD1-CD1 4.14Å; L872-L876 HydrophobicContact CD1-CG 4.17Å; L872-L876 HydrophobicContact CG-CD1 4.02Å; L872-L876 HydrophobicContact CG-CG 4.44Å; L872-L876 WeakPolarHBondContact O-CB 3.36Å; L872-L876 VanDerWaalsContact O-CG 3.3Å; L872-L876 WeakPolarHBondContact O-CG 3.28Å; L872-L876 PolarHBondContact O-N 2.86Å; L872-A931 HydrophobicContact CD1-CB 4.48Å; L872-L935 HydrophobicContact CD2-CD1 3.91Å; L872-L935 HydrophobicContact CD2-CD2 4.24Å; L872-L935 HydrophobicContact CD2-CG 4.28Å; L872-L999 HydrophobicContact CD2-CD2 4.33Å
873N93.5Very high92.6Very high26 Ų2616 Ų1614%0.1398%0.079CC..Hα-helixtrans-58.6-47.3176.4-168.715.2000111.2L869 H870 Y875 L876 L877 L999L869-N873 PolarHBondContact O-N 3.21Å; H870-N873 PolarHBondContact O-N 3.14Å; N873-Y875 PolarHBondContact O-N 3.49Å; N873-L876 PolarHBondContact O-N 2.94Å; N873-L877 WeakPolarHBondContact O-CG 3.45Å; N873-L877 PolarHBondContact O-N 2.94Å; N873-L877 VanDerWaalsContact O-N 3.11Å; N873-L999 HydrophobicContact CB-CD1 4Å
874G92.1Very high92.3Very high0 Ų020.2 Ų20.20%010%0.098CC..Hα-helixtrans-56.6-46.9174.600000113.5H711 H870 M871 L872 L877 A878H711-G874 WeakPolarHBondContact CB-O 3.38Å; H870-G874 PolarHBondContact O-N 3.28Å; M871-G874 PolarHBondContact O-N 2.88Å; L872-G874 VanDerWaalsContact C-N 3.35Å; L872-G874 PolarHBondContact O-N 2.81Å; G874-L877 PolarHBondContact O-N 3.48Å; G874-A878 WeakPolarHBondContact O-CB 3.33Å; G874-A878 PolarHBondContact O-N 2.92Å
875Y94.3Very high91.8Very high0 Ų021.5 Ų21.50%011%0.107CC..Hα-helixtrans-74.2-32.5-180-80.8-63.1000113.9W820 V821 V824 Q841 L844 M845 P848 V851 M871 L872 N873 L877 A878 S879W820-Y875 HydrophobicContact CB-CE2 3.68Å; W820-Y875 WeakPolarHBondContact CB-OH 3.39Å; W820-Y875 HydrophobicContact CD2-CE2 4.38Å; W820-Y875 HydrophobicContact CE3-CD2 4.26Å; W820-Y875 HydrophobicContact CE3-CE1 4.2Å; W820-Y875 AromaticContact CE3-CE2 3.95Å; W820-Y875 HydrophobicContact CE3-CE2 3.95Å; W820-Y875 AromaticContact CE3-CZ 3.87Å; W820-Y875 HydrophobicContact CG-CE2 4.34Å; V821-Y875 WeakPolarHBondContact CG2-OH 3.33Å; V824-Y875 HydrophobicContact CG2-CE2 4.49Å; Q841-Y875 VanDerWaalsContact OE1-CE1 3.31Å; Q841-Y875 PolarHBondContact OE1-OH 3.2Å; L844-Y875 HydrophobicContact CB-CD1 3.81Å; L844-Y875 HydrophobicContact CB-CD2 4.48Å; L844-Y875 HydrophobicContact CB-CE1 3.42Å; L844-Y875 VanDerWaalsContact CB-CE1 3.42Å; L844-Y875 HydrophobicContact CB-CE2 4.11Å; L844-Y875 HydrophobicContact CB-CG 4.35Å; L844-Y875 HydrophobicContact CD1-CE1 4.34Å; L844-Y875 HydrophobicContact CD1-CE2 3.99Å; L844-Y875 WeakPolarHBondContact CD1-OH 3.42Å; L844-Y875 WeakPolarHBondContact O-CD1 3.5Å; M845-Y875 HydrophobicContact CG-CD1 4.4Å; M845-Y875 HydrophobicContact CG-CE1 4.46Å; P848-Y875 WeakPolarHBondContact CG-O 3.5Å; V851-Y875 HydrophobicContact CG2-CD2 3.73Å; V851-Y875 HydrophobicContact CG2-CE2 4.34Å; M871-Y875 VanDerWaalsContact O-CD2 3.3Å; M871-Y875 WeakPolarHBondContact O-CD2 3.45Å; M871-Y875 PolarHBondContact O-N 3.3Å; L872-Y875 PolarHBondContact O-N 2.88Å; N873-Y875 PolarHBondContact O-N 3.49Å; Y875-L877 VanDerWaalsContact C-N 3.34Å; Y875-A878 HydrophobicContact CD1-CB 4.41Å; Y875-A878 PolarHBondContact O-N 3.42Å; Y875-S879 VanDerWaalsContact O-CB 3.31Å; Y875-S879 WeakPolarHBondContact O-CB 3.36Å; Y875-S879 PolarHBondContact O-N 3.38Å
876L93.4Very high91.3Very high4 Ų425.3 Ų25.32%0.02113%0.125CC..Hα-helixtrans-61.5-43.1171.1-72.2171.7000111P848 L872 N873 K880 Q927 A931 M1003P848-L876 HydrophobicContact CB-CD2 3.95Å; P848-L876 HydrophobicContact CB-CG 4.29Å; P848-L876 HydrophobicContact CG-CD2 4.28Å; L872-L876 HydrophobicContact CD1-CD1 4.14Å; L872-L876 HydrophobicContact CD1-CG 4.17Å; L872-L876 HydrophobicContact CG-CD1 4.02Å; L872-L876 HydrophobicContact CG-CG 4.44Å; L872-L876 WeakPolarHBondContact O-CB 3.36Å; L872-L876 VanDerWaalsContact O-CG 3.3Å; L872-L876 WeakPolarHBondContact O-CG 3.28Å; L872-L876 PolarHBondContact O-N 2.86Å; N873-L876 PolarHBondContact O-N 2.94Å; L876-K880 VanDerWaalsContact O-CG 3.27Å; L876-K880 WeakPolarHBondContact O-CG 3.47Å; L876-K880 PolarHBondContact O-N 3.37Å; L876-Q927 HydrophobicContact CD2-CG 3.94Å; L876-A931 HydrophobicContact CD1-CB 4.14Å; L876-A931 HydrophobicContact CD2-CB 4.49Å; L876-M1003 HydrophobicContact CD1-CE 4.1Å
877L91.8Very high90.7Very high49 Ų4924.7 Ų24.726%0.25712%0.121SC..Hα-helixtrans-68-35173.1-67.6177.5000112.9H711 L714 N873 G874 Y875 K880 A881H711-L877 HydrophobicContact CB-CB 3.83Å; L714-L877 HydrophobicContact CD2-CD1 3.54Å; L714-L877 HydrophobicContact CG-CD1 4.18Å; N873-L877 WeakPolarHBondContact O-CG 3.45Å; N873-L877 PolarHBondContact O-N 2.94Å; N873-L877 VanDerWaalsContact O-N 3.11Å; G874-L877 PolarHBondContact O-N 3.48Å; Y875-L877 VanDerWaalsContact C-N 3.34Å; L877-K880 HydrophobicContact CD2-CD 4.38Å; L877-K880 PolarHBondContact O-N 2.99Å; L877-A881 PolarHBondContact O-N 2.96Å; L877-A881 VanDerWaalsContact O-N 3.1Å
878A90.7Very high89.8Confident0 Ų029.4 Ų29.40%014%0.142CC..Hα-helixtrans-68.2-39.9176.200000112.2H711 M845 G874 Y875 A881 Y882H711-A878 HydrophobicContact CB-CB 4.07Å; M845-A878 HydrophobicContact CG-CB 3.92Å; G874-A878 WeakPolarHBondContact O-CB 3.33Å; G874-A878 PolarHBondContact O-N 2.92Å; Y875-A878 HydrophobicContact CD1-CB 4.41Å; Y875-A878 PolarHBondContact O-N 3.42Å; A878-A881 PolarHBondContact O-N 3.49Å; A878-Y882 VanDerWaalsContact O-CB 3.27Å; A878-Y882 WeakPolarHBondContact O-CB 3.42Å; A878-Y882 PolarHBondContact O-N 3.12Å
879S92.6Very high88.8Confident1 Ų133.8 Ų33.81%0.00716%0.162CC..Hα-helixtrans-61.7-45.1172.6170.20000111.8M845 Y875 A881 Y882 L883 Q927M845-S879 VanDerWaalsContact O-CA 3.31Å; M845-S879 WeakPolarHBondContact O-CA 3.41Å; M845-S879 VanDerWaalsContact O-CB 3.26Å; M845-S879 WeakPolarHBondContact O-CB 3.37Å; Y875-S879 VanDerWaalsContact O-CB 3.31Å; Y875-S879 WeakPolarHBondContact O-CB 3.36Å; Y875-S879 PolarHBondContact O-N 3.38Å; S879-A881 PolarHBondContact O-N 2.64Å; S879-Y882 PolarHBondContact O-N 3.5Å; S879-L883 WeakPolarHBondContact O-CB 3.14Å; S879-L883 WeakPolarHBondContact O-CG 3.47Å; S879-L883 PolarHBondContact O-N 3.44Å; S879-Q927 PolarHBondContact OG-NE2 3.24Å; S879-Q927 PolarHBondContact OG-OE1 2.93Å
880K91.3Very high87.7Confident59 Ų5934.8 Ų34.826%0.25717%0.169SC..Hα-helixtrans-55.8-47.9173.7-73.9167.3179.3176.70112.1L876 L877 Q884 L924 D928L876-K880 VanDerWaalsContact O-CG 3.27Å; L876-K880 WeakPolarHBondContact O-CG 3.47Å; L876-K880 PolarHBondContact O-N 3.37Å; L877-K880 HydrophobicContact CD2-CD 4.38Å; L877-K880 PolarHBondContact O-N 2.99Å; K880-Q884 WeakPolarHBondContact O-CB 3.32Å; K880-Q884 PolarHBondContact O-N 3.49Å; K880-L924 HydrophobicContact CB-CD2 4.36Å; K880-L924 HydrophobicContact CG-CD1 4.01Å; K880-L924 HydrophobicContact CG-CD2 3.51Å; K880-L924 HydrophobicContact CG-CG 4.28Å; K880-D928 VanDerWaalsContact CE-OD1 3.3Å; K880-D928 WeakPolarHBondContact CE-OD1 3.49Å; K880-D928 WeakPolarHBondContact CE-OD2 3.38Å; K880-D928 IonicContact NZ-OD1 2.67Å; K880-D928 PolarHBondContact NZ-OD1 3.33Å; K880-D928 IonicContact NZ-OD2 2.78Å; K880-D928 PolarHBondContact NZ-OD2 3.31Å
881A89.3Confident86.1Confident10 Ų1036 Ų368%0.08318%0.182CC..Hα-helixtrans-67.1-42.717700000112.9P710 L877 A878 S879 Q884 C885P710-A881 HydrophobicContact CG-CB 3.86Å; L877-A881 PolarHBondContact O-N 2.96Å; L877-A881 VanDerWaalsContact O-N 3.1Å; A878-A881 PolarHBondContact O-N 3.49Å; S879-A881 PolarHBondContact O-N 2.64Å; A881-Q884 PolarHBondContact O-N 3.26Å; A881-C885 PolarHBondContact O-N 3.14Å; A881-C885 PolarHBondContact O-SG 3.48Å
882Y88.9Confident84.2Confident63 Ų6338.1 Ų38.125%0.24719%0.194CC..Hα-helixtrans-59.4-52.4178.4175.1-104.2000111.8M845 V846 A878 S879 Q884 C885 H886M845-Y882 HydrophobicContact CE-CD2 3.77Å; M845-Y882 HydrophobicContact CE-CG 4.09Å; V846-Y882 HydrophobicContact CG2-CD1 4.39Å; V846-Y882 HydrophobicContact CG2-CE1 3.74Å; A878-Y882 VanDerWaalsContact O-CB 3.27Å; A878-Y882 WeakPolarHBondContact O-CB 3.42Å; A878-Y882 PolarHBondContact O-N 3.12Å; S879-Y882 PolarHBondContact O-N 3.5Å; Y882-Q884 VanDerWaalsContact C-N 3.27Å; Y882-Q884 PolarHBondContact O-N 2.91Å; Y882-C885 PolarHBondContact O-N 3.26Å; Y882-C885 VanDerWaalsContact O-N 3.12Å; Y882-H886 WeakPolarHBondContact O-CB 3.44Å; Y882-H886 PolarHBondContact O-N 2.95Å
883L88.3Confident82.1Confident34 Ų3443.5 Ų43.518%0.17822%0.217CC..Hα-helixtrans-63.5-33.1178.8-68.5176.6000112.1S879 L887 K920 L923 L924S879-L883 WeakPolarHBondContact O-CB 3.14Å; S879-L883 WeakPolarHBondContact O-CG 3.47Å; S879-L883 PolarHBondContact O-N 3.44Å; L883-L887 VanDerWaalsContact O-CB 3.25Å; L883-L887 WeakPolarHBondContact O-CB 3.19Å; L883-L887 PolarHBondContact O-N 2.95Å; L883-K920 HydrophobicContact CB-CG 4.14Å; L883-L923 HydrophobicContact CD1-CD2 4.02Å; L883-L924 HydrophobicContact CD1-CD2 3.82Å; L883-L924 HydrophobicContact CD1-CG 4.16Å
884Q85.9Confident80Confident96 Ų9644.7 Ų44.745%0.44922%0.224SC..Hα-helixtrans-68.5-33.9174.3-166.9-176.414.600113K880 A881 Y882 K888K880-Q884 WeakPolarHBondContact O-CB 3.32Å; K880-Q884 PolarHBondContact O-N 3.49Å; A881-Q884 PolarHBondContact O-N 3.26Å; Y882-Q884 VanDerWaalsContact C-N 3.27Å; Y882-Q884 PolarHBondContact O-N 2.91Å; Q884-K888 WeakPolarHBondContact O-CD 2.8Å; Q884-K888 WeakPolarHBondContact O-CG 3.21Å
885C82.6Confident78.1Confident31 Ų3153.3 Ų53.321%0.20926%0.256CS..Hα-helixtrans-78-47.7174.7-65.20000111.6L654 A881 Y882 L887 K888 E889L654-C885 HydrophobicContact CD1-CB 4.44Å; L654-C885 HydrophobicContact CD2-CB 4.37Å; A881-C885 PolarHBondContact O-N 3.14Å; A881-C885 PolarHBondContact O-SG 3.48Å; Y882-C885 PolarHBondContact O-N 3.26Å; Y882-C885 VanDerWaalsContact O-N 3.12Å; C885-L887 PolarHBondContact O-N 2.96Å; C885-K888 WeakPolarHBondContact O-CA 3.05Å; C885-K888 WeakPolarHBondContact O-CB 3.46Å; C885-K888 PolarHBondContact O-N 3.08Å; C885-E889 PolarHBondContact O-N 3.23Å
886H83.4Confident75.8Confident80 Ų8059.6 Ų59.637%0.3729%0.285SS..Hα-helixtrans-55.9-38.1176.8-178.6-94.9000112.3Y882 E889 T890Y882-H886 WeakPolarHBondContact O-CB 3.44Å; Y882-H886 PolarHBondContact O-N 2.95Å; H886-E889 PolarHBondContact O-N 2.94Å; H886-T890 WeakPolarHBondContact O-CB 3.49Å; H886-T890 WeakPolarHBondContact O-CG2 3.46Å; H886-T890 PolarHBondContact O-N 3.16Å; H886-T890 PolarHBondContact O-OG1 3.36Å
887L82.2Confident73.6Confident32 Ų3264.3 Ų64.317%0.16831%0.31CS..Hα-helixtrans-64.8-37.1174.3-178.657.7000112.8L883 C885 A891 R916 E917 K920L883-L887 VanDerWaalsContact O-CB 3.25Å; L883-L887 WeakPolarHBondContact O-CB 3.19Å; L883-L887 PolarHBondContact O-N 2.95Å; C885-L887 PolarHBondContact O-N 2.96Å; L887-A891 WeakPolarHBondContact O-CB 2.94Å; L887-A891 PolarHBondContact O-N 3.03Å; L887-A891 VanDerWaalsContact O-N 3.13Å; L887-R916 HydrophobicContact CD1-CB 3.56Å; L887-R916 HydrophobicContact CD1-CG 4.5Å; L887-E917 HydrophobicContact CD2-CB 4.38Å; L887-K920 HydrophobicContact CD2-CB 4.39Å; L887-K920 HydrophobicContact CD2-CD 4Å
888K75.9Confident71.6Confident100 Ų10065.7 Ų65.744%0.43532%0.316SS..Hα-helixtrans-67.8-36.7175.5-66.9166.3-1731700111.9L654 Q884 C885L654-K888 HydrophobicContact CD2-CB 4.27Å; Q884-K888 WeakPolarHBondContact O-CD 2.8Å; Q884-K888 WeakPolarHBondContact O-CG 3.21Å; C885-K888 WeakPolarHBondContact O-CA 3.05Å; C885-K888 WeakPolarHBondContact O-CB 3.46Å; C885-K888 PolarHBondContact O-N 3.08Å
889E73.6Confident69.6Low94 Ų9471.8 Ų71.844%0.43935%0.347SS..Hα-helixtrans-73.2-32.7177.8-66.2-177.9179.400113.3L654 C885 H886L654-E889 HydrophobicContact CD2-CG 3.67Å; C885-E889 PolarHBondContact O-N 3.23Å; H886-E889 PolarHBondContact O-N 2.94Å
890T69.8Low67.6Low30 Ų3077.3 Ų77.318%0.18438%0.375CS..Hα-helixtrans-94.3-11.3-175.453.10000114.8H886 D892 F893H886-T890 WeakPolarHBondContact O-CB 3.49Å; H886-T890 WeakPolarHBondContact O-CG2 3.46Å; H886-T890 PolarHBondContact O-N 3.16Å; H886-T890 PolarHBondContact O-OG1 3.36Å; T890-D892 PolarHBondContact O-N 3.27Å; T890-D892 VanDerWaalsContact O-N 3.11Å; T890-F893 PolarHBondContact O-N 3.24Å
891A60.7Low65.5Low45 Ų4577.6 Ų77.637%0.37239%0.385SS..THydrogen-bonded Turntrans-54.5-31.8-175.100000115.3L887L887-A891 WeakPolarHBondContact O-CB 2.94Å; L887-A891 PolarHBondContact O-N 3.03Å; L887-A891 VanDerWaalsContact O-N 3.13Å
892D53.1Low63.4Low47 Ų4783.6 Ų83.625%0.25142%0.415SS..Hα-helixtrans-84.3-11.6-175.1-72-40000114.3A661 T890 D894A661-D892 HydrophobicContact CB-CB 4.36Å; T890-D892 PolarHBondContact O-N 3.27Å; T890-D892 VanDerWaalsContact O-N 3.11Å; D892-D894 VanDerWaalsContact C-N 3.3Å; D892-D894 PolarHBondContact O-N 2.96Å
893F51.7Low61.6Low112 Ų11286.9 Ų86.949%0.49144%0.442SS..Hα-helixtrans-63.9-34.6175.8-90.5-79.6000112.5T890 N897T890-F893 PolarHBondContact O-N 3.24Å; F893-N897 PolarHBondContact O-N 3.13Å
894D49.3Very low59.5Low52 Ų5289 Ų8928%0.27846%0.464SS..Hα-helixtrans-76-36.2-173.6-72.77.6000112.6D892 Q896 N897 Q898 R916D892-D894 VanDerWaalsContact C-N 3.3Å; D892-D894 PolarHBondContact O-N 2.96Å; D894-Q896 PolarHBondContact O-N 2.69Å; D894-N897 CarbonylContact O-C 3.18Å; D894-N897 PolarHBondContact O-N 3.48Å; D894-N897 VanDerWaalsContact O-N 3.09Å; D894-Q898 PolarHBondContact O-N 2.9Å; D894-R916 IonicContact OD1-CZ 2.67Å; D894-R916 IonicContact OD1-NH1 3.76Å; D894-R916 PolarHBondContact OD1-NH1 3.11Å; D894-R916 IonicContact OD1-NH2 3.99Å; D894-R916 PolarHBondContact OD1-NH2 3.16Å; D894-R916 IonicContact OD2-CZ 3.52Å; D894-R916 IonicContact OD2-NE 2.68Å; D894-R916 PolarHBondContact OD2-NE 2.96Å; D894-R916 IonicContact OD2-NH1 2.61Å; D894-R916 PolarHBondContact OD2-NH1 3.25Å; D894-R916 IonicContact OD2-NH2 3.28Å; D894-R916 PolarHBondContact OD2-NH2 3.06Å
895R50.8Low57.3Low181 Ų18189 Ų8968%0.68348%0.48SS*.Hα-helixtrans-62.2-33.3177.1-99.4-176.7167.8-173.9-4.6112.6I899R895-I899 WeakPolarHBondContact O-CD1 3.3Å; R895-I899 VanDerWaalsContact O-CG1 3.27Å; R895-I899 WeakPolarHBondContact O-CG1 3.49Å; R895-I899 PolarHBondContact O-N 3.3Å
896Q47.4Very low55.4Low132 Ų13294.1 Ų94.162%0.61751%0.513SS*.Hα-helixtrans-73.1-32177-156.2163.94.700111.7D894 I900D894-Q896 PolarHBondContact O-N 2.69Å; Q896-I900 WeakPolarHBondContact O-CD1 3.23Å; Q896-I900 WeakPolarHBondContact O-CG1 3.43Å
897N47.4Very low53.6Low102 Ų10294 Ų9455%0.54553%0.534SS..Hα-helixtrans-74.9-41.3171.7-75.4-18.2000113F893 D894 I899 I900 S901F893-N897 PolarHBondContact O-N 3.13Å; D894-N897 CarbonylContact O-C 3.18Å; D894-N897 PolarHBondContact O-N 3.48Å; D894-N897 VanDerWaalsContact O-N 3.09Å; N897-I899 VanDerWaalsContact C-N 3.28Å; N897-I899 PolarHBondContact O-N 3.34Å; N897-I900 CarbonylContact O-C 3.56Å; N897-I900 WeakPolarHBondContact O-CA 3.33Å; N897-I900 WeakPolarHBondContact O-CB 3.25Å; N897-I900 PolarHBondContact O-N 3.33Å; N897-S901 PolarHBondContact O-N 3.4Å; N897-S901 PolarHBondContact O-OG 3.14Å
898Q49.5Very low51.3Low78 Ų78101 Ų10136%0.36457%0.566SS.*Hα-helixtrans-62.2-34.2178-78.7-176.7-27.400112.4D894 I900 S901 N902 E913D894-Q898 PolarHBondContact O-N 2.9Å; Q898-I900 PolarHBondContact O-N 3.5Å; Q898-S901 WeakPolarHBondContact CA-OG 3.45Å; Q898-S901 PolarHBondContact O-OG 2.98Å; Q898-S901 VanDerWaalsContact O-OG 3.12Å; Q898-N902 WeakPolarHBondContact O-CB 3.4Å; Q898-N902 PolarHBondContact O-N 2.76Å; Q898-N902 PolarHBondContact O-ND2 3.01Å; Q898-N902 PolarHBondContact O-OD1 3.41Å; Q898-E913 PolarHBondContact NE2-OE2 3.07Å
899I48.7Very low49.7Very low128 Ų128102 Ų10266%0.65658%0.582SS**Hα-helixtrans-66-27.5172.6-70.2166.8000111.9R895 N897R895-I899 WeakPolarHBondContact O-CD1 3.3Å; R895-I899 VanDerWaalsContact O-CG1 3.27Å; R895-I899 WeakPolarHBondContact O-CG1 3.49Å; R895-I899 PolarHBondContact O-N 3.3Å; N897-I899 VanDerWaalsContact C-N 3.28Å; N897-I899 PolarHBondContact O-N 3.34Å
900I50.6Low48Very low118 Ų118105.1 Ų105.161%0.60560%0.602SS**Hα-helixtrans-85.6-40.2178.4-64.1167.6000111.2Q896 N897 Q898 N902Q896-I900 WeakPolarHBondContact O-CD1 3.23Å; Q896-I900 WeakPolarHBondContact O-CG1 3.43Å; N897-I900 CarbonylContact O-C 3.56Å; N897-I900 WeakPolarHBondContact O-CA 3.33Å; N897-I900 WeakPolarHBondContact O-CB 3.25Å; N897-I900 PolarHBondContact O-N 3.33Å; Q898-I900 PolarHBondContact O-N 3.5Å; I900-N902 PolarHBondContact O-N 3.34Å
901S47.6Very low46.5Very low65 Ų65109.2 Ų109.246%0.45563%0.627SS.*Hα-helixtrans-65.7-36.1178.458.50000112.7N897 Q898 V903 A904N897-S901 PolarHBondContact O-N 3.4Å; N897-S901 PolarHBondContact O-OG 3.14Å; Q898-S901 WeakPolarHBondContact CA-OG 3.45Å; Q898-S901 PolarHBondContact O-OG 2.98Å; Q898-S901 VanDerWaalsContact O-OG 3.12Å; S901-V903 PolarHBondContact O-N 3.36Å; S901-A904 PolarHBondContact O-N 2.91Å
902N44.4Very low45.7Very low136 Ų136112.7 Ų112.773%0.72765%0.646SS**THydrogen-bonded Turntrans-716.6-175.3-67.64.4000114.5Q898 I900Q898-N902 WeakPolarHBondContact O-CB 3.4Å; Q898-N902 PolarHBondContact O-N 2.76Å; Q898-N902 PolarHBondContact O-ND2 3.01Å; Q898-N902 PolarHBondContact O-OD1 3.41Å; I900-N902 PolarHBondContact O-N 3.34Å
903V50.7Low45.4Very low131 Ų131117.7 Ų117.779%0.79467%0.668SS**THydrogen-bonded Turntrans-90.6-11.8168.7-174.30000111.7S901S901-V903 PolarHBondContact O-N 3.36Å
904A44.9Very low45.9Very low78 Ų78116.2 Ų116.265%0.64567%0.668SS**SBendtrans-114.4111.4-175.200000113.5S901S901-A904 PolarHBondContact O-N 2.91Å
905A39.2Very low47.3Very low96 Ų96117.4 Ų117.479%0.79368%0.677SS**  trans63.1110.5165.600000118.5
906P42.9Very low48.7Very low140 Ų140114 Ų11491%0.90966%0.664SS**  trans-84.7124.5165.432.9-29.9000111
907G44.1Very low50.4Low78 Ų78112.6 Ų112.680%0.80466%0.658SS**  trans143.849.5166.100000118.9
908Q35.7Very low52.3Low178 Ų178112.6 Ų112.683%0.83266%0.655SS**  trans-131.6146.9152.6-74.1-167.9-30.700109.3
909P42.3Very low54.2Low121 Ų121113.6 Ų113.679%0.78666%0.662SS**PPolyproline II helixtrans-75.1129.6172.430.8-32.1000109.6T911P909-T911 PolarHBondContact O-N 3.04Å
910D36.2Very low56.2Low159 Ų159109 Ų10985%0.8564%0.637SS**PPolyproline II helixtrans-62.2117.6-173.9-55.1-62.8000111.9
911T39Very low58.1Low116 Ų116107.4 Ų107.471%0.71263%0.63SS**PPolyproline II helixtrans-63.2140153.448.50000108.2P909 E913P909-T911 PolarHBondContact O-N 3.04Å; T911-E913 PolarHBondContact O-N 3.2Å
912P43.9Very low60.2Low119 Ų119107.1 Ų107.177%0.77363%0.632SS**PPolyproline II helixtrans-59116.2179.424.6-33.6000110.2V914P912-V914 PolarHBondContact O-N 2.84Å
913E47.3Very low62.5Low151 Ų151105.1 Ų105.171%0.70662%0.621SS**  trans-63.7101175.4-70.6-166135.400109.1Q898 T911 T915Q898-E913 PolarHBondContact NE2-OE2 3.07Å; T911-E913 PolarHBondContact O-N 3.2Å; E913-T915 PolarHBondContact O-N 3.31Å
914V61.2Low64.5Low82 Ų8299.8 Ų99.850%0.49759%0.587SS.*  trans-55.3113.5177.1-179.20000108.4P912 E918 L919P912-V914 PolarHBondContact O-N 2.84Å; V914-E918 HydrophobicContact CG1-CB 4.14Å; V914-E918 HydrophobicContact CG1-CG 3.94Å; V914-L919 HydrophobicContact CB-CD2 4.48Å; V914-L919 HydrophobicContact CG1-CD2 3.69Å; V914-L919 HydrophobicContact CG1-CG 3.96Å
915T79.9Confident66.8Low77 Ų7797.6 Ų97.647%0.47257%0.569SS.*  trans-68.2151.5-167.467.40000111E913 E917 E918 L919E913-T915 PolarHBondContact O-N 3.31Å; T915-E917 PolarHBondContact O-N 3.13Å; T915-E917 VanDerWaalsContact O-N 3.14Å; T915-E918 WeakPolarHBondContact O-CA 3.27Å; T915-E918 WeakPolarHBondContact O-CB 3.32Å; T915-E918 PolarHBondContact O-N 3.27Å; T915-E918 WeakPolarHBondContact OG1-CB 3.28Å; T915-E918 PolarHBondContact OG1-N 3.01Å; T915-L919 PolarHBondContact O-N 2.99Å
916R79.8Confident69.4Low108 Ų10895.4 Ų95.441%0.40855%0.551SS.*Hα-helixtrans-59.5-26.1174.8-76.9-168.2170144.716.4113.6L887 D894 K920L887-R916 HydrophobicContact CD1-CB 3.56Å; L887-R916 HydrophobicContact CD1-CG 4.5Å; D894-R916 IonicContact OD1-CZ 2.67Å; D894-R916 IonicContact OD1-NH1 3.76Å; D894-R916 PolarHBondContact OD1-NH1 3.11Å; D894-R916 IonicContact OD1-NH2 3.99Å; D894-R916 PolarHBondContact OD1-NH2 3.16Å; D894-R916 IonicContact OD2-CZ 3.52Å; D894-R916 IonicContact OD2-NE 2.68Å; D894-R916 PolarHBondContact OD2-NE 2.96Å; D894-R916 IonicContact OD2-NH1 2.61Å; D894-R916 PolarHBondContact OD2-NH1 3.25Å; D894-R916 IonicContact OD2-NH2 3.28Å; D894-R916 PolarHBondContact OD2-NH2 3.06Å; R916-K920 WeakPolarHBondContact O-CB 3.17Å; R916-K920 PolarHBondContact O-N 3.34Å
917E83.7Confident71.9Confident103 Ų10389.8 Ų89.848%0.48151%0.513SS..Hα-helixtrans-66.2-43.4171.7-177.4104.3-109.500111.3L887 T915 K920 N921L887-E917 HydrophobicContact CD2-CB 4.38Å; T915-E917 PolarHBondContact O-N 3.13Å; T915-E917 VanDerWaalsContact O-N 3.14Å; E917-K920 WeakPolarHBondContact O-CE 3.43Å; E917-K920 PolarHBondContact O-N 3.43Å; E917-K920 IonicContact OE1-NZ 3.75Å; E917-K920 PolarHBondContact OE1-NZ 2.97Å; E917-N921 WeakPolarHBondContact O-CB 3.34Å; E917-N921 PolarHBondContact O-N 3.29Å; E917-N921 PolarHBondContact O-ND2 3.44Å; E917-N921 PolarHBondContact O-OD1 3Å
918E87.4Confident74.2Confident103 Ų10386.3 Ų86.348%0.48148%0.476SS..Hα-helixtrans-67.2-44.1176.2-172.7174.8-170.200111.8V914 T915 K920 N921 A922V914-E918 HydrophobicContact CG1-CB 4.14Å; V914-E918 HydrophobicContact CG1-CG 3.94Å; T915-E918 WeakPolarHBondContact O-CA 3.27Å; T915-E918 WeakPolarHBondContact O-CB 3.32Å; T915-E918 PolarHBondContact O-N 3.27Å; T915-E918 WeakPolarHBondContact OG1-CB 3.28Å; T915-E918 PolarHBondContact OG1-N 3.01Å; E918-K920 VanDerWaalsContact C-N 3.33Å; E918-K920 PolarHBondContact O-N 3.36Å; E918-N921 PolarHBondContact O-N 2.96Å; E918-A922 WeakPolarHBondContact O-CB 3.26Å; E918-A922 PolarHBondContact O-N 3.07Å
919L88.8Confident77Confident99 Ų9977.8 Ų77.852%0.51844%0.436SS..Hα-helixtrans-59.3-42171.9-65.8177.4000112V914 T915 A922 L923V914-L919 HydrophobicContact CB-CD2 4.48Å; V914-L919 HydrophobicContact CG1-CD2 3.69Å; V914-L919 HydrophobicContact CG1-CG 3.96Å; T915-L919 PolarHBondContact O-N 2.99Å; L919-A922 PolarHBondContact O-N 3.44Å; L919-L923 VanDerWaalsContact O-CB 3.31Å; L919-L923 WeakPolarHBondContact O-CB 3.38Å; L919-L923 PolarHBondContact O-N 3.03Å
920K90.3Very high79.5Confident31 Ų3173.7 Ų73.714%0.13541%0.413CS..Hα-helixtrans-63.2-43.8174.8175.5-132.264.7-177.10111.4L883 L887 R916 E917 E918 L924L883-K920 HydrophobicContact CB-CG 4.14Å; L887-K920 HydrophobicContact CD2-CB 4.39Å; L887-K920 HydrophobicContact CD2-CD 4Å; R916-K920 WeakPolarHBondContact O-CB 3.17Å; R916-K920 PolarHBondContact O-N 3.34Å; E917-K920 WeakPolarHBondContact O-CE 3.43Å; E917-K920 PolarHBondContact O-N 3.43Å; E917-K920 IonicContact OE1-NZ 3.75Å; E917-K920 PolarHBondContact OE1-NZ 2.97Å; E918-K920 VanDerWaalsContact C-N 3.33Å; E918-K920 PolarHBondContact O-N 3.36Å; K920-L924 HydrophobicContact CG-CD1 4.24Å; K920-L924 WeakPolarHBondContact O-CB 3.33Å; K920-L924 VanDerWaalsContact O-CG 3.27Å; K920-L924 WeakPolarHBondContact O-CG 3.36Å; K920-L924 PolarHBondContact O-N 3.27Å
921N90.9Very high82.4Confident84 Ų8466.1 Ų66.145%0.44937%0.372SS..Hα-helixtrans-64.2-43.6176.1-68.7-18.5000111.6E917 E918 L924 A925E917-N921 WeakPolarHBondContact O-CB 3.34Å; E917-N921 PolarHBondContact O-N 3.29Å; E917-N921 PolarHBondContact O-ND2 3.44Å; E917-N921 PolarHBondContact O-OD1 3Å; E918-N921 PolarHBondContact O-N 2.96Å; N921-L924 PolarHBondContact O-N 2.77Å; N921-A925 WeakPolarHBondContact O-CB 3.31Å; N921-A925 PolarHBondContact O-N 3.2Å
922A91.8Very high85.1Confident60 Ų6060.6 Ų60.650%0.49634%0.338SS..Hα-helixtrans-65.3-42178.300000112.4E918 L919 A925 A926E918-A922 WeakPolarHBondContact O-CB 3.26Å; E918-A922 PolarHBondContact O-N 3.07Å; L919-A922 PolarHBondContact O-N 3.44Å; A922-A925 PolarHBondContact O-N 3.18Å; A922-A926 VanDerWaalsContact O-CB 3.29Å; A922-A926 WeakPolarHBondContact O-CB 3.28Å; A922-A926 PolarHBondContact O-N 3.07Å
923L92.9Very high87.5Confident94 Ų9456.4 Ų56.449%0.49231%0.308SS..Hα-helixtrans-60.5-44.6174176.661.1000111.6L883 L919 A926 Q927L883-L923 HydrophobicContact CD1-CD2 4.02Å; L919-L923 VanDerWaalsContact O-CB 3.31Å; L919-L923 WeakPolarHBondContact O-CB 3.38Å; L919-L923 PolarHBondContact O-N 3.03Å; L923-A926 PolarHBondContact O-N 3.35Å; L923-Q927 VanDerWaalsContact O-CB 3.3Å; L923-Q927 WeakPolarHBondContact O-CB 3.46Å; L923-Q927 PolarHBondContact O-N 2.62Å
924L93.1Very high89.7Confident18 Ų1851.7 Ų51.79%0.09429%0.287CS..Hα-helixtrans-65.3-45.8178.7-74.4171.5000112.3K880 L883 K920 N921 A926 Q927 D928K880-L924 HydrophobicContact CB-CD2 4.36Å; K880-L924 HydrophobicContact CG-CD1 4.01Å; K880-L924 HydrophobicContact CG-CD2 3.51Å; K880-L924 HydrophobicContact CG-CG 4.28Å; L883-L924 HydrophobicContact CD1-CD2 3.82Å; L883-L924 HydrophobicContact CD1-CG 4.16Å; K920-L924 HydrophobicContact CG-CD1 4.24Å; K920-L924 WeakPolarHBondContact O-CB 3.33Å; K920-L924 VanDerWaalsContact O-CG 3.27Å; K920-L924 WeakPolarHBondContact O-CG 3.36Å; K920-L924 PolarHBondContact O-N 3.27Å; N921-L924 PolarHBondContact O-N 2.77Å; L924-A926 VanDerWaalsContact C-N 3.32Å; L924-A926 PolarHBondContact O-N 2.89Å; L924-Q927 PolarHBondContact O-N 2.92Å; L924-D928 PolarHBondContact O-N 2.94Å
925A92.7Very high91.3Very high32 Ų3247.8 Ų47.826%0.26426%0.264SS..Hα-helixtrans-62.2-38.9175.600000112N921 A922 S929 L1013N921-A925 WeakPolarHBondContact O-CB 3.31Å; N921-A925 PolarHBondContact O-N 3.2Å; A922-A925 PolarHBondContact O-N 3.18Å; A925-S929 WeakPolarHBondContact O-CB 3.47Å; A925-S929 PolarHBondContact O-N 3.12Å; A925-L1013 HydrophobicContact CB-CD2 3.97Å; A925-L1013 WeakPolarHBondContact O-CD2 3.42Å
926A93.4Very high92Very high51 Ų5144.4 Ų44.442%0.42124%0.242SC..Hα-helixtrans-67-40.5174.500000112.5A922 L923 L924 S929 A930A922-A926 VanDerWaalsContact O-CB 3.29Å; A922-A926 WeakPolarHBondContact O-CB 3.28Å; A922-A926 PolarHBondContact O-N 3.07Å; L923-A926 PolarHBondContact O-N 3.35Å; L924-A926 VanDerWaalsContact C-N 3.32Å; L924-A926 PolarHBondContact O-N 2.89Å; A926-S929 PolarHBondContact O-N 2.95Å; A926-A930 VanDerWaalsContact O-CB 3.28Å; A926-A930 WeakPolarHBondContact O-CB 3.31Å; A926-A930 PolarHBondContact O-N 3.3Å
927Q94.9Very high92.5Very high22 Ų2244.9 Ų44.910%0.10325%0.249CC..Hα-helixtrans-64.5-48.4176.8-178.9-176.4-91.800111.7L876 S879 L923 L924 S929 A930 A931L876-Q927 HydrophobicContact CD2-CG 3.94Å; S879-Q927 PolarHBondContact OG-NE2 3.24Å; S879-Q927 PolarHBondContact OG-OE1 2.93Å; L923-Q927 VanDerWaalsContact O-CB 3.3Å; L923-Q927 WeakPolarHBondContact O-CB 3.46Å; L923-Q927 PolarHBondContact O-N 2.62Å; L924-Q927 PolarHBondContact O-N 2.92Å; Q927-S929 VanDerWaalsContact C-N 3.35Å; Q927-A930 PolarHBondContact O-N 2.91Å; Q927-A931 PolarHBondContact O-N 2.89Å
928D93.9Very high93Very high4 Ų440.7 Ų40.72%0.02123%0.23CC..Hα-helixtrans-61-45.4175.7-68.9-32.7000110.7K880 L924 A930 A931 V932 M1003 I1010K880-D928 VanDerWaalsContact CE-OD1 3.3Å; K880-D928 WeakPolarHBondContact CE-OD1 3.49Å; K880-D928 WeakPolarHBondContact CE-OD2 3.38Å; K880-D928 IonicContact NZ-OD1 2.67Å; K880-D928 PolarHBondContact NZ-OD1 3.33Å; K880-D928 IonicContact NZ-OD2 2.78Å; K880-D928 PolarHBondContact NZ-OD2 3.31Å; L924-D928 PolarHBondContact O-N 2.94Å; D928-A930 VanDerWaalsContact C-N 3.35Å; D928-A930 PolarHBondContact O-N 3.23Å; D928-A931 WeakPolarHBondContact O-CB 3.3Å; D928-A931 PolarHBondContact O-N 3.25Å; D928-V932 WeakPolarHBondContact O-CG2 3.33Å; D928-V932 PolarHBondContact O-N 2.9Å; D928-M1003 HydrophobicContact CB-CE 4.28Å; D928-I1010 HydrophobicContact CB-CD1 3.8Å; D928-I1010 HydrophobicContact CB-CG1 4.06Å; D928-I1010 HydrophobicContact CB-CG2 4.25Å
929S94.1Very high93.1Very high0 Ų035.8 Ų35.80%021%0.207CC..Hα-helixtrans-63.5-38.4178.2-166.90000112.3A925 A926 Q927 V932 Q933 V1014 Q1017A925-S929 WeakPolarHBondContact O-CB 3.47Å; A925-S929 PolarHBondContact O-N 3.12Å; A926-S929 PolarHBondContact O-N 2.95Å; Q927-S929 VanDerWaalsContact C-N 3.35Å; S929-V932 PolarHBondContact O-N 3Å; S929-Q933 VanDerWaalsContact O-CG 3.29Å; S929-Q933 WeakPolarHBondContact O-CG 3.32Å; S929-Q933 PolarHBondContact O-N 3.15Å; S929-V1014 WeakPolarHBondContact OG-CG2 3.33Å; S929-Q1017 VanDerWaalsContact OG-CD 3.25Å; S929-Q1017 PolarHBondContact OG-NE2 3.34Å; S929-Q1017 PolarHBondContact OG-OE1 3.14Å
930A95.2Very high93Very high35 Ų3533.9 Ų33.929%0.28920%0.197SC..Hα-helixtrans-66.9-39.4174.900000111.9L849 A926 Q927 D928 Q933 I934L849-A930 HydrophobicContact CD1-CB 4.11Å; A926-A930 VanDerWaalsContact O-CB 3.28Å; A926-A930 WeakPolarHBondContact O-CB 3.31Å; A926-A930 PolarHBondContact O-N 3.3Å; Q927-A930 PolarHBondContact O-N 2.91Å; D928-A930 VanDerWaalsContact C-N 3.35Å; D928-A930 PolarHBondContact O-N 3.23Å; A930-Q933 PolarHBondContact O-N 3.29Å; A930-I934 WeakPolarHBondContact O-CD1 3.44Å; A930-I934 VanDerWaalsContact O-CG1 3.3Å; A930-I934 WeakPolarHBondContact O-CG1 3.48Å; A930-I934 PolarHBondContact O-N 3.23Å
931A95.4Very high92.6Very high0 Ų034.9 Ų34.90%021%0.207CC..Hα-helixtrans-59.5-46.8171.700000111.1L849 L872 L876 Q927 D928 Q933 I934 L935L849-A931 HydrophobicContact CD2-CB 3.76Å; L872-A931 HydrophobicContact CD1-CB 4.48Å; L876-A931 HydrophobicContact CD1-CB 4.14Å; L876-A931 HydrophobicContact CD2-CB 4.49Å; Q927-A931 PolarHBondContact O-N 2.89Å; D928-A931 WeakPolarHBondContact O-CB 3.3Å; D928-A931 PolarHBondContact O-N 3.25Å; A931-Q933 PolarHBondContact O-N 3.47Å; A931-I934 PolarHBondContact O-N 3.4Å; A931-L935 WeakPolarHBondContact O-CB 3.42Å; A931-L935 VanDerWaalsContact O-CG 3.27Å; A931-L935 WeakPolarHBondContact O-CG 3.19Å; A931-L935 PolarHBondContact O-N 3.37Å
932V95.4Very high91.9Very high0 Ų034 Ų340%021%0.205CC..Hα-helixtrans-59.5-44.6176.2173.50000112D928 S929 L935 L936 L1000 M1003 F1004 I1010 V1014D928-V932 WeakPolarHBondContact O-CG2 3.33Å; D928-V932 PolarHBondContact O-N 2.9Å; S929-V932 PolarHBondContact O-N 3Å; V932-L935 PolarHBondContact O-N 3.22Å; V932-L936 HydrophobicContact CG1-CD1 3.9Å; V932-L936 HydrophobicContact CG1-CG 4.3Å; V932-L936 WeakPolarHBondContact O-CB 3.39Å; V932-L936 WeakPolarHBondContact O-CG 3.48Å; V932-L936 PolarHBondContact O-N 3.37Å; V932-L1000 HydrophobicContact CB-CD2 3.99Å; V932-L1000 HydrophobicContact CG1-CD1 4.48Å; V932-L1000 HydrophobicContact CG1-CD2 3.63Å; V932-L1000 HydrophobicContact CG2-CD2 3.63Å; V932-M1003 HydrophobicContact CG2-CE 3.72Å; V932-M1003 HydrophobicContact CG2-SD 4.09Å; V932-F1004 HydrophobicContact CG1-CZ 4.49Å; V932-F1004 HydrophobicContact CG2-CE1 4.48Å; V932-I1010 HydrophobicContact CG2-CG2 3.99Å; V932-V1014 HydrophobicContact CB-CG2 3.83Å; V932-V1014 HydrophobicContact CG1-CB 4.35Å; V932-V1014 HydrophobicContact CG1-CG1 3.84Å; V932-V1014 HydrophobicContact CG1-CG2 3.66Å; V932-V1014 HydrophobicContact CG2-CG2 4.34Å
933Q94.6Very high90.4Very high31 Ų3135.3 Ų35.315%0.14521%0.21CC..Hα-helixtrans-62.9-44.7178.9-67.6-72.915.200112.1S929 A930 A931 L935 L936 E937 G1018S929-Q933 VanDerWaalsContact O-CG 3.29Å; S929-Q933 WeakPolarHBondContact O-CG 3.32Å; S929-Q933 PolarHBondContact O-N 3.15Å; A930-Q933 PolarHBondContact O-N 3.29Å; A931-Q933 PolarHBondContact O-N 3.47Å; Q933-L935 VanDerWaalsContact C-N 3.32Å; Q933-L935 PolarHBondContact O-N 3.45Å; Q933-L936 WeakPolarHBondContact O-CB 3.5Å; Q933-L936 PolarHBondContact O-N 3.17Å; Q933-L936 VanDerWaalsContact O-N 3.16Å; Q933-E937 WeakPolarHBondContact O-CG 3.48Å; Q933-E937 PolarHBondContact O-N 3.48Å; Q933-G1018 PolarHBondContact NE2-O 3.07Å
934I94.6Very high88.6Confident52 Ų5238.1 Ų38.127%0.26722%0.221SC..Hα-helixtrans-62.7-39.8176.8-63.8161.6000110.9L849 L852 A930 A931 E937 I938L849-I934 HydrophobicContact CD1-CD1 4.48Å; L849-I934 HydrophobicContact CD2-CD1 4.43Å; L852-I934 HydrophobicContact CB-CG2 4.1Å; L852-I934 HydrophobicContact CD1-CB 4.03Å; L852-I934 HydrophobicContact CD1-CD1 4.36Å; L852-I934 HydrophobicContact CD1-CG2 3.8Å; L852-I934 HydrophobicContact CG-CG2 4.43Å; A930-I934 WeakPolarHBondContact O-CD1 3.44Å; A930-I934 VanDerWaalsContact O-CG1 3.3Å; A930-I934 WeakPolarHBondContact O-CG1 3.48Å; A930-I934 PolarHBondContact O-N 3.23Å; A931-I934 PolarHBondContact O-N 3.4Å; I934-E937 PolarHBondContact O-N 3.49Å; I934-I938 HydrophobicContact CG2-CD1 4.01Å; I934-I938 WeakPolarHBondContact O-CD1 3.25Å; I934-I938 VanDerWaalsContact O-CG1 3.28Å; I934-I938 WeakPolarHBondContact O-CG1 3.14Å; I934-I938 PolarHBondContact O-N 3.47Å
935L95.1Very high87.2Confident0 Ų040 Ų400%023%0.229CC..Hα-helixtrans-65-37.9174.9-69.5178.3000112.5L852 M865 L869 L872 A931 V932 Q933 I938 C939 I996 L999 L1000L852-L935 HydrophobicContact CD2-CD2 3.95Å; M865-L935 HydrophobicContact CE-CD2 4.05Å; L869-L935 HydrophobicContact CD2-CD1 4.11Å; L869-L935 HydrophobicContact CD2-CD2 3.55Å; L869-L935 HydrophobicContact CD2-CG 4.49Å; L872-L935 HydrophobicContact CD2-CD1 3.91Å; L872-L935 HydrophobicContact CD2-CD2 4.24Å; L872-L935 HydrophobicContact CD2-CG 4.28Å; A931-L935 WeakPolarHBondContact O-CB 3.42Å; A931-L935 VanDerWaalsContact O-CG 3.27Å; A931-L935 WeakPolarHBondContact O-CG 3.19Å; A931-L935 PolarHBondContact O-N 3.37Å; V932-L935 PolarHBondContact O-N 3.22Å; Q933-L935 VanDerWaalsContact C-N 3.32Å; Q933-L935 PolarHBondContact O-N 3.45Å; L935-I938 HydrophobicContact CD2-CD1 4.38Å; L935-I938 PolarHBondContact O-N 2.64Å; L935-C939 PolarHBondContact O-N 2.89Å; L935-I996 HydrophobicContact CB-CG2 3.92Å; L935-I996 HydrophobicContact CD2-CG1 4.44Å; L935-L999 HydrophobicContact CD1-CD2 3.9Å; L935-L1000 HydrophobicContact CD1-CD2 4.24Å
936L92.9Very high85.5Confident5 Ų543.8 Ų43.83%0.02624%0.241CC..Hα-helixtrans-65.8-40.1173.4-73.7172.6000111.7V932 Q933 I938 C939 L1000 V1014 Y1019 L1023 T1027V932-L936 HydrophobicContact CG1-CD1 3.9Å; V932-L936 HydrophobicContact CG1-CG 4.3Å; V932-L936 WeakPolarHBondContact O-CB 3.39Å; V932-L936 WeakPolarHBondContact O-CG 3.48Å; V932-L936 PolarHBondContact O-N 3.37Å; Q933-L936 WeakPolarHBondContact O-CB 3.5Å; Q933-L936 PolarHBondContact O-N 3.17Å; Q933-L936 VanDerWaalsContact O-N 3.16Å; L936-I938 VanDerWaalsContact C-N 3.35Å; L936-I938 PolarHBondContact O-N 3.2Å; L936-C939 WeakPolarHBondContact O-CB 3.48Å; L936-C939 PolarHBondContact O-N 3.43Å; L936-L1000 HydrophobicContact CD2-CD1 3.84Å; L936-L1000 HydrophobicContact CG-CD1 4.21Å; L936-V1014 HydrophobicContact CD1-CG1 4.14Å; L936-Y1019 HydrophobicContact CD1-CD1 3.73Å; L936-Y1019 HydrophobicContact CD1-CE1 4.2Å; L936-Y1019 HydrophobicContact CD1-CG 3.91Å; L936-L1023 HydrophobicContact CB-CD1 3.87Å; L936-L1023 HydrophobicContact CD2-CD1 4.42Å; L936-L1023 WeakPolarHBondContact O-CD1 3.22Å; L936-T1027 HydrophobicContact CD2-CG2 3.58Å
937E92.1Very high83.4Confident118 Ų11847.3 Ų47.355%0.55125%0.252SS*.Hα-helixtrans-63.8-37.2174-72.3178.3-177.400112.5Q933 I934 C939 L940Q933-E937 WeakPolarHBondContact O-CG 3.48Å; Q933-E937 PolarHBondContact O-N 3.48Å; I934-E937 PolarHBondContact O-N 3.49Å; E937-C939 PolarHBondContact O-N 2.75Å; E937-L940 VanDerWaalsContact O-CB 3.3Å; E937-L940 WeakPolarHBondContact O-CB 3.35Å; E937-L940 WeakPolarHBondContact O-CG 3.48Å; E937-L940 PolarHBondContact O-N 2.76Å; E937-L940 VanDerWaalsContact O-N 3.1Å
938I92.5Very high81.2Confident15 Ų1552.1 Ų52.18%0.07728%0.278CS..Hα-helixtrans-62.5-28.3176.1-72.5163.2000112.6L852 Y859 R860 M865 I934 L935 L936 L940 V992 I996L852-I938 HydrophobicContact CD2-CD1 4.25Å; Y859-I938 HydrophobicContact CD1-CD1 3.97Å; Y859-I938 HydrophobicContact CD1-CG1 4.26Å; Y859-I938 HydrophobicContact CD1-CG2 4.07Å; Y859-I938 HydrophobicContact CD2-CD1 4.44Å; Y859-I938 HydrophobicContact CD2-CG1 4.05Å; Y859-I938 HydrophobicContact CE1-CD1 3.6Å; Y859-I938 HydrophobicContact CE1-CG1 4.24Å; Y859-I938 HydrophobicContact CE2-CD1 4.09Å; Y859-I938 HydrophobicContact CE2-CG1 4Å; Y859-I938 HydrophobicContact CG-CD1 4.39Å; Y859-I938 HydrophobicContact CG-CG1 4.18Å; Y859-I938 HydrophobicContact CG-CG2 3.94Å; R860-I938 PolarHBondContact NH1-O 3.36Å; M865-I938 HydrophobicContact CE-CD1 4.22Å; M865-I938 HydrophobicContact CE-CG2 4.01Å; I934-I938 HydrophobicContact CG2-CD1 4.01Å; I934-I938 WeakPolarHBondContact O-CD1 3.25Å; I934-I938 VanDerWaalsContact O-CG1 3.28Å; I934-I938 WeakPolarHBondContact O-CG1 3.14Å; I934-I938 PolarHBondContact O-N 3.47Å; L935-I938 HydrophobicContact CD2-CD1 4.38Å; L935-I938 PolarHBondContact O-N 2.64Å; L936-I938 VanDerWaalsContact C-N 3.35Å; L936-I938 PolarHBondContact O-N 3.2Å; I938-L940 PolarHBondContact O-N 3Å; I938-V992 HydrophobicContact CG2-CG1 4.22Å; I938-I996 HydrophobicContact CB-CD1 4.3Å; I938-I996 HydrophobicContact CG2-CD1 3.81Å
939C89.3Confident79Confident1 Ų153.9 Ų53.91%0.00730%0.297CS..THydrogen-bonded Turntrans-69.5-11.6175.2-71.80000114.4L935 L936 E937 Q993 I996 L1023 L1026L935-C939 PolarHBondContact O-N 2.89Å; L936-C939 WeakPolarHBondContact O-CB 3.48Å; L936-C939 PolarHBondContact O-N 3.43Å; E937-C939 PolarHBondContact O-N 2.75Å; C939-Q993 HydrophobicContact CB-CG 4.01Å; C939-Q993 PolarHBondContact O-NE2 3.37Å; C939-I996 WeakPolarHBondContact SG-CD1 3.48Å; C939-L1023 HydrophobicContact CB-CD2 3.81Å; C939-L1026 HydrophobicContact CB-CD2 3.79Å
940L87.6Confident76.3Confident58 Ų5856.7 Ų56.730%0.30432%0.321SS..SBendtrans-72.3141.4180-64170000111.6R860 E937 I938 L1023R860-L940 PolarHBondContact NH2-O 2.94Å; E937-L940 VanDerWaalsContact O-CB 3.3Å; E937-L940 WeakPolarHBondContact O-CB 3.35Å; E937-L940 WeakPolarHBondContact O-CG 3.48Å; E937-L940 PolarHBondContact O-N 2.76Å; E937-L940 VanDerWaalsContact O-N 3.1Å; I938-L940 PolarHBondContact O-N 3Å; L940-L1023 HydrophobicContact CD2-CD1 4.19Å; L940-L1023 HydrophobicContact CD2-CD2 3.81Å; L940-L1023 HydrophobicContact CD2-CG 3.94Å; L940-L1023 HydrophobicContact CG-CD2 4.37Å
941P81.9Confident73.3Confident53 Ų5357.6 Ų57.634%0.34433%0.328SS..PPolyproline II helixtrans-72.6138.2172.130.4-33.4000110.6E945 Q946 L989P941-E945 HydrophobicContact CB-CB 4.2Å; P941-Q946 HydrophobicContact CB-CG 4.15Å; P941-Q946 HydrophobicContact CG-CG 4.02Å; P941-Q946 PolarHBondContact O-NE2 2.83Å; P941-L989 HydrophobicContact CB-CD2 4.03Å
942T75.5Confident70.5Confident66 Ų6661.8 Ų61.841%0.40535%0.354SS..PPolyproline II helixtrans-67.9162.1173.860.20000111.6E944 E945 Q946T942-E944 PolarHBondContact O-N 2.97Å; T942-E945 WeakPolarHBondContact CB-OE2 3.37Å; T942-E945 WeakPolarHBondContact CG2-OE2 3.48Å; T942-E945 PolarHBondContact N-OE2 2.89Å; T942-E945 PolarHBondContact O-N 3.37Å; T942-E945 VanDerWaalsContact O-N 3.12Å; T942-E945 VanDerWaalsContact OG1-CD 3.26Å; T942-E945 VanDerWaalsContact OG1-CG 3.3Å; T942-E945 WeakPolarHBondContact OG1-CG 3.38Å; T942-E945 PolarHBondContact OG1-N 2.86Å; T942-E945 PolarHBondContact OG1-OE2 2.94Å; T942-Q946 VanDerWaalsContact O-CG 3.31Å; T942-Q946 WeakPolarHBondContact O-CG 3.36Å; T942-Q946 PolarHBondContact O-N 3.27Å
943S60.5Low67.6Low87 Ų8769.3 Ų69.361%0.60839%0.389SS*.Hα-helixtrans-59.4-28.9178.3-51.10000113.5L947S943-L947 WeakPolarHBondContact O-CD1 3.22Å; S943-L947 VanDerWaalsContact O-CG 3.28Å; S943-L947 WeakPolarHBondContact O-CG 3.28Å; S943-L947 PolarHBondContact O-N 3.49Å; S943-L947 VanDerWaalsContact O-N 3.14Å
944E56.1Low64.6Low152 Ų15270.4 Ų70.471%0.7141%0.409SS*.Hα-helixtrans-73.8-42175-62.3-174.317100111.8T942 Q946 L947 L948T942-E944 PolarHBondContact O-N 2.97Å; E944-Q946 VanDerWaalsContact C-N 3.33Å; E944-Q946 PolarHBondContact O-N 2.79Å; E944-L947 PolarHBondContact O-N 3.45Å; E944-L948 WeakPolarHBondContact O-CG 3.27Å; E944-L948 PolarHBondContact O-N 3.27Å
945E63.3Low61.9Low58 Ų5874 Ų7427%0.27143%0.428SS..Hα-helixtrans-63.6-38.3174.4-69.6163.5138.200111.6R860 P941 T942 L948 G949R860-E945 WeakPolarHBondContact CD-OE1 3.26Å; R860-E945 IonicContact CZ-OE1 3.88Å; R860-E945 IonicContact CZ-OE2 3.69Å; R860-E945 IonicContact NE-OE1 2.66Å; R860-E945 PolarHBondContact NE-OE1 2.82Å; R860-E945 IonicContact NE-OE2 2.84Å; R860-E945 PolarHBondContact NE-OE2 3.46Å; R860-E945 IonicContact NH2-OE1 2.89Å; R860-E945 IonicContact NH2-OE2 3.7Å; R860-E945 PolarHBondContact NH2-OE2 2.68Å; P941-E945 HydrophobicContact CB-CB 4.2Å; T942-E945 WeakPolarHBondContact CB-OE2 3.37Å; T942-E945 WeakPolarHBondContact CG2-OE2 3.48Å; T942-E945 PolarHBondContact N-OE2 2.89Å; T942-E945 PolarHBondContact O-N 3.37Å; T942-E945 VanDerWaalsContact O-N 3.12Å; T942-E945 VanDerWaalsContact OG1-CD 3.26Å; T942-E945 VanDerWaalsContact OG1-CG 3.3Å; T942-E945 WeakPolarHBondContact OG1-CG 3.38Å; T942-E945 PolarHBondContact OG1-N 2.86Å; T942-E945 PolarHBondContact OG1-OE2 2.94Å; E945-L948 PolarHBondContact O-N 3.1Å; E945-G949 PolarHBondContact O-N 2.84Å; E945-G949 VanDerWaalsContact O-N 3.11Å
946Q58.1Low59.1Low111 Ų11181.6 Ų81.652%0.51947%0.467SS..Hα-helixtrans-63.9-43.5174.7-68.3171.418.500112.2P941 T942 E944 G949 A950P941-Q946 HydrophobicContact CB-CG 4.15Å; P941-Q946 HydrophobicContact CG-CG 4.02Å; P941-Q946 PolarHBondContact O-NE2 2.83Å; T942-Q946 VanDerWaalsContact O-CG 3.31Å; T942-Q946 WeakPolarHBondContact O-CG 3.36Å; T942-Q946 PolarHBondContact O-N 3.27Å; E944-Q946 VanDerWaalsContact C-N 3.33Å; E944-Q946 PolarHBondContact O-N 2.79Å; Q946-G949 PolarHBondContact O-N 2.9Å; Q946-A950 PolarHBondContact O-N 3.48Å; Q946-A950 VanDerWaalsContact O-N 3.15Å
947L48Very low56.2Low125 Ų12592.8 Ų92.865%0.65451%0.509SS*.Hα-helixtrans-64.8-37.7176.7-76.9166.2000112.4S943 E944 A951S943-L947 WeakPolarHBondContact O-CD1 3.22Å; S943-L947 VanDerWaalsContact O-CG 3.28Å; S943-L947 WeakPolarHBondContact O-CG 3.28Å; S943-L947 PolarHBondContact O-N 3.49Å; S943-L947 VanDerWaalsContact O-N 3.14Å; E944-L947 PolarHBondContact O-N 3.45Å; L947-A951 WeakPolarHBondContact O-CB 3.43Å; L947-A951 PolarHBondContact O-N 2.69Å
948L50Low53.3Low124 Ų12491.6 Ų91.665%0.64951%0.51SS*.Hα-helixtrans-65.2-42.3176-78.3162.4000112.1E944 E945 A951 T952E944-L948 WeakPolarHBondContact O-CG 3.27Å; E944-L948 PolarHBondContact O-N 3.27Å; E945-L948 PolarHBondContact O-N 3.1Å; L948-A951 PolarHBondContact O-N 2.97Å; L948-T952 PolarHBondContact O-N 3.39Å; L948-T952 PolarHBondContact O-OG1 3.47Å
949G46.3Very low50.4Low40 Ų4098.7 Ų98.741%0.41255%0.548SS..Hα-helixtrans-61.1-45.6175.100000113E945 Q946 A951 T952E945-G949 PolarHBondContact O-N 2.84Å; E945-G949 VanDerWaalsContact O-N 3.11Å; Q946-G949 PolarHBondContact O-N 2.9Å; G949-A951 VanDerWaalsContact C-N 3.34Å; G949-A951 PolarHBondContact O-N 3.14Å; G949-T952 PolarHBondContact O-N 3.2Å; G949-T952 PolarHBondContact O-OG1 3.4Å
950A37.7Very low47.5Very low60 Ų60110.1 Ų110.150%0.49659%0.591SS.*Hα-helixtrans-65.5-34.7176.700000112.9Q946 T952 E953 G954Q946-A950 PolarHBondContact O-N 3.48Å; Q946-A950 VanDerWaalsContact O-N 3.15Å; A950-T952 VanDerWaalsContact C-N 3.28Å; A950-T952 PolarHBondContact O-N 2.8Å; A950-E953 PolarHBondContact O-N 3.1Å; A950-G954 PolarHBondContact O-N 3.27Å
951A33.3Very low44.5Very low53 Ų53110.6 Ų110.644%0.43861%0.61SS.*Hα-helixtrans-63.4-32.617800000112.9L947 L948 G949 G954 L955L947-A951 WeakPolarHBondContact O-CB 3.43Å; L947-A951 PolarHBondContact O-N 2.69Å; L948-A951 PolarHBondContact O-N 2.97Å; G949-A951 VanDerWaalsContact C-N 3.34Å; G949-A951 PolarHBondContact O-N 3.14Å; A951-G954 PolarHBondContact O-N 3.21Å; A951-L955 PolarHBondContact O-N 3.45Å
952T36.1Very low42.2Very low89 Ų89113.7 Ų113.755%0.54663%0.63SS.*Hα-helixtrans-66.8-33.417618.50000113.8L948 G949 A950L948-T952 PolarHBondContact O-N 3.39Å; L948-T952 PolarHBondContact O-OG1 3.47Å; G949-T952 PolarHBondContact O-N 3.2Å; G949-T952 PolarHBondContact O-OG1 3.4Å; A950-T952 VanDerWaalsContact C-N 3.28Å; A950-T952 PolarHBondContact O-N 2.8Å
953E34.9Very low39.9Very low158 Ų158120 Ų12074%0.73865%0.652SS**Hα-helixtrans-70.8-40.1176.5-62.7-167.5129.200111.9A950 L955A950-E953 PolarHBondContact O-N 3.1Å; E953-L955 VanDerWaalsContact C-N 3.3Å; E953-L955 PolarHBondContact O-N 2.85Å
954G31.6Very low38.3Very low54 Ų54125.2 Ų125.256%0.55767%0.667SS**Hα-helixtrans-64.3-29.2-179.400000114.6A950 A951 L956A950-G954 PolarHBondContact O-N 3.27Å; A951-G954 PolarHBondContact O-N 3.21Å; G954-L956 PolarHBondContact O-N 3.49Å
955L37.5Very low36.8Very low127 Ų127121.2 Ų121.267%0.66567%0.666SS**G310 helixtrans-76.2-15-174.6-90.1161.6000114.9A951 E953 R957A951-L955 PolarHBondContact O-N 3.45Å; E953-L955 VanDerWaalsContact C-N 3.3Å; E953-L955 PolarHBondContact O-N 2.85Å; L955-R957 VanDerWaalsContact C-N 3.32Å; L955-R957 PolarHBondContact O-N 3.26Å
956L36.4Very low35.1Very low159 Ų159123.9 Ų123.983%0.83269%0.691SS**G310 helixtrans-80.2-4.8-176.9-73.3172.3000114.7G954G954-L956 PolarHBondContact O-N 3.49Å
957R31.1Very low33.4Very low240 Ų240126.4 Ų126.491%0.90671%0.707SS**G310 helixtrans-98.9-4.9-178.6-102.6-176.1175.4-172.30.2116.2L955L955-R957 VanDerWaalsContact C-N 3.32Å; L955-R957 PolarHBondContact O-N 3.26Å
958T32.5Very low33.5Very low94 Ų94125.6 Ų125.658%0.57771%0.71SS**  trans-13696-17838.70000113
959N30.8Very low33Very low163 Ų163124.6 Ų124.687%0.87271%0.711SS**  180129.9115.6-90.1-41.7000113
960R27.8Very low32Very low242 Ų242131 Ų13191%0.91373%0.732SS**  trans-76.8129.6155.7-75.3178.1170.5176.3-3.1107.8
961G26.1Very low31.4Very low68 Ų68134 Ų13470%0.70174%0.744SS**  trans-66.8175.4171.100000113
962P32.7Very low31Very low117 Ų117136.1 Ų136.176%0.7676%0.756SS**  -145.9124.196.635.2-18.8000118
963K28.2Very low30.5Very low198 Ų198143.7 Ų143.786%0.86177%0.774SS**  72.2155.4128.1-60.7-177176.1-177.80122.4
964Q26.6Very low30Very low198 Ų198139.6 Ų139.693%0.92577%0.774SS**  trans79.5121.2166.9-56.8-177.9-12.800116.8
965G24.4Very low29.7Very low68 Ų68146.5 Ų146.570%0.70178%0.784SS**  cis-180156.8-9.900000116.5
966S26.2Very low29.2Very low113 Ų113147.1 Ų147.179%0.7979%0.793SS**  trans51.2113.6157.450.90000120.2
967L24.1Very low28.7Very low164 Ų164143.2 Ų143.286%0.85977%0.773SS**  cis69153.130.3-63.5171.5000117.4
968P48.4Very low28.3Very low109 Ų109139.9 Ų139.971%0.70877%0.773SS**  cis-116.8-104-20.830.5-9.1000112
969P40.6Very low28.1Very low103 Ų103140.6 Ų140.667%0.66978%0.777SS**  cis-134.987.1-4.738.5-14.7000116.8
970M25.8Very low27.9Very low174 Ų174140.8 Ų140.886%0.85777%0.773SS**  trans69.2167.7152.6-44.8-172.273.700118
971T24.9Very low28.2Very low123 Ų123134.9 Ų134.976%0.75577%0.766SS**  cis-143.6174.612.249.50000109.6
972S25.2Very low28.5Very low97 Ų97138.7 Ų138.768%0.67877%0.765SS**  cis175161.3-30.672.70000105
973R25.1Very low28.8Very low248 Ų248136.9 Ų136.994%0.93677%0.768SS**  cis-156.4177.910.1-131.3174.8-178.9168.5-1.2105.3
974G24.3Very low29.9Very low72 Ų72130 Ų13074%0.74275%0.754SS**  cis-158.1-167.21.800000110.1
975R24.7Very low31.5Very low199 Ų199125.1 Ų125.175%0.75173%0.733SS**  trans-146.5143.5-159174.2-167.8-175.9-160.95.3112.5D977R975-D977 WeakPolarHBondContact CG-OD1 3.29Å; R975-D977 IonicContact CZ-OD1 3.59Å; R975-D977 IonicContact CZ-OD2 2.65Å; R975-D977 IonicContact NE-OD1 2.71Å; R975-D977 PolarHBondContact NE-OD1 2.85Å; R975-D977 IonicContact NE-OD2 3.5Å; R975-D977 PolarHBondContact NE-OD2 2.9Å; R975-D977 IonicContact NH2-OD1 2.71Å; R975-D977 IonicContact NH2-OD2 3.61Å; R975-D977 PolarHBondContact NH2-OD2 3.5Å
976V27.1Very low33.9Very low141 Ų141130.2 Ų130.286%0.85574%0.744SS**  trans-140.4133.3146.4-175.50000105.9
977D25.6Very low36.7Very low77 Ų77127 Ų12741%0.41272%0.721SS.*  trans-110.9153.9169.6-20.1-69.4000109R975 T979R975-D977 WeakPolarHBondContact CG-OD1 3.29Å; R975-D977 IonicContact CZ-OD1 3.59Å; R975-D977 IonicContact CZ-OD2 2.65Å; R975-D977 IonicContact NE-OD1 2.71Å; R975-D977 PolarHBondContact NE-OD1 2.85Å; R975-D977 IonicContact NE-OD2 3.5Å; R975-D977 PolarHBondContact NE-OD2 2.9Å; R975-D977 IonicContact NH2-OD1 2.71Å; R975-D977 IonicContact NH2-OD2 3.61Å; R975-D977 PolarHBondContact NH2-OD2 3.5Å; D977-T979 HydrophobicContact CB-CG2 4.07Å
978D24Very low39.7Very low169 Ų169122.5 Ų122.590%0.90470%0.698SS**  trans-146.7116.2144.7-92.2-45.7000106.4
979T28.2Very low41.5Very low109 Ų109118.1 Ų118.167%0.66967%0.668SS**  trans-119.2109.5-161.654.50000113.7D977D977-T979 HydrophobicContact CB-CG2 4.07Å
980E26.1Very low43.8Very low168 Ų168117 Ų11779%0.78565%0.651SS**SBendtrans-82.8167.1152.7-80.5-77.3132.700109.4E982E980-E982 PolarHBondContact O-N 3.47Å
981P33.7Very low46.9Very low118 Ų118113.2 Ų113.277%0.76663%0.631SS**  trans-7798.1-156.828.1-35.4000115.7G983P981-G983 PolarHBondContact O-N 2.93Å
982E32.8Very low50.2Low147 Ų147107.3 Ų107.369%0.68760%0.595SS**  trans-71.420.8-178.5-59.6-164.6114.900116.6E980 G984E980-E982 PolarHBondContact O-N 3.47Å; E982-G984 VanDerWaalsContact C-N 3.29Å; E982-G984 PolarHBondContact O-N 2.9Å; E982-G984 VanDerWaalsContact O-N 3.16Å
983G38.4Very low53.4Low79 Ų79104.1 Ų104.181%0.81457%0.569SS**THydrogen-bonded Turntrans-64.6-21.3-171.600000116.4P981P981-G983 PolarHBondContact O-N 2.93Å
984G50.9Low56.7Low55 Ų5595 Ų9557%0.56754%0.543SS*.THydrogen-bonded Turntrans-110.6-4.3-174.100000116.5E982 L986 S987E982-G984 VanDerWaalsContact C-N 3.29Å; E982-G984 PolarHBondContact O-N 2.9Å; E982-G984 VanDerWaalsContact O-N 3.16Å; G984-L986 PolarHBondContact O-N 3.37Å; G984-S987 PolarHBondContact O-OG 3.01Å
985L62Low60Low94 Ų9493.8 Ų93.849%0.49252%0.519SS..SBendtrans-77.7-25.6-159.8-154.573.1000114.7R990L985-R990 WeakPolarHBondContact O-CG 3.46Å
986L74.4Confident63.4Low176 Ų17684.3 Ų84.392%0.92148%0.483SS*.SBendtrans-111.370.9-173.9-64.2175.2000111.2G984G984-L986 PolarHBondContact O-N 3.37Å
987S84.9Confident66.6Low46 Ų4677.8 Ų77.832%0.32244%0.444SS..SBendtrans-143.1154.5-177.1630000112.9G984 L989 R990 E991G984-S987 PolarHBondContact O-OG 3.01Å; S987-L989 PolarHBondContact O-N 3.42Å; S987-R990 WeakPolarHBondContact O-CB 3.32Å; S987-R990 PolarHBondContact O-N 2.86Å; S987-R990 PolarHBondContact OG-N 3.49Å; S987-R990 VanDerWaalsContact OG-N 3.12Å; S987-E991 PolarHBondContact O-N 3.18Å
988D85.8Confident69.9Low68 Ų6877.9 Ų77.936%0.36445%0.45SS..Hα-helixtrans-59.7-31.5170.7-81.6-60.3000112.3R798 P862 R990 E991 V992R798-D988 IonicContact CZ-OD1 2.6Å; R798-D988 IonicContact NH1-OD1 2.85Å; R798-D988 PolarHBondContact NH1-OD1 2.89Å; P862-D988 WeakPolarHBondContact CD-OD1 3.31Å; P862-D988 HydrophobicContact CG-CB 4.17Å; P862-D988 VanDerWaalsContact CG-OD1 3.28Å; P862-D988 WeakPolarHBondContact CG-OD1 3.27Å; D988-R990 VanDerWaalsContact C-N 3.34Å; D988-E991 PolarHBondContact O-N 3.18Å; D988-V992 WeakPolarHBondContact O-CG2 3.4Å; D988-V992 PolarHBondContact O-N 3.29Å
989L87.9Confident73.3Confident17 Ų1770.6 Ų70.69%0.08941%0.411CS..Hα-helixtrans-58.9-43.9169.717156.8000111.3P941 S987 E991 V992 Q993P941-L989 HydrophobicContact CB-CD2 4.03Å; S987-L989 PolarHBondContact O-N 3.42Å; L989-E991 PolarHBondContact O-N 3.06Å; L989-V992 PolarHBondContact O-N 3.36Å; L989-Q993 HydrophobicContact CD1-CG 3.96Å; L989-Q993 HydrophobicContact CG-CG 4.44Å; L989-Q993 WeakPolarHBondContact O-CB 3.43Å; L989-Q993 VanDerWaalsContact O-CG 3.3Å; L989-Q993 WeakPolarHBondContact O-CG 3.35Å; L989-Q993 PolarHBondContact O-N 2.95Å
990R88.7Confident76.4Confident80 Ų8065.4 Ų65.430%0.30238%0.379SS..Hα-helixtrans-65.1-39.3179.6-176.755.8178.9175.82.7112.3L985 S987 D988 Q993 C994 L1026L985-R990 WeakPolarHBondContact O-CG 3.46Å; S987-R990 WeakPolarHBondContact O-CB 3.32Å; S987-R990 PolarHBondContact O-N 2.86Å; S987-R990 PolarHBondContact OG-N 3.49Å; S987-R990 VanDerWaalsContact OG-N 3.12Å; D988-R990 VanDerWaalsContact C-N 3.34Å; R990-Q993 PolarHBondContact O-N 3.35Å; R990-C994 PolarHBondContact O-N 2.83Å; R990-C994 PolarHBondContact O-SG 2.91Å; R990-L1026 VanDerWaalsContact NH1-CD1 3.25Å
991E91.1Very high79.7Confident94 Ų9459.9 Ų59.944%0.43935%0.353SS..Hα-helixtrans-64-44.6173-74.2-168.5-137.700112.1R798 P862 S987 D988 L989 Q993 C994 L995R798-E991 IonicContact CZ-OE1 3.66Å; R798-E991 IonicContact CZ-OE2 2.97Å; R798-E991 VanDerWaalsContact NH2-CD 3.3Å; R798-E991 IonicContact NH2-OE1 3.76Å; R798-E991 PolarHBondContact NH2-OE1 3.14Å; R798-E991 IonicContact NH2-OE2 2.68Å; R798-E991 PolarHBondContact NH2-OE2 3.42Å; P862-E991 HydrophobicContact CB-CB 3.87Å; P862-E991 HydrophobicContact CG-CB 3.55Å; P862-E991 HydrophobicContact CG-CG 4.41Å; S987-E991 PolarHBondContact O-N 3.18Å; D988-E991 PolarHBondContact O-N 3.18Å; L989-E991 PolarHBondContact O-N 3.06Å; E991-Q993 PolarHBondContact O-N 3.07Å; E991-C994 PolarHBondContact O-N 2.69Å; E991-L995 WeakPolarHBondContact O-CG 3.31Å; E991-L995 PolarHBondContact O-N 3.39Å
992V92.9Very high82.5Confident0 Ų058.2 Ų58.20%034%0.335CS..Hα-helixtrans-59.5-44.5175.1163.80000111.4P862 M865 I938 D988 L989 C994 L995 I996P862-V992 HydrophobicContact CB-CG2 4.37Å; P862-V992 HydrophobicContact CG-CG2 4.07Å; M865-V992 HydrophobicContact CB-CG2 4.08Å; M865-V992 HydrophobicContact CG-CG1 4.11Å; M865-V992 HydrophobicContact CG-CG2 4.14Å; I938-V992 HydrophobicContact CG2-CG1 4.22Å; D988-V992 WeakPolarHBondContact O-CG2 3.4Å; D988-V992 PolarHBondContact O-N 3.29Å; L989-V992 PolarHBondContact O-N 3.36Å; V992-C994 VanDerWaalsContact C-N 3.34Å; V992-C994 PolarHBondContact O-N 3.33Å; V992-L995 PolarHBondContact O-N 2.64Å; V992-I996 HydrophobicContact CG1-CD1 3.6Å; V992-I996 HydrophobicContact CG1-CG1 4.44Å; V992-I996 WeakPolarHBondContact O-CB 3.21Å; V992-I996 WeakPolarHBondContact O-CD1 3.32Å; V992-I996 VanDerWaalsContact O-CG1 3.29Å; V992-I996 WeakPolarHBondContact O-CG1 3.34Å; V992-I996 PolarHBondContact O-N 2.86Å
993Q92.8Very high85.3Confident29 Ų2951.8 Ų51.814%0.13631%0.305CS..Hα-helixtrans-57.6-44.5174.3-76176.7-5.800111.8C939 L989 R990 E991 I996 C997 L1026C939-Q993 HydrophobicContact CB-CG 4.01Å; C939-Q993 PolarHBondContact O-NE2 3.37Å; L989-Q993 HydrophobicContact CD1-CG 3.96Å; L989-Q993 HydrophobicContact CG-CG 4.44Å; L989-Q993 WeakPolarHBondContact O-CB 3.43Å; L989-Q993 VanDerWaalsContact O-CG 3.3Å; L989-Q993 WeakPolarHBondContact O-CG 3.35Å; L989-Q993 PolarHBondContact O-N 2.95Å; R990-Q993 PolarHBondContact O-N 3.35Å; E991-Q993 PolarHBondContact O-N 3.07Å; Q993-I996 PolarHBondContact O-N 2.97Å; Q993-C997 WeakPolarHBondContact O-CB 3.36Å; Q993-C997 PolarHBondContact O-N 3.12Å; Q993-C997 PolarHBondContact O-SG 3.16Å; Q993-C997 VanDerWaalsContact O-SG 3.35Å; Q993-L1026 HydrophobicContact CB-CD1 3.98Å; Q993-L1026 HydrophobicContact CB-CD2 4.08Å; Q993-L1026 HydrophobicContact CG-CD1 4.39Å; Q993-L1026 HydrophobicContact CG-CD2 3.74Å
994C93.6Very high88Confident56 Ų5648.5 Ų48.538%0.37827%0.268SS..Hα-helixtrans-64.2-44.8177.2-74.10000112.4R990 E991 V992 I996 C997 C998R990-C994 PolarHBondContact O-N 2.83Å; R990-C994 PolarHBondContact O-SG 2.91Å; E991-C994 PolarHBondContact O-N 2.69Å; V992-C994 VanDerWaalsContact C-N 3.34Å; V992-C994 PolarHBondContact O-N 3.33Å; C994-I996 VanDerWaalsContact C-N 3.33Å; C994-I996 PolarHBondContact O-N 3.45Å; C994-C997 PolarHBondContact O-N 3.05Å; C994-C998 PolarHBondContact O-N 3.29Å; C994-C998 PolarHBondContact O-SG 2.83Å
995L94.6Very high89.9Confident47 Ų4751 Ų5125%0.24627%0.267CS..Hα-helixtrans-60.4-41.9176-69.1169.8000111.9P862 D866 L869 E991 V992 C998 L999P862-L995 HydrophobicContact CB-CD1 4Å; D866-L995 HydrophobicContact CB-CD1 4.15Å; L869-L995 HydrophobicContact CD1-CB 3.69Å; E991-L995 WeakPolarHBondContact O-CG 3.31Å; E991-L995 PolarHBondContact O-N 3.39Å; V992-L995 PolarHBondContact O-N 2.64Å; L995-C998 WeakPolarHBondContact O-CB 3.47Å; L995-C998 PolarHBondContact O-N 3.34Å; L995-L999 PolarHBondContact O-N 2.95Å
996I95.8Very high91.2Very high0 Ų050.7 Ų50.70%028%0.279CS..Hα-helixtrans-63.5-48.3175-69.6164000110.6M865 L869 L935 I938 C939 V992 Q993 C994 C998 L999 L1000M865-I996 HydrophobicContact CE-CD1 4.06Å; M865-I996 HydrophobicContact CE-CG1 4.18Å; L869-I996 HydrophobicContact CD1-CG1 4.28Å; L869-I996 HydrophobicContact CD2-CG1 4.2Å; L935-I996 HydrophobicContact CB-CG2 3.92Å; L935-I996 HydrophobicContact CD2-CG1 4.44Å; I938-I996 HydrophobicContact CB-CD1 4.3Å; I938-I996 HydrophobicContact CG2-CD1 3.81Å; C939-I996 WeakPolarHBondContact SG-CD1 3.48Å; V992-I996 HydrophobicContact CG1-CD1 3.6Å; V992-I996 HydrophobicContact CG1-CG1 4.44Å; V992-I996 WeakPolarHBondContact O-CB 3.21Å; V992-I996 WeakPolarHBondContact O-CD1 3.32Å; V992-I996 VanDerWaalsContact O-CG1 3.29Å; V992-I996 WeakPolarHBondContact O-CG1 3.34Å; V992-I996 PolarHBondContact O-N 2.86Å; Q993-I996 PolarHBondContact O-N 2.97Å; C994-I996 VanDerWaalsContact C-N 3.33Å; C994-I996 PolarHBondContact O-N 3.45Å; I996-C998 VanDerWaalsContact C-N 3.26Å; I996-C998 PolarHBondContact O-N 2.95Å; I996-L999 PolarHBondContact O-N 3.21Å; I996-L999 VanDerWaalsContact O-N 3.14Å; I996-L1000 HydrophobicContact CG2-CD1 3.86Å; I996-L1000 HydrophobicContact CG2-CG 4.11Å; I996-L1000 WeakPolarHBondContact O-CB 3.21Å; I996-L1000 VanDerWaalsContact O-CG 3.3Å; I996-L1000 WeakPolarHBondContact O-CG 3.2Å; I996-L1000 PolarHBondContact O-N 3.44Å
997C95.1Very high92Very high4 Ų444.7 Ų44.73%0.02725%0.248CC..Hα-helixtrans-58.5-36.3175.8-74.90000112.6Q993 C994 H1001 G1030 I1031Q993-C997 WeakPolarHBondContact O-CB 3.36Å; Q993-C997 PolarHBondContact O-N 3.12Å; Q993-C997 PolarHBondContact O-SG 3.16Å; Q993-C997 VanDerWaalsContact O-SG 3.35Å; C994-C997 PolarHBondContact O-N 3.05Å; C997-H1001 VanDerWaalsContact O-CB 3.29Å; C997-H1001 WeakPolarHBondContact O-CB 3.28Å; C997-H1001 PolarHBondContact O-N 3.38Å; C997-G1030 WeakPolarHBondContact CB-O 3.47Å; C997-I1031 HydrophobicContact CB-CG1 3.93Å
998C94.5Very high92.3Very high79 Ų7945.2 Ų45.253%0.53425%0.25SC..Hα-helixtrans-64-46.8172.6-70.80000112.4C994 L995 I996 H1001 Q1002C994-C998 PolarHBondContact O-N 3.29Å; C994-C998 PolarHBondContact O-SG 2.83Å; L995-C998 WeakPolarHBondContact O-CB 3.47Å; L995-C998 PolarHBondContact O-N 3.34Å; I996-C998 VanDerWaalsContact C-N 3.26Å; I996-C998 PolarHBondContact O-N 2.95Å; C998-H1001 WeakPolarHBondContact O-CB 3.48Å; C998-H1001 PolarHBondContact O-N 3.28Å; C998-Q1002 WeakPolarHBondContact O-CG 3.47Å; C998-Q1002 PolarHBondContact O-N 3.29Å; C998-Q1002 VanDerWaalsContact O-N 3.09Å
999L94.1Very high92.6Very high16 Ų1647.1 Ų47.18%0.08426%0.26CS..Hα-helixtrans-63.8-44.1175.8-179.662.5000111.7L869 L872 N873 L935 L995 I996 H1001 Q1002 M1003L869-L999 HydrophobicContact CB-CD2 4.12Å; L869-L999 HydrophobicContact CD2-CB 4.42Å; L869-L999 HydrophobicContact CD2-CD2 3.58Å; L869-L999 HydrophobicContact CG-CD2 4.44Å; L872-L999 HydrophobicContact CD2-CD2 4.33Å; N873-L999 HydrophobicContact CB-CD1 4Å; L935-L999 HydrophobicContact CD1-CD2 3.9Å; L995-L999 PolarHBondContact O-N 2.95Å; I996-L999 PolarHBondContact O-N 3.21Å; I996-L999 VanDerWaalsContact O-N 3.14Å; L999-H1001 VanDerWaalsContact C-N 3.28Å; L999-H1001 PolarHBondContact O-N 3.5Å; L999-Q1002 PolarHBondContact O-N 2.96Å; L999-Q1002 VanDerWaalsContact O-N 3.15Å; L999-M1003 HydrophobicContact CD1-CG 4.31Å; L999-M1003 HydrophobicContact CD2-SD 4.48Å; L999-M1003 HydrophobicContact CG-CG 4.32Å; L999-M1003 HydrophobicContact CG-SD 4.16Å; L999-M1003 WeakPolarHBondContact O-CG 3.25Å; L999-M1003 PolarHBondContact O-N 3.42Å
1000L94.8Very high92.8Very high0 Ų046.6 Ų46.60%026%0.257CS..Hα-helixtrans-61.9-36.7177.6-65.8-177000111.8V932 L935 L936 I996 M1003 F1004 I1031V932-L1000 HydrophobicContact CB-CD2 3.99Å; V932-L1000 HydrophobicContact CG1-CD1 4.48Å; V932-L1000 HydrophobicContact CG1-CD2 3.63Å; V932-L1000 HydrophobicContact CG2-CD2 3.63Å; L935-L1000 HydrophobicContact CD1-CD2 4.24Å; L936-L1000 HydrophobicContact CD2-CD1 3.84Å; L936-L1000 HydrophobicContact CG-CD1 4.21Å; I996-L1000 HydrophobicContact CG2-CD1 3.86Å; I996-L1000 HydrophobicContact CG2-CG 4.11Å; I996-L1000 WeakPolarHBondContact O-CB 3.21Å; I996-L1000 VanDerWaalsContact O-CG 3.3Å; I996-L1000 WeakPolarHBondContact O-CG 3.2Å; I996-L1000 PolarHBondContact O-N 3.44Å; L1000-M1003 HydrophobicContact CD2-SD 4.38Å; L1000-M1003 PolarHBondContact O-N 2.93Å; L1000-F1004 WeakPolarHBondContact O-CB 3.4Å; L1000-F1004 WeakPolarHBondContact O-CG 3.39Å; L1000-F1004 PolarHBondContact O-N 3.16Å; L1000-I1031 HydrophobicContact CB-CD1 3.78Å; L1000-I1031 HydrophobicContact CB-CG1 4.5Å; L1000-I1031 HydrophobicContact CD1-CD1 3.96Å
1001H94.9Very high92.9Very high52 Ų5242.8 Ų42.824%0.24124%0.243CC..Hα-helixtrans-59.4-50.2171.5179.347.5000111.5C997 C998 L999 M1003 F1004 I1005 I1031 S1033C997-H1001 VanDerWaalsContact O-CB 3.29Å; C997-H1001 WeakPolarHBondContact O-CB 3.28Å; C997-H1001 PolarHBondContact O-N 3.38Å; C998-H1001 WeakPolarHBondContact O-CB 3.48Å; C998-H1001 PolarHBondContact O-N 3.28Å; L999-H1001 VanDerWaalsContact C-N 3.28Å; L999-H1001 PolarHBondContact O-N 3.5Å; H1001-M1003 PolarHBondContact O-N 3.35Å; H1001-F1004 PolarHBondContact O-N 2.91Å; H1001-I1005 VanDerWaalsContact O-CG1 3.31Å; H1001-I1005 WeakPolarHBondContact O-CG1 3.48Å; H1001-I1005 PolarHBondContact O-N 3.49Å; H1001-I1031 HydrophobicContact CB-CG2 4.04Å; H1001-S1033 WeakPolarHBondContact ND1-CB 3.29Å; H1001-S1033 PolarHBondContact ND1-N 3.25Å; H1001-S1033 PolarHBondContact ND1-OG 2.87Å
1002Q91.8Very high93.1Very high83 Ų8341.1 Ų41.139%0.38823%0.234SC..Hα-helixtrans-61.8-42.7177.1-61.9-67.726.200112.1E716 C998 L999 F1004 I1005 A1006E716-Q1002 PolarHBondContact OE1-NE2 3.01Å; C998-Q1002 WeakPolarHBondContact O-CG 3.47Å; C998-Q1002 PolarHBondContact O-N 3.29Å; C998-Q1002 VanDerWaalsContact O-N 3.09Å; L999-Q1002 PolarHBondContact O-N 2.96Å; L999-Q1002 VanDerWaalsContact O-N 3.15Å; Q1002-F1004 PolarHBondContact O-N 3.12Å; Q1002-I1005 PolarHBondContact O-N 3.48Å; Q1002-A1006 WeakPolarHBondContact O-CB 3.34Å; Q1002-A1006 PolarHBondContact O-N 3.04Å
1003M92.6Very high93.1Very high13 Ų1344 Ų446%0.06425%0.249CC..Hα-helixtrans-60.6-42.6177-71.4-178.773.300112.1L876 D928 V932 L999 L1000 H1001 A1006 D1007 I1010L876-M1003 HydrophobicContact CD1-CE 4.1Å; D928-M1003 HydrophobicContact CB-CE 4.28Å; V932-M1003 HydrophobicContact CG2-CE 3.72Å; V932-M1003 HydrophobicContact CG2-SD 4.09Å; L999-M1003 HydrophobicContact CD1-CG 4.31Å; L999-M1003 HydrophobicContact CD2-SD 4.48Å; L999-M1003 HydrophobicContact CG-CG 4.32Å; L999-M1003 HydrophobicContact CG-SD 4.16Å; L999-M1003 WeakPolarHBondContact O-CG 3.25Å; L999-M1003 PolarHBondContact O-N 3.42Å; L1000-M1003 HydrophobicContact CD2-SD 4.38Å; L1000-M1003 PolarHBondContact O-N 2.93Å; H1001-M1003 PolarHBondContact O-N 3.35Å; M1003-A1006 PolarHBondContact O-N 3.16Å; M1003-D1007 PolarHBondContact O-N 3.43Å; M1003-I1010 HydrophobicContact CE-CD1 4.5Å
1004F93.8Very high93.2Very high9 Ų942.6 Ų42.64%0.03924%0.243CC..Hα-helixtrans-73.6-24.3178.6-63.6-11.6000113.5V932 L1000 H1001 Q1002 I1010 A1011 I1031V932-F1004 HydrophobicContact CG1-CZ 4.49Å; V932-F1004 HydrophobicContact CG2-CE1 4.48Å; L1000-F1004 WeakPolarHBondContact O-CB 3.4Å; L1000-F1004 WeakPolarHBondContact O-CG 3.39Å; L1000-F1004 PolarHBondContact O-N 3.16Å; H1001-F1004 PolarHBondContact O-N 2.91Å; Q1002-F1004 PolarHBondContact O-N 3.12Å; F1004-I1010 HydrophobicContact CE1-CG2 4.33Å; F1004-A1011 HydrophobicContact CB-CB 4.1Å; F1004-A1011 HydrophobicContact CD1-CB 3.61Å; F1004-A1011 HydrophobicContact CD2-CB 3.94Å; F1004-A1011 HydrophobicContact CE1-CB 3.94Å; F1004-A1011 HydrophobicContact CE2-CB 4.26Å; F1004-A1011 HydrophobicContact CG-CB 3.61Å; F1004-A1011 HydrophobicContact CZ-CB 4.26Å; F1004-I1031 HydrophobicContact CD2-CG2 3.93Å; F1004-I1031 HydrophobicContact CE2-CD1 4.23Å; F1004-I1031 HydrophobicContact CE2-CG2 4.24Å
1005I92.1Very high93.1Very high107 Ų10740 Ų4055%0.54923%0.225SC..Hα-helixtrans-76-36169.9-69-67.6000111H1001 Q1002H1001-I1005 VanDerWaalsContact O-CG1 3.31Å; H1001-I1005 WeakPolarHBondContact O-CG1 3.48Å; H1001-I1005 PolarHBondContact O-N 3.49Å; Q1002-I1005 PolarHBondContact O-N 3.48Å
1006A88.6Confident93.1Very high88 Ų8839.2 Ų39.273%0.72722%0.22SC*.Hα-helixtrans-73.9-40.2178.800000113.4Q1002 M1003Q1002-A1006 WeakPolarHBondContact O-CB 3.34Å; Q1002-A1006 PolarHBondContact O-N 3.04Å; M1003-A1006 PolarHBondContact O-N 3.16Å
1007D90.6Very high92.9Very high51 Ų5143.9 Ų43.927%0.27324%0.241SC..  trans-144.7107.7169-1787.7000111.8M1003 N1009 I1010M1003-D1007 PolarHBondContact O-N 3.43Å; D1007-N1009 PolarHBondContact O-N 3.38Å; D1007-N1009 VanDerWaalsContact OD1-CB 3.26Å; D1007-N1009 WeakPolarHBondContact OD1-CB 3.49Å; D1007-N1009 PolarHBondContact OD1-N 2.99Å; D1007-N1009 PolarHBondContact OD1-ND2 2.99Å; D1007-I1010 HydrophobicContact CB-CD1 3.83Å; D1007-I1010 HydrophobicContact CB-CG1 4.03Å; D1007-I1010 PolarHBondContact O-N 3.17Å
1008P91.7Very high92.7Very high56 Ų5644.5 Ų44.536%0.36425%0.248SC..Hα-helixtrans-68.9-14179.229.9-36.1000113.5I1010 A1011 K1012 I1036P1008-I1010 VanDerWaalsContact C-N 3.31Å; P1008-A1011 WeakPolarHBondContact O-CB 3.36Å; P1008-A1011 PolarHBondContact O-N 2.93Å; P1008-K1012 PolarHBondContact O-N 3.1Å; P1008-I1036 HydrophobicContact CB-CD1 3.68Å
1009N91.6Very high92.7Very high109 Ų10941.7 Ų41.758%0.58323%0.227SC*.Hα-helixtrans-70-29.2176-59.6-77.2000111.8D1007 A1011 K1012 L1013D1007-N1009 PolarHBondContact O-N 3.38Å; D1007-N1009 VanDerWaalsContact OD1-CB 3.26Å; D1007-N1009 WeakPolarHBondContact OD1-CB 3.49Å; D1007-N1009 PolarHBondContact OD1-N 2.99Å; D1007-N1009 PolarHBondContact OD1-ND2 2.99Å; N1009-A1011 VanDerWaalsContact C-N 3.33Å; N1009-K1012 PolarHBondContact O-N 2.97Å; N1009-L1013 WeakPolarHBondContact O-CB 3.37Å; N1009-L1013 PolarHBondContact O-N 3.38Å
1010I92.6Very high92.5Very high5 Ų543.9 Ų43.93%0.02624%0.242CC..Hα-helixtrans-62.1-45172.3-55.3167.7000109.4D928 V932 M1003 F1004 D1007 P1008 K1012 L1013 V1014D928-I1010 HydrophobicContact CB-CD1 3.8Å; D928-I1010 HydrophobicContact CB-CG1 4.06Å; D928-I1010 HydrophobicContact CB-CG2 4.25Å; V932-I1010 HydrophobicContact CG2-CG2 3.99Å; M1003-I1010 HydrophobicContact CE-CD1 4.5Å; F1004-I1010 HydrophobicContact CE1-CG2 4.33Å; D1007-I1010 HydrophobicContact CB-CD1 3.83Å; D1007-I1010 HydrophobicContact CB-CG1 4.03Å; D1007-I1010 PolarHBondContact O-N 3.17Å; P1008-I1010 VanDerWaalsContact C-N 3.31Å; I1010-K1012 VanDerWaalsContact C-N 3.32Å; I1010-K1012 PolarHBondContact O-N 3.1Å; I1010-L1013 PolarHBondContact O-N 3.21Å; I1010-V1014 HydrophobicContact CG2-CG2 4.26Å; I1010-V1014 VanDerWaalsContact O-CG2 3.32Å; I1010-V1014 WeakPolarHBondContact O-CG2 3.32Å; I1010-V1014 PolarHBondContact O-N 3.06Å
1011A91.9Very high92Very high0 Ų048.7 Ų48.70%026%0.264CS..Hα-helixtrans-58.7-43.7176.500000111.5F1004 P1008 N1009 H1015F1004-A1011 HydrophobicContact CB-CB 4.1Å; F1004-A1011 HydrophobicContact CD1-CB 3.61Å; F1004-A1011 HydrophobicContact CD2-CB 3.94Å; F1004-A1011 HydrophobicContact CE1-CB 3.94Å; F1004-A1011 HydrophobicContact CE2-CB 4.26Å; F1004-A1011 HydrophobicContact CG-CB 3.61Å; F1004-A1011 HydrophobicContact CZ-CB 4.26Å; P1008-A1011 WeakPolarHBondContact O-CB 3.36Å; P1008-A1011 PolarHBondContact O-N 2.93Å; N1009-A1011 VanDerWaalsContact C-N 3.33Å; A1011-H1015 PolarHBondContact O-N 2.83Å; A1011-H1015 PolarHBondContact O-ND1 3.35Å
1012K93.9Very high91.5Very high59 Ų5949.9 Ų49.926%0.25728%0.283SS..Hα-helixtrans-62.8-49.3174.4-177.4174.1168.6177.20112P1008 N1009 I1010 V1014 H1015 F1016 F1040 E1043P1008-K1012 PolarHBondContact O-N 3.1Å; N1009-K1012 PolarHBondContact O-N 2.97Å; I1010-K1012 VanDerWaalsContact C-N 3.32Å; I1010-K1012 PolarHBondContact O-N 3.1Å; K1012-V1014 PolarHBondContact O-N 2.92Å; K1012-H1015 PolarHBondContact O-N 3.2Å; K1012-F1016 HydrophobicContact CD-CE2 4.33Å; K1012-F1016 HydrophobicContact CG-CD2 3.79Å; K1012-F1016 HydrophobicContact CG-CE2 3.79Å; K1012-F1016 WeakPolarHBondContact O-CB 3.4Å; K1012-F1016 VanDerWaalsContact O-CD2 3.24Å; K1012-F1016 WeakPolarHBondContact O-CD2 3.38Å; K1012-F1016 PolarHBondContact O-N 3.42Å; K1012-F1040 VanDerWaalsContact CA-CZ 3.49Å; K1012-F1040 HydrophobicContact CB-CD1 3.86Å; K1012-F1040 HydrophobicContact CB-CE1 3.72Å; K1012-F1040 HydrophobicContact CB-CG 4.32Å; K1012-F1040 HydrophobicContact CB-CZ 4.08Å; K1012-F1040 HydrophobicContact CD-CB 4.13Å; K1012-F1040 HydrophobicContact CD-CD1 4.28Å; K1012-F1040 HydrophobicContact CD-CG 4.23Å; K1012-F1040 HydrophobicContact CG-CB 4.33Å; K1012-F1040 HydrophobicContact CG-CD1 3.98Å; K1012-F1040 HydrophobicContact CG-CD2 4.22Å; K1012-F1040 HydrophobicContact CG-CE1 4.25Å; K1012-F1040 HydrophobicContact CG-CG 3.94Å; K1012-F1040 HydrophobicContact CG-CZ 4.5Å; K1012-E1043 WeakPolarHBondContact CE-OE1 3.49Å; K1012-E1043 WeakPolarHBondContact CE-OE2 3.4Å; K1012-E1043 IonicContact NZ-OE1 3.5Å; K1012-E1043 PolarHBondContact NZ-OE1 2.93Å; K1012-E1043 IonicContact NZ-OE2 3.07Å; K1012-E1043 PolarHBondContact NZ-OE2 3.49Å
1013L93.6Very high91.4Very high61 Ų6146.1 Ų46.132%0.31927%0.266SS..Hα-helixtrans-61.2-44.4-176.7-178.656.5000112.4A925 N1009 I1010 F1016 Q1017A925-L1013 HydrophobicContact CB-CD2 3.97Å; A925-L1013 WeakPolarHBondContact O-CD2 3.42Å; N1009-L1013 WeakPolarHBondContact O-CB 3.37Å; N1009-L1013 PolarHBondContact O-N 3.38Å; I1010-L1013 PolarHBondContact O-N 3.21Å; L1013-F1016 PolarHBondContact O-N 2.88Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.43Å; L1013-Q1017 PolarHBondContact O-N 3.14Å
1014V93.9Very high91.3Very high0 Ų045.5 Ų45.50%026%0.263CS..Hα-helixtrans-62.2-45177.4170.80000111.2S929 V932 L936 I1010 K1012 F1016 Q1017 G1018 Y1019S929-V1014 WeakPolarHBondContact OG-CG2 3.33Å; V932-V1014 HydrophobicContact CB-CG2 3.83Å; V932-V1014 HydrophobicContact CG1-CB 4.35Å; V932-V1014 HydrophobicContact CG1-CG1 3.84Å; V932-V1014 HydrophobicContact CG1-CG2 3.66Å; V932-V1014 HydrophobicContact CG2-CG2 4.34Å; L936-V1014 HydrophobicContact CD1-CG1 4.14Å; I1010-V1014 HydrophobicContact CG2-CG2 4.26Å; I1010-V1014 VanDerWaalsContact O-CG2 3.32Å; I1010-V1014 WeakPolarHBondContact O-CG2 3.32Å; I1010-V1014 PolarHBondContact O-N 3.06Å; K1012-V1014 PolarHBondContact O-N 2.92Å; V1014-F1016 VanDerWaalsContact C-N 3.28Å; V1014-F1016 PolarHBondContact O-N 2.67Å; V1014-Q1017 WeakPolarHBondContact O-CB 3.31Å; V1014-Q1017 PolarHBondContact O-N 2.83Å; V1014-Q1017 VanDerWaalsContact O-N 3.17Å; V1014-G1018 PolarHBondContact O-N 3.49Å; V1014-Y1019 HydrophobicContact CG1-CD1 3.98Å; V1014-Y1019 HydrophobicContact CG1-CE1 4.2Å
1015H93.4Very high91Very high2 Ų248 Ų481%0.00928%0.28CS..Hα-helixtrans-73.2-18.4177.3-67.894000113.4A1011 K1012 Y1019 F1040 L1044 F1055 L1059A1011-H1015 PolarHBondContact O-N 2.83Å; A1011-H1015 PolarHBondContact O-ND1 3.35Å; K1012-H1015 PolarHBondContact O-N 3.2Å; H1015-Y1019 AromaticContact CD2-CE1 3.54Å; H1015-Y1019 AromaticContact CD2-CZ 3.92Å; H1015-Y1019 AromaticContact NE2-CE1 3.43Å; H1015-Y1019 WeakPolarHBondContact NE2-CE1 3.48Å; H1015-Y1019 AromaticContact NE2-CZ 3.58Å; H1015-Y1019 PolarHBondContact NE2-OH 2.97Å; H1015-F1040 HydrophobicContact CB-CE2 3.82Å; H1015-F1040 HydrophobicContact CB-CZ 4.2Å; H1015-L1044 WeakPolarHBondContact O-CD2 3.26Å; H1015-F1055 HydrophobicContact CB-CE1 4.09Å; H1015-F1055 AromaticContact CD2-CE1 3.84Å; H1015-F1055 AromaticContact CD2-CZ 3.9Å; H1015-F1055 WeakPolarHBondContact O-CE1 3.43Å; H1015-L1059 HydrophobicContact CB-CD2 4.41Å; H1015-L1059 VanDerWaalsContact CD2-CD2 3.48Å; H1015-L1059 WeakPolarHBondContact CD2-CD2 3.48Å
1016F93.2Very high90.9Very high30 Ų3043.7 Ų43.713%0.13226%0.258CS..Hα-helixtrans-81.3-18.8169.4-91.2-117.2000113.6K1012 L1013 V1014 F1040 E1043 L1044 Q1047 K1052K1012-F1016 HydrophobicContact CD-CE2 4.33Å; K1012-F1016 HydrophobicContact CG-CD2 3.79Å; K1012-F1016 HydrophobicContact CG-CE2 3.79Å; K1012-F1016 WeakPolarHBondContact O-CB 3.4Å; K1012-F1016 VanDerWaalsContact O-CD2 3.24Å; K1012-F1016 WeakPolarHBondContact O-CD2 3.38Å; K1012-F1016 PolarHBondContact O-N 3.42Å; L1013-F1016 PolarHBondContact O-N 2.88Å; V1014-F1016 VanDerWaalsContact C-N 3.28Å; V1014-F1016 PolarHBondContact O-N 2.67Å; F1016-F1040 HydrophobicContact CD2-CD2 4.43Å; F1016-F1040 HydrophobicContact CE2-CB 4.44Å; F1016-F1040 AromaticContact CE2-CD2 3.95Å; F1016-F1040 HydrophobicContact CE2-CD2 3.95Å; F1016-F1040 HydrophobicContact CE2-CG 4.48Å; F1016-E1043 HydrophobicContact CZ-CB 4.17Å; F1016-E1043 HydrophobicContact CZ-CG 4Å; F1016-L1044 HydrophobicContact CB-CD1 4.39Å; F1016-L1044 HydrophobicContact CD1-CD1 4.06Å; F1016-L1044 HydrophobicContact CD2-CD1 3.71Å; F1016-L1044 HydrophobicContact CE1-CD1 4.25Å; F1016-L1044 HydrophobicContact CE2-CB 3.96Å; F1016-L1044 HydrophobicContact CE2-CD1 3.91Å; F1016-L1044 HydrophobicContact CE2-CG 4.42Å; F1016-L1044 HydrophobicContact CG-CD1 3.79Å; F1016-L1044 HydrophobicContact CZ-CB 4.16Å; F1016-L1044 HydrophobicContact CZ-CD1 4.18Å; F1016-Q1047 HydrophobicContact CE1-CG 4.26Å; F1016-K1052 VanDerWaalsContact O-CE 3.24Å; F1016-K1052 WeakPolarHBondContact O-CE 3.42Å
1017Q92.8Very high91Very high97 Ų9739.7 Ų39.745%0.45322%0.224SC..Hα-helixtrans-84-39.1167.5-68.8165.77.900111.5S929 L1013 V1014S929-Q1017 VanDerWaalsContact OG-CD 3.25Å; S929-Q1017 PolarHBondContact OG-NE2 3.34Å; S929-Q1017 PolarHBondContact OG-OE1 3.14Å; L1013-Q1017 WeakPolarHBondContact O-CG 3.43Å; L1013-Q1017 PolarHBondContact O-N 3.14Å; V1014-Q1017 WeakPolarHBondContact O-CB 3.31Å; V1014-Q1017 PolarHBondContact O-N 2.83Å; V1014-Q1017 VanDerWaalsContact O-N 3.17Å
1018G90.9Very high91Very high17 Ų1737.4 Ų37.418%0.17521%0.212CC..  trans86.1167.3-172.400000112.7Q933 V1014Q933-G1018 PolarHBondContact NE2-O 3.07Å; V1014-G1018 PolarHBondContact O-N 3.49Å
1019Y93.8Very high90.8Very high21 Ų2137.7 Ų37.78%0.08222%0.219CC..  trans-155.5165.6175.551.6-103.7000110.2L936 V1014 H1015 Q1021 L1023 L1024 T1027 F1055L936-Y1019 HydrophobicContact CD1-CD1 3.73Å; L936-Y1019 HydrophobicContact CD1-CE1 4.2Å; L936-Y1019 HydrophobicContact CD1-CG 3.91Å; V1014-Y1019 HydrophobicContact CG1-CD1 3.98Å; V1014-Y1019 HydrophobicContact CG1-CE1 4.2Å; H1015-Y1019 AromaticContact CD2-CE1 3.54Å; H1015-Y1019 AromaticContact CD2-CZ 3.92Å; H1015-Y1019 AromaticContact NE2-CE1 3.43Å; H1015-Y1019 WeakPolarHBondContact NE2-CE1 3.48Å; H1015-Y1019 AromaticContact NE2-CZ 3.58Å; H1015-Y1019 PolarHBondContact NE2-OH 2.97Å; Y1019-Q1021 PolarHBondContact O-N 3.37Å; Y1019-L1023 HydrophobicContact CD2-CB 4.06Å; Y1019-L1023 HydrophobicContact CE2-CB 4.26Å; Y1019-L1024 HydrophobicContact CE2-CD2 3.68Å; Y1019-L1024 HydrophobicContact CE2-CG 4.12Å; Y1019-T1027 HydrophobicContact CE2-CG2 4.15Å; Y1019-T1027 PolarHBondContact OH-OG1 2.88Å; Y1019-F1055 HydrophobicContact CD1-CE2 4.36Å; Y1019-F1055 AromaticContact CD1-CZ 3.86Å; Y1019-F1055 HydrophobicContact CD1-CZ 3.86Å; Y1019-F1055 HydrophobicContact CD2-CE2 4.17Å; Y1019-F1055 HydrophobicContact CD2-CZ 4.35Å; Y1019-F1055 HydrophobicContact CE1-CE2 4.44Å; Y1019-F1055 AromaticContact CE1-CZ 3.7Å; Y1019-F1055 HydrophobicContact CE1-CZ 3.7Å; Y1019-F1055 HydrophobicContact CE2-CE2 4.26Å; Y1019-F1055 HydrophobicContact CE2-CZ 4.21Å; Y1019-F1055 HydrophobicContact CG-CE2 4.23Å; Y1019-F1055 HydrophobicContact CG-CZ 4.2Å; Y1019-F1055 AromaticContact CZ-CZ 3.88Å
1020P89.5Confident90.6Very high61 Ų6133.9 Ų33.940%0.39621%0.205SC..  trans-56134.1-174.9-28.836.3000114.5A1022 L1023P1020-A1022 PolarHBondContact O-N 3.26Å; P1020-L1023 WeakPolarHBondContact O-CB 3.34Å; P1020-L1023 PolarHBondContact O-N 3.26Å
1021Q84.5Confident90.7Very high101 Ų10133.7 Ų33.747%0.47220%0.204SC..G310 helixtrans-53.3-33.2-176.6-175.3-178.6-19.300113.5Y1019 L1023 L1024 Q1058Y1019-Q1021 PolarHBondContact O-N 3.37Å; Q1021-L1023 PolarHBondContact O-N 3.1Å; Q1021-L1023 VanDerWaalsContact O-N 3.09Å; Q1021-L1024 HydrophobicContact CG-CD1 4.15Å; Q1021-L1024 WeakPolarHBondContact O-CB 3.23Å; Q1021-L1024 PolarHBondContact O-N 3.37Å; Q1021-L1024 VanDerWaalsContact O-N 3.1Å; Q1021-Q1058 VanDerWaalsContact CD-NE2 3.27Å
1022A85Confident90.7Very high77 Ų7737.2 Ų37.264%0.63623%0.227SC*.G310 helixtrans-58.3-21.4177.400000114.1P1020P1020-A1022 PolarHBondContact O-N 3.26Å
1023L90.3Very high90.6Very high5 Ų534.8 Ų34.83%0.02622%0.218CC..G310 helixtrans-91-16.5179.8-59.1174.5000113.3L936 C939 L940 Y1019 P1020 Q1021 L1026 T1027L936-L1023 HydrophobicContact CB-CD1 3.87Å; L936-L1023 HydrophobicContact CD2-CD1 4.42Å; L936-L1023 WeakPolarHBondContact O-CD1 3.22Å; C939-L1023 HydrophobicContact CB-CD2 3.81Å; L940-L1023 HydrophobicContact CD2-CD1 4.19Å; L940-L1023 HydrophobicContact CD2-CD2 3.81Å; L940-L1023 HydrophobicContact CD2-CG 3.94Å; L940-L1023 HydrophobicContact CG-CD2 4.37Å; Y1019-L1023 HydrophobicContact CD2-CB 4.06Å; Y1019-L1023 HydrophobicContact CE2-CB 4.26Å; P1020-L1023 WeakPolarHBondContact O-CB 3.34Å; P1020-L1023 PolarHBondContact O-N 3.26Å; Q1021-L1023 PolarHBondContact O-N 3.1Å; Q1021-L1023 VanDerWaalsContact O-N 3.09Å; L1023-L1026 HydrophobicContact CD2-CD2 4.22Å; L1023-L1026 WeakPolarHBondContact O-CA 3.14Å; L1023-L1026 WeakPolarHBondContact O-CB 3.31Å; L1023-L1026 PolarHBondContact O-N 3.13Å; L1023-L1026 VanDerWaalsContact O-N 3.09Å; L1023-T1027 PolarHBondContact O-N 3.31Å; L1023-T1027 PolarHBondContact O-OG1 3.29Å
1024L88.8Confident90.5Very high0 Ų031.9 Ų31.90%020%0.203CC..Hα-helixtrans-56-47.5179.5-72.6170.9000114.4Y1019 Q1021 L1026 T1027 V1028 F1055 Q1058 L1059 Y1062Y1019-L1024 HydrophobicContact CE2-CD2 3.68Å; Y1019-L1024 HydrophobicContact CE2-CG 4.12Å; Q1021-L1024 HydrophobicContact CG-CD1 4.15Å; Q1021-L1024 WeakPolarHBondContact O-CB 3.23Å; Q1021-L1024 PolarHBondContact O-N 3.37Å; Q1021-L1024 VanDerWaalsContact O-N 3.1Å; L1024-L1026 PolarHBondContact O-N 3.29Å; L1024-T1027 PolarHBondContact O-N 3.04Å; L1024-T1027 PolarHBondContact O-OG1 3.41Å; L1024-V1028 WeakPolarHBondContact O-CB 3.45Å; L1024-V1028 WeakPolarHBondContact O-CG2 3.38Å; L1024-V1028 PolarHBondContact O-N 2.85Å; L1024-F1055 HydrophobicContact CD2-CE2 3.91Å; L1024-F1055 HydrophobicContact CD2-CZ 4.12Å; L1024-F1055 HydrophobicContact CG-CE2 4.45Å; L1024-Q1058 HydrophobicContact CD1-CB 3.78Å; L1024-L1059 HydrophobicContact CD2-CB 4.21Å; L1024-L1059 HydrophobicContact CD2-CD1 3.76Å; L1024-Y1062 HydrophobicContact CB-CD2 3.59Å; L1024-Y1062 HydrophobicContact CB-CE2 3.66Å; L1024-Y1062 HydrophobicContact CB-CG 4.41Å; L1024-Y1062 HydrophobicContact CD1-CD2 4.04Å; L1024-Y1062 HydrophobicContact CD1-CE2 3.92Å; L1024-Y1062 HydrophobicContact CG-CD2 4.38Å; L1024-Y1062 HydrophobicContact CG-CE2 4.45Å
1025P88.8Confident90.2Very high61 Ų6136.2 Ų36.240%0.39622%0.223SC..Hα-helixtrans-65.4-29.7176.225.3-34.6000112.5A1029 Y1062P1025-A1029 VanDerWaalsContact O-CB 3.31Å; P1025-A1029 WeakPolarHBondContact O-CB 3.47Å; P1025-A1029 PolarHBondContact O-N 2.79Å; P1025-Y1062 HydrophobicContact CB-CD1 4.43Å; P1025-Y1062 HydrophobicContact CB-CE1 4.15Å
1026L89.5Confident90.1Very high17 Ų1738.9 Ų38.99%0.08924%0.237CC..Hα-helixtrans-70.5-49.5175.2170.164.8000111.6C939 R990 Q993 L1023 L1024 G1030C939-L1026 HydrophobicContact CB-CD2 3.79Å; R990-L1026 VanDerWaalsContact NH1-CD1 3.25Å; Q993-L1026 HydrophobicContact CB-CD1 3.98Å; Q993-L1026 HydrophobicContact CB-CD2 4.08Å; Q993-L1026 HydrophobicContact CG-CD1 4.39Å; Q993-L1026 HydrophobicContact CG-CD2 3.74Å; L1023-L1026 HydrophobicContact CD2-CD2 4.22Å; L1023-L1026 WeakPolarHBondContact O-CA 3.14Å; L1023-L1026 WeakPolarHBondContact O-CB 3.31Å; L1023-L1026 PolarHBondContact O-N 3.13Å; L1023-L1026 VanDerWaalsContact O-N 3.09Å; L1024-L1026 PolarHBondContact O-N 3.29Å; L1026-G1030 WeakPolarHBondContact O-CA 3.42Å; L1026-G1030 PolarHBondContact O-N 3.44Å
1027T90.4Very high90Very high3 Ų337.5 Ų37.52%0.01823%0.23CC..Hα-helixtrans-68.4-41.1-177.755.50000111.6L936 Y1019 L1023 L1024 I1031L936-T1027 HydrophobicContact CD2-CG2 3.58Å; Y1019-T1027 HydrophobicContact CE2-CG2 4.15Å; Y1019-T1027 PolarHBondContact OH-OG1 2.88Å; L1023-T1027 PolarHBondContact O-N 3.31Å; L1023-T1027 PolarHBondContact O-OG1 3.29Å; L1024-T1027 PolarHBondContact O-N 3.04Å; L1024-T1027 PolarHBondContact O-OG1 3.41Å; T1027-I1031 HydrophobicContact CG2-CD1 4.12Å; T1027-I1031 VanDerWaalsContact O-CB 3.27Å; T1027-I1031 WeakPolarHBondContact O-CB 3.47Å; T1027-I1031 WeakPolarHBondContact O-CG1 3.42Å; T1027-I1031 PolarHBondContact O-N 2.61Å
1028V90.7Very high90Very high4 Ų433 Ų332%0.02421%0.21CC..Hα-helixtrans-69.1-40-178.1173.40000112.8L1024 I1034 L1059 Y1062 L1063 Q1066 Y1067L1024-V1028 WeakPolarHBondContact O-CB 3.45Å; L1024-V1028 WeakPolarHBondContact O-CG2 3.38Å; L1024-V1028 PolarHBondContact O-N 2.85Å; V1028-I1034 HydrophobicContact CG2-CD1 4Å; V1028-L1059 HydrophobicContact CG2-CD1 4.12Å; V1028-Y1062 WeakPolarHBondContact CG1-O 3.49Å; V1028-L1063 HydrophobicContact CG1-CD2 4.12Å; V1028-L1063 HydrophobicContact CG2-CD2 4.28Å; V1028-L1063 HydrophobicContact CG2-CG 4.4Å; V1028-Q1066 HydrophobicContact CG1-CB 3.66Å; V1028-Q1066 HydrophobicContact CG1-CG 3.98Å; V1028-Y1067 HydrophobicContact CG1-CE2 4.34Å
1029A88.8Confident90Very high62 Ų6237 Ų3751%0.51223%0.227SC..Hα-helixtrans-82-28.8176.200000113.3P1025P1025-A1029 VanDerWaalsContact O-CB 3.31Å; P1025-A1029 WeakPolarHBondContact O-CB 3.47Å; P1025-A1029 PolarHBondContact O-N 2.79Å
1030G87.1Confident90Very high28 Ų2836.7 Ų36.729%0.28923%0.226SC..Hα-helixtrans-92.1-19.7-173.400000116C997 L1026 P1032C997-G1030 WeakPolarHBondContact CB-O 3.47Å; L1026-G1030 WeakPolarHBondContact O-CA 3.42Å; L1026-G1030 PolarHBondContact O-N 3.44Å; G1030-P1032 WeakPolarHBondContact O-CD 3.43Å
1031I94.2Very high90.3Very high1 Ų133.8 Ų33.81%0.00521%0.207CC..  trans-116.997-174.2-54.8175.8000109.8C997 L1000 H1001 F1004 T1027 S1033 I1034C997-I1031 HydrophobicContact CB-CG1 3.93Å; L1000-I1031 HydrophobicContact CB-CD1 3.78Å; L1000-I1031 HydrophobicContact CB-CG1 4.5Å; L1000-I1031 HydrophobicContact CD1-CD1 3.96Å; H1001-I1031 HydrophobicContact CB-CG2 4.04Å; F1004-I1031 HydrophobicContact CD2-CG2 3.93Å; F1004-I1031 HydrophobicContact CE2-CD1 4.23Å; F1004-I1031 HydrophobicContact CE2-CG2 4.24Å; T1027-I1031 HydrophobicContact CG2-CD1 4.12Å; T1027-I1031 VanDerWaalsContact O-CB 3.27Å; T1027-I1031 WeakPolarHBondContact O-CB 3.47Å; T1027-I1031 WeakPolarHBondContact O-CG1 3.42Å; T1027-I1031 PolarHBondContact O-N 2.61Å; I1031-S1033 PolarHBondContact O-N 3.11Å; I1031-S1033 VanDerWaalsContact O-N 3.08Å; I1031-I1034 HydrophobicContact CB-CB 4.37Å; I1031-I1034 HydrophobicContact CG2-CB 4.42Å; I1031-I1034 WeakPolarHBondContact O-CB 3.47Å; I1031-I1034 WeakPolarHBondContact O-CG2 3.44Å; I1031-I1034 PolarHBondContact O-N 2.67Å
1032P90.9Very high90.7Very high74 Ų7431.1 Ų31.148%0.48120%0.198SC..G310 helixtrans-60.2-25.1-173.8-2735.6000115.4G1030 I1034 H1035G1030-P1032 WeakPolarHBondContact O-CD 3.43Å; P1032-I1034 VanDerWaalsContact C-N 3.3Å; P1032-I1034 PolarHBondContact O-N 2.98Å; P1032-H1035 PolarHBondContact O-CE1 2.94Å; P1032-H1035 PolarHBondContact O-ND1 3.06Å
1033S92.4Very high91.2Very high8 Ų831.7 Ų31.76%0.05619%0.188CC..G310 helixtrans-76.3-10.5178.347.40000114.4H1001 I1031 H1035 I1036H1001-S1033 WeakPolarHBondContact ND1-CB 3.29Å; H1001-S1033 PolarHBondContact ND1-N 3.25Å; H1001-S1033 PolarHBondContact ND1-OG 2.87Å; I1031-S1033 PolarHBondContact O-N 3.11Å; I1031-S1033 VanDerWaalsContact O-N 3.08Å; S1033-H1035 PolarHBondContact O-N 3.38Å; S1033-H1035 VanDerWaalsContact O-N 3.08Å; S1033-I1036 WeakPolarHBondContact O-CB 3.46Å; S1033-I1036 VanDerWaalsContact O-CG2 3.23Å; S1033-I1036 WeakPolarHBondContact O-CG2 3.46Å; S1033-I1036 PolarHBondContact O-N 2.96Å; S1033-I1036 VanDerWaalsContact O-N 3.14Å
1034I91.1Very high91.4Very high1 Ų131.5 Ų31.51%0.00519%0.187CC..G310 helixtrans-66.5-13.5-172.7-157.9165.9000114.4V1028 I1031 P1032 I1036 C1037 L1063 Y1067V1028-I1034 HydrophobicContact CG2-CD1 4Å; I1031-I1034 HydrophobicContact CB-CB 4.37Å; I1031-I1034 HydrophobicContact CG2-CB 4.42Å; I1031-I1034 WeakPolarHBondContact O-CB 3.47Å; I1031-I1034 WeakPolarHBondContact O-CG2 3.44Å; I1031-I1034 PolarHBondContact O-N 2.67Å; P1032-I1034 VanDerWaalsContact C-N 3.3Å; P1032-I1034 PolarHBondContact O-N 2.98Å; I1034-I1036 PolarHBondContact O-N 3.02Å; I1034-I1036 VanDerWaalsContact O-N 3.13Å; I1034-C1037 VanDerWaalsContact O-CB 3.3Å; I1034-C1037 WeakPolarHBondContact O-CB 3.23Å; I1034-C1037 PolarHBondContact O-N 3.18Å; I1034-C1037 PolarHBondContact O-SG 3.04Å; I1034-L1063 HydrophobicContact CG2-CD2 4.01Å; I1034-Y1067 HydrophobicContact CG2-CE2 4Å
1035H89.1Confident91.5Very high90 Ų9031.8 Ų31.842%0.41719%0.189SC..G310 helixtrans-58.2-23171.166.7-94.1000113.2P1032 S1033 C1037 L1038 Y1067P1032-H1035 PolarHBondContact O-CE1 2.94Å; P1032-H1035 PolarHBondContact O-ND1 3.06Å; S1033-H1035 PolarHBondContact O-N 3.38Å; S1033-H1035 VanDerWaalsContact O-N 3.08Å; H1035-C1037 PolarHBondContact O-N 3.15Å; H1035-L1038 WeakPolarHBondContact O-CB 3.25Å; H1035-L1038 WeakPolarHBondContact O-CG 3.46Å; H1035-L1038 PolarHBondContact O-N 3.22Å; H1035-Y1067 HydrophobicContact CB-CD1 4.22Å; H1035-Y1067 HydrophobicContact CB-CD2 4.34Å; H1035-Y1067 HydrophobicContact CB-CE1 4.16Å; H1035-Y1067 HydrophobicContact CB-CE2 4.3Å; H1035-Y1067 HydrophobicContact CB-CG 4.31Å
1036I91Very high91.7Very high59 Ų5932.7 Ų32.730%0.30320%0.201SC..G310 helixtrans-61.3-20.8173.8-158.9171.2000113.1P1008 S1033 I1034 L1038 D1039P1008-I1036 HydrophobicContact CB-CD1 3.68Å; S1033-I1036 WeakPolarHBondContact O-CB 3.46Å; S1033-I1036 VanDerWaalsContact O-CG2 3.23Å; S1033-I1036 WeakPolarHBondContact O-CG2 3.46Å; S1033-I1036 PolarHBondContact O-N 2.96Å; S1033-I1036 VanDerWaalsContact O-N 3.14Å; I1034-I1036 PolarHBondContact O-N 3.02Å; I1034-I1036 VanDerWaalsContact O-N 3.13Å; I1036-L1038 PolarHBondContact O-N 3.27Å; I1036-D1039 WeakPolarHBondContact O-CB 3.44Å; I1036-D1039 PolarHBondContact O-N 2.99Å; I1036-D1039 VanDerWaalsContact O-N 3.13Å
1037C90.7Very high91.8Very high0 Ų033.9 Ų33.90%021%0.206CC..G310 helixtrans-64.2-23.3178.1-600000112.9I1034 H1035 D1039 F1040 I1041 L1059 L1063I1034-C1037 VanDerWaalsContact O-CB 3.3Å; I1034-C1037 WeakPolarHBondContact O-CB 3.23Å; I1034-C1037 PolarHBondContact O-N 3.18Å; I1034-C1037 PolarHBondContact O-SG 3.04Å; H1035-C1037 PolarHBondContact O-N 3.15Å; C1037-D1039 PolarHBondContact O-N 3.38Å; C1037-D1039 VanDerWaalsContact O-N 3.12Å; C1037-F1040 HydrophobicContact CB-CE1 4.33Å; C1037-F1040 HydrophobicContact CB-CE2 4Å; C1037-F1040 HydrophobicContact CB-CZ 3.77Å; C1037-F1040 PolarHBondContact O-N 3.09Å; C1037-F1040 WeakPolarHBondContact SG-CZ 3.31Å; C1037-I1041 HydrophobicContact CB-CD1 4.29Å; C1037-I1041 WeakPolarHBondContact O-CD1 3.42Å; C1037-I1041 VanDerWaalsContact O-CG1 3.23Å; C1037-I1041 WeakPolarHBondContact O-CG1 3.42Å; C1037-I1041 PolarHBondContact O-N 3.16Å; C1037-L1059 HydrophobicContact CB-CD2 4.19Å; C1037-L1063 HydrophobicContact CB-CD1 3.94Å
1038L91.6Very high91.8Very high4 Ų438.9 Ų38.92%0.02124%0.239CC..G310 helixtrans-58.9-21.7173.9-65.6175.9000113.2H1035 I1036 I1041 L1060 L1063 L1069H1035-L1038 WeakPolarHBondContact O-CB 3.25Å; H1035-L1038 WeakPolarHBondContact O-CG 3.46Å; H1035-L1038 PolarHBondContact O-N 3.22Å; I1036-L1038 PolarHBondContact O-N 3.27Å; L1038-I1041 HydrophobicContact CD2-CD1 4.44Å; L1038-L1060 HydrophobicContact CD2-CD1 3.66Å; L1038-L1063 HydrophobicContact CD2-CB 4.19Å; L1038-L1063 HydrophobicContact CD2-CD1 4.13Å; L1038-L1063 HydrophobicContact CG-CD1 4.45Å; L1038-L1069 HydrophobicContact CD1-CD1 4.44Å
1039D92.4Very high91.8Very high99 Ų9942.6 Ų42.653%0.52926%0.256SS..G310 helixtrans-76.5-34.6179.1-72.858.9000112.8I1036 C1037 K1071I1036-D1039 WeakPolarHBondContact O-CB 3.44Å; I1036-D1039 PolarHBondContact O-N 2.99Å; I1036-D1039 VanDerWaalsContact O-N 3.13Å; C1037-D1039 PolarHBondContact O-N 3.38Å; C1037-D1039 VanDerWaalsContact O-N 3.12Å; D1039-K1071 IonicContact OD1-NZ 3.94Å; D1039-K1071 PolarHBondContact OD1-NZ 3.29Å; D1039-K1071 IonicContact OD2-NZ 3.65Å; D1039-K1071 PolarHBondContact OD2-NZ 3.22Å
1040F93.9Very high91.8Very high15 Ų1541.1 Ų41.17%0.06624%0.239CC..THydrogen-bonded Turntrans-110.3-5.8-176.761-111.7000114.6K1012 H1015 F1016 C1037 P1042 E1043 L1044K1012-F1040 VanDerWaalsContact CA-CZ 3.49Å; K1012-F1040 HydrophobicContact CB-CD1 3.86Å; K1012-F1040 HydrophobicContact CB-CE1 3.72Å; K1012-F1040 HydrophobicContact CB-CG 4.32Å; K1012-F1040 HydrophobicContact CB-CZ 4.08Å; K1012-F1040 HydrophobicContact CD-CB 4.13Å; K1012-F1040 HydrophobicContact CD-CD1 4.28Å; K1012-F1040 HydrophobicContact CD-CG 4.23Å; K1012-F1040 HydrophobicContact CG-CB 4.33Å; K1012-F1040 HydrophobicContact CG-CD1 3.98Å; K1012-F1040 HydrophobicContact CG-CD2 4.22Å; K1012-F1040 HydrophobicContact CG-CE1 4.25Å; K1012-F1040 HydrophobicContact CG-CG 3.94Å; K1012-F1040 HydrophobicContact CG-CZ 4.5Å; H1015-F1040 HydrophobicContact CB-CE2 3.82Å; H1015-F1040 HydrophobicContact CB-CZ 4.2Å; F1016-F1040 HydrophobicContact CD2-CD2 4.43Å; F1016-F1040 HydrophobicContact CE2-CB 4.44Å; F1016-F1040 AromaticContact CE2-CD2 3.95Å; F1016-F1040 HydrophobicContact CE2-CD2 3.95Å; F1016-F1040 HydrophobicContact CE2-CG 4.48Å; C1037-F1040 HydrophobicContact CB-CE1 4.33Å; C1037-F1040 HydrophobicContact CB-CE2 4Å; C1037-F1040 HydrophobicContact CB-CZ 3.77Å; C1037-F1040 PolarHBondContact O-N 3.09Å; C1037-F1040 WeakPolarHBondContact SG-CZ 3.31Å; F1040-P1042 VanDerWaalsContact C-N 3.34Å; F1040-E1043 WeakPolarHBondContact O-CB 3.38Å; F1040-E1043 PolarHBondContact O-N 2.87Å; F1040-L1044 PolarHBondContact O-N 2.87Å
1041I94.5Very high91.9Very high0 Ų047.5 Ų47.50%026%0.261CS..Hα-helixtrans-54.4-40.5171.7-82.1162.7000113.1C1037 L1038 E1043 L1044 L1045 L1059 L1060 L1063 V1075C1037-I1041 HydrophobicContact CB-CD1 4.29Å; C1037-I1041 WeakPolarHBondContact O-CD1 3.42Å; C1037-I1041 VanDerWaalsContact O-CG1 3.23Å; C1037-I1041 WeakPolarHBondContact O-CG1 3.42Å; C1037-I1041 PolarHBondContact O-N 3.16Å; L1038-I1041 HydrophobicContact CD2-CD1 4.44Å; I1041-E1043 VanDerWaalsContact C-N 3.27Å; I1041-E1043 PolarHBondContact O-N 2.94Å; I1041-L1044 PolarHBondContact O-N 3.05Å; I1041-L1044 VanDerWaalsContact O-N 3.15Å; I1041-L1045 HydrophobicContact CG2-CD1 3.87Å; I1041-L1045 HydrophobicContact CG2-CG 4.23Å; I1041-L1045 WeakPolarHBondContact O-CB 3.41Å; I1041-L1045 VanDerWaalsContact O-CG 3.32Å; I1041-L1045 WeakPolarHBondContact O-CG 3.42Å; I1041-L1045 PolarHBondContact O-N 2.9Å; I1041-L1059 HydrophobicContact CD1-CD2 4.04Å; I1041-L1059 HydrophobicContact CD1-CG 4.24Å; I1041-L1059 HydrophobicContact CG1-CD2 4.25Å; I1041-L1060 HydrophobicContact CD1-CB 4.22Å; I1041-L1060 HydrophobicContact CD1-CD1 4.17Å; I1041-L1060 HydrophobicContact CG2-CB 4.36Å; I1041-L1060 HydrophobicContact CG2-CD1 4.33Å; I1041-L1060 HydrophobicContact CG2-CD2 4.17Å; I1041-L1063 HydrophobicContact CD1-CD1 3.53Å; I1041-V1075 HydrophobicContact CB-CG1 4.28Å; I1041-V1075 HydrophobicContact CG2-CG1 3.59Å
1042P94.6Very high91.8Very high45 Ų4550 Ų5029%0.29227%0.272SS..Hα-helixtrans-58.4-35.2172.9-2736.6000114.1F1040 A1046 V1075 L1078F1040-P1042 VanDerWaalsContact C-N 3.34Å; P1042-A1046 WeakPolarHBondContact O-CB 3.21Å; P1042-A1046 PolarHBondContact O-N 3.26Å; P1042-A1046 VanDerWaalsContact O-N 3.16Å; P1042-V1075 HydrophobicContact CG-CG1 4.23Å; P1042-V1075 HydrophobicContact CG-CG2 4.21Å; P1042-L1078 HydrophobicContact CB-CD2 3.97Å; P1042-L1078 HydrophobicContact CG-CD2 4.21Å
1043E95.3Very high91.9Very high90 Ų9047.3 Ų47.342%0.42125%0.253SS..Hα-helixtrans-75.6-30.6177.3-166.7-168.2147.800112.2K1012 F1016 F1040 I1041 Q1047K1012-E1043 WeakPolarHBondContact CE-OE1 3.49Å; K1012-E1043 WeakPolarHBondContact CE-OE2 3.4Å; K1012-E1043 IonicContact NZ-OE1 3.5Å; K1012-E1043 PolarHBondContact NZ-OE1 2.93Å; K1012-E1043 IonicContact NZ-OE2 3.07Å; K1012-E1043 PolarHBondContact NZ-OE2 3.49Å; F1016-E1043 HydrophobicContact CZ-CB 4.17Å; F1016-E1043 HydrophobicContact CZ-CG 4Å; F1040-E1043 WeakPolarHBondContact O-CB 3.38Å; F1040-E1043 PolarHBondContact O-N 2.87Å; I1041-E1043 VanDerWaalsContact C-N 3.27Å; I1041-E1043 PolarHBondContact O-N 2.94Å; E1043-Q1047 PolarHBondContact O-NE2 2.77Å; E1043-Q1047 VanDerWaalsContact O-NE2 3.16Å
1044L93.1Very high91.9Very high0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-74.7-37.6174.3-169.462.3000112H1015 F1016 F1040 I1041 A1046 Q1047 K1052 F1055 A1056H1015-L1044 WeakPolarHBondContact O-CD2 3.26Å; F1016-L1044 HydrophobicContact CB-CD1 4.39Å; F1016-L1044 HydrophobicContact CD1-CD1 4.06Å; F1016-L1044 HydrophobicContact CD2-CD1 3.71Å; F1016-L1044 HydrophobicContact CE1-CD1 4.25Å; F1016-L1044 HydrophobicContact CE2-CB 3.96Å; F1016-L1044 HydrophobicContact CE2-CD1 3.91Å; F1016-L1044 HydrophobicContact CE2-CG 4.42Å; F1016-L1044 HydrophobicContact CG-CD1 3.79Å; F1016-L1044 HydrophobicContact CZ-CB 4.16Å; F1016-L1044 HydrophobicContact CZ-CD1 4.18Å; F1040-L1044 PolarHBondContact O-N 2.87Å; I1041-L1044 PolarHBondContact O-N 3.05Å; I1041-L1044 VanDerWaalsContact O-N 3.15Å; L1044-A1046 VanDerWaalsContact C-N 3.28Å; L1044-A1046 PolarHBondContact O-N 3.42Å; L1044-Q1047 HydrophobicContact CD1-CG 4.18Å; L1044-Q1047 VanDerWaalsContact O-CB 3.31Å; L1044-Q1047 WeakPolarHBondContact O-CB 3.48Å; L1044-Q1047 WeakPolarHBondContact O-CG 3.49Å; L1044-Q1047 PolarHBondContact O-N 3.34Å; L1044-K1052 HydrophobicContact CD1-CB 3.98Å; L1044-K1052 HydrophobicContact CD1-CD 4.22Å; L1044-K1052 HydrophobicContact CD1-CG 4.39Å; L1044-F1055 HydrophobicContact CD2-CD1 4.27Å; L1044-A1056 HydrophobicContact CB-CB 4.19Å; L1044-A1056 HydrophobicContact CD2-CB 3.78Å; L1044-A1056 HydrophobicContact CG-CB 3.85Å
1045L91.8Very high92.1Very high7 Ų748.7 Ų48.74%0.03726%0.259CS..Hα-helixtrans-64.5-31.1170.4-71.8168.3000112.2I1041 Q1047 Q1053 A1056 I1057 A1079I1041-L1045 HydrophobicContact CG2-CD1 3.87Å; I1041-L1045 HydrophobicContact CG2-CG 4.23Å; I1041-L1045 WeakPolarHBondContact O-CB 3.41Å; I1041-L1045 VanDerWaalsContact O-CG 3.32Å; I1041-L1045 WeakPolarHBondContact O-CG 3.42Å; I1041-L1045 PolarHBondContact O-N 2.9Å; L1045-Q1047 PolarHBondContact O-N 2.95Å; L1045-Q1053 PolarHBondContact O-NE2 3.11Å; L1045-A1056 HydrophobicContact CD2-CB 3.77Å; L1045-A1056 HydrophobicContact CG-CB 3.96Å; L1045-I1057 HydrophobicContact CD2-CD1 4.38Å; L1045-I1057 HydrophobicContact CD2-CG1 3.78Å; L1045-A1079 HydrophobicContact CD1-CB 4.07Å
1046A92.3Very high92.3Very high80 Ų8044.4 Ų44.466%0.66124%0.239SC*.THydrogen-bonded Turntrans-76.1-3.6176.100000114.3P1042 L1044P1042-A1046 WeakPolarHBondContact O-CB 3.21Å; P1042-A1046 PolarHBondContact O-N 3.26Å; P1042-A1046 VanDerWaalsContact O-N 3.16Å; L1044-A1046 VanDerWaalsContact C-N 3.28Å; L1044-A1046 PolarHBondContact O-N 3.42Å
1047Q92.6Very high92.4Very high41 Ų4141.6 Ų41.619%0.19223%0.225CC..SBendtrans-68.7146.7178.6-63.1-65.2-67.100111.8F1016 E1043 L1044 L1045 Q1049 K1052 Q1053F1016-Q1047 HydrophobicContact CE1-CG 4.26Å; E1043-Q1047 PolarHBondContact O-NE2 2.77Å; E1043-Q1047 VanDerWaalsContact O-NE2 3.16Å; L1044-Q1047 HydrophobicContact CD1-CG 4.18Å; L1044-Q1047 VanDerWaalsContact O-CB 3.31Å; L1044-Q1047 WeakPolarHBondContact O-CB 3.48Å; L1044-Q1047 WeakPolarHBondContact O-CG 3.49Å; L1044-Q1047 PolarHBondContact O-N 3.34Å; L1045-Q1047 PolarHBondContact O-N 2.95Å; Q1047-Q1049 VanDerWaalsContact C-N 3.29Å; Q1047-Q1049 PolarHBondContact O-N 3.41Å; Q1047-K1052 HydrophobicContact CB-CB 4.16Å; Q1047-K1052 HydrophobicContact CB-CD 3.91Å; Q1047-K1052 HydrophobicContact CG-CB 4.43Å; Q1047-K1052 HydrophobicContact CG-CD 3.81Å; Q1047-Q1053 PolarHBondContact O-NE2 3.13Å
1048P89.8Confident92.5Very high108 Ų10842.1 Ų42.170%0.70123%0.227SC*.SBendtrans-78.8-7.9179.332-35.6000114.1
1049Q91.2Very high92.6Very high83 Ų8341.9 Ų41.939%0.38823%0.226SC..  trans-89.4121.1176.2-62.888.62300111.1Q1047 E1051 K1052 Q1053Q1047-Q1049 VanDerWaalsContact C-N 3.29Å; Q1047-Q1049 PolarHBondContact O-N 3.41Å; Q1049-E1051 VanDerWaalsContact C-N 3.28Å; Q1049-E1051 PolarHBondContact O-N 2.95Å; Q1049-K1052 HydrophobicContact CB-CD 4.33Å; Q1049-K1052 HydrophobicContact CB-CG 4.22Å; Q1049-K1052 PolarHBondContact O-N 3.42Å; Q1049-Q1053 PolarHBondContact O-N 3.03Å
1050L89.4Confident92.7Very high31 Ų3137.2 Ų37.216%0.16220%0.201CC..Hα-helixtrans-58.6-37.4-179.9-65.4177.8000112.9K1052 Q1053 I1054 L1090 K1094 F1098L1050-K1052 VanDerWaalsContact C-N 3.29Å; L1050-K1052 PolarHBondContact O-N 3.19Å; L1050-Q1053 WeakPolarHBondContact O-CB 3.18Å; L1050-Q1053 PolarHBondContact O-N 3.43Å; L1050-Q1053 VanDerWaalsContact O-N 3.1Å; L1050-I1054 WeakPolarHBondContact O-CD1 3.43Å; L1050-I1054 VanDerWaalsContact O-CG1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.35Å; L1050-I1054 PolarHBondContact O-N 3.34Å; L1050-L1090 HydrophobicContact CD1-CD2 4.5Å; L1050-L1090 HydrophobicContact CD2-CD1 3.99Å; L1050-L1090 HydrophobicContact CD2-CD2 3.92Å; L1050-K1094 HydrophobicContact CD1-CB 3.83Å; L1050-K1094 HydrophobicContact CD1-CD 3.94Å; L1050-K1094 HydrophobicContact CD1-CG 3.78Å; L1050-F1098 HydrophobicContact CD2-CD2 4.17Å
1051E89.1Confident92.6Very high161 Ų16136.9 Ų36.975%0.75220%0.201SC*.Hα-helixtrans-56.5-41.9178.1-69.9152.5-160.400111.9Q1049 F1055Q1049-E1051 VanDerWaalsContact C-N 3.28Å; Q1049-E1051 PolarHBondContact O-N 2.95Å; E1051-F1055 WeakPolarHBondContact O-CB 3.34Å; E1051-F1055 PolarHBondContact O-N 2.96Å
1052K91.9Very high92.5Very high53 Ų5340.2 Ų40.223%0.2321%0.214CC..Hα-helixtrans-69.3-37.4175.9-64.4-176-173.9168.90112.5F1016 L1044 Q1047 Q1049 L1050 A1056F1016-K1052 VanDerWaalsContact O-CE 3.24Å; F1016-K1052 WeakPolarHBondContact O-CE 3.42Å; L1044-K1052 HydrophobicContact CD1-CB 3.98Å; L1044-K1052 HydrophobicContact CD1-CD 4.22Å; L1044-K1052 HydrophobicContact CD1-CG 4.39Å; Q1047-K1052 HydrophobicContact CB-CB 4.16Å; Q1047-K1052 HydrophobicContact CB-CD 3.91Å; Q1047-K1052 HydrophobicContact CG-CB 4.43Å; Q1047-K1052 HydrophobicContact CG-CD 3.81Å; Q1049-K1052 HydrophobicContact CB-CD 4.33Å; Q1049-K1052 HydrophobicContact CB-CG 4.22Å; Q1049-K1052 PolarHBondContact O-N 3.42Å; L1050-K1052 VanDerWaalsContact C-N 3.29Å; L1050-K1052 PolarHBondContact O-N 3.19Å; K1052-A1056 VanDerWaalsContact O-CB 3.28Å; K1052-A1056 WeakPolarHBondContact O-CB 3.45Å; K1052-A1056 PolarHBondContact O-N 3.46Å
1053Q92.3Very high92.3Very high18 Ų1838 Ų388%0.08420%0.2CC..Hα-helixtrans-66.3-43.3176.1-61.8179.8-14.300111.3L1045 Q1047 Q1049 L1050 A1056 I1057 L1086 F1098L1045-Q1053 PolarHBondContact O-NE2 3.11Å; Q1047-Q1053 PolarHBondContact O-NE2 3.13Å; Q1049-Q1053 PolarHBondContact O-N 3.03Å; L1050-Q1053 WeakPolarHBondContact O-CB 3.18Å; L1050-Q1053 PolarHBondContact O-N 3.43Å; L1050-Q1053 VanDerWaalsContact O-N 3.1Å; Q1053-A1056 PolarHBondContact O-N 2.83Å; Q1053-I1057 WeakPolarHBondContact O-CD1 3.49Å; Q1053-I1057 VanDerWaalsContact O-CG1 3.29Å; Q1053-I1057 WeakPolarHBondContact O-CG1 3.49Å; Q1053-I1057 PolarHBondContact O-N 3.16Å; Q1053-L1086 VanDerWaalsContact OE1-CD1 3.29Å; Q1053-F1098 HydrophobicContact CB-CE2 3.95Å
1054I92.9Very high92.2Very high23 Ų2333.8 Ų33.812%0.11818%0.18CC..Hα-helixtrans-60.4-51.4174.6-66.9159.6000109.7L1050 A1056 I1057 Q1058 S1097 F1098 P1101 T1102L1050-I1054 WeakPolarHBondContact O-CD1 3.43Å; L1050-I1054 VanDerWaalsContact O-CG1 3.26Å; L1050-I1054 WeakPolarHBondContact O-CG1 3.35Å; L1050-I1054 PolarHBondContact O-N 3.34Å; I1054-A1056 VanDerWaalsContact C-N 3.31Å; I1054-A1056 PolarHBondContact O-N 2.86Å; I1054-I1057 PolarHBondContact O-N 3.24Å; I1054-I1057 VanDerWaalsContact O-N 3.15Å; I1054-Q1058 HydrophobicContact CG2-CG 4.45Å; I1054-Q1058 WeakPolarHBondContact O-CG 3.3Å; I1054-Q1058 PolarHBondContact O-N 3.33Å; I1054-S1097 WeakPolarHBondContact CD1-O 3.4Å; I1054-F1098 HydrophobicContact CD1-CD2 4.36Å; I1054-F1098 HydrophobicContact CG1-CD2 3.77Å; I1054-F1098 HydrophobicContact CG1-CE2 4.26Å; I1054-F1098 HydrophobicContact CG1-CG 4.49Å; I1054-P1101 HydrophobicContact CD1-CG 4.14Å; I1054-P1101 HydrophobicContact CG1-CG 4.24Å; I1054-P1101 HydrophobicContact CG2-CB 3.86Å; I1054-P1101 HydrophobicContact CG2-CG 3.61Å; I1054-T1102 HydrophobicContact CB-CG2 4.26Å; I1054-T1102 HydrophobicContact CG1-CG2 4.08Å; I1054-T1102 HydrophobicContact CG2-CG2 4.1Å
1055F94.3Very high92Very high15 Ų1537 Ų377%0.06620%0.2CC..Hα-helixtrans-60.2-38.9178.1-179.2-97.9000112.3H1015 Y1019 L1024 L1044 E1051 Q1058 L1059H1015-F1055 HydrophobicContact CB-CE1 4.09Å; H1015-F1055 AromaticContact CD2-CE1 3.84Å; H1015-F1055 AromaticContact CD2-CZ 3.9Å; H1015-F1055 WeakPolarHBondContact O-CE1 3.43Å; Y1019-F1055 HydrophobicContact CD1-CE2 4.36Å; Y1019-F1055 AromaticContact CD1-CZ 3.86Å; Y1019-F1055 HydrophobicContact CD1-CZ 3.86Å; Y1019-F1055 HydrophobicContact CD2-CE2 4.17Å; Y1019-F1055 HydrophobicContact CD2-CZ 4.35Å; Y1019-F1055 HydrophobicContact CE1-CE2 4.44Å; Y1019-F1055 AromaticContact CE1-CZ 3.7Å; Y1019-F1055 HydrophobicContact CE1-CZ 3.7Å; Y1019-F1055 HydrophobicContact CE2-CE2 4.26Å; Y1019-F1055 HydrophobicContact CE2-CZ 4.21Å; Y1019-F1055 HydrophobicContact CG-CE2 4.23Å; Y1019-F1055 HydrophobicContact CG-CZ 4.2Å; Y1019-F1055 AromaticContact CZ-CZ 3.88Å; L1024-F1055 HydrophobicContact CD2-CE2 3.91Å; L1024-F1055 HydrophobicContact CD2-CZ 4.12Å; L1024-F1055 HydrophobicContact CG-CE2 4.45Å; L1044-F1055 HydrophobicContact CD2-CD1 4.27Å; E1051-F1055 WeakPolarHBondContact O-CB 3.34Å; E1051-F1055 PolarHBondContact O-N 2.96Å; F1055-Q1058 PolarHBondContact O-N 3.07Å; F1055-L1059 HydrophobicContact CE1-CD2 4.36Å; F1055-L1059 VanDerWaalsContact O-CB 3.23Å; F1055-L1059 WeakPolarHBondContact O-CB 3.16Å; F1055-L1059 PolarHBondContact O-N 2.88Å
1056A94.4Very high91.9Very high0 Ų041.5 Ų41.50%022%0.221CC..Hα-helixtrans-62.6-42174.300000112.8L1044 L1045 K1052 Q1053 I1054 L1060L1044-A1056 HydrophobicContact CB-CB 4.19Å; L1044-A1056 HydrophobicContact CD2-CB 3.78Å; L1044-A1056 HydrophobicContact CG-CB 3.85Å; L1045-A1056 HydrophobicContact CD2-CB 3.77Å; L1045-A1056 HydrophobicContact CG-CB 3.96Å; K1052-A1056 VanDerWaalsContact O-CB 3.28Å; K1052-A1056 WeakPolarHBondContact O-CB 3.45Å; K1052-A1056 PolarHBondContact O-N 3.46Å; Q1053-A1056 PolarHBondContact O-N 2.83Å; I1054-A1056 VanDerWaalsContact C-N 3.31Å; I1054-A1056 PolarHBondContact O-N 2.86Å; A1056-L1060 WeakPolarHBondContact O-CB 3.27Å; A1056-L1060 PolarHBondContact O-N 3.43Å
1057I93.6Very high91.8Very high0 Ų039.9 Ų39.90%020%0.198CC..Hα-helixtrans-67.1-41.9177.1-67.1160.4000110.6L1045 Q1053 I1054 L1060 S1061 M1083 F1098 T1102 C1105 F1109L1045-I1057 HydrophobicContact CD2-CD1 4.38Å; L1045-I1057 HydrophobicContact CD2-CG1 3.78Å; Q1053-I1057 WeakPolarHBondContact O-CD1 3.49Å; Q1053-I1057 VanDerWaalsContact O-CG1 3.29Å; Q1053-I1057 WeakPolarHBondContact O-CG1 3.49Å; Q1053-I1057 PolarHBondContact O-N 3.16Å; I1054-I1057 PolarHBondContact O-N 3.24Å; I1054-I1057 VanDerWaalsContact O-N 3.15Å; I1057-L1060 PolarHBondContact O-N 2.94Å; I1057-S1061 WeakPolarHBondContact O-CB 3.28Å; I1057-S1061 PolarHBondContact O-N 2.72Å; I1057-M1083 HydrophobicContact CD1-CG 3.65Å; I1057-M1083 HydrophobicContact CD1-SD 3.86Å; I1057-M1083 HydrophobicContact CG1-SD 4.37Å; I1057-M1083 HydrophobicContact CG2-SD 4.1Å; I1057-F1098 HydrophobicContact CD1-CE1 4.43Å; I1057-F1098 HydrophobicContact CD1-CE2 4.04Å; I1057-F1098 HydrophobicContact CD1-CZ 3.56Å; I1057-T1102 HydrophobicContact CB-CG2 4.07Å; I1057-T1102 HydrophobicContact CD1-CG2 3.82Å; I1057-T1102 HydrophobicContact CG2-CG2 3.97Å; I1057-C1105 HydrophobicContact CG2-CB 3.77Å; I1057-F1109 HydrophobicContact CG2-CE2 4.36Å; I1057-F1109 HydrophobicContact CG2-CZ 4.33Å
1058Q92.3Very high91.5Very high11 Ų1141.5 Ų41.55%0.05122%0.218CC..Hα-helixtrans-64.3-49.2176.4-70.7-178.5-24.300112Q1021 L1024 I1054 F1055 L1060 S1061 Y1062 P1101Q1021-Q1058 VanDerWaalsContact CD-NE2 3.27Å; L1024-Q1058 HydrophobicContact CD1-CB 3.78Å; I1054-Q1058 HydrophobicContact CG2-CG 4.45Å; I1054-Q1058 WeakPolarHBondContact O-CG 3.3Å; I1054-Q1058 PolarHBondContact O-N 3.33Å; F1055-Q1058 PolarHBondContact O-N 3.07Å; Q1058-L1060 PolarHBondContact O-N 3.44Å; Q1058-S1061 WeakPolarHBondContact O-CB 3.37Å; Q1058-S1061 PolarHBondContact O-N 3.45Å; Q1058-Y1062 WeakPolarHBondContact O-CD2 3.41Å; Q1058-Y1062 PolarHBondContact O-N 3.41Å; Q1058-P1101 PolarHBondContact NE2-O 3.1Å
1059L93.2Very high91.6Very high0 Ų040.2 Ų40.20%021%0.205CC..Hα-helixtrans-58.6-46.5175.4178.467.4000111.2H1015 L1024 V1028 C1037 I1041 F1055 S1061 Y1062 L1063H1015-L1059 HydrophobicContact CB-CD2 4.41Å; H1015-L1059 VanDerWaalsContact CD2-CD2 3.48Å; H1015-L1059 WeakPolarHBondContact CD2-CD2 3.48Å; L1024-L1059 HydrophobicContact CD2-CB 4.21Å; L1024-L1059 HydrophobicContact CD2-CD1 3.76Å; V1028-L1059 HydrophobicContact CG2-CD1 4.12Å; C1037-L1059 HydrophobicContact CB-CD2 4.19Å; I1041-L1059 HydrophobicContact CD1-CD2 4.04Å; I1041-L1059 HydrophobicContact CD1-CG 4.24Å; I1041-L1059 HydrophobicContact CG1-CD2 4.25Å; F1055-L1059 HydrophobicContact CE1-CD2 4.36Å; F1055-L1059 VanDerWaalsContact O-CB 3.23Å; F1055-L1059 WeakPolarHBondContact O-CB 3.16Å; F1055-L1059 PolarHBondContact O-N 2.88Å; L1059-S1061 VanDerWaalsContact C-N 3.32Å; L1059-S1061 PolarHBondContact O-N 2.85Å; L1059-Y1062 PolarHBondContact O-N 3.4Å; L1059-L1063 HydrophobicContact CD1-CD1 4.25Å; L1059-L1063 HydrophobicContact CD1-CG 4.48Å; L1059-L1063 HydrophobicContact CD2-CD1 4.49Å; L1059-L1063 HydrophobicContact CG-CD1 3.88Å; L1059-L1063 HydrophobicContact CG-CG 4.49Å; L1059-L1063 WeakPolarHBondContact O-CB 3.49Å; L1059-L1063 VanDerWaalsContact O-CG 3.3Å; L1059-L1063 WeakPolarHBondContact O-CG 3.39Å; L1059-L1063 PolarHBondContact O-N 3.07Å
1060L94.1Very high91.6Very high0 Ų041.5 Ų41.50%022%0.22CC..Hα-helixtrans-60.8-40.6176.7-175.462.3000111.4L1038 I1041 A1056 I1057 Q1058 Y1062 L1063 C1064 V1075 A1079 F1109L1038-L1060 HydrophobicContact CD2-CD1 3.66Å; I1041-L1060 HydrophobicContact CD1-CB 4.22Å; I1041-L1060 HydrophobicContact CD1-CD1 4.17Å; I1041-L1060 HydrophobicContact CG2-CB 4.36Å; I1041-L1060 HydrophobicContact CG2-CD1 4.33Å; I1041-L1060 HydrophobicContact CG2-CD2 4.17Å; A1056-L1060 WeakPolarHBondContact O-CB 3.27Å; A1056-L1060 PolarHBondContact O-N 3.43Å; I1057-L1060 PolarHBondContact O-N 2.94Å; Q1058-L1060 PolarHBondContact O-N 3.44Å; L1060-Y1062 PolarHBondContact O-N 2.82Å; L1060-L1063 CarbonylContact O-C 3.48Å; L1060-L1063 PolarHBondContact O-N 3.01Å; L1060-C1064 WeakPolarHBondContact O-CB 3.43Å; L1060-C1064 PolarHBondContact O-N 2.62Å; L1060-C1064 PolarHBondContact O-SG 3.34Å; L1060-V1075 HydrophobicContact CD1-CB 4.18Å; L1060-V1075 HydrophobicContact CD1-CG1 3.74Å; L1060-V1075 HydrophobicContact CD2-CG1 3.83Å; L1060-V1075 HydrophobicContact CG-CG1 4.45Å; L1060-A1079 HydrophobicContact CD2-CB 3.6Å; L1060-F1109 HydrophobicContact CB-CE1 4.26Å; L1060-F1109 HydrophobicContact CB-CZ 4.28Å; L1060-F1109 HydrophobicContact CD2-CE1 4.16Å; L1060-F1109 HydrophobicContact CD2-CZ 3.91Å; L1060-F1109 HydrophobicContact CG-CE1 3.82Å; L1060-F1109 HydrophobicContact CG-CZ 4.01Å
1061S92.3Very high91.7Very high8 Ų844.4 Ų44.46%0.05623%0.231CC..Hα-helixtrans-55.5-50.4176.2154.10000112.3I1057 Q1058 L1059 C1064 T1065 A1108 F1109I1057-S1061 WeakPolarHBondContact O-CB 3.28Å; I1057-S1061 PolarHBondContact O-N 2.72Å; Q1058-S1061 WeakPolarHBondContact O-CB 3.37Å; Q1058-S1061 PolarHBondContact O-N 3.45Å; L1059-S1061 VanDerWaalsContact C-N 3.32Å; L1059-S1061 PolarHBondContact O-N 2.85Å; S1061-C1064 PolarHBondContact O-N 2.84Å; S1061-T1065 PolarHBondContact O-N 3.11Å; S1061-T1065 PolarHBondContact O-OG1 3.28Å; S1061-A1108 VanDerWaalsContact OG-CB 3.23Å; S1061-A1108 WeakPolarHBondContact OG-CB 3.12Å; S1061-F1109 VanDerWaalsContact CA-CE1 3.49Å
1062Y91.6Very high91.8Very high70 Ų7036.7 Ų36.728%0.27520%0.195SC..Hα-helixtrans-68-35.4175.8-67.9-71.6000112.7L1024 P1025 V1028 Q1058 L1059 L1060 C1064 T1065 Q1066L1024-Y1062 HydrophobicContact CB-CD2 3.59Å; L1024-Y1062 HydrophobicContact CB-CE2 3.66Å; L1024-Y1062 HydrophobicContact CB-CG 4.41Å; L1024-Y1062 HydrophobicContact CD1-CD2 4.04Å; L1024-Y1062 HydrophobicContact CD1-CE2 3.92Å; L1024-Y1062 HydrophobicContact CG-CD2 4.38Å; L1024-Y1062 HydrophobicContact CG-CE2 4.45Å; P1025-Y1062 HydrophobicContact CB-CD1 4.43Å; P1025-Y1062 HydrophobicContact CB-CE1 4.15Å; V1028-Y1062 WeakPolarHBondContact CG1-O 3.49Å; Q1058-Y1062 WeakPolarHBondContact O-CD2 3.41Å; Q1058-Y1062 PolarHBondContact O-N 3.41Å; L1059-Y1062 PolarHBondContact O-N 3.4Å; L1060-Y1062 PolarHBondContact O-N 2.82Å; Y1062-C1064 VanDerWaalsContact C-N 3.34Å; Y1062-T1065 PolarHBondContact O-OG1 3.41Å; Y1062-T1065 VanDerWaalsContact O-OG1 3.05Å; Y1062-Q1066 WeakPolarHBondContact O-CB 3.46Å; Y1062-Q1066 PolarHBondContact O-N 3.2Å
1063L92.1Very high91.8Very high0 Ų036.2 Ų36.20%020%0.195CC..Hα-helixtrans-67.7-31.7174.7-72.1170000112.8V1028 I1034 C1037 L1038 I1041 L1059 L1060 Y1067V1028-L1063 HydrophobicContact CG1-CD2 4.12Å; V1028-L1063 HydrophobicContact CG2-CD2 4.28Å; V1028-L1063 HydrophobicContact CG2-CG 4.4Å; I1034-L1063 HydrophobicContact CG2-CD2 4.01Å; C1037-L1063 HydrophobicContact CB-CD1 3.94Å; L1038-L1063 HydrophobicContact CD2-CB 4.19Å; L1038-L1063 HydrophobicContact CD2-CD1 4.13Å; L1038-L1063 HydrophobicContact CG-CD1 4.45Å; I1041-L1063 HydrophobicContact CD1-CD1 3.53Å; L1059-L1063 HydrophobicContact CD1-CD1 4.25Å; L1059-L1063 HydrophobicContact CD1-CG 4.48Å; L1059-L1063 HydrophobicContact CD2-CD1 4.49Å; L1059-L1063 HydrophobicContact CG-CD1 3.88Å; L1059-L1063 HydrophobicContact CG-CG 4.49Å; L1059-L1063 WeakPolarHBondContact O-CB 3.49Å; L1059-L1063 VanDerWaalsContact O-CG 3.3Å; L1059-L1063 WeakPolarHBondContact O-CG 3.39Å; L1059-L1063 PolarHBondContact O-N 3.07Å; L1060-L1063 CarbonylContact O-C 3.48Å; L1060-L1063 PolarHBondContact O-N 3.01Å; L1063-Y1067 HydrophobicContact CD2-CD2 3.8Å; L1063-Y1067 HydrophobicContact CD2-CE2 3.87Å; L1063-Y1067 WeakPolarHBondContact O-CA 3.3Å; L1063-Y1067 WeakPolarHBondContact O-CB 3.45Å; L1063-Y1067 PolarHBondContact O-N 3.4Å
1064C92Very high91.9Very high0 Ų038.7 Ų38.70%021%0.214CC..Hα-helixtrans-67.7-44.4175.9-70.60000111.5L1060 S1061 Y1062 S1072 F1109 A1112 F1113L1060-C1064 WeakPolarHBondContact O-CB 3.43Å; L1060-C1064 PolarHBondContact O-N 2.62Å; L1060-C1064 PolarHBondContact O-SG 3.34Å; S1061-C1064 PolarHBondContact O-N 2.84Å; Y1062-C1064 VanDerWaalsContact C-N 3.34Å; C1064-S1072 PolarHBondContact SG-OG 2.96Å; C1064-S1072 VanDerWaalsContact SG-OG 3.39Å; C1064-F1109 HydrophobicContact CB-CD1 4.05Å; C1064-F1109 HydrophobicContact CB-CE1 4.4Å; C1064-A1112 HydrophobicContact CB-CB 3.96Å; C1064-A1112 WeakPolarHBondContact O-CB 3.11Å; C1064-F1113 HydrophobicContact CB-CD2 4.39Å; C1064-F1113 HydrophobicContact CB-CE2 3.82Å
1065T88.9Confident92Very high69 Ų6938 Ų3842%0.42321%0.212SC..Hα-helixtrans-70.6-34.3178.251.30000112.8S1061 Y1062 A1108 A1112S1061-T1065 PolarHBondContact O-N 3.11Å; S1061-T1065 PolarHBondContact O-OG1 3.28Å; Y1062-T1065 PolarHBondContact O-OG1 3.41Å; Y1062-T1065 VanDerWaalsContact O-OG1 3.05Å; T1065-A1108 HydrophobicContact CG2-CB 3.89Å; T1065-A1112 HydrophobicContact CG2-CB 4.32Å
1066Q89.8Confident92Very high101 Ų10137.3 Ų37.347%0.47221%0.208SC..Hα-helixtrans-81.4-33.3176.9-1706812.600113.6V1028 Y1062V1028-Q1066 HydrophobicContact CG1-CB 3.66Å; V1028-Q1066 HydrophobicContact CG1-CG 3.98Å; Y1062-Q1066 WeakPolarHBondContact O-CB 3.46Å; Y1062-Q1066 PolarHBondContact O-N 3.2Å
1067Y89.8Confident92Very high46 Ų4642.4 Ų42.418%0.1823%0.228CC..  trans-131.682.2-172.9-54.8-81000111.7V1028 I1034 H1035 L1063 L1069 S1072V1028-Y1067 HydrophobicContact CG1-CE2 4.34Å; I1034-Y1067 HydrophobicContact CG2-CE2 4Å; H1035-Y1067 HydrophobicContact CB-CD1 4.22Å; H1035-Y1067 HydrophobicContact CB-CD2 4.34Å; H1035-Y1067 HydrophobicContact CB-CE1 4.16Å; H1035-Y1067 HydrophobicContact CB-CE2 4.3Å; H1035-Y1067 HydrophobicContact CB-CG 4.31Å; L1063-Y1067 HydrophobicContact CD2-CD2 3.8Å; L1063-Y1067 HydrophobicContact CD2-CE2 3.87Å; L1063-Y1067 WeakPolarHBondContact O-CA 3.3Å; L1063-Y1067 WeakPolarHBondContact O-CB 3.45Å; L1063-Y1067 PolarHBondContact O-N 3.4Å; Y1067-L1069 PolarHBondContact O-N 2.98Å; Y1067-S1072 VanDerWaalsContact O-CB 3.3Å; Y1067-S1072 WeakPolarHBondContact O-CB 3.49Å; Y1067-S1072 PolarHBondContact O-OG 3.23Å
1068A87.3Confident92Very high74 Ų7446.1 Ų46.161%0.61225%0.247SC*.  trans-70.267.8176.900000113F1113A1068-F1113 HydrophobicContact CB-CE1 4.3Å
1069L91.3Very high92.1Very high82 Ų8245.6 Ų45.643%0.42925%0.245SC..  trans-106.4149.9-176.1-60.8175.7000112.1L1038 Y1067 K1071 S1072 L1073L1038-L1069 HydrophobicContact CD1-CD1 4.44Å; Y1067-L1069 PolarHBondContact O-N 2.98Å; L1069-K1071 PolarHBondContact O-N 2.68Å; L1069-S1072 WeakPolarHBondContact O-CA 3.28Å; L1069-S1072 VanDerWaalsContact O-CB 3.27Å; L1069-S1072 WeakPolarHBondContact O-CB 3.5Å; L1069-S1072 PolarHBondContact O-N 3.35Å; L1069-L1073 PolarHBondContact O-N 2.98Å
1070P90.7Very high92.1Very high109 Ų10946 Ų4671%0.70825%0.247SC*.Hα-helixtrans-57.4-31.6174.9-26.635.3000114.3S1074P1070-S1074 PolarHBondContact O-N 3.41Å; P1070-S1074 VanDerWaalsContact O-N 3.12Å
1071K91.4Very high92.1Very high92 Ų9249.1 Ų49.140%0.427%0.268SS..Hα-helixtrans-68.7-40.8172.1-170.5179.5-171.3175.80111.9D1039 L1069 S1074 V1075D1039-K1071 IonicContact OD1-NZ 3.94Å; D1039-K1071 PolarHBondContact OD1-NZ 3.29Å; D1039-K1071 IonicContact OD2-NZ 3.65Å; D1039-K1071 PolarHBondContact OD2-NZ 3.22Å; L1069-K1071 PolarHBondContact O-N 2.68Å; K1071-S1074 PolarHBondContact O-N 3.36Å; K1071-S1074 PolarHBondContact O-OG 2.67Å; K1071-V1075 VanDerWaalsContact O-CG2 3.31Å; K1071-V1075 WeakPolarHBondContact O-CG2 3.37Å; K1071-V1075 PolarHBondContact O-N 3.18Å
1072S92Very high92.1Very high0 Ų050.5 Ų50.50%028%0.276CS..Hα-helixtrans-62.5-44.9176.3-171.20000110.6C1064 Y1067 L1069 S1074 V1075 A1076C1064-S1072 PolarHBondContact SG-OG 2.96Å; C1064-S1072 VanDerWaalsContact SG-OG 3.39Å; Y1067-S1072 VanDerWaalsContact O-CB 3.3Å; Y1067-S1072 WeakPolarHBondContact O-CB 3.49Å; Y1067-S1072 PolarHBondContact O-OG 3.23Å; L1069-S1072 WeakPolarHBondContact O-CA 3.28Å; L1069-S1072 VanDerWaalsContact O-CB 3.27Å; L1069-S1072 WeakPolarHBondContact O-CB 3.5Å; L1069-S1072 PolarHBondContact O-N 3.35Å; S1072-S1074 PolarHBondContact O-N 3.34Å; S1072-V1075 PolarHBondContact O-N 3.35Å; S1072-A1076 WeakPolarHBondContact O-CB 3.46Å; S1072-A1076 PolarHBondContact O-N 2.96Å
1073L92.4Very high92.2Very high42 Ų4247.1 Ų47.122%0.2226%0.263CS..Hα-helixtrans-57.2-44.3172.3173.462.4000113.2L1069 A1076 R1077 F1113 L1116L1069-L1073 PolarHBondContact O-N 2.98Å; L1073-A1076 PolarHBondContact O-N 3.1Å; L1073-R1077 PolarHBondContact O-N 2.84Å; L1073-F1113 HydrophobicContact CB-CD1 4.12Å; L1073-F1113 HydrophobicContact CB-CD2 4.29Å; L1073-F1113 HydrophobicContact CB-CE1 3.96Å; L1073-F1113 HydrophobicContact CB-CE2 4.12Å; L1073-F1113 HydrophobicContact CB-CG 4.31Å; L1073-F1113 HydrophobicContact CB-CZ 3.97Å; L1073-F1113 HydrophobicContact CD1-CB 3.81Å; L1073-F1113 HydrophobicContact CD1-CD1 4.09Å; L1073-F1113 HydrophobicContact CD1-CD2 4.05Å; L1073-F1113 HydrophobicContact CD1-CG 3.72Å; L1073-L1116 HydrophobicContact CD1-CD1 4.08Å; L1073-L1116 HydrophobicContact CD1-CD2 3.9Å; L1073-L1116 HydrophobicContact CD1-CG 3.92Å
1074S94.1Very high92.1Very high70 Ų7047.9 Ų47.949%0.4927%0.271SS..Hα-helixtrans-68.9-36.2-179.968.90000112.6P1070 K1071 S1072 L1078P1070-S1074 PolarHBondContact O-N 3.41Å; P1070-S1074 VanDerWaalsContact O-N 3.12Å; K1071-S1074 PolarHBondContact O-N 3.36Å; K1071-S1074 PolarHBondContact O-OG 2.67Å; S1072-S1074 PolarHBondContact O-N 3.34Å; S1074-L1078 PolarHBondContact O-N 3.24Å; S1074-L1078 VanDerWaalsContact O-N 3.11Å
1075V94.4Very high92.1Very high10 Ų1052 Ų526%0.06130%0.296CS..Hα-helixtrans-72.6-34.7174.9-178.60000111.3I1041 P1042 L1060 K1071 S1072 L1078 A1079I1041-V1075 HydrophobicContact CB-CG1 4.28Å; I1041-V1075 HydrophobicContact CG2-CG1 3.59Å; P1042-V1075 HydrophobicContact CG-CG1 4.23Å; P1042-V1075 HydrophobicContact CG-CG2 4.21Å; L1060-V1075 HydrophobicContact CD1-CB 4.18Å; L1060-V1075 HydrophobicContact CD1-CG1 3.74Å; L1060-V1075 HydrophobicContact CD2-CG1 3.83Å; L1060-V1075 HydrophobicContact CG-CG1 4.45Å; K1071-V1075 VanDerWaalsContact O-CG2 3.31Å; K1071-V1075 WeakPolarHBondContact O-CG2 3.37Å; K1071-V1075 PolarHBondContact O-N 3.18Å; S1072-V1075 PolarHBondContact O-N 3.35Å; V1075-L1078 WeakPolarHBondContact O-CB 3.18Å; V1075-L1078 PolarHBondContact O-N 2.92Å; V1075-A1079 PolarHBondContact O-N 2.95Å
1076A94.1Very high92.2Very high0 Ų049.9 Ų49.90%028%0.282CS..Hα-helixtrans-62-46.5172.600000112.3S1072 L1073 L1078 A1079 I1080 F1109 F1113 L1116S1072-A1076 WeakPolarHBondContact O-CB 3.46Å; S1072-A1076 PolarHBondContact O-N 2.96Å; L1073-A1076 PolarHBondContact O-N 3.1Å; A1076-L1078 VanDerWaalsContact C-N 3.31Å; A1076-L1078 PolarHBondContact O-N 3.47Å; A1076-A1079 PolarHBondContact O-N 3.17Å; A1076-I1080 WeakPolarHBondContact O-CG1 3.25Å; A1076-I1080 PolarHBondContact O-N 3.48Å; A1076-F1109 HydrophobicContact CB-CD1 4.22Å; A1076-F1109 HydrophobicContact CB-CE1 4.38Å; A1076-F1113 HydrophobicContact CB-CD2 4.25Å; A1076-F1113 HydrophobicContact CB-CE2 4.38Å; A1076-L1116 HydrophobicContact CB-CD1 3.87Å
1077R94.2Very high92.2Very high107 Ų10745.5 Ų45.540%0.40426%0.262SS..Hα-helixtrans-62.3-37.4173.9-178.6172.1-78139.5-0.2112.4L1073 S1081 P1115 L1116 D1119L1073-R1077 PolarHBondContact O-N 2.84Å; R1077-S1081 WeakPolarHBondContact O-CB 3.46Å; R1077-S1081 PolarHBondContact O-N 3.29Å; R1077-S1081 PolarHBondContact O-OG 3.25Å; R1077-P1115 PolarHBondContact NH2-O 3.26Å; R1077-L1116 HydrophobicContact CB-CD2 4.07Å; R1077-D1119 IonicContact CZ-OD2 3.3Å; R1077-D1119 IonicContact NE-OD2 3.99Å; R1077-D1119 PolarHBondContact NE-OD2 3.2Å; R1077-D1119 IonicContact NH2-OD2 2.67Å; R1077-D1119 PolarHBondContact NH2-OD2 2.98Å
1078L94.3Very high92.2Very high78 Ų7848.7 Ų48.741%0.40829%0.286SS..Hα-helixtrans-62.1-45.3172.9178.162.8000111.4P1042 S1074 V1075 A1076 I1080 S1081 V1082P1042-L1078 HydrophobicContact CB-CD2 3.97Å; P1042-L1078 HydrophobicContact CG-CD2 4.21Å; S1074-L1078 PolarHBondContact O-N 3.24Å; S1074-L1078 VanDerWaalsContact O-N 3.11Å; V1075-L1078 WeakPolarHBondContact O-CB 3.18Å; V1075-L1078 PolarHBondContact O-N 2.92Å; A1076-L1078 VanDerWaalsContact C-N 3.31Å; A1076-L1078 PolarHBondContact O-N 3.47Å; L1078-I1080 PolarHBondContact O-N 3Å; L1078-S1081 WeakPolarHBondContact O-CB 3.46Å; L1078-S1081 PolarHBondContact O-N 3.35Å; L1078-V1082 HydrophobicContact CD1-CG2 4.31Å; L1078-V1082 WeakPolarHBondContact O-CG2 3.44Å; L1078-V1082 PolarHBondContact O-N 3.07Å
1079A94.3Very high92.3Very high0 Ų050.3 Ų50.30%029%0.288CS..Hα-helixtrans-60.7-45.2177.500000112.3L1045 L1060 V1075 A1076 S1081 V1082 M1083L1045-A1079 HydrophobicContact CD1-CB 4.07Å; L1060-A1079 HydrophobicContact CD2-CB 3.6Å; V1075-A1079 PolarHBondContact O-N 2.95Å; A1076-A1079 PolarHBondContact O-N 3.17Å; A1079-S1081 VanDerWaalsContact C-N 3.31Å; A1079-S1081 PolarHBondContact O-N 2.93Å; A1079-V1082 PolarHBondContact O-N 3.49Å; A1079-M1083 VanDerWaalsContact O-CG 3.31Å; A1079-M1083 WeakPolarHBondContact O-CG 3.27Å; A1079-M1083 PolarHBondContact O-N 3.49Å
1080I93.6Very high92.3Very high9 Ų947.5 Ų47.55%0.04627%0.274CS..Hα-helixtrans-58.6-43.4174.6-66.4160.8000110.9A1076 L1078 V1082 M1083 G1084 L1106 F1109 L1116 D1119 V1120 L1123A1076-I1080 WeakPolarHBondContact O-CG1 3.25Å; A1076-I1080 PolarHBondContact O-N 3.48Å; L1078-I1080 PolarHBondContact O-N 3Å; I1080-V1082 PolarHBondContact O-N 3.08Å; I1080-M1083 PolarHBondContact O-N 2.71Å; I1080-G1084 PolarHBondContact O-N 2.93Å; I1080-L1106 HydrophobicContact CG1-CD2 4.2Å; I1080-F1109 HydrophobicContact CD1-CD2 4.31Å; I1080-F1109 HydrophobicContact CG1-CD2 4.18Å; I1080-L1116 HydrophobicContact CD1-CB 4.27Å; I1080-L1116 HydrophobicContact CD1-CD1 3.9Å; I1080-L1116 HydrophobicContact CD1-CD2 4.35Å; I1080-L1116 HydrophobicContact CD1-CG 4.41Å; I1080-D1119 HydrophobicContact CG2-CB 4.35Å; I1080-V1120 HydrophobicContact CD1-CG2 3.65Å; I1080-V1120 HydrophobicContact CG1-CG2 4.27Å; I1080-L1123 HydrophobicContact CG2-CD2 4.05Å
1081S93.6Very high92.2Very high64 Ų6446.8 Ų46.845%0.44826%0.264SS..Hα-helixtrans-64.7-38.6177.7-55.20000112.5R1077 L1078 A1079 T1085R1077-S1081 WeakPolarHBondContact O-CB 3.46Å; R1077-S1081 PolarHBondContact O-N 3.29Å; R1077-S1081 PolarHBondContact O-OG 3.25Å; L1078-S1081 WeakPolarHBondContact O-CB 3.46Å; L1078-S1081 PolarHBondContact O-N 3.35Å; A1079-S1081 VanDerWaalsContact C-N 3.31Å; A1079-S1081 PolarHBondContact O-N 2.93Å; S1081-T1085 PolarHBondContact O-N 3.03Å; S1081-T1085 PolarHBondContact O-OG1 3.09Å
1082V92.6Very high91.8Very high37 Ų3745.3 Ų45.322%0.22426%0.256CS..Hα-helixtrans-67.2-43.4174.4169.20000110.9L1078 A1079 I1080 G1084 T1085 L1086L1078-V1082 HydrophobicContact CD1-CG2 4.31Å; L1078-V1082 WeakPolarHBondContact O-CG2 3.44Å; L1078-V1082 PolarHBondContact O-N 3.07Å; A1079-V1082 PolarHBondContact O-N 3.49Å; I1080-V1082 PolarHBondContact O-N 3.08Å; V1082-G1084 PolarHBondContact O-N 3.39Å; V1082-T1085 PolarHBondContact O-N 3.25Å; V1082-L1086 HydrophobicContact CG1-CD1 3.74Å; V1082-L1086 HydrophobicContact CG1-CG 4.29Å; V1082-L1086 WeakPolarHBondContact O-CB 3.36Å; V1082-L1086 VanDerWaalsContact O-CG 3.3Å; V1082-L1086 WeakPolarHBondContact O-CG 3.31Å; V1082-L1086 PolarHBondContact O-N 3.12Å
1083M92.5Very high91.4Very high0 Ų048.7 Ų48.70%028%0.284CS..Hα-helixtrans-59.4-46.5175.2-70.3173.669.800111.8I1057 A1079 I1080 T1085 L1086 L1087 F1098 F1099 L1106 L1123I1057-M1083 HydrophobicContact CD1-CG 3.65Å; I1057-M1083 HydrophobicContact CD1-SD 3.86Å; I1057-M1083 HydrophobicContact CG1-SD 4.37Å; I1057-M1083 HydrophobicContact CG2-SD 4.1Å; A1079-M1083 VanDerWaalsContact O-CG 3.31Å; A1079-M1083 WeakPolarHBondContact O-CG 3.27Å; A1079-M1083 PolarHBondContact O-N 3.49Å; I1080-M1083 PolarHBondContact O-N 2.71Å; M1083-T1085 VanDerWaalsContact C-N 3.33Å; M1083-T1085 PolarHBondContact O-N 3.14Å; M1083-L1086 PolarHBondContact O-N 2.8Å; M1083-L1087 PolarHBondContact O-N 3.28Å; M1083-F1098 HydrophobicContact CB-CE1 4.37Å; M1083-F1098 HydrophobicContact CG-CE1 3.96Å; M1083-F1098 HydrophobicContact CG-CZ 4Å; M1083-F1099 HydrophobicContact CB-CE1 4.42Å; M1083-F1099 HydrophobicContact CE-CD1 4.34Å; M1083-F1099 HydrophobicContact CE-CE1 4.11Å; M1083-L1106 HydrophobicContact CE-CD1 4.19Å; M1083-L1106 HydrophobicContact CE-CD2 3.88Å; M1083-L1106 HydrophobicContact CE-CG 4.16Å; M1083-L1106 HydrophobicContact SD-CD2 3.9Å; M1083-L1123 HydrophobicContact CB-CD2 3.93Å; M1083-L1123 HydrophobicContact CE-CD2 4.45Å
1084G91.8Very high91.2Very high16 Ų1651.8 Ų51.817%0.16530%0.295CS..Hα-helixtrans-62-37.8175.400000113.3I1080 V1082 L1087I1080-G1084 PolarHBondContact O-N 2.93Å; V1082-G1084 PolarHBondContact O-N 3.39Å; G1084-L1087 WeakPolarHBondContact O-CB 3.34Å
1085T91.1Very high90.9Very high86 Ų8650.7 Ų50.753%0.52828%0.28SS..Hα-helixtrans-65-48.4174.1-55.30000111S1081 V1082 M1083 L1087 T1088S1081-T1085 PolarHBondContact O-N 3.03Å; S1081-T1085 PolarHBondContact O-OG1 3.09Å; V1082-T1085 PolarHBondContact O-N 3.25Å; M1083-T1085 VanDerWaalsContact C-N 3.33Å; M1083-T1085 PolarHBondContact O-N 3.14Å; T1085-L1087 VanDerWaalsContact C-N 3.28Å; T1085-L1087 PolarHBondContact O-N 2.96Å; T1085-T1088 PolarHBondContact O-N 3.41Å; T1085-T1088 VanDerWaalsContact O-N 3.12Å; T1085-T1088 PolarHBondContact O-OG1 2.96Å
1086L91.2Very high90.6Very high24 Ų2452.7 Ų52.713%0.12629%0.289CS..Hα-helixtrans-62.2-31.2-179.5-73.1168.9000113.2Q1053 V1082 M1083 T1088 V1089 L1090 F1098Q1053-L1086 VanDerWaalsContact OE1-CD1 3.29Å; V1082-L1086 HydrophobicContact CG1-CD1 3.74Å; V1082-L1086 HydrophobicContact CG1-CG 4.29Å; V1082-L1086 WeakPolarHBondContact O-CB 3.36Å; V1082-L1086 VanDerWaalsContact O-CG 3.3Å; V1082-L1086 WeakPolarHBondContact O-CG 3.31Å; V1082-L1086 PolarHBondContact O-N 3.12Å; M1083-L1086 PolarHBondContact O-N 2.8Å; L1086-T1088 PolarHBondContact O-N 2.88Å; L1086-V1089 PolarHBondContact O-N 3.34Å; L1086-V1089 VanDerWaalsContact O-N 3.15Å; L1086-L1090 HydrophobicContact CB-CD1 4.07Å; L1086-L1090 HydrophobicContact CB-CG 4.31Å; L1086-L1090 HydrophobicContact CD2-CD1 4.48Å; L1086-L1090 HydrophobicContact CD2-CD2 4.46Å; L1086-L1090 HydrophobicContact CD2-CG 4.35Å; L1086-L1090 WeakPolarHBondContact O-CB 3.4Å; L1086-L1090 VanDerWaalsContact O-CG 3.28Å; L1086-L1090 WeakPolarHBondContact O-CG 3.21Å; L1086-L1090 PolarHBondContact O-N 2.91Å; L1086-F1098 HydrophobicContact CD1-CE1 4.22Å; L1086-F1098 HydrophobicContact CD1-CE2 3.79Å; L1086-F1098 HydrophobicContact CD1-CZ 3.52Å
1087L90.6Very high90.3Very high9 Ų955.4 Ų55.45%0.04731%0.307CS..Hα-helixtrans-52.7-37.4173.5-176.962.7000112.4M1083 G1084 T1085 R1095 F1099 Q1126 V1127 V1130M1083-L1087 PolarHBondContact O-N 3.28Å; G1084-L1087 WeakPolarHBondContact O-CB 3.34Å; T1085-L1087 VanDerWaalsContact C-N 3.28Å; T1085-L1087 PolarHBondContact O-N 2.96Å; L1087-R1095 WeakPolarHBondContact O-CD 3.33Å; L1087-F1099 HydrophobicContact CB-CE2 4.13Å; L1087-F1099 HydrophobicContact CB-CZ 3.91Å; L1087-F1099 HydrophobicContact CD1-CD2 4.38Å; L1087-F1099 HydrophobicContact CD1-CE2 3.69Å; L1087-F1099 HydrophobicContact CD1-CZ 4Å; L1087-F1099 HydrophobicContact CG-CZ 4.49Å; L1087-Q1126 HydrophobicContact CD2-CB 3.83Å; L1087-V1127 HydrophobicContact CD1-CG2 4.09Å; L1087-V1127 HydrophobicContact CD2-CG2 3.87Å; L1087-V1130 HydrophobicContact CD1-CB 4.37Å; L1087-V1130 HydrophobicContact CD1-CG1 4.39Å; L1087-V1130 HydrophobicContact CD1-CG2 4.28Å; L1087-V1130 HydrophobicContact CD2-CG2 4.29Å; L1087-V1130 HydrophobicContact CG-CG2 4.28Å
1088T88.6Confident90.2Very high114 Ų11450.3 Ų50.370%0.69929%0.288SS*.Hα-helixtrans-82.8-28-17969.70000113.7T1085 L1086T1085-T1088 PolarHBondContact O-N 3.41Å; T1085-T1088 VanDerWaalsContact O-N 3.12Å; T1085-T1088 PolarHBondContact O-OG1 2.96Å; L1086-T1088 PolarHBondContact O-N 2.88Å
1089V90.1Very high90.1Very high108 Ų10846.6 Ų46.666%0.65527%0.269SS*.Hα-helixtrans-93.7-28.6-172.8-178.80000112.6L1086L1086-V1089 PolarHBondContact O-N 3.34Å; L1086-V1089 VanDerWaalsContact O-N 3.15Å
1090L90.3Very high89.8Confident23 Ų2349.2 Ų49.212%0.1228%0.282CS..SBendtrans-80.5144.5-176.9-64.6-179.7000112.8L1050 L1086 K1094 R1095 F1098L1050-L1090 HydrophobicContact CD1-CD2 4.5Å; L1050-L1090 HydrophobicContact CD2-CD1 3.99Å; L1050-L1090 HydrophobicContact CD2-CD2 3.92Å; L1086-L1090 HydrophobicContact CB-CD1 4.07Å; L1086-L1090 HydrophobicContact CB-CG 4.31Å; L1086-L1090 HydrophobicContact CD2-CD1 4.48Å; L1086-L1090 HydrophobicContact CD2-CD2 4.46Å; L1086-L1090 HydrophobicContact CD2-CG 4.35Å; L1086-L1090 WeakPolarHBondContact O-CB 3.4Å; L1086-L1090 VanDerWaalsContact O-CG 3.28Å; L1086-L1090 WeakPolarHBondContact O-CG 3.21Å; L1086-L1090 PolarHBondContact O-N 2.91Å; L1090-K1094 HydrophobicContact CB-CB 4.21Å; L1090-K1094 HydrophobicContact CD2-CB 4.24Å; L1090-K1094 HydrophobicContact CD2-CD 4.44Å; L1090-R1095 HydrophobicContact CB-CG 3.66Å; L1090-R1095 PolarHBondContact O-NE 2.74Å; L1090-F1098 HydrophobicContact CD1-CB 4.1Å; L1090-F1098 HydrophobicContact CD1-CD1 4.47Å; L1090-F1098 HydrophobicContact CD1-CG 4.13Å
1091N88.1Confident89.6Confident93 Ų9350.5 Ų50.550%0.49729%0.291SS..  trans-75.5164.1170.976.516.8000111.3A1093 K1094 R1095N1091-A1093 VanDerWaalsContact C-N 3.35Å; N1091-A1093 PolarHBondContact O-N 3.27Å; N1091-K1094 PolarHBondContact O-N 3.31Å; N1091-K1094 VanDerWaalsContact O-N 3.08Å; N1091-K1094 WeakPolarHBondContact OD1-CB 3.43Å; N1091-K1094 WeakPolarHBondContact OD1-CG 3.37Å; N1091-K1094 PolarHBondContact OD1-N 3Å; N1091-R1095 PolarHBondContact O-N 3.48Å
1092R83.3Confident89.4Confident62 Ų6247.5 Ų47.523%0.23427%0.269CS..Hα-helixtrans-52.5-46.2-172.4-158.2-173.698.9163.914.5114.1R1095 F1096 D1134 D1183 D1185R1092-R1095 PolarHBondContact O-N 3.43Å; R1092-F1096 PolarHBondContact O-N 3.11Å; R1092-D1134 VanDerWaalsContact CD-OD1 3.26Å; R1092-D1134 WeakPolarHBondContact CD-OD1 3.44Å; R1092-D1183 IonicContact NH2-OD1 2.69Å; R1092-D1183 IonicContact NH2-OD2 2.87Å; R1092-D1185 IonicContact CZ-OD1 2.75Å; R1092-D1185 IonicContact CZ-OD2 3.71Å; R1092-D1185 IonicContact NE-OD1 3.43Å; R1092-D1185 PolarHBondContact NE-OD1 3.46Å; R1092-D1185 IonicContact NE-OD2 3.55Å; R1092-D1185 IonicContact NH1-OD1 2.76Å; R1092-D1185 IonicContact NH1-OD2 3.53Å; R1092-D1185 PolarHBondContact NH1-OD2 3.47Å; R1092-D1185 IonicContact NH2-OD1 3.62Å; R1092-D1185 PolarHBondContact NH2-OD1 3Å; R1092-D1185 IonicContact NH2-OD2 3.88Å; R1092-D1185 PolarHBondContact NH2-OD2 2.94Å
1093A84.5Confident89.2Confident71 Ų7145.7 Ų45.759%0.58726%0.259SS*.Hα-helixtrans-64.8-42.817900000112.3N1091 F1096 S1097N1091-A1093 VanDerWaalsContact C-N 3.35Å; N1091-A1093 PolarHBondContact O-N 3.27Å; A1093-F1096 PolarHBondContact O-N 3.46Å; A1093-S1097 PolarHBondContact O-N 3.15Å; A1093-S1097 PolarHBondContact O-OG 3.45Å
1094K87.1Confident89Confident107 Ų10748.8 Ų48.847%0.46528%0.279SS..Hα-helixtrans-69.3-33176.3-74.4-178.5168.8-167.80112.9L1050 L1090 N1091 S1097 F1098L1050-K1094 HydrophobicContact CD1-CB 3.83Å; L1050-K1094 HydrophobicContact CD1-CD 3.94Å; L1050-K1094 HydrophobicContact CD1-CG 3.78Å; L1090-K1094 HydrophobicContact CB-CB 4.21Å; L1090-K1094 HydrophobicContact CD2-CB 4.24Å; L1090-K1094 HydrophobicContact CD2-CD 4.44Å; N1091-K1094 PolarHBondContact O-N 3.31Å; N1091-K1094 VanDerWaalsContact O-N 3.08Å; N1091-K1094 WeakPolarHBondContact OD1-CB 3.43Å; N1091-K1094 WeakPolarHBondContact OD1-CG 3.37Å; N1091-K1094 PolarHBondContact OD1-N 3Å; K1094-S1097 WeakPolarHBondContact CA-OG 3.39Å; K1094-S1097 PolarHBondContact O-OG 3.01Å; K1094-F1098 WeakPolarHBondContact O-CB 3.44Å; K1094-F1098 PolarHBondContact O-N 3.04Å
1095R88.8Confident88.9Confident46 Ų4648.4 Ų48.417%0.17427%0.273CS..Hα-helixtrans-61.7-47.7171.8-77.7-172.3-103.8122.7-13.3111L1087 L1090 N1091 R1092 F1098 F1099 D1134L1087-R1095 WeakPolarHBondContact O-CD 3.33Å; L1090-R1095 HydrophobicContact CB-CG 3.66Å; L1090-R1095 PolarHBondContact O-NE 2.74Å; N1091-R1095 PolarHBondContact O-N 3.48Å; R1092-R1095 PolarHBondContact O-N 3.43Å; R1095-F1098 PolarHBondContact O-N 3.28Å; R1095-F1099 HydrophobicContact CB-CD2 4.36Å; R1095-F1099 WeakPolarHBondContact O-CB 3.38Å; R1095-F1099 WeakPolarHBondContact O-CD2 3.38Å; R1095-F1099 PolarHBondContact O-N 3.36Å; R1095-D1134 IonicContact CZ-OD2 2.8Å; R1095-D1134 IonicContact NH1-OD2 3.4Å; R1095-D1134 PolarHBondContact NH1-OD2 3.41Å
1096F87.6Confident88.8Confident53 Ų5344.3 Ų44.323%0.23225%0.248CC..Hα-helixtrans-56.5-54175.7176.6-100.9000112.2R1092 A1093 F1098 M1100 P1184 Q1187 L1188R1092-F1096 PolarHBondContact O-N 3.11Å; A1093-F1096 PolarHBondContact O-N 3.46Å; F1096-F1098 PolarHBondContact O-N 2.91Å; F1096-M1100 HydrophobicContact CD2-CG 3.64Å; F1096-M1100 HydrophobicContact CD2-SD 4.28Å; F1096-M1100 HydrophobicContact CE1-CG 4.36Å; F1096-M1100 HydrophobicContact CE2-CE 3.93Å; F1096-M1100 HydrophobicContact CE2-CG 3.37Å; F1096-M1100 HydrophobicContact CE2-SD 3.73Å; F1096-M1100 HydrophobicContact CG-CG 4.25Å; F1096-M1100 HydrophobicContact CZ-CE 4.11Å; F1096-M1100 HydrophobicContact CZ-CG 3.77Å; F1096-M1100 HydrophobicContact CZ-SD 4.39Å; F1096-M1100 WeakPolarHBondContact O-CB 3.14Å; F1096-M1100 VanDerWaalsContact O-CG 3.26Å; F1096-M1100 WeakPolarHBondContact O-CG 3.45Å; F1096-M1100 PolarHBondContact O-N 2.69Å; F1096-M1100 VanDerWaalsContact O-N 3.14Å; F1096-P1184 HydrophobicContact CB-CB 4.44Å; F1096-P1184 HydrophobicContact CD1-CB 3.91Å; F1096-P1184 HydrophobicContact CD2-CB 3.38Å; F1096-P1184 WeakPolarHBondContact CD2-O 3.41Å; F1096-P1184 HydrophobicContact CE1-CB 3.95Å; F1096-P1184 VanDerWaalsContact CE2-CA 3.5Å; F1096-P1184 HydrophobicContact CE2-CB 3.42Å; F1096-P1184 VanDerWaalsContact CE2-CB 3.42Å; F1096-P1184 WeakPolarHBondContact CE2-O 3.43Å; F1096-P1184 HydrophobicContact CG-CB 3.63Å; F1096-P1184 HydrophobicContact CZ-CB 3.71Å; F1096-Q1187 HydrophobicContact CE2-CB 4.13Å; F1096-Q1187 VanDerWaalsContact CZ-OE1 3.3Å; F1096-L1188 HydrophobicContact CD2-CB 4.17Å
1097S88.4Confident88.7Confident56 Ų5643.9 Ų43.939%0.39225%0.247SC..Hα-helixtrans-63.6-25.1-179.458.50000114.1I1054 A1093 K1094 P1101I1054-S1097 WeakPolarHBondContact CD1-O 3.4Å; A1093-S1097 PolarHBondContact O-N 3.15Å; A1093-S1097 PolarHBondContact O-OG 3.45Å; K1094-S1097 WeakPolarHBondContact CA-OG 3.39Å; K1094-S1097 PolarHBondContact O-OG 3.01Å; S1097-P1101 VanDerWaalsContact O-CD 3.27Å; S1097-P1101 WeakPolarHBondContact O-CD 3.12Å; S1097-P1101 WeakPolarHBondContact O-CG 3.47Å
1098F92Very high88.5Confident0 Ų044.1 Ų44.10%025%0.249CC..Hα-helixtrans-86.3-47.4179.2-178.8-92.5000112.7L1050 Q1053 I1054 I1057 M1083 L1086 L1090 K1094 R1095 F1096 P1101 T1102L1050-F1098 HydrophobicContact CD2-CD2 4.17Å; Q1053-F1098 HydrophobicContact CB-CE2 3.95Å; I1054-F1098 HydrophobicContact CD1-CD2 4.36Å; I1054-F1098 HydrophobicContact CG1-CD2 3.77Å; I1054-F1098 HydrophobicContact CG1-CE2 4.26Å; I1054-F1098 HydrophobicContact CG1-CG 4.49Å; I1057-F1098 HydrophobicContact CD1-CE1 4.43Å; I1057-F1098 HydrophobicContact CD1-CE2 4.04Å; I1057-F1098 HydrophobicContact CD1-CZ 3.56Å; M1083-F1098 HydrophobicContact CB-CE1 4.37Å; M1083-F1098 HydrophobicContact CG-CE1 3.96Å; M1083-F1098 HydrophobicContact CG-CZ 4Å; L1086-F1098 HydrophobicContact CD1-CE1 4.22Å; L1086-F1098 HydrophobicContact CD1-CE2 3.79Å; L1086-F1098 HydrophobicContact CD1-CZ 3.52Å; L1090-F1098 HydrophobicContact CD1-CB 4.1Å; L1090-F1098 HydrophobicContact CD1-CD1 4.47Å; L1090-F1098 HydrophobicContact CD1-CG 4.13Å; K1094-F1098 WeakPolarHBondContact O-CB 3.44Å; K1094-F1098 PolarHBondContact O-N 3.04Å; R1095-F1098 PolarHBondContact O-N 3.28Å; F1096-F1098 PolarHBondContact O-N 2.91Å; F1098-P1101 WeakPolarHBondContact O-CD 3.18Å; F1098-T1102 WeakPolarHBondContact O-CB 3.43Å; F1098-T1102 VanDerWaalsContact O-CG2 3.29Å; F1098-T1102 WeakPolarHBondContact O-CG2 3.43Å; F1098-T1102 PolarHBondContact O-OG1 3.25Å
1099F91.6Very high88.7Confident1 Ų138.7 Ų38.70%0.00422%0.216CC..Hα-helixtrans-78.9-34.1-174-78.3-75.2000113.5M1083 L1087 R1095 T1102 L1103 V1127 L1188M1083-F1099 HydrophobicContact CB-CE1 4.42Å; M1083-F1099 HydrophobicContact CE-CD1 4.34Å; M1083-F1099 HydrophobicContact CE-CE1 4.11Å; L1087-F1099 HydrophobicContact CB-CE2 4.13Å; L1087-F1099 HydrophobicContact CB-CZ 3.91Å; L1087-F1099 HydrophobicContact CD1-CD2 4.38Å; L1087-F1099 HydrophobicContact CD1-CE2 3.69Å; L1087-F1099 HydrophobicContact CD1-CZ 4Å; L1087-F1099 HydrophobicContact CG-CZ 4.49Å; R1095-F1099 HydrophobicContact CB-CD2 4.36Å; R1095-F1099 WeakPolarHBondContact O-CB 3.38Å; R1095-F1099 WeakPolarHBondContact O-CD2 3.38Å; R1095-F1099 PolarHBondContact O-N 3.36Å; F1099-T1102 WeakPolarHBondContact CA-OG1 3.37Å; F1099-T1102 PolarHBondContact O-N 3.34Å; F1099-T1102 VanDerWaalsContact O-N 3.16Å; F1099-L1103 HydrophobicContact CB-CD1 4.06Å; F1099-L1103 HydrophobicContact CB-CG 4.13Å; F1099-L1103 HydrophobicContact CD1-CD2 4.11Å; F1099-L1103 HydrophobicContact CD1-CG 4.19Å; F1099-L1103 WeakPolarHBondContact O-CB 3.31Å; F1099-L1103 WeakPolarHBondContact O-CG 3.19Å; F1099-L1103 PolarHBondContact O-N 3.28Å; F1099-V1127 HydrophobicContact CD1-CG2 4.07Å; F1099-V1127 HydrophobicContact CE1-CG2 3.79Å; F1099-V1127 HydrophobicContact CZ-CG2 4.2Å; F1099-L1188 HydrophobicContact CB-CD1 3.85Å
1100M89.6Confident88.6Confident55 Ų5533.6 Ų33.627%0.27119%0.185SC..Hα-helixtrans-52.4-49.1177-72.4-67.4-79.700113.8F1096 P1104 Q1187 L1188 C1191F1096-M1100 HydrophobicContact CD2-CG 3.64Å; F1096-M1100 HydrophobicContact CD2-SD 4.28Å; F1096-M1100 HydrophobicContact CE1-CG 4.36Å; F1096-M1100 HydrophobicContact CE2-CE 3.93Å; F1096-M1100 HydrophobicContact CE2-CG 3.37Å; F1096-M1100 HydrophobicContact CE2-SD 3.73Å; F1096-M1100 HydrophobicContact CG-CG 4.25Å; F1096-M1100 HydrophobicContact CZ-CE 4.11Å; F1096-M1100 HydrophobicContact CZ-CG 3.77Å; F1096-M1100 HydrophobicContact CZ-SD 4.39Å; F1096-M1100 WeakPolarHBondContact O-CB 3.14Å; F1096-M1100 VanDerWaalsContact O-CG 3.26Å; F1096-M1100 WeakPolarHBondContact O-CG 3.45Å; F1096-M1100 PolarHBondContact O-N 2.69Å; F1096-M1100 VanDerWaalsContact O-N 3.14Å; M1100-P1104 WeakPolarHBondContact O-CD 3.35Å; M1100-Q1187 HydrophobicContact CE-CB 3.99Å; M1100-L1188 HydrophobicContact CG-CD1 4.1Å; M1100-L1188 HydrophobicContact SD-CB 4.13Å; M1100-L1188 HydrophobicContact SD-CD1 3.81Å; M1100-C1191 HydrophobicContact SD-CB 3.83Å
1101P87.8Confident88.5Confident36 Ų3637.7 Ų37.723%0.23420%0.204CC..Hα-helixtrans-82.6-13.7177.631.6-36.9000115.3I1054 Q1058 S1097 F1098I1054-P1101 HydrophobicContact CD1-CG 4.14Å; I1054-P1101 HydrophobicContact CG1-CG 4.24Å; I1054-P1101 HydrophobicContact CG2-CB 3.86Å; I1054-P1101 HydrophobicContact CG2-CG 3.61Å; Q1058-P1101 PolarHBondContact NE2-O 3.1Å; S1097-P1101 VanDerWaalsContact O-CD 3.27Å; S1097-P1101 WeakPolarHBondContact O-CD 3.12Å; S1097-P1101 WeakPolarHBondContact O-CG 3.47Å; F1098-P1101 WeakPolarHBondContact O-CD 3.18Å
1102T90.8Very high88.4Confident0 Ų034.3 Ų34.30%019%0.189CC..Hα-helixtrans-105.3-22.2-174.6590000114.5I1054 I1057 F1098 F1099 C1105I1054-T1102 HydrophobicContact CB-CG2 4.26Å; I1054-T1102 HydrophobicContact CG1-CG2 4.08Å; I1054-T1102 HydrophobicContact CG2-CG2 4.1Å; I1057-T1102 HydrophobicContact CB-CG2 4.07Å; I1057-T1102 HydrophobicContact CD1-CG2 3.82Å; I1057-T1102 HydrophobicContact CG2-CG2 3.97Å; F1098-T1102 WeakPolarHBondContact O-CB 3.43Å; F1098-T1102 VanDerWaalsContact O-CG2 3.29Å; F1098-T1102 WeakPolarHBondContact O-CG2 3.43Å; F1098-T1102 PolarHBondContact O-OG1 3.25Å; F1099-T1102 WeakPolarHBondContact CA-OG1 3.37Å; F1099-T1102 PolarHBondContact O-N 3.34Å; F1099-T1102 VanDerWaalsContact O-N 3.16Å; T1102-C1105 VanDerWaalsContact O-CB 3.24Å; T1102-C1105 WeakPolarHBondContact O-CB 3.4Å; T1102-C1105 PolarHBondContact O-N 2.88Å; T1102-C1105 VanDerWaalsContact O-N 3.12Å
1103L88.3Confident88.9Confident0 Ų032.1 Ų32.10%018%0.181CC..Hα-helixtrans-58.6-42.5173.7-72.6167.6000112.8F1099 C1105 L1106 L1124 L1188 C1191 V1192 T1195F1099-L1103 HydrophobicContact CB-CD1 4.06Å; F1099-L1103 HydrophobicContact CB-CG 4.13Å; F1099-L1103 HydrophobicContact CD1-CD2 4.11Å; F1099-L1103 HydrophobicContact CD1-CG 4.19Å; F1099-L1103 WeakPolarHBondContact O-CB 3.31Å; F1099-L1103 WeakPolarHBondContact O-CG 3.19Å; F1099-L1103 PolarHBondContact O-N 3.28Å; L1103-C1105 PolarHBondContact O-N 2.88Å; L1103-L1106 HydrophobicContact CD2-CD1 4.04Å; L1103-L1106 WeakPolarHBondContact O-CB 3.44Å; L1103-L1106 PolarHBondContact O-N 2.96Å; L1103-L1106 VanDerWaalsContact O-N 3.09Å; L1103-L1124 HydrophobicContact CD2-CD2 3.56Å; L1103-L1188 HydrophobicContact CD1-CD1 3.63Å; L1103-C1191 HydrophobicContact CD1-CB 4.41Å; L1103-V1192 HydrophobicContact CD1-CG2 3.6Å; L1103-V1192 HydrophobicContact CD2-CG2 4.47Å; L1103-T1195 HydrophobicContact CB-CG2 4.13Å
1104P87.8Confident89Confident65 Ų6532.4 Ų32.442%0.42218%0.177SC..Hα-helixtrans-61.8-26.2175.1-25.236.3000114.1M1100 L1106 V1107 T1195M1100-P1104 WeakPolarHBondContact O-CD 3.35Å; P1104-L1106 PolarHBondContact O-N 3.37Å; P1104-V1107 WeakPolarHBondContact O-CB 3.26Å; P1104-V1107 WeakPolarHBondContact O-CG2 3.23Å; P1104-V1107 PolarHBondContact O-N 2.96Å; P1104-T1195 HydrophobicContact CG-CG2 4.24Å
1105C89.4Confident89.2Confident8 Ų831.4 Ų31.45%0.05418%0.182CC..Hα-helixtrans-67.5-25.4177.4-59.70000112.2I1057 T1102 L1103 V1107 A1108 F1109I1057-C1105 HydrophobicContact CG2-CB 3.77Å; T1102-C1105 VanDerWaalsContact O-CB 3.24Å; T1102-C1105 WeakPolarHBondContact O-CB 3.4Å; T1102-C1105 PolarHBondContact O-N 2.88Å; T1102-C1105 VanDerWaalsContact O-N 3.12Å; L1103-C1105 PolarHBondContact O-N 2.88Å; C1105-V1107 VanDerWaalsContact C-N 3.29Å; C1105-V1107 PolarHBondContact O-N 2.91Å; C1105-A1108 PolarHBondContact O-N 3.44Å; C1105-F1109 WeakPolarHBondContact O-CG 3.41Å; C1105-F1109 PolarHBondContact O-N 3.42Å; C1105-F1109 VanDerWaalsContact O-N 3.11Å
1106L89.9Confident89.4Confident0 Ų029.2 Ų29.20%017%0.174CC..Hα-helixtrans-67.6-30.7176.2-57.6179.8000111.9I1080 M1083 L1103 P1104 A1108 F1109 C1110 V1120 L1123 L1124I1080-L1106 HydrophobicContact CG1-CD2 4.2Å; M1083-L1106 HydrophobicContact CE-CD1 4.19Å; M1083-L1106 HydrophobicContact CE-CD2 3.88Å; M1083-L1106 HydrophobicContact CE-CG 4.16Å; M1083-L1106 HydrophobicContact SD-CD2 3.9Å; L1103-L1106 HydrophobicContact CD2-CD1 4.04Å; L1103-L1106 WeakPolarHBondContact O-CB 3.44Å; L1103-L1106 PolarHBondContact O-N 2.96Å; L1103-L1106 VanDerWaalsContact O-N 3.09Å; P1104-L1106 PolarHBondContact O-N 3.37Å; L1106-A1108 VanDerWaalsContact C-N 3.35Å; L1106-F1109 HydrophobicContact CD2-CD2 3.88Å; L1106-F1109 HydrophobicContact CD2-CE2 4.22Å; L1106-F1109 PolarHBondContact O-N 2.97Å; L1106-C1110 WeakPolarHBondContact O-CB 3.43Å; L1106-C1110 PolarHBondContact O-N 3.5Å; L1106-V1120 HydrophobicContact CB-CG1 3.93Å; L1106-V1120 HydrophobicContact CD1-CG1 4.31Å; L1106-L1123 HydrophobicContact CD1-CD2 4.13Å; L1106-L1123 HydrophobicContact CD2-CD2 4.47Å; L1106-L1124 HydrophobicContact CD1-CD2 3.96Å; L1106-L1124 HydrophobicContact CD1-CG 4.32Å
1107V89.1Confident89.5Confident15 Ų1529.9 Ų29.99%0.09118%0.175CC..Hα-helixtrans-61.7-45.9175.2-168.40000110P1104 C1105 C1110 Q1111 T1195 D1198 I1199P1104-V1107 WeakPolarHBondContact O-CB 3.26Å; P1104-V1107 WeakPolarHBondContact O-CG2 3.23Å; P1104-V1107 PolarHBondContact O-N 2.96Å; C1105-V1107 VanDerWaalsContact C-N 3.29Å; C1105-V1107 PolarHBondContact O-N 2.91Å; V1107-C1110 WeakPolarHBondContact O-CB 3.26Å; V1107-C1110 PolarHBondContact O-N 3.41Å; V1107-Q1111 VanDerWaalsContact O-CG 3.31Å; V1107-Q1111 WeakPolarHBondContact O-CG 3.3Å; V1107-Q1111 PolarHBondContact O-N 3.34Å; V1107-T1195 HydrophobicContact CG2-CG2 4.18Å; V1107-D1198 HydrophobicContact CG1-CB 4.15Å; V1107-D1198 HydrophobicContact CG2-CB 4.28Å; V1107-I1199 HydrophobicContact CB-CG1 4.27Å; V1107-I1199 HydrophobicContact CG1-CG1 4.14Å; V1107-I1199 HydrophobicContact CG2-CD1 4.47Å; V1107-I1199 HydrophobicContact CG2-CG1 4.11Å
1108A86.6Confident89.5Confident13 Ų1334 Ų3411%0.10719%0.193CC..Hα-helixtrans-67-37.6177.500000112.9S1061 T1065 C1105 L1106 Q1111 A1112S1061-A1108 VanDerWaalsContact OG-CB 3.23Å; S1061-A1108 WeakPolarHBondContact OG-CB 3.12Å; T1065-A1108 HydrophobicContact CG2-CB 3.89Å; C1105-A1108 PolarHBondContact O-N 3.44Å; L1106-A1108 VanDerWaalsContact C-N 3.35Å; A1108-Q1111 PolarHBondContact O-N 3.43Å; A1108-A1112 WeakPolarHBondContact O-CB 3.39Å; A1108-A1112 PolarHBondContact O-N 3.03Å
1109F90.9Very high89.5Confident0 Ų037 Ų370%021%0.209CC..Hα-helixtrans-61.7-42.4171.7-66.3-27.4000112.3I1057 L1060 S1061 C1064 A1076 I1080 C1105 L1106 F1113 L1116I1057-F1109 HydrophobicContact CG2-CE2 4.36Å; I1057-F1109 HydrophobicContact CG2-CZ 4.33Å; L1060-F1109 HydrophobicContact CB-CE1 4.26Å; L1060-F1109 HydrophobicContact CB-CZ 4.28Å; L1060-F1109 HydrophobicContact CD2-CE1 4.16Å; L1060-F1109 HydrophobicContact CD2-CZ 3.91Å; L1060-F1109 HydrophobicContact CG-CE1 3.82Å; L1060-F1109 HydrophobicContact CG-CZ 4.01Å; S1061-F1109 VanDerWaalsContact CA-CE1 3.49Å; C1064-F1109 HydrophobicContact CB-CD1 4.05Å; C1064-F1109 HydrophobicContact CB-CE1 4.4Å; A1076-F1109 HydrophobicContact CB-CD1 4.22Å; A1076-F1109 HydrophobicContact CB-CE1 4.38Å; I1080-F1109 HydrophobicContact CD1-CD2 4.31Å; I1080-F1109 HydrophobicContact CG1-CD2 4.18Å; C1105-F1109 WeakPolarHBondContact O-CG 3.41Å; C1105-F1109 PolarHBondContact O-N 3.42Å; C1105-F1109 VanDerWaalsContact O-N 3.11Å; L1106-F1109 HydrophobicContact CD2-CD2 3.88Å; L1106-F1109 HydrophobicContact CD2-CE2 4.22Å; L1106-F1109 PolarHBondContact O-N 2.97Å; F1109-F1113 WeakPolarHBondContact O-CA 3.49Å; F1109-F1113 WeakPolarHBondContact O-CB 3.44Å; F1109-F1113 PolarHBondContact O-N 2.93Å; F1109-L1116 HydrophobicContact CB-CD1 4.34Å
1110C89.1Confident89.4Confident1 Ų137 Ų371%0.00721%0.209CC..Hα-helixtrans-64.3-43.5175.6-84.70000112.8L1106 V1107 F1113 Y1117 I1199L1106-C1110 WeakPolarHBondContact O-CB 3.43Å; L1106-C1110 PolarHBondContact O-N 3.5Å; V1107-C1110 WeakPolarHBondContact O-CB 3.26Å; V1107-C1110 PolarHBondContact O-N 3.41Å; C1110-F1113 CarbonylContact O-C 3.56Å; C1110-F1113 PolarHBondContact O-N 2.55Å; C1110-Y1117 HydrophobicContact CB-CD1 3.95Å; C1110-Y1117 HydrophobicContact CB-CE1 3.45Å; C1110-Y1117 VanDerWaalsContact CB-CE1 3.45Å; C1110-Y1117 PolarHBondContact O-OH 3.02Å; C1110-Y1117 WeakPolarHBondContact SG-CD1 3.5Å; C1110-I1199 HydrophobicContact CB-CG1 4.41Å
1111Q87.2Confident89.4Confident109 Ų10936.2 Ų36.251%0.50921%0.211SC..Hα-helixtrans-62.7-43.6176.3-73.1170.5-3.900112.3V1107 A1108V1107-Q1111 VanDerWaalsContact O-CG 3.31Å; V1107-Q1111 WeakPolarHBondContact O-CG 3.3Å; V1107-Q1111 PolarHBondContact O-N 3.34Å; A1108-Q1111 PolarHBondContact O-N 3.43Å
1112A87.7Confident89.6Confident23 Ų2336.8 Ų36.819%0.1922%0.218CC..Hα-helixtrans-72.7-36.1177.900000113.1C1064 T1065 A1108C1064-A1112 HydrophobicContact CB-CB 3.96Å; C1064-A1112 WeakPolarHBondContact O-CB 3.11Å; T1065-A1112 HydrophobicContact CG2-CB 4.32Å; A1108-A1112 WeakPolarHBondContact O-CB 3.39Å; A1108-A1112 PolarHBondContact O-N 3.03Å
1113F92.1Very high89.6Confident15 Ų1537 Ų377%0.06622%0.22CC..  trans-136.988.3-170.5-61.4-50.9000112.9C1064 A1068 L1073 A1076 F1109 C1110 P1115 L1116C1064-F1113 HydrophobicContact CB-CD2 4.39Å; C1064-F1113 HydrophobicContact CB-CE2 3.82Å; A1068-F1113 HydrophobicContact CB-CE1 4.3Å; L1073-F1113 HydrophobicContact CB-CD1 4.12Å; L1073-F1113 HydrophobicContact CB-CD2 4.29Å; L1073-F1113 HydrophobicContact CB-CE1 3.96Å; L1073-F1113 HydrophobicContact CB-CE2 4.12Å; L1073-F1113 HydrophobicContact CB-CG 4.31Å; L1073-F1113 HydrophobicContact CB-CZ 3.97Å; L1073-F1113 HydrophobicContact CD1-CB 3.81Å; L1073-F1113 HydrophobicContact CD1-CD1 4.09Å; L1073-F1113 HydrophobicContact CD1-CD2 4.05Å; L1073-F1113 HydrophobicContact CD1-CG 3.72Å; A1076-F1113 HydrophobicContact CB-CD2 4.25Å; A1076-F1113 HydrophobicContact CB-CE2 4.38Å; F1109-F1113 WeakPolarHBondContact O-CA 3.49Å; F1109-F1113 WeakPolarHBondContact O-CB 3.44Å; F1109-F1113 PolarHBondContact O-N 2.93Å; C1110-F1113 CarbonylContact O-C 3.56Å; C1110-F1113 PolarHBondContact O-N 2.55Å; F1113-P1115 VanDerWaalsContact C-N 3.26Å; F1113-P1115 VanDerWaalsContact O-N 3.11Å; F1113-L1116 HydrophobicContact CB-CD1 3.78Å; F1113-L1116 HydrophobicContact CB-CG 3.96Å; F1113-L1116 HydrophobicContact CD2-CD1 4.11Å; F1113-L1116 HydrophobicContact CG-CD1 4.39Å; F1113-L1116 WeakPolarHBondContact O-CB 3.42Å; F1113-L1116 PolarHBondContact O-N 2.8Å
1114P88.5Confident89.7Confident77 Ų7737.2 Ų37.250%0.522%0.221SC..G310 helixtrans-49.1-33.1171.9-29.836.3000116.3L1116 Y1117P1114-L1116 PolarHBondContact O-N 2.85Å; P1114-Y1117 HydrophobicContact CB-CD2 4.18Å; P1114-Y1117 HydrophobicContact CB-CE2 3.78Å; P1114-Y1117 HydrophobicContact CG-CE2 4.36Å; P1114-Y1117 WeakPolarHBondContact O-CD2 3.46Å; P1114-Y1117 PolarHBondContact O-N 2.87Å
1115P91.4Very high89.9Confident87 Ų8737.5 Ų37.557%0.56522%0.221SC*.G310 helixtrans-66.45.4175.5-23.436000116.3R1077 F1113R1077-P1115 PolarHBondContact NH2-O 3.26Å; F1113-P1115 VanDerWaalsContact C-N 3.26Å; F1113-P1115 VanDerWaalsContact O-N 3.11Å
1116L91.3Very high89.9Confident0 Ų041.6 Ų41.60%024%0.239CC..G310 helixtrans-107-3.1176.6-58.6-179.6000113.8L1073 A1076 R1077 I1080 F1109 F1113 P1114 D1118 D1119 V1120L1073-L1116 HydrophobicContact CD1-CD1 4.08Å; L1073-L1116 HydrophobicContact CD1-CD2 3.9Å; L1073-L1116 HydrophobicContact CD1-CG 3.92Å; A1076-L1116 HydrophobicContact CB-CD1 3.87Å; R1077-L1116 HydrophobicContact CB-CD2 4.07Å; I1080-L1116 HydrophobicContact CD1-CB 4.27Å; I1080-L1116 HydrophobicContact CD1-CD1 3.9Å; I1080-L1116 HydrophobicContact CD1-CD2 4.35Å; I1080-L1116 HydrophobicContact CD1-CG 4.41Å; F1109-L1116 HydrophobicContact CB-CD1 4.34Å; F1113-L1116 HydrophobicContact CB-CD1 3.78Å; F1113-L1116 HydrophobicContact CB-CG 3.96Å; F1113-L1116 HydrophobicContact CD2-CD1 4.11Å; F1113-L1116 HydrophobicContact CG-CD1 4.39Å; F1113-L1116 WeakPolarHBondContact O-CB 3.42Å; F1113-L1116 PolarHBondContact O-N 2.8Å; P1114-L1116 PolarHBondContact O-N 2.85Å; L1116-D1118 PolarHBondContact O-N 2.69Å; L1116-D1119 PolarHBondContact O-N 3.47Å; L1116-V1120 HydrophobicContact CB-CG2 4.42Å; L1116-V1120 WeakPolarHBondContact O-CB 3.5Å; L1116-V1120 WeakPolarHBondContact O-CG2 3.48Å; L1116-V1120 PolarHBondContact O-N 2.97Å
1117Y89.8Confident89.8Confident67 Ų6741.6 Ų41.626%0.26324%0.24SC..Hα-helixtrans-55.6-45.5-176.9-78.2-61.6000113.4C1110 P1114 V1120 A1121 I1199 T1203C1110-Y1117 HydrophobicContact CB-CD1 3.95Å; C1110-Y1117 HydrophobicContact CB-CE1 3.45Å; C1110-Y1117 VanDerWaalsContact CB-CE1 3.45Å; C1110-Y1117 PolarHBondContact O-OH 3.02Å; C1110-Y1117 WeakPolarHBondContact SG-CD1 3.5Å; P1114-Y1117 HydrophobicContact CB-CD2 4.18Å; P1114-Y1117 HydrophobicContact CB-CE2 3.78Å; P1114-Y1117 HydrophobicContact CG-CE2 4.36Å; P1114-Y1117 WeakPolarHBondContact O-CD2 3.46Å; P1114-Y1117 PolarHBondContact O-N 2.87Å; Y1117-V1120 PolarHBondContact O-N 3.49Å; Y1117-A1121 VanDerWaalsContact O-CB 3.22Å; Y1117-A1121 WeakPolarHBondContact O-CB 3.38Å; Y1117-A1121 PolarHBondContact O-N 3.31Å; Y1117-I1199 HydrophobicContact CD1-CG2 4.14Å; Y1117-I1199 HydrophobicContact CE1-CG2 3.96Å; Y1117-T1203 HydrophobicContact CD1-CG2 4.41Å; Y1117-T1203 HydrophobicContact CE1-CG2 3.49Å; Y1117-T1203 VanDerWaalsContact CE1-CG2 3.49Å; Y1117-T1203 HydrophobicContact CE2-CG2 4.01Å; Y1117-T1203 WeakPolarHBondContact OH-CG2 3.49Å
1118D89.5Confident89.6Confident142 Ų14242 Ų4276%0.75925%0.247SC*.Hα-helixtrans-67.6-43.3-179.9-63.4-41.2000112.1L1116 V1120 A1121 A1122L1116-D1118 PolarHBondContact O-N 2.69Å; D1118-V1120 VanDerWaalsContact C-N 3.34Å; D1118-V1120 PolarHBondContact O-N 2.89Å; D1118-A1121 PolarHBondContact O-N 3.43Å; D1118-A1122 WeakPolarHBondContact O-CB 3.4Å; D1118-A1122 PolarHBondContact O-N 3.19Å
1119D90.9Very high89.7Confident63 Ų6347.2 Ų47.234%0.33727%0.269SS..Hα-helixtrans-58.7-44.7176.4-70.1-28.6000110.6R1077 I1080 L1116 L1123R1077-D1119 IonicContact CZ-OD2 3.3Å; R1077-D1119 IonicContact NE-OD2 3.99Å; R1077-D1119 PolarHBondContact NE-OD2 3.2Å; R1077-D1119 IonicContact NH2-OD2 2.67Å; R1077-D1119 PolarHBondContact NH2-OD2 2.98Å; I1080-D1119 HydrophobicContact CG2-CB 4.35Å; L1116-D1119 PolarHBondContact O-N 3.47Å; D1119-L1123 PolarHBondContact O-N 2.95Å
1120V91Very high89.5Confident2 Ų249.3 Ų49.31%0.01228%0.282CS..Hα-helixtrans-72.7-42.9179.7170.20000112.1I1080 L1106 L1116 Y1117 D1118 A1122 L1123 L1124 I1199I1080-V1120 HydrophobicContact CD1-CG2 3.65Å; I1080-V1120 HydrophobicContact CG1-CG2 4.27Å; L1106-V1120 HydrophobicContact CB-CG1 3.93Å; L1106-V1120 HydrophobicContact CD1-CG1 4.31Å; L1116-V1120 HydrophobicContact CB-CG2 4.42Å; L1116-V1120 WeakPolarHBondContact O-CB 3.5Å; L1116-V1120 WeakPolarHBondContact O-CG2 3.48Å; L1116-V1120 PolarHBondContact O-N 2.97Å; Y1117-V1120 PolarHBondContact O-N 3.49Å; D1118-V1120 VanDerWaalsContact C-N 3.34Å; D1118-V1120 PolarHBondContact O-N 2.89Å; V1120-A1122 VanDerWaalsContact C-N 3.33Å; V1120-A1122 PolarHBondContact O-N 2.86Å; V1120-L1123 PolarHBondContact O-N 3.12Å; V1120-L1124 HydrophobicContact CG1-CD1 3.84Å; V1120-L1124 HydrophobicContact CG1-CG 4.26Å; V1120-L1124 WeakPolarHBondContact O-CG 3.35Å; V1120-L1124 PolarHBondContact O-N 3.47Å; V1120-I1199 HydrophobicContact CG1-CD1 3.98Å
1121A88.9Confident89.2Confident37 Ų3749.6 Ų49.631%0.30628%0.283SS..Hα-helixtrans-62.9-40.8178.300000111.5Y1117 D1118 L1124 V1125Y1117-A1121 VanDerWaalsContact O-CB 3.22Å; Y1117-A1121 WeakPolarHBondContact O-CB 3.38Å; Y1117-A1121 PolarHBondContact O-N 3.31Å; D1118-A1121 PolarHBondContact O-N 3.43Å; A1121-L1124 PolarHBondContact O-N 3.45Å; A1121-V1125 WeakPolarHBondContact O-CG2 3.28Å; A1121-V1125 PolarHBondContact O-N 3.47Å
1122A91.7Very high89Confident48 Ų4845.8 Ų45.840%0.39727%0.271SS..Hα-helixtrans-60.8-43.9173.600000112D1118 V1120 V1125 Q1126D1118-A1122 WeakPolarHBondContact O-CB 3.4Å; D1118-A1122 PolarHBondContact O-N 3.19Å; V1120-A1122 VanDerWaalsContact C-N 3.33Å; V1120-A1122 PolarHBondContact O-N 2.86Å; A1122-V1125 PolarHBondContact O-N 2.9Å; A1122-Q1126 WeakPolarHBondContact O-CG 3.46Å; A1122-Q1126 PolarHBondContact O-N 2.94Å; A1122-Q1126 VanDerWaalsContact O-N 3.08Å
1123L91.5Very high88.8Confident6 Ų648.3 Ų48.33%0.03129%0.287CS..Hα-helixtrans-62.8-47.6175.717859000111.9I1080 M1083 L1106 D1119 V1120 V1125 Q1126 V1127I1080-L1123 HydrophobicContact CG2-CD2 4.05Å; M1083-L1123 HydrophobicContact CB-CD2 3.93Å; M1083-L1123 HydrophobicContact CE-CD2 4.45Å; L1106-L1123 HydrophobicContact CD1-CD2 4.13Å; L1106-L1123 HydrophobicContact CD2-CD2 4.47Å; D1119-L1123 PolarHBondContact O-N 2.95Å; V1120-L1123 PolarHBondContact O-N 3.12Å; L1123-V1125 VanDerWaalsContact C-N 3.31Å; L1123-V1125 PolarHBondContact O-N 3.33Å; L1123-Q1126 WeakPolarHBondContact O-CB 3.47Å; L1123-Q1126 PolarHBondContact O-N 3.34Å; L1123-Q1126 VanDerWaalsContact O-N 3.13Å; L1123-V1127 HydrophobicContact CD1-CG2 4.14Å; L1123-V1127 HydrophobicContact CG-CG2 4.42Å; L1123-V1127 WeakPolarHBondContact O-CG2 3.34Å; L1123-V1127 PolarHBondContact O-N 3.06Å
1124L90.6Very high88.3Confident3 Ų349 Ų492%0.01629%0.291CS..Hα-helixtrans-61.2-38.7179.5-71.9171.8000112.3L1103 L1106 V1120 A1121 V1127 G1128 F1196 I1199L1103-L1124 HydrophobicContact CD2-CD2 3.56Å; L1106-L1124 HydrophobicContact CD1-CD2 3.96Å; L1106-L1124 HydrophobicContact CD1-CG 4.32Å; V1120-L1124 HydrophobicContact CG1-CD1 3.84Å; V1120-L1124 HydrophobicContact CG1-CG 4.26Å; V1120-L1124 WeakPolarHBondContact O-CG 3.35Å; V1120-L1124 PolarHBondContact O-N 3.47Å; A1121-L1124 PolarHBondContact O-N 3.45Å; L1124-V1127 PolarHBondContact O-N 2.68Å; L1124-G1128 PolarHBondContact O-N 3.01Å; L1124-F1196 HydrophobicContact CB-CD2 3.84Å; L1124-F1196 HydrophobicContact CB-CE2 4.02Å; L1124-F1196 HydrophobicContact CD1-CD2 3.72Å; L1124-F1196 HydrophobicContact CD1-CE2 4.24Å; L1124-F1196 HydrophobicContact CG-CD2 4.39Å; L1124-I1199 HydrophobicContact CD1-CD1 3.76Å
1125V90.7Very high87.9Confident72 Ų7245.7 Ų45.744%0.43627%0.27SS..Hα-helixtrans-64.8-41.4173.9169.90000111.5A1121 A1122 L1123 G1128 Q1129A1121-V1125 WeakPolarHBondContact O-CG2 3.28Å; A1121-V1125 PolarHBondContact O-N 3.47Å; A1122-V1125 PolarHBondContact O-N 2.9Å; L1123-V1125 VanDerWaalsContact C-N 3.31Å; L1123-V1125 PolarHBondContact O-N 3.33Å; V1125-G1128 PolarHBondContact O-N 3Å; V1125-Q1129 VanDerWaalsContact O-CG 3.31Å; V1125-Q1129 WeakPolarHBondContact O-CG 3.28Å; V1125-Q1129 PolarHBondContact O-N 3.03Å
1126Q89.4Confident87.3Confident93 Ų9345.3 Ų45.344%0.43527%0.274SS..Hα-helixtrans-64.4-46.1175.8-70.3171.120.400112L1087 A1122 L1123 G1128 Q1129 V1130L1087-Q1126 HydrophobicContact CD2-CB 3.83Å; A1122-Q1126 WeakPolarHBondContact O-CG 3.46Å; A1122-Q1126 PolarHBondContact O-N 2.94Å; A1122-Q1126 VanDerWaalsContact O-N 3.08Å; L1123-Q1126 WeakPolarHBondContact O-CB 3.47Å; L1123-Q1126 PolarHBondContact O-N 3.34Å; L1123-Q1126 VanDerWaalsContact O-N 3.13Å; Q1126-G1128 VanDerWaalsContact C-N 3.32Å; Q1126-G1128 PolarHBondContact O-N 2.92Å; Q1126-Q1129 PolarHBondContact O-N 3.35Å; Q1126-V1130 WeakPolarHBondContact O-CG2 3.34Å; Q1126-V1130 PolarHBondContact O-N 3.19Å
1127V87.9Confident86.6Confident1 Ų150 Ų501%0.00630%0.303CS..Hα-helixtrans-59-46.3175.11790000110L1087 F1099 L1123 L1124 Q1129 V1130 C1131 V1192L1087-V1127 HydrophobicContact CD1-CG2 4.09Å; L1087-V1127 HydrophobicContact CD2-CG2 3.87Å; F1099-V1127 HydrophobicContact CD1-CG2 4.07Å; F1099-V1127 HydrophobicContact CE1-CG2 3.79Å; F1099-V1127 HydrophobicContact CZ-CG2 4.2Å; L1123-V1127 HydrophobicContact CD1-CG2 4.14Å; L1123-V1127 HydrophobicContact CG-CG2 4.42Å; L1123-V1127 WeakPolarHBondContact O-CG2 3.34Å; L1123-V1127 PolarHBondContact O-N 3.06Å; L1124-V1127 PolarHBondContact O-N 2.68Å; V1127-Q1129 PolarHBondContact O-N 3.43Å; V1127-V1130 PolarHBondContact O-N 3.09Å; V1127-C1131 PolarHBondContact O-N 2.82Å; V1127-C1131 PolarHBondContact O-SG 2.89Å; V1127-V1192 HydrophobicContact CB-CG2 4.49Å; V1127-V1192 HydrophobicContact CG1-CG2 3.75Å
1128G85.8Confident85.6Confident24 Ų2452.5 Ų52.525%0.24732%0.315CS..Hα-helixtrans-60.2-40.6177.600000113.8L1124 V1125 Q1126 C1131 A1132L1124-G1128 PolarHBondContact O-N 3.01Å; V1125-G1128 PolarHBondContact O-N 3Å; Q1126-G1128 VanDerWaalsContact C-N 3.32Å; Q1126-G1128 PolarHBondContact O-N 2.92Å; G1128-C1131 PolarHBondContact O-N 3.34Å; G1128-A1132 VanDerWaalsContact O-CB 3.26Å; G1128-A1132 WeakPolarHBondContact O-CB 3.47Å; G1128-A1132 PolarHBondContact O-N 2.92Å
1129Q87.3Confident84.2Confident122 Ų12253 Ų5357%0.5732%0.323SS*.Hα-helixtrans-65.9-39.5175.5-74.4173.87.600112.6V1125 Q1126 V1127 S1133V1125-Q1129 VanDerWaalsContact O-CG 3.31Å; V1125-Q1129 WeakPolarHBondContact O-CG 3.28Å; V1125-Q1129 PolarHBondContact O-N 3.03Å; Q1126-Q1129 PolarHBondContact O-N 3.35Å; V1127-Q1129 PolarHBondContact O-N 3.43Å; Q1129-S1133 WeakPolarHBondContact O-CB 3.44Å; Q1129-S1133 PolarHBondContact O-N 3.1Å; Q1129-S1133 PolarHBondContact O-OG 3.22Å
1130V87Confident83Confident43 Ų4352.8 Ų52.826%0.26132%0.317SS..Hα-helixtrans-64.7-46174.1172.70000110.5L1087 Q1126 V1127 S1133 D1134L1087-V1130 HydrophobicContact CD1-CB 4.37Å; L1087-V1130 HydrophobicContact CD1-CG1 4.39Å; L1087-V1130 HydrophobicContact CD1-CG2 4.28Å; L1087-V1130 HydrophobicContact CD2-CG2 4.29Å; L1087-V1130 HydrophobicContact CG-CG2 4.28Å; Q1126-V1130 WeakPolarHBondContact O-CG2 3.34Å; Q1126-V1130 PolarHBondContact O-N 3.19Å; V1127-V1130 PolarHBondContact O-N 3.09Å; V1130-S1133 WeakPolarHBondContact O-CB 3.27Å; V1130-S1133 PolarHBondContact O-N 3.24Å; V1130-D1134 PolarHBondContact O-N 3.43Å
1131C83.6Confident81.5Confident7 Ų761 Ų615%0.04736%0.361CS..Hα-helixtrans-64.7-43178.8-60.20000112V1127 G1128 S1133 D1134 V1135 L1188V1127-C1131 PolarHBondContact O-N 2.82Å; V1127-C1131 PolarHBondContact O-SG 2.89Å; G1128-C1131 PolarHBondContact O-N 3.34Å; C1131-S1133 PolarHBondContact O-N 2.65Å; C1131-D1134 PolarHBondContact O-N 2.9Å; C1131-V1135 WeakPolarHBondContact O-CB 3.31Å; C1131-V1135 WeakPolarHBondContact O-CG2 3.49Å; C1131-V1135 PolarHBondContact O-N 3.41Å; C1131-L1188 WeakPolarHBondContact SG-CD2 3.24Å
1132A81.8Confident80.2Confident30 Ų3063.2 Ų63.225%0.24837%0.367CS..Hα-helixtrans-58.6-37.8174.300000112.1G1128 A1136 F1145G1128-A1132 VanDerWaalsContact O-CB 3.26Å; G1128-A1132 WeakPolarHBondContact O-CB 3.47Å; G1128-A1132 PolarHBondContact O-N 2.92Å; A1132-A1136 WeakPolarHBondContact O-CB 3.24Å; A1132-A1136 PolarHBondContact O-N 2.76Å; A1132-A1136 VanDerWaalsContact O-N 3.17Å; A1132-F1145 HydrophobicContact CB-CE1 4.06Å; A1132-F1145 HydrophobicContact CB-CZ 3.81Å
1133S83.6Confident78.9Confident75 Ų7564.6 Ų64.652%0.52437%0.368SS..Hα-helixtrans-68.8-49.4174.9-55.80000111.6Q1129 V1130 C1131 V1135 A1136 T1137Q1129-S1133 WeakPolarHBondContact O-CB 3.44Å; Q1129-S1133 PolarHBondContact O-N 3.1Å; Q1129-S1133 PolarHBondContact O-OG 3.22Å; V1130-S1133 WeakPolarHBondContact O-CB 3.27Å; V1130-S1133 PolarHBondContact O-N 3.24Å; C1131-S1133 PolarHBondContact O-N 2.65Å; S1133-V1135 PolarHBondContact O-N 2.83Å; S1133-A1136 PolarHBondContact O-N 3.05Å; S1133-A1136 VanDerWaalsContact O-N 3.16Å; S1133-T1137 WeakPolarHBondContact O-CG2 3.21Å; S1133-T1137 PolarHBondContact O-N 2.73Å
1134D81.9Confident77.6Confident29 Ų2965 Ų6516%0.15537%0.371CS..Hα-helixtrans-59.8-42.9178.9-86.6-51.1000112.1R1092 R1095 V1130 C1131 A1136 T1137R1092-D1134 VanDerWaalsContact CD-OD1 3.26Å; R1092-D1134 WeakPolarHBondContact CD-OD1 3.44Å; R1095-D1134 IonicContact CZ-OD2 2.8Å; R1095-D1134 IonicContact NH1-OD2 3.4Å; R1095-D1134 PolarHBondContact NH1-OD2 3.41Å; V1130-D1134 PolarHBondContact O-N 3.43Å; C1131-D1134 PolarHBondContact O-N 2.9Å; D1134-A1136 PolarHBondContact O-N 3.18Å; D1134-T1137 PolarHBondContact O-N 2.74Å; D1134-T1137 PolarHBondContact O-OG1 2.69Å
1135V80Confident76.2Confident8 Ų869.4 Ų69.45%0.04839%0.39CS..Hα-helixtrans-58.4-47.3173.2170.30000110.9C1131 S1133 T1137 K1138 P1144 F1145 D1185C1131-V1135 WeakPolarHBondContact O-CB 3.31Å; C1131-V1135 WeakPolarHBondContact O-CG2 3.49Å; C1131-V1135 PolarHBondContact O-N 3.41Å; S1133-V1135 PolarHBondContact O-N 2.83Å; V1135-T1137 PolarHBondContact O-N 3.13Å; V1135-K1138 PolarHBondContact O-N 3.16Å; V1135-K1138 VanDerWaalsContact O-O 3.08Å; V1135-P1144 HydrophobicContact CG1-CG 3.9Å; V1135-F1145 HydrophobicContact CB-CE2 4.49Å; V1135-F1145 HydrophobicContact CG1-CE2 3.95Å; V1135-D1185 HydrophobicContact CG2-CB 3.67Å
1136A78.6Confident74.9Confident79 Ų7970.3 Ų70.365%0.65339%0.392SS*.Hα-helixtrans-65.8-17.3-178.600000114.4A1132 S1133 D1134 K1138A1132-A1136 WeakPolarHBondContact O-CB 3.24Å; A1132-A1136 PolarHBondContact O-N 2.76Å; A1132-A1136 VanDerWaalsContact O-N 3.17Å; S1133-A1136 PolarHBondContact O-N 3.05Å; S1133-A1136 VanDerWaalsContact O-N 3.16Å; D1134-A1136 PolarHBondContact O-N 3.18Å; A1136-K1138 VanDerWaalsContact C-N 3.32Å; A1136-K1138 PolarHBondContact O-N 2.75Å
1137T77.9Confident73.5Confident99 Ų9967.2 Ų67.261%0.60738%0.381SS*.THydrogen-bonded Turntrans-75.8-11.7179.163.60000115.2S1133 D1134 V1135S1133-T1137 WeakPolarHBondContact O-CG2 3.21Å; S1133-T1137 PolarHBondContact O-N 2.73Å; D1134-T1137 PolarHBondContact O-N 2.74Å; D1134-T1137 PolarHBondContact O-OG1 2.69Å; V1135-T1137 PolarHBondContact O-N 3.13Å
1138K68.1Low72.1Confident120 Ų12073.6 Ų73.652%0.52241%0.405SS..SBendtrans-144.8140.1-178-68.3-175.8-179.7178.60111.9V1135 A1136 R1140V1135-K1138 PolarHBondContact O-N 3.16Å; V1135-K1138 VanDerWaalsContact O-O 3.08Å; A1136-K1138 VanDerWaalsContact C-N 3.32Å; A1136-K1138 PolarHBondContact O-N 2.75Å; K1138-R1140 WeakPolarHBondContact O-CD 3.42Å; K1138-R1140 WeakPolarHBondContact O-CG 3.24Å; K1138-R1140 PolarHBondContact O-N 2.89Å
1139V59.8Low70.8Confident152 Ų15278.2 Ų78.292%0.92142%0.424SS*.  trans-65.3130.1171.6-1770000109.9
1140R65.1Low69.2Low59 Ų5977.9 Ų77.922%0.22342%0.422CS..  trans-125.5157.4-174.8-52.3-42.9-157.6141.616.1111.6K1138 I1142 D1183 D1185K1138-R1140 WeakPolarHBondContact O-CD 3.42Å; K1138-R1140 WeakPolarHBondContact O-CG 3.24Å; K1138-R1140 PolarHBondContact O-N 2.89Å; R1140-I1142 VanDerWaalsContact C-N 3.3Å; R1140-I1142 PolarHBondContact O-N 3.01Å; R1140-D1183 IonicContact CZ-OD1 3.61Å; R1140-D1183 IonicContact CZ-OD2 2.7Å; R1140-D1183 IonicContact NH1-OD1 3.72Å; R1140-D1183 IonicContact NH1-OD2 3.91Å; R1140-D1183 PolarHBondContact NH1-OD2 3.47Å; R1140-D1183 IonicContact NH2-OD1 3.61Å; R1140-D1183 PolarHBondContact NH2-OD1 3.24Å; R1140-D1183 IonicContact NH2-OD2 3.25Å; R1140-D1183 PolarHBondContact NH2-OD2 3.27Å; R1140-D1185 IonicContact CZ-OD2 2.69Å; R1140-D1185 IonicContact NH2-OD2 3.48Å; R1140-D1185 PolarHBondContact NH2-OD2 3.37Å
1141D59.9Low67.7Low175 Ų17577 Ų7794%0.93642%0.418SS*.SBendtrans-73.7-20.3178.9-48.8-71.9000113.7
1142I61.7Low66.1Low83 Ų8382.1 Ų82.143%0.42645%0.445SS..SBendtrans-127.8122.9173.3-60.1175.7000107.7R1140 P1144R1140-I1142 VanDerWaalsContact C-N 3.3Å; R1140-I1142 PolarHBondContact O-N 3.01Å; I1142-P1144 WeakPolarHBondContact O-CD 3.47Å
1143D64Low64.2Low77 Ų7790.8 Ų90.841%0.41247%0.471SS..  trans-97104174.8-171.1-23.4000109.9F1145 I1146 A1147D1143-F1145 VanDerWaalsContact C-N 3.25Å; D1143-F1145 PolarHBondContact O-N 2.99Å; D1143-F1145 WeakPolarHBondContact OD1-CD2 3.38Å; D1143-F1145 PolarHBondContact OD1-N 3.29Å; D1143-I1146 HydrophobicContact CB-CB 4.37Å; D1143-I1146 HydrophobicContact CB-CD1 4Å; D1143-I1146 HydrophobicContact CB-CG1 4.14Å; D1143-I1146 PolarHBondContact O-N 3.41Å; D1143-I1146 WeakPolarHBondContact OD2-CD1 3.49Å; D1143-A1147 PolarHBondContact O-N 3.02Å
1144P64.6Low62.4Low15 Ų1594.7 Ų94.710%0.09748%0.481CS..Hα-helixtrans-67.3-25.4-173.327.7-34.6000112.7V1135 I1142 I1146 A1147 R1148V1135-P1144 HydrophobicContact CG1-CG 3.9Å; I1142-P1144 WeakPolarHBondContact O-CD 3.47Å; P1144-I1146 VanDerWaalsContact C-N 3.33Å; P1144-I1146 PolarHBondContact O-N 3.22Å; P1144-A1147 PolarHBondContact O-N 3.06Å; P1144-R1148 VanDerWaalsContact O-CB 3.3Å; P1144-R1148 WeakPolarHBondContact O-CB 3.42Å; P1144-R1148 PolarHBondContact O-N 3.04Å
1145F62.3Low60.9Low95 Ų9597.8 Ų97.842%0.41749%0.493SS..Hα-helixtrans-67.6-36.8177.9-58.5-73.2000111.4A1132 V1135 D1143 L1149A1132-F1145 HydrophobicContact CB-CE1 4.06Å; A1132-F1145 HydrophobicContact CB-CZ 3.81Å; V1135-F1145 HydrophobicContact CB-CE2 4.49Å; V1135-F1145 HydrophobicContact CG1-CE2 3.95Å; D1143-F1145 VanDerWaalsContact C-N 3.25Å; D1143-F1145 PolarHBondContact O-N 2.99Å; D1143-F1145 WeakPolarHBondContact OD1-CD2 3.38Å; D1143-F1145 PolarHBondContact OD1-N 3.29Å; F1145-L1149 WeakPolarHBondContact O-CG 3.45Å; F1145-L1149 PolarHBondContact O-N 3.09Å
1146I61.6Low58.9Low91 Ų91101.7 Ų101.747%0.46752%0.518SS..Hα-helixtrans-72.3-43.7175.7-58.4179.7000110.2D1143 P1144 R1148 L1149 Q1150D1143-I1146 HydrophobicContact CB-CB 4.37Å; D1143-I1146 HydrophobicContact CB-CD1 4Å; D1143-I1146 HydrophobicContact CB-CG1 4.14Å; D1143-I1146 PolarHBondContact O-N 3.41Å; D1143-I1146 WeakPolarHBondContact OD2-CD1 3.49Å; P1144-I1146 VanDerWaalsContact C-N 3.33Å; P1144-I1146 PolarHBondContact O-N 3.22Å; I1146-R1148 PolarHBondContact O-N 3.2Å; I1146-L1149 PolarHBondContact O-N 3.01Å; I1146-Q1150 HydrophobicContact CG2-CG 4.49Å; I1146-Q1150 WeakPolarHBondContact O-CG 3.34Å; I1146-Q1150 PolarHBondContact O-N 3.17Å
1147A60.3Low57Low27 Ų27106.7 Ų106.722%0.22353%0.528CS..Hα-helixtrans-60.6-41.7177.800000112.7D1143 P1144 L1149 Q1150 S1151D1143-A1147 PolarHBondContact O-N 3.02Å; P1144-A1147 PolarHBondContact O-N 3.06Å; A1147-L1149 PolarHBondContact O-N 3.34Å; A1147-Q1150 PolarHBondContact O-N 3.35Å; A1147-S1151 PolarHBondContact O-N 3Å; A1147-S1151 PolarHBondContact O-OG 3.47Å
1148R60.1Low55Low135 Ų135111 Ų11151%0.50954%0.542SS..Hα-helixtrans-62.1-38.5174.3-179.7179.7174144.1-8.2112.8P1144 I1146 S1151 L1152 E1193P1144-R1148 VanDerWaalsContact O-CB 3.3Å; P1144-R1148 WeakPolarHBondContact O-CB 3.42Å; P1144-R1148 PolarHBondContact O-N 3.04Å; I1146-R1148 PolarHBondContact O-N 3.2Å; R1148-S1151 PolarHBondContact O-OG 3.27Å; R1148-L1152 HydrophobicContact CG-CD1 4.37Å; R1148-L1152 WeakPolarHBondContact O-CD1 3.28Å; R1148-L1152 WeakPolarHBondContact O-CG 3.28Å; R1148-L1152 PolarHBondContact O-N 2.97Å; R1148-E1193 WeakPolarHBondContact CD-OE1 3.35Å; R1148-E1193 IonicContact CZ-OE1 3.7Å; R1148-E1193 IonicContact NE-OE1 2.65Å; R1148-E1193 IonicContact NH1-OE1 3.97Å; R1148-E1193 PolarHBondContact NH1-OE1 2.96Å
1149L57.7Low53.4Low121 Ų121110 Ų11063%0.63456%0.556SS**Hα-helixtrans-72.7-30.1175.7-74.7171.1000112.7F1145 I1146 A1147 R1153F1145-L1149 WeakPolarHBondContact O-CG 3.45Å; F1145-L1149 PolarHBondContact O-N 3.09Å; I1146-L1149 PolarHBondContact O-N 3.01Å; A1147-L1149 PolarHBondContact O-N 3.34Å; L1149-R1153 WeakPolarHBondContact O-CB 3.34Å; L1149-R1153 PolarHBondContact O-N 2.7Å
1150Q52.7Low52.2Low115 Ų115107.4 Ų107.454%0.53755%0.55SS..Hα-helixtrans-70.5-49.4175.3-73.8171.4-12.800111.9I1146 A1147 L1152 R1153 E1154I1146-Q1150 HydrophobicContact CG2-CG 4.49Å; I1146-Q1150 WeakPolarHBondContact O-CG 3.34Å; I1146-Q1150 PolarHBondContact O-N 3.17Å; A1147-Q1150 PolarHBondContact O-N 3.35Å; Q1150-L1152 VanDerWaalsContact C-N 3.32Å; Q1150-L1152 PolarHBondContact O-N 3.15Å; Q1150-R1153 WeakPolarHBondContact O-CA 3.09Å; Q1150-R1153 VanDerWaalsContact O-CB 3.24Å; Q1150-R1153 WeakPolarHBondContact O-CB 3.49Å; Q1150-R1153 PolarHBondContact O-N 3.03Å; Q1150-E1154 PolarHBondContact O-N 3.47Å
1151S56Low50.6Low25 Ų25108.8 Ų108.818%0.17557%0.574CS.*Hα-helixtrans-66-30.7-178.960.40000113.8A1147 R1148 R1153 L1171A1147-S1151 PolarHBondContact O-N 3Å; A1147-S1151 PolarHBondContact O-OG 3.47Å; R1148-S1151 PolarHBondContact O-OG 3.27Å; S1151-R1153 VanDerWaalsContact C-N 3.29Å; S1151-L1171 WeakPolarHBondContact OG-CD2 3.42Å
1152L49.8Very low49.6Very low115 Ų115107.3 Ų107.360%0.60257%0.574SS**Hα-helixtrans-70.3-23168.6-73.6170.4000113.1R1148 Q1150R1148-L1152 HydrophobicContact CG-CD1 4.37Å; R1148-L1152 WeakPolarHBondContact O-CD1 3.28Å; R1148-L1152 WeakPolarHBondContact O-CG 3.28Å; R1148-L1152 PolarHBondContact O-N 2.97Å; Q1150-L1152 VanDerWaalsContact C-N 3.32Å; Q1150-L1152 PolarHBondContact O-N 3.15Å
1153R42.6Very low48Very low212 Ų212106.8 Ų106.880%0.859%0.589SS**Hα-helixtrans-83.9-21.9-179.6-127.9-179.9-178-169.30.7114.2L1149 Q1150 S1151 P1156L1149-R1153 WeakPolarHBondContact O-CB 3.34Å; L1149-R1153 PolarHBondContact O-N 2.7Å; Q1150-R1153 WeakPolarHBondContact O-CA 3.09Å; Q1150-R1153 VanDerWaalsContact O-CB 3.24Å; Q1150-R1153 WeakPolarHBondContact O-CB 3.49Å; Q1150-R1153 PolarHBondContact O-N 3.03Å; S1151-R1153 VanDerWaalsContact C-N 3.29Å; R1153-P1156 VanDerWaalsContact C-CD 3.5Å; R1153-P1156 WeakPolarHBondContact O-CD 3.48Å
1154E45.8Very low46.7Very low157 Ų157107.4 Ų107.473%0.73461%0.613SS**Hα-helixtrans-83.2-29.1-178.9-69176.5152.400112.7Q1150Q1150-E1154 PolarHBondContact O-N 3.47Å
1155K49.7Very low44.9Very low94 Ų94110.2 Ų110.241%0.40965%0.645SS.*G310 helixtrans-74.4-11.8-177.6-70.3-171.3171.9-174.50119.5Q1157 L1169 T1170K1155-Q1157 VanDerWaalsContact C-N 3.32Å; K1155-Q1157 PolarHBondContact O-N 3.23Å; K1155-L1169 PolarHBondContact NZ-O 3.23Å; K1155-L1169 VanDerWaalsContact NZ-O 3.1Å; K1155-T1170 VanDerWaalsContact NZ-C 3.3Å; K1155-T1170 PolarHBondContact NZ-O 2.88Å
1156P38.8Very low43.4Very low90 Ų90111 Ų11158%0.58466%0.662SS**G310 helixtrans-67.1-15.4-175.7-25.335.4000117.7R1153R1153-P1156 VanDerWaalsContact C-CD 3.5Å; R1153-P1156 WeakPolarHBondContact O-CD 3.48Å
1157Q38.5Very low41.8Very low184 Ų184111.7 Ų111.786%0.8668%0.675SS**G310 helixtrans-90.7-15.5-165-86-173.2-31.600116.9K1155K1155-Q1157 VanDerWaalsContact C-N 3.32Å; K1155-Q1157 PolarHBondContact O-N 3.23Å
1158E36.9Very low40.5Very low190 Ų190118.7 Ų118.789%0.88870%0.701SS**SBendtrans-95.40.5-174.1-62.9-167.3133.700114.9A1160E1158-A1160 PolarHBondContact O-N 2.78Å
1159A34.4Very low39.1Very low99 Ų99117.8 Ų117.882%0.81871%0.705SS**  trans-77.522.1-169.400000116.2
1160A34.1Very low37.8Very low96 Ų96116.2 Ų116.279%0.79370%0.701SS**  trans-135.750.6-163.100000116E1158E1158-A1160 PolarHBondContact O-N 2.78Å
1161A31Very low37Very low89 Ų89114.1 Ų114.174%0.73669%0.693SS**  trans-145.9125.3164.200000111.9G1163A1161-G1163 PolarHBondContact O-N 2.9Å
1162P38.7Very low36Very low144 Ų144117.9 Ų117.994%0.93572%0.717SS**  trans-82.6101.7-178.931.6-32.5000111.2
1163G29.1Very low35.4Very low72 Ų72120.3 Ų120.374%0.74273%0.725SS**SBendtrans-157.527.5-169.900000117.4A1161A1161-G1163 PolarHBondContact O-N 2.9Å
1164G35.3Very low35.3Very low89 Ų89115.5 Ų115.592%0.91871%0.71SS**  trans57.362.9163.400000116.8
1165G28.7Very low34.7Very low74 Ų74111.8 Ų111.876%0.76370%0.698SS**  trans-141139.5173.300000113S1167G1165-S1167 PolarHBondContact O-N 2.88Å
1166S28.9Very low34.1Very low112 Ų112111.4 Ų111.478%0.78371%0.712SS**  trans-82.593.7169.241.60000109.8K1168S1166-K1168 PolarHBondContact O-N 2.85Å
1167S29.1Very low34Very low106 Ų106115.7 Ų115.774%0.74173%0.725SS**  trans-62.1118.2178.754.90000111.4G1165 L1169G1165-S1167 PolarHBondContact O-N 2.88Å; S1167-L1169 PolarHBondContact O-N 3.39Å; S1167-L1169 VanDerWaalsContact O-N 3.1Å
1168K32.3Very low34.3Very low173 Ų173112.7 Ų112.775%0.75271%0.711SS**  trans-57.9115.9170-76.7-165.5174.3-167.70109.4S1166 T1170S1166-K1168 PolarHBondContact O-N 2.85Å; K1168-T1170 HydrophobicContact CB-CG2 4.31Å; K1168-T1170 PolarHBondContact O-N 3.19Å
1169L30.8Very low34.8Very low116 Ų116105.3 Ų105.361%0.60768%0.677SS**  trans-79.519.2-179.7-129167.7000113.1K1155 S1167 L1171K1155-L1169 PolarHBondContact NZ-O 3.23Å; K1155-L1169 VanDerWaalsContact NZ-O 3.1Å; S1167-L1169 PolarHBondContact O-N 3.39Å; S1167-L1169 VanDerWaalsContact O-N 3.1Å; L1169-L1171 PolarHBondContact O-N 2.98Å
1170T31.6Very low35.4Very low88 Ų88103.6 Ų103.654%0.5467%0.67SS.*  trans-51.4121.8177.741.60000111.4K1155 K1168K1155-T1170 VanDerWaalsContact NZ-C 3.3Å; K1155-T1170 PolarHBondContact NZ-O 2.88Å; K1168-T1170 HydrophobicContact CB-CG2 4.31Å; K1168-T1170 PolarHBondContact O-N 3.19Å
1171L34.2Very low36.3Very low72 Ų72103 Ų10338%0.37767%0.672SS.*  trans-62.4159.1147.2-83.2115.6000108.5S1151 L1169 Q1173S1151-L1171 WeakPolarHBondContact OG-CD2 3.42Å; L1169-L1171 PolarHBondContact O-N 2.98Å; L1171-Q1173 PolarHBondContact O-N 3.39Å
1172P35Very low37.7Very low104 Ų10499.8 Ų99.868%0.67565%0.646SS**  trans-59.4112.5165.926.1-32.8000108.6K1174P1172-K1174 PolarHBondContact O-N 3.47Å
1173Q38.9Very low39.4Very low165 Ų16595.1 Ų95.177%0.77161%0.613SS**  trans-62.694.8160.1-78.1177.5-27.600106.7L1171 T1175L1171-Q1173 PolarHBondContact O-N 3.39Å; Q1173-T1175 PolarHBondContact O-N 3.06Å; Q1173-T1175 VanDerWaalsContact O-N 3.17Å
1174K39Very low41.8Very low112 Ų11293.8 Ų93.849%0.48759%0.591SS.*  trans-58.2118.6163.5-73.3-178.2158.1-86.80106.4P1172 E1178 L1179P1172-K1174 PolarHBondContact O-N 3.47Å; K1174-E1178 HydrophobicContact CB-CB 4.4Å; K1174-E1178 VanDerWaalsContact CG-OE2 3.27Å; K1174-E1178 WeakPolarHBondContact CG-OE2 3.35Å; K1174-E1178 IonicContact NZ-OE2 3.43Å; K1174-E1178 PolarHBondContact NZ-OE2 2.95Å; K1174-L1179 HydrophobicContact CB-CD1 4.4Å
1175T34Very low43.9Very low78 Ų7890 Ų9048%0.47955%0.55SS..  trans-60.7155-177.149.40000109.9Q1173 E1177 E1178Q1173-T1175 PolarHBondContact O-N 3.06Å; Q1173-T1175 VanDerWaalsContact O-N 3.17Å; T1175-E1177 PolarHBondContact O-N 2.93Å; T1175-E1178 PolarHBondContact O-N 3.42Å
1176A36.9Very low46.3Very low86 Ų8686.5 Ų86.571%0.71151%0.514SS*.Hα-helixtrans-55.1-26.8-179.300000112.7L1179 G1180A1176-L1179 PolarHBondContact O-N 2.94Å; A1176-G1180 PolarHBondContact O-N 3.33Å
1177E37.6Very low48.8Very low181 Ų18183 Ų8385%0.84649%0.485SS*.Hα-helixtrans-62.6-36.7173.9-58.8-179.2130.100113.5T1175 L1179T1175-E1177 PolarHBondContact O-N 2.93Å; E1177-L1179 VanDerWaalsContact C-N 3.33Å
1178E43.1Very low51.4Low120 Ų12078.5 Ų78.556%0.56145%0.453SS*.Hα-helixtrans-73.9-25174-70-163172.700112.7K1174 T1175K1174-E1178 HydrophobicContact CB-CB 4.4Å; K1174-E1178 VanDerWaalsContact CG-OE2 3.27Å; K1174-E1178 WeakPolarHBondContact CG-OE2 3.35Å; K1174-E1178 IonicContact NZ-OE2 3.43Å; K1174-E1178 PolarHBondContact NZ-OE2 2.95Å; T1175-E1178 PolarHBondContact O-N 3.42Å
1179L48.2Very low53.8Low35 Ų3571.2 Ų71.218%0.18342%0.424CS..Hα-helixtrans-95.7-11.8-174.6-79.6166.1000114.1K1174 A1176 E1177 G1181 A1182 Q1187 Y1190K1174-L1179 HydrophobicContact CB-CD1 4.4Å; A1176-L1179 PolarHBondContact O-N 2.94Å; E1177-L1179 VanDerWaalsContact C-N 3.33Å; L1179-G1181 PolarHBondContact O-N 3.49Å; L1179-A1182 HydrophobicContact CD2-CB 4.12Å; L1179-A1182 WeakPolarHBondContact O-CB 3.46Å; L1179-A1182 PolarHBondContact O-N 3.46Å; L1179-Q1187 PolarHBondContact O-NE2 2.6Å; L1179-Y1190 HydrophobicContact CD2-CD2 3.82Å; L1179-Y1190 HydrophobicContact CD2-CE2 4.02Å
1180G47.4Very low56.2Low64 Ų6468.6 Ų68.666%0.6641%0.406SS*.THydrogen-bonded Turntrans-59.8-16.9-176.400000115.9A1176A1176-G1180 PolarHBondContact O-N 3.33Å
1181G52.7Low58.6Low83 Ų8365.5 Ų65.586%0.85639%0.388SS*.THydrogen-bonded Turntrans-103.51.4173.800000115.7L1179L1179-G1181 PolarHBondContact O-N 3.49Å
1182A60.9Low61.1Low21 Ų2162.7 Ų62.717%0.17437%0.373CS..SBendtrans-83.1156.5-177.700000112.8L1179 Q1187L1179-A1182 HydrophobicContact CD2-CB 4.12Å; L1179-A1182 WeakPolarHBondContact O-CB 3.46Å; L1179-A1182 PolarHBondContact O-N 3.46Å; A1182-Q1187 HydrophobicContact CB-CG 4.11Å; A1182-Q1187 PolarHBondContact O-NE2 3.22Å
1183D74.9Confident63.4Low46 Ų4660.5 Ų60.525%0.24635%0.354CS..  trans-65.3140.8176.8-175.6-85.2000111.9R1092 R1140 D1185 V1186 Q1187R1092-D1183 IonicContact NH2-OD1 2.69Å; R1092-D1183 IonicContact NH2-OD2 2.87Å; R1140-D1183 IonicContact CZ-OD1 3.61Å; R1140-D1183 IonicContact CZ-OD2 2.7Å; R1140-D1183 IonicContact NH1-OD1 3.72Å; R1140-D1183 IonicContact NH1-OD2 3.91Å; R1140-D1183 PolarHBondContact NH1-OD2 3.47Å; R1140-D1183 IonicContact NH2-OD1 3.61Å; R1140-D1183 PolarHBondContact NH2-OD1 3.24Å; R1140-D1183 IonicContact NH2-OD2 3.25Å; R1140-D1183 PolarHBondContact NH2-OD2 3.27Å; D1183-D1185 PolarHBondContact O-N 3.05Å; D1183-D1185 VanDerWaalsContact O-N 3.12Å; D1183-D1185 WeakPolarHBondContact OD1-CB 3.35Å; D1183-D1185 VanDerWaalsContact OD1-CG 3.22Å; D1183-D1185 PolarHBondContact OD1-N 3.39Å; D1183-V1186 HydrophobicContact CB-CG2 4.46Å; D1183-V1186 WeakPolarHBondContact O-CB 3.41Å; D1183-V1186 PolarHBondContact O-N 2.68Å; D1183-Q1187 PolarHBondContact O-N 2.66Å
1184P77.7Confident65.4Low45 Ų4554.8 Ų54.829%0.29234%0.335SS..Hα-helixtrans-53.6-32.2-179.117.6-33.5000114.9F1096 V1186 L1188F1096-P1184 HydrophobicContact CB-CB 4.44Å; F1096-P1184 HydrophobicContact CD1-CB 3.91Å; F1096-P1184 HydrophobicContact CD2-CB 3.38Å; F1096-P1184 WeakPolarHBondContact CD2-O 3.41Å; F1096-P1184 HydrophobicContact CE1-CB 3.95Å; F1096-P1184 VanDerWaalsContact CE2-CA 3.5Å; F1096-P1184 HydrophobicContact CE2-CB 3.42Å; F1096-P1184 VanDerWaalsContact CE2-CB 3.42Å; F1096-P1184 WeakPolarHBondContact CE2-O 3.43Å; F1096-P1184 HydrophobicContact CG-CB 3.63Å; F1096-P1184 HydrophobicContact CZ-CB 3.71Å; P1184-V1186 VanDerWaalsContact C-N 3.32Å; P1184-V1186 PolarHBondContact O-N 3.47Å; P1184-L1188 WeakPolarHBondContact O-CB 3.21Å; P1184-L1188 PolarHBondContact O-N 2.61Å
1185D79.1Confident67.6Low8 Ų849.7 Ų49.74%0.04331%0.313CS..Hα-helixtrans-67.3-38.2178.7-50-21.5000110.8R1092 V1135 R1140 D1183 L1188 C1189R1092-D1185 IonicContact CZ-OD1 2.75Å; R1092-D1185 IonicContact CZ-OD2 3.71Å; R1092-D1185 IonicContact NE-OD1 3.43Å; R1092-D1185 PolarHBondContact NE-OD1 3.46Å; R1092-D1185 IonicContact NE-OD2 3.55Å; R1092-D1185 IonicContact NH1-OD1 2.76Å; R1092-D1185 IonicContact NH1-OD2 3.53Å; R1092-D1185 PolarHBondContact NH1-OD2 3.47Å; R1092-D1185 IonicContact NH2-OD1 3.62Å; R1092-D1185 PolarHBondContact NH2-OD1 3Å; R1092-D1185 IonicContact NH2-OD2 3.88Å; R1092-D1185 PolarHBondContact NH2-OD2 2.94Å; V1135-D1185 HydrophobicContact CG2-CB 3.67Å; R1140-D1185 IonicContact CZ-OD2 2.69Å; R1140-D1185 IonicContact NH2-OD2 3.48Å; R1140-D1185 PolarHBondContact NH2-OD2 3.37Å; D1183-D1185 PolarHBondContact O-N 3.05Å; D1183-D1185 VanDerWaalsContact O-N 3.12Å; D1183-D1185 WeakPolarHBondContact OD1-CB 3.35Å; D1183-D1185 VanDerWaalsContact OD1-CG 3.22Å; D1183-D1185 PolarHBondContact OD1-N 3.39Å; D1185-L1188 PolarHBondContact O-N 3.09Å; D1185-C1189 PolarHBondContact O-N 3.19Å; D1185-C1189 PolarHBondContact O-SG 3.47Å; D1185-C1189 VanDerWaalsContact O-SG 3.4Å
1186V80.1Confident70Confident2 Ų249.6 Ų49.61%0.01231%0.307CS..Hα-helixtrans-73.6-40.2179.9178.40000110.5D1183 P1184 L1188 C1189 Y1190D1183-V1186 HydrophobicContact CB-CG2 4.46Å; D1183-V1186 WeakPolarHBondContact O-CB 3.41Å; D1183-V1186 PolarHBondContact O-N 2.68Å; P1184-V1186 VanDerWaalsContact C-N 3.32Å; P1184-V1186 PolarHBondContact O-N 3.47Å; V1186-L1188 VanDerWaalsContact C-N 3.32Å; V1186-L1188 PolarHBondContact O-N 2.93Å; V1186-C1189 PolarHBondContact O-N 3.36Å; V1186-Y1190 HydrophobicContact CG1-CD2 3.97Å; V1186-Y1190 HydrophobicContact CG1-CE2 3.57Å; V1186-Y1190 WeakPolarHBondContact O-CD2 3.43Å; V1186-Y1190 PolarHBondContact O-N 3.06Å; V1186-Y1190 VanDerWaalsContact O-N 3.07Å
1187Q80.7Confident72.2Confident39 Ų3948.5 Ų48.518%0.18229%0.287CS..Hα-helixtrans-59.3-42171.1-68.4178.9-12.500111.7F1096 M1100 L1179 A1182 D1183 Y1190 C1191F1096-Q1187 HydrophobicContact CE2-CB 4.13Å; F1096-Q1187 VanDerWaalsContact CZ-OE1 3.3Å; M1100-Q1187 HydrophobicContact CE-CB 3.99Å; L1179-Q1187 PolarHBondContact O-NE2 2.6Å; A1182-Q1187 HydrophobicContact CB-CG 4.11Å; A1182-Q1187 PolarHBondContact O-NE2 3.22Å; D1183-Q1187 PolarHBondContact O-N 2.66Å; Q1187-Y1190 PolarHBondContact O-N 3.42Å; Q1187-C1191 PolarHBondContact O-N 2.93Å
1188L83.6Confident74.3Confident11 Ų1143 Ų436%0.05826%0.264CS..Hα-helixtrans-69-38.7178-173.959.6000112.4F1096 F1099 M1100 L1103 C1131 P1184 D1185 V1186 Y1190 C1191 V1192F1096-L1188 HydrophobicContact CD2-CB 4.17Å; F1099-L1188 HydrophobicContact CB-CD1 3.85Å; M1100-L1188 HydrophobicContact CG-CD1 4.1Å; M1100-L1188 HydrophobicContact SD-CB 4.13Å; M1100-L1188 HydrophobicContact SD-CD1 3.81Å; L1103-L1188 HydrophobicContact CD1-CD1 3.63Å; C1131-L1188 WeakPolarHBondContact SG-CD2 3.24Å; P1184-L1188 WeakPolarHBondContact O-CB 3.21Å; P1184-L1188 PolarHBondContact O-N 2.61Å; D1185-L1188 PolarHBondContact O-N 3.09Å; V1186-L1188 VanDerWaalsContact C-N 3.32Å; V1186-L1188 PolarHBondContact O-N 2.93Å; L1188-Y1190 PolarHBondContact O-N 3.09Å; L1188-C1191 PolarHBondContact O-N 3.3Å; L1188-V1192 WeakPolarHBondContact O-CG2 3.36Å; L1188-V1192 PolarHBondContact O-N 3.41Å
1189C82.6Confident76.3Confident20 Ų2038 Ų3814%0.13524%0.241CC..Hα-helixtrans-55.8-48.7169.9-77.30000111.9D1185 V1186 C1191 V1192 E1193D1185-C1189 PolarHBondContact O-N 3.19Å; D1185-C1189 PolarHBondContact O-SG 3.47Å; D1185-C1189 VanDerWaalsContact O-SG 3.4Å; V1186-C1189 PolarHBondContact O-N 3.36Å; C1189-C1191 VanDerWaalsContact C-N 3.32Å; C1189-C1191 PolarHBondContact O-N 2.88Å; C1189-V1192 PolarHBondContact O-N 3.23Å; C1189-E1193 PolarHBondContact O-N 3.06Å
1190Y81.9Confident77.9Confident61 Ų6139.5 Ų39.524%0.23925%0.248CC..Hα-helixtrans-64.8-33.7177-72.4-56.4000112.8L1179 V1186 Q1187 L1188 E1193 A1194L1179-Y1190 HydrophobicContact CD2-CD2 3.82Å; L1179-Y1190 HydrophobicContact CD2-CE2 4.02Å; V1186-Y1190 HydrophobicContact CG1-CD2 3.97Å; V1186-Y1190 HydrophobicContact CG1-CE2 3.57Å; V1186-Y1190 WeakPolarHBondContact O-CD2 3.43Å; V1186-Y1190 PolarHBondContact O-N 3.06Å; V1186-Y1190 VanDerWaalsContact O-N 3.07Å; Q1187-Y1190 PolarHBondContact O-N 3.42Å; L1188-Y1190 PolarHBondContact O-N 3.09Å; Y1190-E1193 PolarHBondContact O-N 2.65Å; Y1190-A1194 VanDerWaalsContact O-CB 3.27Å; Y1190-A1194 WeakPolarHBondContact O-CB 3.29Å; Y1190-A1194 PolarHBondContact O-N 3.34Å
1191C82.9Confident79.3Confident23 Ų2338.9 Ų38.916%0.15523%0.234CC..Hα-helixtrans-65.9-41.4174.3-171.50000112.3M1100 L1103 Q1187 L1188 C1189 T1195M1100-C1191 HydrophobicContact SD-CB 3.83Å; L1103-C1191 HydrophobicContact CD1-CB 4.41Å; Q1187-C1191 PolarHBondContact O-N 2.93Å; L1188-C1191 PolarHBondContact O-N 3.3Å; C1189-C1191 VanDerWaalsContact C-N 3.32Å; C1189-C1191 PolarHBondContact O-N 2.88Å; C1191-T1195 WeakPolarHBondContact O-CB 3.43Å; C1191-T1195 WeakPolarHBondContact O-CG2 3.47Å; C1191-T1195 PolarHBondContact O-N 2.9Å; C1191-T1195 PolarHBondContact O-OG1 3.41Å
1192V85.5Confident80.3Confident13 Ų1336.4 Ų36.48%0.07920%0.203CC..Hα-helixtrans-64.3-44173.4174.40000111L1103 V1127 L1188 C1189 T1195 F1196L1103-V1192 HydrophobicContact CD1-CG2 3.6Å; L1103-V1192 HydrophobicContact CD2-CG2 4.47Å; V1127-V1192 HydrophobicContact CB-CG2 4.49Å; V1127-V1192 HydrophobicContact CG1-CG2 3.75Å; L1188-V1192 WeakPolarHBondContact O-CG2 3.36Å; L1188-V1192 PolarHBondContact O-N 3.41Å; C1189-V1192 PolarHBondContact O-N 3.23Å; V1192-T1195 PolarHBondContact O-OG1 2.56Å; V1192-F1196 WeakPolarHBondContact O-CB 3.2Å; V1192-F1196 PolarHBondContact O-N 2.81Å; V1192-F1196 VanDerWaalsContact O-N 3.07Å
1193E83.3Confident80.6Confident57 Ų5737.6 Ų37.627%0.26621%0.209SC..Hα-helixtrans-66.9-40178.3-70.2-168.9161.200112.6R1148 C1189 Y1190 M1197R1148-E1193 WeakPolarHBondContact CD-OE1 3.35Å; R1148-E1193 IonicContact CZ-OE1 3.7Å; R1148-E1193 IonicContact NE-OE1 2.65Å; R1148-E1193 IonicContact NH1-OE1 3.97Å; R1148-E1193 PolarHBondContact NH1-OE1 2.96Å; C1189-E1193 PolarHBondContact O-N 3.06Å; Y1190-E1193 PolarHBondContact O-N 2.65Å; E1193-M1197 VanDerWaalsContact O-CG 3.24Å; E1193-M1197 WeakPolarHBondContact O-CG 3.39Å; E1193-M1197 PolarHBondContact O-N 2.74Å; E1193-M1197 VanDerWaalsContact O-N 3.12Å
1194A82.3Confident80.1Confident45 Ų4540.8 Ų40.837%0.37223%0.225SC..Hα-helixtrans-61.9-53.917500000111.5Y1190 F1196 M1197 D1198Y1190-A1194 VanDerWaalsContact O-CB 3.27Å; Y1190-A1194 WeakPolarHBondContact O-CB 3.29Å; Y1190-A1194 PolarHBondContact O-N 3.34Å; A1194-F1196 VanDerWaalsContact C-N 3.29Å; A1194-F1196 PolarHBondContact O-N 3.06Å; A1194-M1197 CarbonylContact O-C 3.4Å; A1194-M1197 WeakPolarHBondContact O-CA 3.37Å; A1194-M1197 WeakPolarHBondContact O-CB 3.46Å; A1194-M1197 PolarHBondContact O-N 3.12Å; A1194-D1198 VanDerWaalsContact O-CG 3.24Å; A1194-D1198 PolarHBondContact O-N 3.23Å
1195T85Confident79.1Confident5 Ų545.6 Ų45.63%0.03124%0.243CC..Hα-helixtrans-63.3-33-177.750.40000113.2L1103 P1104 V1107 C1191 V1192 D1198 I1199L1103-T1195 HydrophobicContact CB-CG2 4.13Å; P1104-T1195 HydrophobicContact CG-CG2 4.24Å; V1107-T1195 HydrophobicContact CG2-CG2 4.18Å; C1191-T1195 WeakPolarHBondContact O-CB 3.43Å; C1191-T1195 WeakPolarHBondContact O-CG2 3.47Å; C1191-T1195 PolarHBondContact O-N 2.9Å; C1191-T1195 PolarHBondContact O-OG1 3.41Å; V1192-T1195 PolarHBondContact O-OG1 2.56Å; T1195-D1198 PolarHBondContact O-N 3.34Å; T1195-I1199 WeakPolarHBondContact O-CG1 3.34Å; T1195-I1199 PolarHBondContact O-N 3.31Å; T1195-I1199 VanDerWaalsContact O-N 3.08Å
1196F84.7Confident77.6Confident77 Ų7748.4 Ų48.434%0.33827%0.274SS..Hα-helixtrans-66.3-40171.8-148.2-77.1000112L1124 V1192 A1194 I1200L1124-F1196 HydrophobicContact CB-CD2 3.84Å; L1124-F1196 HydrophobicContact CB-CE2 4.02Å; L1124-F1196 HydrophobicContact CD1-CD2 3.72Å; L1124-F1196 HydrophobicContact CD1-CE2 4.24Å; L1124-F1196 HydrophobicContact CG-CD2 4.39Å; V1192-F1196 WeakPolarHBondContact O-CB 3.2Å; V1192-F1196 PolarHBondContact O-N 2.81Å; V1192-F1196 VanDerWaalsContact O-N 3.07Å; A1194-F1196 VanDerWaalsContact C-N 3.29Å; A1194-F1196 PolarHBondContact O-N 3.06Å; F1196-I1200 HydrophobicContact CD1-CD1 3.72Å; F1196-I1200 HydrophobicContact CD1-CG1 4.38Å; F1196-I1200 HydrophobicContact CE1-CD1 3.95Å; F1196-I1200 WeakPolarHBondContact O-CG1 3.45Å; F1196-I1200 PolarHBondContact O-N 3Å; F1196-I1200 VanDerWaalsContact O-N 3.11Å
1197M81.8Confident75.4Confident63 Ų6358.6 Ų58.631%0.3133%0.327SS..Hα-helixtrans-70.6-34.9175.6-70.5-68.5-67.600112.6E1193 A1194 I1200 S1201E1193-M1197 VanDerWaalsContact O-CG 3.24Å; E1193-M1197 WeakPolarHBondContact O-CG 3.39Å; E1193-M1197 PolarHBondContact O-N 2.74Å; E1193-M1197 VanDerWaalsContact O-N 3.12Å; A1194-M1197 CarbonylContact O-C 3.4Å; A1194-M1197 WeakPolarHBondContact O-CA 3.37Å; A1194-M1197 WeakPolarHBondContact O-CB 3.46Å; A1194-M1197 PolarHBondContact O-N 3.12Å; M1197-I1200 PolarHBondContact O-N 3.15Å; M1197-S1201 WeakPolarHBondContact O-CB 3.09Å; M1197-S1201 PolarHBondContact O-N 2.88Å
1198D82.1Confident75.1Confident64 Ų6459.6 Ų59.634%0.34234%0.335SS..Hα-helixtrans-66.8-43176.7-64.4-30.5000110.7V1107 A1194 T1195 I1200 S1201 S1202V1107-D1198 HydrophobicContact CG1-CB 4.15Å; V1107-D1198 HydrophobicContact CG2-CB 4.28Å; A1194-D1198 VanDerWaalsContact O-CG 3.24Å; A1194-D1198 PolarHBondContact O-N 3.23Å; T1195-D1198 PolarHBondContact O-N 3.34Å; D1198-I1200 PolarHBondContact O-N 2.97Å; D1198-S1201 PolarHBondContact O-N 3.31Å; D1198-S1201 PolarHBondContact O-OG 2.76Å; D1198-S1202 PolarHBondContact O-N 3.06Å; D1198-S1202 PolarHBondContact O-OG 3.36Å
1199I84.2Confident74.7Confident17 Ų1762.2 Ų62.29%0.08735%0.349CS..Hα-helixtrans-58.5-45.7171.2-73.3166.6000111.3V1107 C1110 Y1117 V1120 L1124 T1195 S1201 S1202 T1203V1107-I1199 HydrophobicContact CB-CG1 4.27Å; V1107-I1199 HydrophobicContact CG1-CG1 4.14Å; V1107-I1199 HydrophobicContact CG2-CD1 4.47Å; V1107-I1199 HydrophobicContact CG2-CG1 4.11Å; C1110-I1199 HydrophobicContact CB-CG1 4.41Å; Y1117-I1199 HydrophobicContact CD1-CG2 4.14Å; Y1117-I1199 HydrophobicContact CE1-CG2 3.96Å; V1120-I1199 HydrophobicContact CG1-CD1 3.98Å; L1124-I1199 HydrophobicContact CD1-CD1 3.76Å; T1195-I1199 WeakPolarHBondContact O-CG1 3.34Å; T1195-I1199 PolarHBondContact O-N 3.31Å; T1195-I1199 VanDerWaalsContact O-N 3.08Å; I1199-S1201 PolarHBondContact O-N 3.4Å; I1199-S1202 PolarHBondContact O-OG 3.27Å; I1199-T1203 PolarHBondContact O-N 3.45Å; I1199-T1203 VanDerWaalsContact O-N 3.1Å; I1199-T1203 PolarHBondContact O-OG1 3.14Å
1200I81.6Confident74.3Confident66 Ų6664.5 Ų64.534%0.33836%0.361SS..Hα-helixtrans-63.4-40.3175.4-70.9169.6000111.7F1196 M1197 D1198 T1203 L1204F1196-I1200 HydrophobicContact CD1-CD1 3.72Å; F1196-I1200 HydrophobicContact CD1-CG1 4.38Å; F1196-I1200 HydrophobicContact CE1-CD1 3.95Å; F1196-I1200 WeakPolarHBondContact O-CG1 3.45Å; F1196-I1200 PolarHBondContact O-N 3Å; F1196-I1200 VanDerWaalsContact O-N 3.11Å; M1197-I1200 PolarHBondContact O-N 3.15Å; D1198-I1200 PolarHBondContact O-N 2.97Å; I1200-T1203 WeakPolarHBondContact CA-OG1 3.33Å; I1200-T1203 PolarHBondContact O-OG1 3.33Å; I1200-L1204 HydrophobicContact CG2-CD1 3.66Å; I1200-L1204 HydrophobicContact CG2-CG 4.34Å; I1200-L1204 WeakPolarHBondContact O-CB 3.41Å; I1200-L1204 VanDerWaalsContact O-CG 3.25Å; I1200-L1204 WeakPolarHBondContact O-CG 3.28Å; I1200-L1204 PolarHBondContact O-N 2.97Å
1201S78.2Confident73.8Confident51 Ų5164.7 Ų64.736%0.35737%0.368SS..Hα-helixtrans-68.3-41.2-179.475.50000112.5M1197 D1198 I1199 L1204 H1205M1197-S1201 WeakPolarHBondContact O-CB 3.09Å; M1197-S1201 PolarHBondContact O-N 2.88Å; D1198-S1201 PolarHBondContact O-N 3.31Å; D1198-S1201 PolarHBondContact O-OG 2.76Å; I1199-S1201 PolarHBondContact O-N 3.4Å; S1201-L1204 PolarHBondContact O-N 2.66Å; S1201-H1205 WeakPolarHBondContact O-CB 3.36Å; S1201-H1205 PolarHBondContact O-N 2.88Å; S1201-H1205 VanDerWaalsContact O-N 3.09Å
1202S73.3Confident73.2Confident30 Ų3067.3 Ų67.321%0.2138%0.382CS..Hα-helixtrans-67.8-36.4178.162.50000112.4D1198 I1199 H1205 G1206D1198-S1202 PolarHBondContact O-N 3.06Å; D1198-S1202 PolarHBondContact O-OG 3.36Å; I1199-S1202 PolarHBondContact O-OG 3.27Å; S1202-H1205 PolarHBondContact O-N 3.17Å; S1202-G1206 PolarHBondContact O-N 3.45Å
1203T66.4Low72.4Confident47 Ų4770.9 Ų70.929%0.28840%0.402SS..Hα-helixtrans-70.5-35.1173.143.50000113.2Y1117 I1199 I1200 H1205Y1117-T1203 HydrophobicContact CD1-CG2 4.41Å; Y1117-T1203 HydrophobicContact CE1-CG2 3.49Å; Y1117-T1203 VanDerWaalsContact CE1-CG2 3.49Å; Y1117-T1203 HydrophobicContact CE2-CG2 4.01Å; Y1117-T1203 WeakPolarHBondContact OH-CG2 3.49Å; I1199-T1203 PolarHBondContact O-N 3.45Å; I1199-T1203 VanDerWaalsContact O-N 3.1Å; I1199-T1203 PolarHBondContact O-OG1 3.14Å; I1200-T1203 WeakPolarHBondContact CA-OG1 3.33Å; I1200-T1203 PolarHBondContact O-OG1 3.33Å; T1203-H1205 VanDerWaalsContact C-N 3.3Å; T1203-H1205 PolarHBondContact O-N 3.16Å
1204L65.1Low71.7Confident113 Ų11371.9 Ų71.959%0.59241%0.412SS*.THydrogen-bonded Turntrans-79.6-4.4175.9-70174.5000114.6I1200 S1201I1200-L1204 HydrophobicContact CG2-CD1 3.66Å; I1200-L1204 HydrophobicContact CG2-CG 4.34Å; I1200-L1204 WeakPolarHBondContact O-CB 3.41Å; I1200-L1204 VanDerWaalsContact O-CG 3.25Å; I1200-L1204 WeakPolarHBondContact O-CG 3.28Å; I1200-L1204 PolarHBondContact O-N 2.97Å; S1201-L1204 PolarHBondContact O-N 2.66Å
1205H56.8Low70.8Confident146 Ų14674 Ų7468%0.67642%0.415SS*.THydrogen-bonded Turntrans-114.3-2175-68.8-10.5000113.2S1201 S1202 T1203S1201-H1205 WeakPolarHBondContact O-CB 3.36Å; S1201-H1205 PolarHBondContact O-N 2.88Å; S1201-H1205 VanDerWaalsContact O-N 3.09Å; S1202-H1205 PolarHBondContact O-N 3.17Å; T1203-H1205 VanDerWaalsContact C-N 3.3Å; T1203-H1205 PolarHBondContact O-N 3.16Å
1206G48.6Very low69.7Low67 Ų6779.8 Ų79.869%0.69145%0.447SS*.  trans-104.222.1174.400000114.8S1202S1202-G1206 PolarHBondContact O-N 3.45Å
1207L33.3Very low68.3Low216 Ų21680 Ų80100%1.13146%0.457SS*.  trans-126.70-176.8-90.8169.9000112

Retrieved 1,207 of 1,207 residues in 346.8 ms (Link to these results)

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