A0A5K4ER96_SCHMA Loading...

Sorting nexin, putative

AlphaFold DB , UniProt , Accession A0A5K4ER96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 860 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
1M79Confident89.1Confident131 Ų13141.6 Ų41.665%0.64522%0.219SC*.  0-62.20-169.1175.572.700112.1N3 L4 L5 F750M1-N3 PolarHBondContact O-N 3.05Å; M1-L4 WeakPolarHBondContact O-CA 3.38Å; M1-L4 VanDerWaalsContact O-CB 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.16Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-L5 HydrophobicContact CG-CD1 3.93Å; M1-L5 HydrophobicContact CG-CG 4.33Å; M1-L5 PolarHBondContact O-N 3.19Å; M1-F750 HydrophobicContact CB-CZ 4.17Å; M1-F750 HydrophobicContact CG-CE2 4.42Å; M1-F750 HydrophobicContact CG-CZ 3.97Å
2I86.5Confident89.3Confident40 Ų4038.3 Ų38.321%0.20520%0.201CC..Hα-helixtrans-55.6-49.2-177.4-60.3178.3000112.1L4 L5 S6 R817 V820 L824I2-L4 PolarHBondContact O-N 2.87Å; I2-L4 VanDerWaalsContact O-N 3.16Å; I2-L5 PolarHBondContact O-N 2.99Å; I2-L5 VanDerWaalsContact O-N 3.14Å; I2-S6 WeakPolarHBondContact O-CB 3.5Å; I2-S6 PolarHBondContact O-N 3.15Å; I2-S6 PolarHBondContact O-OG 3.48Å; I2-S6 VanDerWaalsContact O-OG 3.04Å; I2-R817 HydrophobicContact CG2-CG 4.08Å; I2-V820 HydrophobicContact CG1-CG1 4.48Å; I2-V820 HydrophobicContact CG2-CG1 4.21Å; I2-L824 HydrophobicContact CD1-CD2 4.4Å
3N88.6Confident89.1Confident102 Ų10236.7 Ų36.755%0.54519%0.191SC..Hα-helixtrans-59.2-28.6177.5-62.2-2.7000113.2M1 S6 D7 R817M1-N3 PolarHBondContact O-N 3.05Å; N3-S6 VanDerWaalsContact CA-OG 3.32Å; N3-S6 WeakPolarHBondContact CA-OG 3.36Å; N3-S6 PolarHBondContact O-OG 3.45Å; N3-D7 PolarHBondContact O-N 3.48Å; N3-R817 PolarHBondContact OD1-NH2 3.18Å
4L86.1Confident88.8Confident30 Ų3036 Ų3616%0.15719%0.189CC..Hα-helixtrans-76.4-47.5176.2177.574.4000110.9M1 I2 S6 D7 F10 Y749 F750M1-L4 WeakPolarHBondContact O-CA 3.38Å; M1-L4 VanDerWaalsContact O-CB 3.31Å; M1-L4 WeakPolarHBondContact O-CB 3.16Å; M1-L4 PolarHBondContact O-N 3.19Å; I2-L4 PolarHBondContact O-N 2.87Å; I2-L4 VanDerWaalsContact O-N 3.16Å; L4-S6 PolarHBondContact O-N 2.85Å; L4-D7 WeakPolarHBondContact O-CB 3.38Å; L4-D7 PolarHBondContact O-N 3.29Å; L4-F10 HydrophobicContact CD1-CB 4.27Å; L4-F10 HydrophobicContact CD1-CD2 3.55Å; L4-F10 HydrophobicContact CD1-CE2 4.21Å; L4-F10 HydrophobicContact CD1-CG 4.06Å; L4-F10 HydrophobicContact CD2-CD2 3.99Å; L4-F10 HydrophobicContact CD2-CE2 3.78Å; L4-F10 HydrophobicContact CD2-CZ 4.3Å; L4-F10 HydrophobicContact CG-CD2 3.6Å; L4-F10 HydrophobicContact CG-CE2 3.91Å; L4-F10 HydrophobicContact CG-CG 3.97Å; L4-F10 HydrophobicContact CG-CZ 4.49Å; L4-F10 WeakPolarHBondContact O-CB 3.37Å; L4-F10 WeakPolarHBondContact O-CD1 3.2Å; L4-F10 WeakPolarHBondContact O-CG 3.33Å; L4-Y749 HydrophobicContact CD1-CE1 3.47Å; L4-Y749 VanDerWaalsContact CD1-CE1 3.47Å; L4-Y749 VanDerWaalsContact CD1-OH 3.28Å; L4-Y749 WeakPolarHBondContact CD1-OH 3.45Å; L4-Y749 HydrophobicContact CD2-CD1 3.49Å; L4-Y749 VanDerWaalsContact CD2-CD1 3.49Å; L4-Y749 HydrophobicContact CD2-CE1 3.2Å; L4-Y749 HydrophobicContact CG-CE1 3.93Å; L4-F750 HydrophobicContact CD2-CE1 3.63Å; L4-F750 HydrophobicContact CD2-CE2 4.18Å; L4-F750 HydrophobicContact CD2-CZ 3.39Å
5L87.4Confident88.5Confident48 Ų4835.8 Ų35.825%0.25119%0.188SC..Hα-helixtrans-67.1-22.2179.7-63.6176.8000112M1 I2 F10 V11 V820M1-L5 HydrophobicContact CG-CD1 3.93Å; M1-L5 HydrophobicContact CG-CG 4.33Å; M1-L5 PolarHBondContact O-N 3.19Å; I2-L5 PolarHBondContact O-N 2.99Å; I2-L5 VanDerWaalsContact O-N 3.14Å; L5-F10 HydrophobicContact CD2-CD1 4.33Å; L5-F10 HydrophobicContact CD2-CE1 3.61Å; L5-F10 HydrophobicContact CD2-CZ 4.13Å; L5-V11 WeakPolarHBondContact O-CG2 3.42Å; L5-V820 HydrophobicContact CB-CG1 4.1Å; L5-V820 HydrophobicContact CB-CG2 3.63Å; L5-V820 HydrophobicContact CD1-CG1 4.09Å
6S93.1Very high87.9Confident0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-87.5-18.2174.361.50000114.4I2 N3 L4 P8 E813 N816I2-S6 WeakPolarHBondContact O-CB 3.5Å; I2-S6 PolarHBondContact O-N 3.15Å; I2-S6 PolarHBondContact O-OG 3.48Å; I2-S6 VanDerWaalsContact O-OG 3.04Å; N3-S6 VanDerWaalsContact CA-OG 3.32Å; N3-S6 WeakPolarHBondContact CA-OG 3.36Å; N3-S6 PolarHBondContact O-OG 3.45Å; L4-S6 PolarHBondContact O-N 2.85Å; S6-P8 WeakPolarHBondContact O-CD 3.46Å; S6-E813 WeakPolarHBondContact O-CG 3.48Å; S6-N816 VanDerWaalsContact O-CB 3.26Å; S6-N816 WeakPolarHBondContact O-CB 3.39Å; S6-N816 PolarHBondContact O-ND2 3.18Å; S6-N816 VanDerWaalsContact O-ND2 3.14Å
7D92.3Very high87.1Confident48 Ų4835.3 Ų35.326%0.25718%0.182SC..  trans-63.2123.4-178.1171.357.5000110.9N3 L4 D9 F10 V11N3-D7 PolarHBondContact O-N 3.48Å; L4-D7 WeakPolarHBondContact O-CB 3.38Å; L4-D7 PolarHBondContact O-N 3.29Å; D7-D9 VanDerWaalsContact C-N 3.29Å; D7-D9 PolarHBondContact O-N 3.45Å; D7-D9 WeakPolarHBondContact OD2-CB 3.46Å; D7-D9 PolarHBondContact OD2-N 3.12Å; D7-F10 HydrophobicContact CB-CB 4.08Å; D7-F10 WeakPolarHBondContact O-CB 3.26Å; D7-F10 PolarHBondContact O-N 3.18Å; D7-F10 VanDerWaalsContact O-N 3.13Å; D7-F10 PolarHBondContact OD2-N 3.2Å; D7-V11 WeakPolarHBondContact O-CG2 3.49Å; D7-V11 PolarHBondContact O-N 3.4Å
8P94.7Very high86.2Confident23 Ų2339.4 Ų39.415%0.14920%0.199CC..Hα-helixtrans-56.2-36.7-179.7-29.837.4000114.4S6 V11 N12 Q811 E813S6-P8 WeakPolarHBondContact O-CD 3.46Å; P8-V11 PolarHBondContact O-N 3.49Å; P8-N12 VanDerWaalsContact O-CB 3.28Å; P8-N12 WeakPolarHBondContact O-CB 3.3Å; P8-N12 PolarHBondContact O-N 3.47Å; P8-N12 PolarHBondContact O-ND2 3.04Å; P8-Q811 WeakPolarHBondContact CG-O 3.38Å; P8-E813 HydrophobicContact CG-CB 4.3Å
9D91.6Very high85.3Confident9 Ų938.5 Ų38.55%0.04820%0.198CC..Hα-helixtrans-66.9-45.2176.8-179.475.1000110.7D7 V11 N12 R13 R766 K771 T774D7-D9 VanDerWaalsContact C-N 3.29Å; D7-D9 PolarHBondContact O-N 3.45Å; D7-D9 WeakPolarHBondContact OD2-CB 3.46Å; D7-D9 PolarHBondContact OD2-N 3.12Å; D9-V11 VanDerWaalsContact C-N 3.33Å; D9-V11 PolarHBondContact O-N 3.27Å; D9-N12 PolarHBondContact O-N 2.91Å; D9-R13 WeakPolarHBondContact O-CG 3.15Å; D9-R13 PolarHBondContact O-N 3.27Å; D9-R13 IonicContact OD2-CZ 3.46Å; D9-R13 IonicContact OD2-NE 2.8Å; D9-R13 IonicContact OD2-NH1 2.69Å; D9-R13 PolarHBondContact OD2-NH1 3.33Å; D9-R766 IonicContact OD1-NE 3.98Å; D9-R766 VanDerWaalsContact OD2-CD 3.26Å; D9-R766 WeakPolarHBondContact OD2-CD 3.44Å; D9-R766 IonicContact OD2-NE 3.34Å; D9-R766 PolarHBondContact OD2-NE 3.25Å; D9-R766 VanDerWaalsContact OD2-NE 3.12Å; D9-K771 HydrophobicContact CB-CD 4.46Å; D9-K771 HydrophobicContact CB-CG 4.17Å; D9-K771 WeakPolarHBondContact OD1-CA 3.41Å; D9-T774 PolarHBondContact OD1-OG1 3.11Å
10F89.4Confident84.1Confident8 Ų837.1 Ų37.14%0.03519%0.192CC..Hα-helixtrans-57.5-45173.9-174.6-87.1000112.3L4 L5 D7 R13 T14 Y745 L746 Y749L4-F10 HydrophobicContact CD1-CB 4.27Å; L4-F10 HydrophobicContact CD1-CD2 3.55Å; L4-F10 HydrophobicContact CD1-CE2 4.21Å; L4-F10 HydrophobicContact CD1-CG 4.06Å; L4-F10 HydrophobicContact CD2-CD2 3.99Å; L4-F10 HydrophobicContact CD2-CE2 3.78Å; L4-F10 HydrophobicContact CD2-CZ 4.3Å; L4-F10 HydrophobicContact CG-CD2 3.6Å; L4-F10 HydrophobicContact CG-CE2 3.91Å; L4-F10 HydrophobicContact CG-CG 3.97Å; L4-F10 HydrophobicContact CG-CZ 4.49Å; L4-F10 WeakPolarHBondContact O-CB 3.37Å; L4-F10 WeakPolarHBondContact O-CD1 3.2Å; L4-F10 WeakPolarHBondContact O-CG 3.33Å; L5-F10 HydrophobicContact CD2-CD1 4.33Å; L5-F10 HydrophobicContact CD2-CE1 3.61Å; L5-F10 HydrophobicContact CD2-CZ 4.13Å; D7-F10 HydrophobicContact CB-CB 4.08Å; D7-F10 WeakPolarHBondContact O-CB 3.26Å; D7-F10 PolarHBondContact O-N 3.18Å; D7-F10 VanDerWaalsContact O-N 3.13Å; D7-F10 PolarHBondContact OD2-N 3.2Å; F10-R13 PolarHBondContact O-N 3.01Å; F10-T14 WeakPolarHBondContact CE1-OG1 3.27Å; F10-T14 WeakPolarHBondContact O-CB 3.17Å; F10-T14 PolarHBondContact O-N 3.37Å; F10-T14 PolarHBondContact O-OG1 3.48Å; F10-Y745 HydrophobicContact CE2-CE1 4.48Å; F10-Y745 HydrophobicContact CZ-CE1 4.01Å; F10-L746 HydrophobicContact CZ-CD2 4.34Å; F10-Y749 HydrophobicContact CD2-CE1 4.42Å; F10-Y749 HydrophobicContact CD2-CE2 4.22Å; F10-Y749 HydrophobicContact CE2-CD1 4.27Å; F10-Y749 HydrophobicContact CE2-CD2 4.14Å; F10-Y749 HydrophobicContact CE2-CE1 4.22Å; F10-Y749 HydrophobicContact CE2-CE2 4.08Å; F10-Y749 HydrophobicContact CE2-CG 4.23Å
11V91.8Very high82.8Confident19 Ų1941.9 Ų41.912%0.11522%0.217CC..Hα-helixtrans-60.8-49177.1171.90000110.7L5 D7 P8 D9 R13 T14 I15 L810L5-V11 WeakPolarHBondContact O-CG2 3.42Å; D7-V11 WeakPolarHBondContact O-CG2 3.49Å; D7-V11 PolarHBondContact O-N 3.4Å; P8-V11 PolarHBondContact O-N 3.49Å; D9-V11 VanDerWaalsContact C-N 3.33Å; D9-V11 PolarHBondContact O-N 3.27Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 3.13Å; V11-T14 WeakPolarHBondContact O-CB 3.08Å; V11-T14 PolarHBondContact O-N 3.12Å; V11-T14 VanDerWaalsContact O-N 3.07Å; V11-I15 HydrophobicContact CG1-CD1 3.86Å; V11-I15 WeakPolarHBondContact O-CG1 3.37Å; V11-I15 PolarHBondContact O-N 2.98Å; V11-L810 HydrophobicContact CG1-CB 4.26Å; V11-L810 HydrophobicContact CG1-CD2 3.91Å
12N91.6Very high81.6Confident1 Ų137.1 Ų37.11%0.00520%0.197CC..Hα-helixtrans-58.4-42.8178.4-72.4-28.9000112.3P8 D9 T14 I15 A16 T774 C778 Q811P8-N12 VanDerWaalsContact O-CB 3.28Å; P8-N12 WeakPolarHBondContact O-CB 3.3Å; P8-N12 PolarHBondContact O-N 3.47Å; P8-N12 PolarHBondContact O-ND2 3.04Å; D9-N12 PolarHBondContact O-N 2.91Å; N12-T14 VanDerWaalsContact C-N 3.33Å; N12-I15 PolarHBondContact O-N 3.19Å; N12-A16 WeakPolarHBondContact O-CB 3.43Å; N12-A16 PolarHBondContact O-N 3.49Å; N12-T774 HydrophobicContact CB-CG2 3.89Å; N12-C778 HydrophobicContact CB-CB 3.82Å; N12-C778 PolarHBondContact OD1-SG 2.79Å; N12-Q811 PolarHBondContact ND2-OE1 3.38Å; N12-Q811 PolarHBondContact OD1-NE2 2.98Å
13R86.7Confident79.9Confident18 Ų1837.8 Ų37.87%0.06821%0.209CC..Hα-helixtrans-64.6-40.1175.2-67.7-175-41.2-133.814.3112D9 F10 V11 A16 W17 L619 Y749 T774D9-R13 WeakPolarHBondContact O-CG 3.15Å; D9-R13 PolarHBondContact O-N 3.27Å; D9-R13 IonicContact OD2-CZ 3.46Å; D9-R13 IonicContact OD2-NE 2.8Å; D9-R13 IonicContact OD2-NH1 2.69Å; D9-R13 PolarHBondContact OD2-NH1 3.33Å; F10-R13 PolarHBondContact O-N 3.01Å; V11-R13 VanDerWaalsContact C-N 3.33Å; V11-R13 PolarHBondContact O-N 3.13Å; R13-A16 PolarHBondContact O-N 2.75Å; R13-W17 VanDerWaalsContact O-CB 3.28Å; R13-W17 WeakPolarHBondContact O-CB 3.27Å; R13-W17 PolarHBondContact O-N 3.39Å; R13-L619 HydrophobicContact CG-CD1 4.4Å; R13-Y749 PolarHBondContact NH2-OH 2.99Å; R13-Y749 VanDerWaalsContact NH2-OH 3.09Å; R13-T774 HydrophobicContact CG-CG2 3.61Å
14T84Confident78.6Confident27 Ų2736 Ų3617%0.16620%0.195CC..Hα-helixtrans-64.2-43.9-179.9-58.20000110.1F10 V11 N12 W17 F18F10-T14 WeakPolarHBondContact CE1-OG1 3.27Å; F10-T14 WeakPolarHBondContact O-CB 3.17Å; F10-T14 PolarHBondContact O-N 3.37Å; F10-T14 PolarHBondContact O-OG1 3.48Å; V11-T14 WeakPolarHBondContact O-CB 3.08Å; V11-T14 PolarHBondContact O-N 3.12Å; V11-T14 VanDerWaalsContact O-N 3.07Å; N12-T14 VanDerWaalsContact C-N 3.33Å; T14-W17 WeakPolarHBondContact O-CB 3.42Å; T14-W17 PolarHBondContact O-N 3.36Å; T14-F18 HydrophobicContact CG2-CD2 3.63Å; T14-F18 HydrophobicContact CG2-CE2 3.53Å; T14-F18 WeakPolarHBondContact O-CD2 3.35Å; T14-F18 PolarHBondContact O-N 2.81Å
15I84.1Confident77.9Confident33 Ų3336 Ų3617%0.16920%0.196CC..Hα-helixtrans-62.2-49.5174.7-67.6166.9000111.1V11 N12 W17 F18 A19 L782 L810V11-I15 HydrophobicContact CG1-CD1 3.86Å; V11-I15 WeakPolarHBondContact O-CG1 3.37Å; V11-I15 PolarHBondContact O-N 2.98Å; N12-I15 PolarHBondContact O-N 3.19Å; I15-W17 PolarHBondContact O-N 3.31Å; I15-F18 PolarHBondContact O-N 3.35Å; I15-A19 PolarHBondContact O-N 3.46Å; I15-L782 HydrophobicContact CG2-CD2 3.96Å; I15-L782 HydrophobicContact CG2-CG 4.25Å; I15-L810 HydrophobicContact CD1-CD1 3.46Å; I15-L810 VanDerWaalsContact CD1-CD1 3.46Å; I15-L810 HydrophobicContact CD1-CD2 4.49Å; I15-L810 HydrophobicContact CD1-CG 4.48Å
16A79.7Confident77.2Confident9 Ų934.9 Ų34.97%0.07419%0.193CC..Hα-helixtrans-60.3-3317800000112.6N12 R13 S20 Y24 L777 V781N12-A16 WeakPolarHBondContact O-CB 3.43Å; N12-A16 PolarHBondContact O-N 3.49Å; R13-A16 PolarHBondContact O-N 2.75Å; A16-S20 PolarHBondContact O-N 3.07Å; A16-S20 VanDerWaalsContact O-N 3.16Å; A16-Y24 PolarHBondContact O-OH 2.65Å; A16-L777 HydrophobicContact CB-CD2 3.89Å; A16-L777 HydrophobicContact CB-CG 4.1Å; A16-V781 HydrophobicContact CB-CG2 4.08Å
17W75Confident76.5Confident54 Ų5441.7 Ų41.721%0.20522%0.224CC..Hα-helixtrans-69-49.2174179.882.4000111.9R13 T14 I15 A19 S20 I626R13-W17 VanDerWaalsContact O-CB 3.28Å; R13-W17 WeakPolarHBondContact O-CB 3.27Å; R13-W17 PolarHBondContact O-N 3.39Å; T14-W17 WeakPolarHBondContact O-CB 3.42Å; T14-W17 PolarHBondContact O-N 3.36Å; I15-W17 PolarHBondContact O-N 3.31Å; W17-A19 VanDerWaalsContact C-N 3.34Å; W17-A19 PolarHBondContact O-N 3.18Å; W17-S20 WeakPolarHBondContact O-CB 3.14Å; W17-S20 PolarHBondContact O-N 2.91Å; W17-S20 PolarHBondContact O-OG 3.4Å; W17-I626 VanDerWaalsContact CD1-CD1 3.49Å
18F70.1Confident76Confident109 Ų10941.9 Ų41.948%0.47822%0.222SC..Hα-helixtrans-65.2-37.3-179.1-88.7-69.1000113.1T14 I15 L742T14-F18 HydrophobicContact CG2-CD2 3.63Å; T14-F18 HydrophobicContact CG2-CE2 3.53Å; T14-F18 WeakPolarHBondContact O-CD2 3.35Å; T14-F18 PolarHBondContact O-N 2.81Å; I15-F18 PolarHBondContact O-N 3.35Å; F18-L742 HydrophobicContact CZ-CD1 4.44Å
19A68.4Low75.6Confident22 Ų2241.9 Ų41.918%0.18222%0.22CC..THydrogen-bonded Turntrans-103.127.4-179.200000111.5I15 W17 D21 S22 Y24 V781I15-A19 PolarHBondContact O-N 3.46Å; W17-A19 VanDerWaalsContact C-N 3.34Å; W17-A19 PolarHBondContact O-N 3.18Å; A19-D21 PolarHBondContact O-N 3.33Å; A19-S22 WeakPolarHBondContact CB-OG 3.48Å; A19-S22 PolarHBondContact O-N 3.22Å; A19-S22 PolarHBondContact O-OG 3.48Å; A19-Y24 PolarHBondContact O-OH 3.5Å; A19-V781 HydrophobicContact CB-CG1 3.15Å; A19-V781 WeakPolarHBondContact O-CG1 3.46Å
20S62.7Low75.2Confident11 Ų1142 Ų428%0.07722%0.221CC..SBendtrans-64.5-22.7171.156.10000113.2A16 W17 Y24A16-S20 PolarHBondContact O-N 3.07Å; A16-S20 VanDerWaalsContact O-N 3.16Å; W17-S20 WeakPolarHBondContact O-CB 3.14Å; W17-S20 PolarHBondContact O-N 2.91Å; W17-S20 PolarHBondContact O-OG 3.4Å; S20-Y24 WeakPolarHBondContact CA-OH 3.48Å; S20-Y24 WeakPolarHBondContact O-CE2 3.43Å
21D56.9Low75Confident137 Ų13744.2 Ų44.273%0.73323%0.231SC*.SBendtrans-83.7-22.3175.8-67.7-33.4000113.2A19A19-D21 PolarHBondContact O-N 3.33Å
22S53.3Low74.8Confident31 Ų3143.3 Ų43.322%0.21723%0.226CC..SBendtrans-75.2137.4179.356.80000111.3A19 Y24A19-S22 WeakPolarHBondContact CB-OG 3.48Å; A19-S22 PolarHBondContact O-N 3.22Å; A19-S22 PolarHBondContact O-OG 3.48Å; S22-Y24 WeakPolarHBondContact O-CD2 3.33Å; S22-Y24 WeakPolarHBondContact O-CE2 3.36Å; S22-Y24 PolarHBondContact O-N 2.94Å
23A50.5Low74.6Confident55 Ų5543.2 Ų43.246%0.45523%0.226SC..  trans-56102-169.700000113.4T25A23-T25 PolarHBondContact O-N 2.63Å; A23-T25 VanDerWaalsContact O-N 3.13Å
24Y62.2Low74.7Confident63 Ų6347.2 Ų47.225%0.24724%0.24CC..  trans-69.4103.5163.8-60.9-78.3000109.6A16 A19 S20 S22 L777 T780 V781A16-Y24 PolarHBondContact O-OH 2.65Å; A19-Y24 PolarHBondContact O-OH 3.5Å; S20-Y24 WeakPolarHBondContact CA-OH 3.48Å; S20-Y24 WeakPolarHBondContact O-CE2 3.43Å; S22-Y24 WeakPolarHBondContact O-CD2 3.33Å; S22-Y24 WeakPolarHBondContact O-CE2 3.36Å; S22-Y24 PolarHBondContact O-N 2.94Å; Y24-L777 HydrophobicContact CD1-CD1 4.36Å; Y24-L777 HydrophobicContact CE1-CD1 3.9Å; Y24-T780 HydrophobicContact CD1-CG2 4.31Å; Y24-V781 HydrophobicContact CE1-CB 3.99Å; Y24-V781 HydrophobicContact CE1-CG1 4.07Å; Y24-V781 HydrophobicContact CE1-CG2 3.41Å; Y24-V781 VanDerWaalsContact CE1-CG2 3.41Å; Y24-V781 WeakPolarHBondContact OH-CG1 3.32Å; Y24-V781 WeakPolarHBondContact OH-CG2 3.27Å
25T70.5Confident74.8Confident31 Ų3146.2 Ų46.219%0.1923%0.234CC..  trans-97.6152.1169.974.60000110.4A23 E27 Y28 F29A23-T25 PolarHBondContact O-N 2.63Å; A23-T25 VanDerWaalsContact O-N 3.13Å; T25-E27 PolarHBondContact O-N 3.35Å; T25-Y28 HydrophobicContact CG2-CD2 4Å; T25-Y28 HydrophobicContact CG2-CE2 3.95Å; T25-Y28 PolarHBondContact O-N 3.07Å; T25-Y28 WeakPolarHBondContact OG1-CD2 3.34Å; T25-Y28 PolarHBondContact OG1-N 3Å; T25-Y28 VanDerWaalsContact OG1-N 3.17Å; T25-F29 PolarHBondContact O-N 3.15Å
26S73.1Confident75.1Confident25 Ų2544.7 Ų44.718%0.17523%0.226CC..Hα-helixtrans-60.9-26.3172.348.60000112.4C30S26-C30 PolarHBondContact O-N 2.96Å; S26-C30 PolarHBondContact O-SG 3.25Å
27E77.6Confident75.5Confident142 Ų14250.1 Ų50.166%0.66425%0.25SC*.Hα-helixtrans-69.2-50.6177.9-176.1170.6-172.600111.6T25 F29 C30 Q31T25-E27 PolarHBondContact O-N 3.35Å; E27-F29 PolarHBondContact O-N 3.48Å; E27-C30 PolarHBondContact O-N 3.14Å; E27-C30 VanDerWaalsContact O-N 3.15Å; E27-Q31 WeakPolarHBondContact O-CB 3.44Å; E27-Q31 PolarHBondContact O-N 3.35Å
28Y82.6Confident76.3Confident53 Ų5348.5 Ų48.521%0.20825%0.247CC..Hα-helixtrans-61-34.2175.2-62.6-45.5000112.1T25 Q31 A32 L783T25-Y28 HydrophobicContact CG2-CD2 4Å; T25-Y28 HydrophobicContact CG2-CE2 3.95Å; T25-Y28 PolarHBondContact O-N 3.07Å; T25-Y28 WeakPolarHBondContact OG1-CD2 3.34Å; T25-Y28 PolarHBondContact OG1-N 3Å; T25-Y28 VanDerWaalsContact OG1-N 3.17Å; Y28-Q31 PolarHBondContact O-N 3.21Å; Y28-A32 WeakPolarHBondContact O-CB 3.44Å; Y28-A32 PolarHBondContact O-N 2.87Å; Y28-L783 HydrophobicContact CD1-CB 3.85Å; Y28-L783 HydrophobicContact CG-CB 4.11Å; Y28-L783 WeakPolarHBondContact O-CD1 3.43Å
29F85.3Confident77.5Confident23 Ų2345.6 Ų45.610%0.10124%0.236CC..Hα-helixtrans-65.2-48.1174.5176.2-110.2000111.8T25 E27 Q31 A32 L33 V79 V608 M612 V776 T780T25-F29 PolarHBondContact O-N 3.15Å; E27-F29 PolarHBondContact O-N 3.48Å; F29-Q31 PolarHBondContact O-N 3.5Å; F29-A32 PolarHBondContact O-N 2.95Å; F29-L33 HydrophobicContact CD1-CD1 4.19Å; F29-L33 HydrophobicContact CE1-CD1 3.67Å; F29-L33 HydrophobicContact CE2-CD1 4.36Å; F29-L33 HydrophobicContact CE2-CG 4.47Å; F29-L33 HydrophobicContact CZ-CD1 3.77Å; F29-L33 HydrophobicContact CZ-CG 4.34Å; F29-L33 WeakPolarHBondContact O-CG 3.21Å; F29-L33 PolarHBondContact O-N 3.13Å; F29-L33 VanDerWaalsContact O-N 3.13Å; F29-V79 HydrophobicContact CE1-CG1 3.86Å; F29-V608 HydrophobicContact CD1-CG1 4.23Å; F29-V608 HydrophobicContact CE1-CG1 3.73Å; F29-M612 HydrophobicContact CD2-CE 4.49Å; F29-M612 HydrophobicContact CD2-SD 3.85Å; F29-M612 HydrophobicContact CE2-CE 3.9Å; F29-M612 HydrophobicContact CE2-CG 4.37Å; F29-M612 HydrophobicContact CE2-SD 3.4Å; F29-M612 WeakPolarHBondContact CE2-SD 3.2Å; F29-M612 HydrophobicContact CZ-SD 4.26Å; F29-V776 HydrophobicContact CD2-CG1 4.1Å; F29-V776 HydrophobicContact CE2-CG1 3.63Å; F29-T780 HydrophobicContact CB-CG2 3.98Å
30C84.1Confident78.7Confident12 Ų1249.3 Ų49.38%0.08125%0.25CC..Hα-helixtrans-59.5-38.7174.9-69.90000111.4S26 E27 L33 R34 I82S26-C30 PolarHBondContact O-N 2.96Å; S26-C30 PolarHBondContact O-SG 3.25Å; E27-C30 PolarHBondContact O-N 3.14Å; E27-C30 VanDerWaalsContact O-N 3.15Å; C30-L33 WeakPolarHBondContact O-CB 3.46Å; C30-L33 PolarHBondContact O-N 3.03Å; C30-R34 WeakPolarHBondContact O-CG 3.26Å; C30-R34 PolarHBondContact O-N 3.12Å; C30-I82 HydrophobicContact CB-CD1 3.89Å
31Q84Confident80.2Confident53 Ų5348.8 Ų48.825%0.24825%0.246CC..Hα-helixtrans-68.9-42.6178.9-168.764.20.300112.3E27 Y28 F29 L33 R34 M35 L783E27-Q31 WeakPolarHBondContact O-CB 3.44Å; E27-Q31 PolarHBondContact O-N 3.35Å; Y28-Q31 PolarHBondContact O-N 3.21Å; F29-Q31 PolarHBondContact O-N 3.5Å; Q31-L33 PolarHBondContact O-N 2.8Å; Q31-R34 WeakPolarHBondContact O-CB 3.43Å; Q31-R34 PolarHBondContact O-N 3.35Å; Q31-M35 HydrophobicContact CG-SD 4.29Å; Q31-M35 VanDerWaalsContact O-CG 3.27Å; Q31-M35 WeakPolarHBondContact O-CG 3.38Å; Q31-M35 PolarHBondContact O-N 3.2Å; Q31-L783 HydrophobicContact CB-CD1 3.99Å; Q31-L783 HydrophobicContact CG-CD1 4.03Å
32A87.4Confident82Confident0 Ų042.3 Ų42.30%021%0.211CC..Hα-helixtrans-57.7-36.6173.600000112Y28 F29 M35 S36 R779 T780 L783Y28-A32 WeakPolarHBondContact O-CB 3.44Å; Y28-A32 PolarHBondContact O-N 2.87Å; F29-A32 PolarHBondContact O-N 2.95Å; A32-M35 PolarHBondContact O-N 2.84Å; A32-S36 PolarHBondContact O-N 2.81Å; A32-R779 HydrophobicContact CB-CB 3.84Å; A32-T780 VanDerWaalsContact CB-OG1 3.32Å; A32-T780 WeakPolarHBondContact CB-OG1 3.44Å; A32-L783 HydrophobicContact CB-CD1 4.11Å
33L89.2Confident84.1Confident0 Ų043.2 Ų43.20%021%0.214CC..Hα-helixtrans-68.4-42.1173.7-66.1171.2000112.1F29 C30 Q31 M35 S36 I42 V45 V79 I82 V776F29-L33 HydrophobicContact CD1-CD1 4.19Å; F29-L33 HydrophobicContact CE1-CD1 3.67Å; F29-L33 HydrophobicContact CE2-CD1 4.36Å; F29-L33 HydrophobicContact CE2-CG 4.47Å; F29-L33 HydrophobicContact CZ-CD1 3.77Å; F29-L33 HydrophobicContact CZ-CG 4.34Å; F29-L33 WeakPolarHBondContact O-CG 3.21Å; F29-L33 PolarHBondContact O-N 3.13Å; F29-L33 VanDerWaalsContact O-N 3.13Å; C30-L33 WeakPolarHBondContact O-CB 3.46Å; C30-L33 PolarHBondContact O-N 3.03Å; Q31-L33 PolarHBondContact O-N 2.8Å; L33-M35 PolarHBondContact O-N 2.99Å; L33-S36 WeakPolarHBondContact O-CB 3.27Å; L33-S36 PolarHBondContact O-N 3.32Å; L33-I42 HydrophobicContact CD2-CD1 4.25Å; L33-V45 HydrophobicContact CD1-CG1 4.39Å; L33-V45 HydrophobicContact CD2-CB 4.27Å; L33-V45 HydrophobicContact CD2-CG1 3.96Å; L33-V45 HydrophobicContact CD2-CG2 3.91Å; L33-V79 HydrophobicContact CD1-CG1 3.63Å; L33-I82 HydrophobicContact CB-CG2 4.32Å; L33-V776 HydrophobicContact CD2-CG1 3.83Å; L33-V776 HydrophobicContact CD2-CG2 4.41Å; L33-V776 HydrophobicContact CG-CG1 4.4Å
34R87.3Confident86.1Confident101 Ų10140.9 Ų40.938%0.38119%0.194SC..Hα-helixtrans-62.4-32.3175.5-70172-172.1-89.32.4112.4C30 Q31 I82 R86C30-R34 WeakPolarHBondContact O-CG 3.26Å; C30-R34 PolarHBondContact O-N 3.12Å; Q31-R34 WeakPolarHBondContact O-CB 3.43Å; Q31-R34 PolarHBondContact O-N 3.35Å; R34-I82 HydrophobicContact CG-CG2 3.74Å; R34-R86 VanDerWaalsContact O-CD 3.29Å; R34-R86 WeakPolarHBondContact O-CD 3.28Å; R34-R86 PolarHBondContact O-NE 3.4Å
35M87Confident87.6Confident7 Ų738.4 Ų38.43%0.03419%0.185CC..Hα-helixtrans-81.2-14.1177.5-65.417072.900113.9Q31 A32 L33 E37 L783 R800Q31-M35 HydrophobicContact CG-SD 4.29Å; Q31-M35 VanDerWaalsContact O-CG 3.27Å; Q31-M35 WeakPolarHBondContact O-CG 3.38Å; Q31-M35 PolarHBondContact O-N 3.2Å; A32-M35 PolarHBondContact O-N 2.84Å; L33-M35 PolarHBondContact O-N 2.99Å; M35-E37 PolarHBondContact O-N 3.04Å; M35-L783 HydrophobicContact SD-CD1 3.83Å; M35-L783 HydrophobicContact SD-CD2 3.95Å; M35-L783 HydrophobicContact SD-CG 4.31Å; M35-R800 HydrophobicContact CE-CG 3.48Å; M35-R800 VanDerWaalsContact CE-CG 3.48Å; M35-R800 WeakPolarHBondContact CE-O 3.12Å; M35-R800 HydrophobicContact CG-CG 3.66Å; M35-R800 HydrophobicContact SD-CG 3.44Å; M35-R800 WeakPolarHBondContact SD-CG 3.17Å
36S90.5Very high88.7Confident0 Ų037.5 Ų37.50%018%0.179CC..  trans-61.2135.7-176.1-168.40000111A32 L33 E41 R86 I90A32-S36 PolarHBondContact O-N 2.81Å; L33-S36 WeakPolarHBondContact O-CB 3.27Å; L33-S36 PolarHBondContact O-N 3.32Å; S36-E41 WeakPolarHBondContact CB-OE1 3.31Å; S36-E41 VanDerWaalsContact OG-CD 3.24Å; S36-E41 PolarHBondContact OG-OE1 3.09Å; S36-R86 VanDerWaalsContact O-CZ 3.31Å; S36-R86 PolarHBondContact O-NE 3.47Å; S36-R86 PolarHBondContact O-NH2 3.29Å; S36-I90 WeakPolarHBondContact O-CD1 3.38Å
37E88.4Confident89.6Confident123 Ų12342 Ų4258%0.57519%0.192SC*.  trans-105.7-2.7176.4-63.1177.1-176.800112.1M35M35-E37 PolarHBondContact O-N 3.04Å
38S91.8Very high90.1Very high20 Ų2037.2 Ų37.214%0.1417%0.17CC..  trans-103.1120.8-178.3167.10000110.8E40 E41 I42S38-E40 VanDerWaalsContact C-N 3.28Å; S38-E40 PolarHBondContact O-N 3.04Å; S38-E40 PolarHBondContact OG-N 3.42Å; S38-E40 PolarHBondContact OG-OE2 3.39Å; S38-E41 PolarHBondContact O-N 3.29Å; S38-E41 PolarHBondContact OG-N 3.03Å; S38-E41 VanDerWaalsContact OG-N 3.09Å; S38-I42 WeakPolarHBondContact O-CG1 3.45Å; S38-I42 PolarHBondContact O-N 3.01Å
39I94Very high90.5Very high48 Ų4835 Ų3525%0.24616%0.161CC..Hα-helixtrans-61.6-41.1173.6-66.4170.9000109.9E41 I42 D43 R87 I90 Q91I39-E41 VanDerWaalsContact C-N 3.32Å; I39-E41 PolarHBondContact O-N 2.92Å; I39-I42 PolarHBondContact O-N 2.98Å; I39-D43 WeakPolarHBondContact CG2-OD2 3.49Å; I39-D43 WeakPolarHBondContact O-CB 3.35Å; I39-D43 PolarHBondContact O-N 3.01Å; I39-R87 HydrophobicContact CG2-CG 4.19Å; I39-I90 HydrophobicContact CD1-CB 4.5Å; I39-I90 HydrophobicContact CD1-CG2 3.92Å; I39-I90 HydrophobicContact CG1-CB 4.03Å; I39-I90 HydrophobicContact CG1-CD1 4.43Å; I39-I90 HydrophobicContact CG1-CG2 3.6Å; I39-Q91 HydrophobicContact CD1-CG 3.81Å
40E95.1Very high90.8Very high101 Ų10136.4 Ų36.447%0.47217%0.17SC..Hα-helixtrans-63-39.7-179.8-56.183.217500112.1S38 D43 V44 L772S38-E40 VanDerWaalsContact C-N 3.28Å; S38-E40 PolarHBondContact O-N 3.04Å; S38-E40 PolarHBondContact OG-N 3.42Å; S38-E40 PolarHBondContact OG-OE2 3.39Å; E40-D43 PolarHBondContact O-N 2.84Å; E40-V44 WeakPolarHBondContact O-CB 3.26Å; E40-V44 WeakPolarHBondContact O-CG2 3.44Å; E40-V44 PolarHBondContact O-N 3.26Å; E40-L772 HydrophobicContact CB-CD1 3.94Å
41E93.7Very high90.9Very high0 Ų038.3 Ų38.30%018%0.184CC..Hα-helixtrans-62-45.7176.1-167.6-176.8105.600111.2S36 S38 I39 V44 V45 L772 R775 V776 R779S36-E41 WeakPolarHBondContact CB-OE1 3.31Å; S36-E41 VanDerWaalsContact OG-CD 3.24Å; S36-E41 PolarHBondContact OG-OE1 3.09Å; S38-E41 PolarHBondContact O-N 3.29Å; S38-E41 PolarHBondContact OG-N 3.03Å; S38-E41 VanDerWaalsContact OG-N 3.09Å; I39-E41 VanDerWaalsContact C-N 3.32Å; I39-E41 PolarHBondContact O-N 2.92Å; E41-V44 PolarHBondContact O-N 3.44Å; E41-V45 WeakPolarHBondContact O-CG2 3.29Å; E41-V45 PolarHBondContact O-N 3.24Å; E41-L772 HydrophobicContact CB-CD2 4.02Å; E41-L772 HydrophobicContact CG-CD2 4.45Å; E41-R775 IonicContact OE2-CZ 3.95Å; E41-R775 IonicContact OE2-NE 3.18Å; E41-R775 PolarHBondContact OE2-NE 3.23Å; E41-R775 IonicContact OE2-NH2 3.47Å; E41-V776 HydrophobicContact CG-CG2 3.43Å; E41-V776 VanDerWaalsContact CG-CG2 3.43Å; E41-V776 WeakPolarHBondContact OE1-CG2 3.27Å; E41-R779 IonicContact OE1-CZ 3.91Å; E41-R779 IonicContact OE1-NH1 2.83Å; E41-R779 PolarHBondContact OE1-NH1 2.94Å; E41-R779 IonicContact OE1-NH2 3.12Å; E41-R779 PolarHBondContact OE1-NH2 3.13Å; E41-R779 IonicContact OE2-CZ 3.78Å; E41-R779 IonicContact OE2-NH1 3.81Å; E41-R779 PolarHBondContact OE2-NH1 3Å; E41-R779 IonicContact OE2-NH2 2.6Å; E41-R779 PolarHBondContact OE2-NH2 2.75Å
42I95Very high90.9Very high0 Ų038.1 Ų38.10%018%0.182CC..Hα-helixtrans-64.9-44176.4-66.5-61.8000111.7L33 S38 I39 V44 V45 I46 C83 R86 R87 I90L33-I42 HydrophobicContact CD2-CD1 4.25Å; S38-I42 WeakPolarHBondContact O-CG1 3.45Å; S38-I42 PolarHBondContact O-N 3.01Å; I39-I42 PolarHBondContact O-N 2.98Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 2.79Å; I42-V45 PolarHBondContact O-N 2.83Å; I42-I46 HydrophobicContact CG2-CD1 3.8Å; I42-I46 HydrophobicContact CG2-CG1 4.38Å; I42-I46 WeakPolarHBondContact O-CG1 3.04Å; I42-I46 PolarHBondContact O-N 3.39Å; I42-C83 HydrophobicContact CG2-CB 3.85Å; I42-C83 VanDerWaalsContact CG2-O 3.3Å; I42-C83 WeakPolarHBondContact CG2-O 3.48Å; I42-R86 HydrophobicContact CD1-CG 4.34Å; I42-R87 HydrophobicContact CG2-CB 3.93Å; I42-I90 HydrophobicContact CG1-CD1 4.48Å
43D96.1Very high90.9Very high51 Ų5138.3 Ų38.327%0.27318%0.183SC..Hα-helixtrans-65.6-35.4-179.6-79.2-29.1000112.3I39 E40 I46 R47 R87I39-D43 WeakPolarHBondContact CG2-OD2 3.49Å; I39-D43 WeakPolarHBondContact O-CB 3.35Å; I39-D43 PolarHBondContact O-N 3.01Å; E40-D43 PolarHBondContact O-N 2.84Å; D43-I46 PolarHBondContact O-N 2.82Å; D43-R47 WeakPolarHBondContact O-CB 3.36Å; D43-R47 PolarHBondContact O-N 3.15Å; D43-R87 WeakPolarHBondContact OD1-CD 3.45Å; D43-R87 IonicContact OD1-CZ 3.97Å; D43-R87 IonicContact OD1-NE 3.29Å; D43-R87 IonicContact OD1-NH1 3.34Å; D43-R87 PolarHBondContact OD1-NH1 3.16Å
44V93.6Very high90.8Very high5 Ų542.6 Ų42.63%0.0321%0.206CC..Hα-helixtrans-60.3-46.9171.3159.60000111.1E40 E41 I42 I46 R47 Q48 E769 L772 R773E40-V44 WeakPolarHBondContact O-CB 3.26Å; E40-V44 WeakPolarHBondContact O-CG2 3.44Å; E40-V44 PolarHBondContact O-N 3.26Å; E41-V44 PolarHBondContact O-N 3.44Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 2.79Å; V44-I46 PolarHBondContact O-N 3.34Å; V44-R47 PolarHBondContact O-N 2.82Å; V44-Q48 PolarHBondContact O-N 3.32Å; V44-E769 HydrophobicContact CG1-CG 3.69Å; V44-E769 HydrophobicContact CG2-CB 4.13Å; V44-E769 HydrophobicContact CG2-CG 4.04Å; V44-L772 HydrophobicContact CB-CB 4.5Å; V44-L772 HydrophobicContact CG1-CB 4.47Å; V44-L772 HydrophobicContact CG2-CB 4.29Å; V44-L772 HydrophobicContact CG2-CD1 3.69Å; V44-R773 HydrophobicContact CG1-CG 3.54Å
45V92.7Very high90.7Very high11 Ų1144.1 Ų44.17%0.06722%0.215CC..Hα-helixtrans-63.5-43.5178.3175.90000110.7L33 E41 I42 R47 Q48 L49 V776L33-V45 HydrophobicContact CD1-CG1 4.39Å; L33-V45 HydrophobicContact CD2-CB 4.27Å; L33-V45 HydrophobicContact CD2-CG1 3.96Å; L33-V45 HydrophobicContact CD2-CG2 3.91Å; E41-V45 WeakPolarHBondContact O-CG2 3.29Å; E41-V45 PolarHBondContact O-N 3.24Å; I42-V45 PolarHBondContact O-N 2.83Å; V45-R47 VanDerWaalsContact C-N 3.34Å; V45-R47 PolarHBondContact O-N 3.5Å; V45-Q48 PolarHBondContact O-N 3.14Å; V45-L49 HydrophobicContact CG1-CD1 3.92Å; V45-L49 HydrophobicContact CG1-CG 4.27Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.48Å; V45-L49 PolarHBondContact O-N 3.28Å; V45-V776 HydrophobicContact CG2-CG2 4.04Å
46I93.7Very high90.4Very high13 Ų1344.6 Ų44.67%0.06722%0.218CC..Hα-helixtrans-58.8-45176.1-69.4168.2000111.1I42 D43 V44 Q48 L49 N50 C83 L84I42-I46 HydrophobicContact CG2-CD1 3.8Å; I42-I46 HydrophobicContact CG2-CG1 4.38Å; I42-I46 WeakPolarHBondContact O-CG1 3.04Å; I42-I46 PolarHBondContact O-N 3.39Å; D43-I46 PolarHBondContact O-N 2.82Å; V44-I46 PolarHBondContact O-N 3.34Å; I46-Q48 VanDerWaalsContact C-N 3.33Å; I46-Q48 PolarHBondContact O-N 3.29Å; I46-L49 PolarHBondContact O-N 3.46Å; I46-N50 WeakPolarHBondContact O-CB 3.38Å; I46-N50 PolarHBondContact O-N 2.77Å; I46-N50 PolarHBondContact O-ND2 3.31Å; I46-N50 PolarHBondContact O-OD1 3.34Å; I46-C83 HydrophobicContact CD1-CB 3.82Å; I46-C83 HydrophobicContact CG1-CB 3.49Å; I46-C83 VanDerWaalsContact CG1-CB 3.49Å; I46-L84 HydrophobicContact CD1-CD2 3.97Å; I46-L84 HydrophobicContact CD1-CG 4.42Å
47R92.5Very high90.1Very high119 Ų11950.7 Ų50.745%0.44924%0.241SC..Hα-helixtrans-60.9-43.7178.9-166.1-173.9-48.3110.712.9111.5D43 V44 V45 N50 S51 E769D43-R47 WeakPolarHBondContact O-CB 3.36Å; D43-R47 PolarHBondContact O-N 3.15Å; V44-R47 PolarHBondContact O-N 2.82Å; V45-R47 VanDerWaalsContact C-N 3.34Å; V45-R47 PolarHBondContact O-N 3.5Å; R47-N50 PolarHBondContact O-N 3.01Å; R47-S51 WeakPolarHBondContact O-CB 3.31Å; R47-S51 PolarHBondContact O-N 3.21Å; R47-E769 IonicContact CZ-OE2 3.42Å; R47-E769 IonicContact NH1-OE1 3.24Å; R47-E769 PolarHBondContact NH1-OE1 3.41Å; R47-E769 IonicContact NH1-OE2 3.74Å; R47-E769 PolarHBondContact NH1-OE2 3.39Å
48Q89.1Confident89.7Confident41 Ų4148.1 Ų48.119%0.19225%0.247CC..Hα-helixtrans-65.9-42.5177.9-170.264.9300112.1V44 V45 I46 S51 F52 A611 S614V44-Q48 PolarHBondContact O-N 3.32Å; V45-Q48 PolarHBondContact O-N 3.14Å; I46-Q48 VanDerWaalsContact C-N 3.33Å; I46-Q48 PolarHBondContact O-N 3.29Å; Q48-S51 PolarHBondContact O-N 2.87Å; Q48-F52 WeakPolarHBondContact O-CB 3.34Å; Q48-F52 PolarHBondContact O-N 2.76Å; Q48-A611 WeakPolarHBondContact CG-O 3.32Å; Q48-A611 PolarHBondContact NE2-O 3.18Å; Q48-S614 PolarHBondContact NE2-OG 3.48Å
49L89.7Confident89Confident6 Ų653.5 Ų53.53%0.03127%0.27CS..Hα-helixtrans-60.5-45173.9-71.5170.9000111.2V45 I46 F52 M53 L76 V79 R80V45-L49 HydrophobicContact CG1-CD1 3.92Å; V45-L49 HydrophobicContact CG1-CG 4.27Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.48Å; V45-L49 PolarHBondContact O-N 3.28Å; I46-L49 PolarHBondContact O-N 3.46Å; L49-F52 PolarHBondContact O-N 3.17Å; L49-M53 WeakPolarHBondContact O-CB 3.35Å; L49-M53 VanDerWaalsContact O-CG 3.22Å; L49-M53 WeakPolarHBondContact O-CG 3.33Å; L49-M53 PolarHBondContact O-N 2.91Å; L49-L76 HydrophobicContact CD2-CD2 3.48Å; L49-L76 VanDerWaalsContact CD2-CD2 3.48Å; L49-V79 HydrophobicContact CD1-CB 4.21Å; L49-V79 HydrophobicContact CD1-CG1 3.76Å; L49-V79 HydrophobicContact CD2-CG1 4.34Å; L49-R80 HydrophobicContact CD1-CB 4.28Å
50N91.4Very high88Confident54 Ų5453.6 Ų53.629%0.28927%0.271SS..Hα-helixtrans-61.5-49.8177.6-69-13.8000111.6I46 R47 F52 M53 D54 R80I46-N50 WeakPolarHBondContact O-CB 3.38Å; I46-N50 PolarHBondContact O-N 2.77Å; I46-N50 PolarHBondContact O-ND2 3.31Å; I46-N50 PolarHBondContact O-OD1 3.34Å; R47-N50 PolarHBondContact O-N 3.01Å; N50-F52 PolarHBondContact O-N 3.41Å; N50-M53 PolarHBondContact O-N 2.66Å; N50-M53 VanDerWaalsContact O-N 3.12Å; N50-D54 WeakPolarHBondContact O-CB 3.28Å; N50-D54 PolarHBondContact O-N 3.19Å; N50-R80 PolarHBondContact OD1-NE 2.94Å; N50-R80 PolarHBondContact OD1-NH2 3.32Å
51S87.6Confident87.1Confident52 Ų5254.6 Ų54.636%0.36428%0.284SS..Hα-helixtrans-54.4-42.3176.2178.30000112R47 Q48 K55R47-S51 WeakPolarHBondContact O-CB 3.31Å; R47-S51 PolarHBondContact O-N 3.21Å; Q48-S51 PolarHBondContact O-N 2.87Å; S51-K55 WeakPolarHBondContact O-CG 3.45Å; S51-K55 PolarHBondContact O-N 3.02Å
52F84.2Confident85.8Confident48 Ų4857.2 Ų57.221%0.21131%0.311CS..Hα-helixtrans-71.5-41.1178-160.4-83.3000112.7Q48 L49 N50 D54 K55 L56 L76 T607 A611Q48-F52 WeakPolarHBondContact O-CB 3.34Å; Q48-F52 PolarHBondContact O-N 2.76Å; L49-F52 PolarHBondContact O-N 3.17Å; N50-F52 PolarHBondContact O-N 3.41Å; F52-D54 VanDerWaalsContact C-N 3.32Å; F52-D54 PolarHBondContact O-N 2.88Å; F52-K55 WeakPolarHBondContact O-CB 3.46Å; F52-K55 PolarHBondContact O-N 3.32Å; F52-L56 HydrophobicContact CD1-CD1 3.83Å; F52-L56 HydrophobicContact CD1-CG 3.94Å; F52-L56 HydrophobicContact CE1-CD1 3.64Å; F52-L56 HydrophobicContact CE1-CD2 4.04Å; F52-L56 HydrophobicContact CE1-CG 3.63Å; F52-L56 PolarHBondContact O-N 2.67Å; F52-L76 HydrophobicContact CD1-CD1 3.63Å; F52-L76 HydrophobicContact CE1-CD1 4.24Å; F52-T607 HydrophobicContact CD1-CG2 4.02Å; F52-T607 HydrophobicContact CE1-CG2 3.09Å; F52-T607 HydrophobicContact CZ-CG2 3.57Å; F52-A611 HydrophobicContact CB-CB 4.15Å; F52-A611 HydrophobicContact CD2-CB 3.72Å; F52-A611 HydrophobicContact CE2-CB 4.29Å; F52-A611 HydrophobicContact CG-CB 3.84Å
53M86.4Confident84.8Confident4 Ų458.4 Ų58.42%0.0232%0.324CS..Hα-helixtrans-64.3-36.8176.4-73.5-176.17100112.1L49 N50 L56 R57 L73 L76 D77 R80L49-M53 WeakPolarHBondContact O-CB 3.35Å; L49-M53 VanDerWaalsContact O-CG 3.22Å; L49-M53 WeakPolarHBondContact O-CG 3.33Å; L49-M53 PolarHBondContact O-N 2.91Å; N50-M53 PolarHBondContact O-N 2.66Å; N50-M53 VanDerWaalsContact O-N 3.12Å; M53-L56 PolarHBondContact O-N 3.27Å; M53-R57 WeakPolarHBondContact O-CB 3.38Å; M53-R57 WeakPolarHBondContact O-CG 3.42Å; M53-R57 PolarHBondContact O-N 3.28Å; M53-L73 HydrophobicContact CB-CD2 4.03Å; M53-L73 HydrophobicContact CE-CD2 3.95Å; M53-L73 HydrophobicContact CG-CD2 4.04Å; M53-L76 HydrophobicContact CE-CB 4.45Å; M53-L76 HydrophobicContact CG-CB 3.68Å; M53-L76 HydrophobicContact CG-CD1 3.71Å; M53-L76 HydrophobicContact CG-CG 4.28Å; M53-L76 HydrophobicContact SD-CB 3.62Å; M53-D77 HydrophobicContact CE-CB 4.14Å; M53-R80 PolarHBondContact SD-NH1 3.21Å; M53-R80 VanDerWaalsContact SD-NH1 3.36Å; M53-R80 PolarHBondContact SD-NH2 2.75Å
54D87.4Confident83.2Confident90 Ų9063.4 Ų63.448%0.48135%0.35SS..Hα-helixtrans-68.4-37.9177-64.9-24.6000111.2N50 F52 R57 G58N50-D54 WeakPolarHBondContact O-CB 3.28Å; N50-D54 PolarHBondContact O-N 3.19Å; F52-D54 VanDerWaalsContact C-N 3.32Å; F52-D54 PolarHBondContact O-N 2.88Å; D54-R57 PolarHBondContact O-N 3.25Å; D54-R57 IonicContact OD1-NH1 2.69Å; D54-R57 PolarHBondContact OD1-NH1 3.06Å; D54-G58 PolarHBondContact O-N 3Å
55K84.6Confident81.7Confident133 Ų13370.9 Ų70.958%0.57839%0.39SS*.Hα-helixtrans-60.7-46.5169.9-71.2174.1-175179.30112S51 F52 G58 H59S51-K55 WeakPolarHBondContact O-CG 3.45Å; S51-K55 PolarHBondContact O-N 3.02Å; F52-K55 WeakPolarHBondContact O-CB 3.46Å; F52-K55 PolarHBondContact O-N 3.32Å; K55-G58 PolarHBondContact O-N 3.01Å; K55-H59 PolarHBondContact O-CD2 3.31Å
56L80.5Confident80.7Confident17 Ų1771.2 Ų71.29%0.08939%0.392CS..Hα-helixtrans-64.4-40.5177.7-77.3-179.8000112.6F52 M53 G58 H59 D60 I69 Q72 L73 L76 T607F52-L56 HydrophobicContact CD1-CD1 3.83Å; F52-L56 HydrophobicContact CD1-CG 3.94Å; F52-L56 HydrophobicContact CE1-CD1 3.64Å; F52-L56 HydrophobicContact CE1-CD2 4.04Å; F52-L56 HydrophobicContact CE1-CG 3.63Å; F52-L56 PolarHBondContact O-N 2.67Å; M53-L56 PolarHBondContact O-N 3.27Å; L56-G58 VanDerWaalsContact C-N 3.28Å; L56-G58 PolarHBondContact O-N 2.61Å; L56-H59 CarbonylContact O-C 3.54Å; L56-H59 WeakPolarHBondContact O-CA 3.12Å; L56-H59 WeakPolarHBondContact O-CB 3.39Å; L56-H59 PolarHBondContact O-N 3.5Å; L56-D60 PolarHBondContact O-N 2.95Å; L56-D60 VanDerWaalsContact O-N 3.14Å; L56-I69 HydrophobicContact CB-CG2 4.36Å; L56-Q72 HydrophobicContact CD1-CB 3.97Å; L56-L73 HydrophobicContact CB-CD2 3.81Å; L56-L73 HydrophobicContact CB-CG 4.26Å; L56-L73 HydrophobicContact CD1-CD2 4.04Å; L56-L73 HydrophobicContact CD1-CG 4.31Å; L56-L76 HydrophobicContact CD1-CD1 3.5Å; L56-L76 VanDerWaalsContact CD1-CD1 3.5Å; L56-T607 HydrophobicContact CD1-CG2 4.17Å
57R84.2Confident79.9Confident128 Ų12873.7 Ų73.748%0.48341%0.414SS..Hα-helixtrans-62.9-35.1175.7-75.9166.5174.4174.8-8.3112.1M53 D54 H59 D60 L73M53-R57 WeakPolarHBondContact O-CB 3.38Å; M53-R57 WeakPolarHBondContact O-CG 3.42Å; M53-R57 PolarHBondContact O-N 3.28Å; D54-R57 PolarHBondContact O-N 3.25Å; D54-R57 IonicContact OD1-NH1 2.69Å; D54-R57 PolarHBondContact OD1-NH1 3.06Å; R57-H59 PolarHBondContact O-N 3.21Å; R57-D60 PolarHBondContact O-N 3.34Å; R57-L73 HydrophobicContact CG-CD1 4.14Å; R57-L73 HydrophobicContact CG-CD2 4.13Å
58G81.7Confident79.1Confident69 Ų6973.9 Ų73.971%0.71142%0.423SS*.THydrogen-bonded Turntrans-62.8-17.9171.500000114.1D54 K55 L56D54-G58 PolarHBondContact O-N 3Å; K55-G58 PolarHBondContact O-N 3.01Å; L56-G58 VanDerWaalsContact C-N 3.28Å; L56-G58 PolarHBondContact O-N 2.61Å
59H76.8Confident78.5Confident133 Ų13373.3 Ų73.362%0.61642%0.421SS*.THydrogen-bonded Turntrans-99.5-12.5175-66.9-62.5000114K55 L56 R57 T61 I69K55-H59 PolarHBondContact O-CD2 3.31Å; L56-H59 CarbonylContact O-C 3.54Å; L56-H59 WeakPolarHBondContact O-CA 3.12Å; L56-H59 WeakPolarHBondContact O-CB 3.39Å; L56-H59 PolarHBondContact O-N 3.5Å; R57-H59 PolarHBondContact O-N 3.21Å; H59-T61 PolarHBondContact O-N 3.05Å; H59-I69 HydrophobicContact CB-CD1 4.05Å
60D72.8Confident78Confident51 Ų5177.2 Ų77.227%0.27344%0.438SS..  trans-76.3107.9177.7-171.20.6000108.9L56 R57 G62 I69L56-D60 PolarHBondContact O-N 2.95Å; L56-D60 VanDerWaalsContact O-N 3.14Å; R57-D60 PolarHBondContact O-N 3.34Å; D60-G62 PolarHBondContact O-N 2.7Å; D60-G62 WeakPolarHBondContact OD1-CA 3.28Å; D60-G62 PolarHBondContact OD1-N 3.03Å; D60-I69 HydrophobicContact CB-CG2 4.14Å
61T75Confident77.4Confident121 Ų12177.3 Ų77.374%0.74245%0.446SS*.  trans-79.5-4.617663.60000112.2H59 G63 D66H59-T61 PolarHBondContact O-N 3.05Å; T61-G63 VanDerWaalsContact C-N 3.26Å; T61-D66 WeakPolarHBondContact CA-OD2 3.34Å; T61-D66 WeakPolarHBondContact CB-OD2 3.46Å; T61-D66 PolarHBondContact N-OD2 2.9Å; T61-D66 PolarHBondContact OG1-OD2 3.12Å
62G67.5Low77Confident55 Ų5576.4 Ų76.457%0.56744%0.436SS*.SBendtrans80.92.3-175.900000113.6D60 D66D60-G62 PolarHBondContact O-N 2.7Å; D60-G62 WeakPolarHBondContact OD1-CA 3.28Å; D60-G62 PolarHBondContact OD1-N 3.03Å; G62-D66 PolarHBondContact N-OD2 2.64Å
63G73Confident76.9Confident26 Ų2675.2 Ų75.227%0.26843%0.432SS..SBendtrans-77.8171.6-176.300000114.4T61 D65 D66 K70T61-G63 VanDerWaalsContact C-N 3.26Å; G63-D65 VanDerWaalsContact C-N 3.27Å; G63-D66 PolarHBondContact N-OD2 3.22Å; G63-D66 PolarHBondContact O-N 3.42Å; G63-K70 PolarHBondContact O-NZ 3.42Å
64D64Low76.6Confident155 Ų15577 Ų7783%0.82945%0.452SS*.G310 helixtrans-69.2-26.9170.9-80.9-16.7000112.1D66 A67D64-D66 PolarHBondContact O-N 3.4Å; D64-A67 PolarHBondContact O-N 3.49Å
65D61Low76.5Confident163 Ų16373.8 Ų73.887%0.87244%0.436SS*.G310 helixtrans-68.9-13.2177.3-68.6-35.9000113.2G63 A67G63-D65 VanDerWaalsContact C-N 3.27Å; D65-A67 VanDerWaalsContact C-N 3.28Å; D65-A67 PolarHBondContact O-N 3.07Å
66D72.1Confident76.6Confident18 Ų1867.5 Ų67.510%0.09641%0.409CS..G310 helixtrans-87.613.4-178.8-65.5-34.1000113.5T61 G62 G63 D64 L68 I69 K70T61-D66 WeakPolarHBondContact CA-OD2 3.34Å; T61-D66 WeakPolarHBondContact CB-OD2 3.46Å; T61-D66 PolarHBondContact N-OD2 2.9Å; T61-D66 PolarHBondContact OG1-OD2 3.12Å; G62-D66 PolarHBondContact N-OD2 2.64Å; G63-D66 PolarHBondContact N-OD2 3.22Å; G63-D66 PolarHBondContact O-N 3.42Å; D64-D66 PolarHBondContact O-N 3.4Å; D66-L68 PolarHBondContact O-N 3.1Å; D66-I69 HydrophobicContact CB-CB 4.46Å; D66-I69 HydrophobicContact CB-CD1 4.48Å; D66-I69 PolarHBondContact O-N 3.1Å; D66-K70 PolarHBondContact O-N 3.08Å
67A77Confident76.8Confident65 Ų6568.8 Ų68.854%0.53742%0.416SS..Hα-helixtrans-50.8-34.9179.900000113.4D64 D65 A71D64-A67 PolarHBondContact O-N 3.49Å; D65-A67 VanDerWaalsContact C-N 3.28Å; D65-A67 PolarHBondContact O-N 3.07Å; A67-A71 WeakPolarHBondContact O-CB 3.34Å; A67-A71 PolarHBondContact O-N 3.44Å
68L76.2Confident76.8Confident122 Ų12267.8 Ų67.864%0.63941%0.413SS*.Hα-helixtrans-72-40.6178.6-140.3163000111.9D66 A71 Q72D66-L68 PolarHBondContact O-N 3.1Å; L68-A71 PolarHBondContact O-N 3.16Å; L68-Q72 HydrophobicContact CD2-CG 4.29Å; L68-Q72 WeakPolarHBondContact O-CG 3.46Å; L68-Q72 PolarHBondContact O-N 3.17Å
69I76.2Confident77Confident29 Ų2964.6 Ų64.615%0.14938%0.379CS..Hα-helixtrans-65.9-45175.3-60.7176.6000109.5L56 H59 D60 D66 A71 Q72 L73L56-I69 HydrophobicContact CB-CG2 4.36Å; H59-I69 HydrophobicContact CB-CD1 4.05Å; D60-I69 HydrophobicContact CB-CG2 4.14Å; D66-I69 HydrophobicContact CB-CB 4.46Å; D66-I69 HydrophobicContact CB-CD1 4.48Å; D66-I69 PolarHBondContact O-N 3.1Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 3.4Å; I69-Q72 PolarHBondContact O-N 3.15Å; I69-L73 HydrophobicContact CG2-CD1 4.05Å; I69-L73 HydrophobicContact CG2-CG 4.36Å; I69-L73 WeakPolarHBondContact O-CB 3.39Å; I69-L73 WeakPolarHBondContact O-CG 3.27Å; I69-L73 PolarHBondContact O-N 2.64Å
70K78.7Confident77.6Confident88 Ų8859.7 Ų59.738%0.38336%0.356SS..Hα-helixtrans-58.8-43175.9-70.7171.8178.8163.90111.7G63 D66 L73 G74G63-K70 PolarHBondContact O-NZ 3.42Å; D66-K70 PolarHBondContact O-N 3.08Å; K70-L73 PolarHBondContact O-N 3.09Å; K70-G74 PolarHBondContact O-N 2.87Å
71A79.1Confident78.4Confident56 Ų5662.8 Ų62.846%0.46337%0.367SS..Hα-helixtrans-62.3-44.5174.600000112.3A67 L68 I69 G74 S75A67-A71 WeakPolarHBondContact O-CB 3.34Å; A67-A71 PolarHBondContact O-N 3.44Å; L68-A71 PolarHBondContact O-N 3.16Å; I69-A71 VanDerWaalsContact C-N 3.33Å; I69-A71 PolarHBondContact O-N 3.4Å; A71-G74 PolarHBondContact O-N 3.01Å; A71-S75 PolarHBondContact O-N 3.18Å; A71-S75 PolarHBondContact O-OG 3.03Å
72Q78.8Confident78.9Confident34 Ų3457.4 Ų57.416%0.15933%0.333CS..Hα-helixtrans-63.8-42.9177.1-73.5177.4-5.400112.6L56 L68 I69 G74 S75 L76 T607L56-Q72 HydrophobicContact CD1-CB 3.97Å; L68-Q72 HydrophobicContact CD2-CG 4.29Å; L68-Q72 WeakPolarHBondContact O-CG 3.46Å; L68-Q72 PolarHBondContact O-N 3.17Å; I69-Q72 PolarHBondContact O-N 3.15Å; Q72-G74 VanDerWaalsContact C-N 3.3Å; Q72-G74 PolarHBondContact O-N 3.4Å; Q72-S75 PolarHBondContact O-N 3.41Å; Q72-L76 WeakPolarHBondContact O-CG 3.45Å; Q72-L76 PolarHBondContact O-N 3.5Å; Q72-T607 HydrophobicContact CB-CG2 4.24Å; Q72-T607 HydrophobicContact CG-CG2 4.16Å; Q72-T607 PolarHBondContact NE2-OG1 2.98Å
73L81.6Confident80Confident22 Ų2254.8 Ų54.812%0.11531%0.306CS..Hα-helixtrans-60.8-40.6174.4-74.7173.2000111.2M53 L56 R57 I69 K70 L76 D77M53-L73 HydrophobicContact CB-CD2 4.03Å; M53-L73 HydrophobicContact CE-CD2 3.95Å; M53-L73 HydrophobicContact CG-CD2 4.04Å; L56-L73 HydrophobicContact CB-CD2 3.81Å; L56-L73 HydrophobicContact CB-CG 4.26Å; L56-L73 HydrophobicContact CD1-CD2 4.04Å; L56-L73 HydrophobicContact CD1-CG 4.31Å; R57-L73 HydrophobicContact CG-CD1 4.14Å; R57-L73 HydrophobicContact CG-CD2 4.13Å; I69-L73 HydrophobicContact CG2-CD1 4.05Å; I69-L73 HydrophobicContact CG2-CG 4.36Å; I69-L73 WeakPolarHBondContact O-CB 3.39Å; I69-L73 WeakPolarHBondContact O-CG 3.27Å; I69-L73 PolarHBondContact O-N 2.64Å; K70-L73 PolarHBondContact O-N 3.09Å; L73-L76 PolarHBondContact O-N 2.83Å; L73-D77 WeakPolarHBondContact O-CB 3.23Å; L73-D77 PolarHBondContact O-N 3.2Å
74G81.5Confident80.9Confident43 Ų4356.7 Ų56.744%0.44331%0.31SS..Hα-helixtrans-60.9-45.517400000113K70 A71 Q72 D77 Y78K70-G74 PolarHBondContact O-N 2.87Å; A71-G74 PolarHBondContact O-N 3.01Å; Q72-G74 VanDerWaalsContact C-N 3.3Å; Q72-G74 PolarHBondContact O-N 3.4Å; G74-D77 PolarHBondContact O-N 3.16Å; G74-Y78 PolarHBondContact O-N 2.95Å
75S85.6Confident82.1Confident22 Ų2253.9 Ų53.915%0.15429%0.294CS..Hα-helixtrans-64-41.7176.1-61.80000112.7A71 Q72 Y78 V79A71-S75 PolarHBondContact O-N 3.18Å; A71-S75 PolarHBondContact O-OG 3.03Å; Q72-S75 PolarHBondContact O-N 3.41Å; S75-Y78 WeakPolarHBondContact O-CB 3.4Å; S75-Y78 PolarHBondContact O-N 3.46Å; S75-V79 PolarHBondContact O-N 2.96Å
76L85.3Confident83.4Confident0 Ų046.5 Ų46.50%025%0.254CS..Hα-helixtrans-67.1-37.7176.4-71.3163.8000111.9L49 F52 M53 L56 Q72 L73 Y78 V79 R80 T607 V608L49-L76 HydrophobicContact CD2-CD2 3.48Å; L49-L76 VanDerWaalsContact CD2-CD2 3.48Å; F52-L76 HydrophobicContact CD1-CD1 3.63Å; F52-L76 HydrophobicContact CE1-CD1 4.24Å; M53-L76 HydrophobicContact CE-CB 4.45Å; M53-L76 HydrophobicContact CG-CB 3.68Å; M53-L76 HydrophobicContact CG-CD1 3.71Å; M53-L76 HydrophobicContact CG-CG 4.28Å; M53-L76 HydrophobicContact SD-CB 3.62Å; L56-L76 HydrophobicContact CD1-CD1 3.5Å; L56-L76 VanDerWaalsContact CD1-CD1 3.5Å; Q72-L76 WeakPolarHBondContact O-CG 3.45Å; Q72-L76 PolarHBondContact O-N 3.5Å; L73-L76 PolarHBondContact O-N 2.83Å; L76-Y78 VanDerWaalsContact C-N 3.34Å; L76-V79 PolarHBondContact O-N 3.16Å; L76-R80 WeakPolarHBondContact O-CB 3.35Å; L76-R80 PolarHBondContact O-N 3.27Å; L76-T607 HydrophobicContact CD1-CG2 4.4Å; L76-V608 HydrophobicContact CD2-CB 4.34Å; L76-V608 HydrophobicContact CD2-CG1 4.48Å; L76-V608 HydrophobicContact CD2-CG2 3.75Å; L76-V608 HydrophobicContact CG-CG2 4.28Å
77D84.4Confident84.3Confident44 Ų4449.3 Ų49.324%0.23526%0.263CS..Hα-helixtrans-65.9-36.6175.9-168.467000112.2M53 L73 G74 R80 K81M53-D77 HydrophobicContact CE-CB 4.14Å; L73-D77 WeakPolarHBondContact O-CB 3.23Å; L73-D77 PolarHBondContact O-N 3.2Å; G74-D77 PolarHBondContact O-N 3.16Å; D77-R80 PolarHBondContact O-N 3.04Å; D77-R80 IonicContact OD1-NH1 3.06Å; D77-R80 PolarHBondContact OD1-NH1 2.97Å; D77-K81 WeakPolarHBondContact O-CG 3.32Å; D77-K81 PolarHBondContact O-N 3.42Å; D77-K81 WeakPolarHBondContact OD2-CE 3.41Å; D77-K81 IonicContact OD2-NZ 2.77Å; D77-K81 PolarHBondContact OD2-NZ 3.34Å
78Y85.8Confident84.9Confident108 Ų10853.7 Ų53.742%0.42427%0.266SS..Hα-helixtrans-59.1-48.3172.3174.2-106.3000112G74 S75 L76 R80 K81 I82G74-Y78 PolarHBondContact O-N 2.95Å; S75-Y78 WeakPolarHBondContact O-CB 3.4Å; S75-Y78 PolarHBondContact O-N 3.46Å; L76-Y78 VanDerWaalsContact C-N 3.34Å; Y78-R80 VanDerWaalsContact C-N 3.35Å; Y78-R80 PolarHBondContact O-N 3.23Å; Y78-K81 WeakPolarHBondContact O-CB 3.32Å; Y78-K81 PolarHBondContact O-N 2.97Å; Y78-I82 HydrophobicContact CD1-CD1 4.12Å; Y78-I82 HydrophobicContact CE1-CD1 3.57Å; Y78-I82 HydrophobicContact CE2-CD1 4.39Å; Y78-I82 PolarHBondContact O-N 3.47Å; Y78-I82 VanDerWaalsContact O-N 3.12Å
79V85.3Confident85.4Confident1 Ų151.3 Ų51.31%0.00625%0.251CS..Hα-helixtrans-63.5-42176.4-178.80000110.8F29 L33 L49 S75 L76 K81 I82 C83 V608F29-V79 HydrophobicContact CE1-CG1 3.86Å; L33-V79 HydrophobicContact CD1-CG1 3.63Å; L49-V79 HydrophobicContact CD1-CB 4.21Å; L49-V79 HydrophobicContact CD1-CG1 3.76Å; L49-V79 HydrophobicContact CD2-CG1 4.34Å; S75-V79 PolarHBondContact O-N 2.96Å; L76-V79 PolarHBondContact O-N 3.16Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 3.33Å; V79-I82 WeakPolarHBondContact O-CB 3.5Å; V79-I82 PolarHBondContact O-N 2.87Å; V79-C83 PolarHBondContact O-N 2.8Å; V79-C83 PolarHBondContact O-SG 3.49Å; V79-V608 HydrophobicContact CG2-CG1 4.26Å
80R89.5Confident86Confident30 Ų3051.7 Ų51.711%0.11325%0.253CS..Hα-helixtrans-58-43.2175.6-176-163.4-78.4148.4-11.1111.4L49 N50 M53 L76 D77 Y78 I82 C83 L84L49-R80 HydrophobicContact CD1-CB 4.28Å; N50-R80 PolarHBondContact OD1-NE 2.94Å; N50-R80 PolarHBondContact OD1-NH2 3.32Å; M53-R80 PolarHBondContact SD-NH1 3.21Å; M53-R80 VanDerWaalsContact SD-NH1 3.36Å; M53-R80 PolarHBondContact SD-NH2 2.75Å; L76-R80 WeakPolarHBondContact O-CB 3.35Å; L76-R80 PolarHBondContact O-N 3.27Å; D77-R80 PolarHBondContact O-N 3.04Å; D77-R80 IonicContact OD1-NH1 3.06Å; D77-R80 PolarHBondContact OD1-NH1 2.97Å; Y78-R80 VanDerWaalsContact C-N 3.35Å; Y78-R80 PolarHBondContact O-N 3.23Å; R80-I82 PolarHBondContact O-N 2.86Å; R80-C83 WeakPolarHBondContact O-CB 3.4Å; R80-C83 PolarHBondContact O-N 3.18Å; R80-L84 HydrophobicContact CG-CD1 4.09Å; R80-L84 HydrophobicContact CG-CG 4.41Å; R80-L84 WeakPolarHBondContact O-CG 3.48Å; R80-L84 PolarHBondContact O-N 3.45Å
81K88.4Confident86.4Confident116 Ų11653.3 Ų53.350%0.50426%0.262SS..Hα-helixtrans-60.4-43.4176.3-78.6166.6171.81500111.8D77 Y78 V79 C83 L84 I85D77-K81 WeakPolarHBondContact O-CG 3.32Å; D77-K81 PolarHBondContact O-N 3.42Å; D77-K81 WeakPolarHBondContact OD2-CE 3.41Å; D77-K81 IonicContact OD2-NZ 2.77Å; D77-K81 PolarHBondContact OD2-NZ 3.34Å; Y78-K81 WeakPolarHBondContact O-CB 3.32Å; Y78-K81 PolarHBondContact O-N 2.97Å; V79-K81 VanDerWaalsContact C-N 3.31Å; V79-K81 PolarHBondContact O-N 3.33Å; K81-C83 VanDerWaalsContact C-N 3.34Å; K81-C83 PolarHBondContact O-N 3.31Å; K81-L84 PolarHBondContact O-N 2.87Å; K81-I85 VanDerWaalsContact O-CG1 3.3Å; K81-I85 WeakPolarHBondContact O-CG1 3.42Å; K81-I85 PolarHBondContact O-N 3.23Å
82I85.4Confident86.8Confident8 Ų856.8 Ų56.84%0.04127%0.269CS..Hα-helixtrans-56.3-49.9173.8-67.5171.8000110.4C30 L33 R34 Y78 V79 R80 L84 I85 R86C30-I82 HydrophobicContact CB-CD1 3.89Å; L33-I82 HydrophobicContact CB-CG2 4.32Å; R34-I82 HydrophobicContact CG-CG2 3.74Å; Y78-I82 HydrophobicContact CD1-CD1 4.12Å; Y78-I82 HydrophobicContact CE1-CD1 3.57Å; Y78-I82 HydrophobicContact CE2-CD1 4.39Å; Y78-I82 PolarHBondContact O-N 3.47Å; Y78-I82 VanDerWaalsContact O-N 3.12Å; V79-I82 WeakPolarHBondContact O-CB 3.5Å; V79-I82 PolarHBondContact O-N 2.87Å; R80-I82 PolarHBondContact O-N 2.86Å; I82-L84 PolarHBondContact O-N 2.77Å; I82-I85 PolarHBondContact O-N 2.66Å; I82-R86 WeakPolarHBondContact O-CB 3.44Å; I82-R86 PolarHBondContact O-N 3.34Å
83C91.2Very high86.7Confident0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-59.3-44.9178.1-69.30000112.4I42 I46 V79 R80 K81 R86 R87I42-C83 HydrophobicContact CG2-CB 3.85Å; I42-C83 VanDerWaalsContact CG2-O 3.3Å; I42-C83 WeakPolarHBondContact CG2-O 3.48Å; I46-C83 HydrophobicContact CD1-CB 3.82Å; I46-C83 HydrophobicContact CG1-CB 3.49Å; I46-C83 VanDerWaalsContact CG1-CB 3.49Å; V79-C83 PolarHBondContact O-N 2.8Å; V79-C83 PolarHBondContact O-SG 3.49Å; R80-C83 WeakPolarHBondContact O-CB 3.4Å; R80-C83 PolarHBondContact O-N 3.18Å; K81-C83 VanDerWaalsContact C-N 3.34Å; K81-C83 PolarHBondContact O-N 3.31Å; C83-R86 PolarHBondContact O-N 3.27Å; C83-R87 WeakPolarHBondContact O-CB 3.22Å; C83-R87 PolarHBondContact O-N 3.11Å
84L92.1Very high85.7Confident67 Ų6760.4 Ų60.435%0.35131%0.305SS..Hα-helixtrans-64.9-42-179.9-71.9171.7000112.6I46 R80 K81 I82 R88I46-L84 HydrophobicContact CD1-CD2 3.97Å; I46-L84 HydrophobicContact CD1-CG 4.42Å; R80-L84 HydrophobicContact CG-CD1 4.09Å; R80-L84 HydrophobicContact CG-CG 4.41Å; R80-L84 WeakPolarHBondContact O-CG 3.48Å; R80-L84 PolarHBondContact O-N 3.45Å; K81-L84 PolarHBondContact O-N 2.87Å; I82-L84 PolarHBondContact O-N 2.77Å; L84-R88 PolarHBondContact O-N 3.48Å; L84-R88 VanDerWaalsContact O-N 3.16Å
85I88.2Confident84.2Confident96 Ų9661.3 Ų61.349%0.49231%0.308SS..Hα-helixtrans-62-49.5175-69.2166.1000109.5K81 I82 R87 R88 Q89K81-I85 VanDerWaalsContact O-CG1 3.3Å; K81-I85 WeakPolarHBondContact O-CG1 3.42Å; K81-I85 PolarHBondContact O-N 3.23Å; I82-I85 PolarHBondContact O-N 2.66Å; I85-R87 PolarHBondContact O-N 3.36Å; I85-R88 WeakPolarHBondContact O-CB 3.33Å; I85-R88 PolarHBondContact O-N 3.29Å; I85-Q89 WeakPolarHBondContact O-CG 3.35Å; I85-Q89 PolarHBondContact O-N 3.02Å
86R88.3Confident82.4Confident8 Ų864.6 Ų64.63%0.0332%0.321CS..Hα-helixtrans-63.3-41.8-178.9-176.954.9178.9-172.7-8.1112.2R34 S36 I42 I82 C83 R88 Q89 I90R34-R86 VanDerWaalsContact O-CD 3.29Å; R34-R86 WeakPolarHBondContact O-CD 3.28Å; R34-R86 PolarHBondContact O-NE 3.4Å; S36-R86 VanDerWaalsContact O-CZ 3.31Å; S36-R86 PolarHBondContact O-NE 3.47Å; S36-R86 PolarHBondContact O-NH2 3.29Å; I42-R86 HydrophobicContact CD1-CG 4.34Å; I82-R86 WeakPolarHBondContact O-CB 3.44Å; I82-R86 PolarHBondContact O-N 3.34Å; C83-R86 PolarHBondContact O-N 3.27Å; R86-R88 VanDerWaalsContact C-N 3.28Å; R86-R88 PolarHBondContact O-N 2.92Å; R86-Q89 WeakPolarHBondContact O-CB 3.43Å; R86-Q89 PolarHBondContact O-N 3.41Å; R86-I90 HydrophobicContact CG-CD1 4.1Å; R86-I90 WeakPolarHBondContact O-CG1 3.45Å; R86-I90 PolarHBondContact O-N 3.42Å
87R91.9Very high80.2Confident76 Ų7670.2 Ų70.229%0.28735%0.345SS..Hα-helixtrans-56.3-44.2175.3-168.7-179.670.2178.32.6111.7I39 I42 D43 C83 I85 I90 Q91I39-R87 HydrophobicContact CG2-CG 4.19Å; I42-R87 HydrophobicContact CG2-CB 3.93Å; D43-R87 WeakPolarHBondContact OD1-CD 3.45Å; D43-R87 IonicContact OD1-CZ 3.97Å; D43-R87 IonicContact OD1-NE 3.29Å; D43-R87 IonicContact OD1-NH1 3.34Å; D43-R87 PolarHBondContact OD1-NH1 3.16Å; C83-R87 WeakPolarHBondContact O-CB 3.22Å; C83-R87 PolarHBondContact O-N 3.11Å; I85-R87 PolarHBondContact O-N 3.36Å; R87-I90 PolarHBondContact O-N 3.48Å; R87-Q91 WeakPolarHBondContact O-CG 3.46Å; R87-Q91 PolarHBondContact O-N 2.82Å; R87-Q91 VanDerWaalsContact O-N 3.09Å
88R90Very high78.1Confident158 Ų15873.5 Ų73.560%0.59637%0.369SS*.Hα-helixtrans-62.4-46.5176.9-174.3-173.1-62168.60111.3L84 I85 R86 I90 Q91 E92L84-R88 PolarHBondContact O-N 3.48Å; L84-R88 VanDerWaalsContact O-N 3.16Å; I85-R88 WeakPolarHBondContact O-CB 3.33Å; I85-R88 PolarHBondContact O-N 3.29Å; R86-R88 VanDerWaalsContact C-N 3.28Å; R86-R88 PolarHBondContact O-N 2.92Å; R88-I90 VanDerWaalsContact C-N 3.31Å; R88-I90 PolarHBondContact O-N 3.37Å; R88-Q91 PolarHBondContact O-N 3.01Å; R88-Q91 VanDerWaalsContact O-N 3.13Å; R88-E92 VanDerWaalsContact CD-OE1 3.31Å; R88-E92 WeakPolarHBondContact CD-OE1 3.4Å; R88-E92 HydrophobicContact CG-CG 4.29Å; R88-E92 WeakPolarHBondContact CG-OE1 3.39Å; R88-E92 WeakPolarHBondContact O-CG 3.3Å; R88-E92 PolarHBondContact O-N 2.84Å
89Q86.9Confident75.6Confident71 Ų7171.7 Ų71.733%0.33238%0.383SS..Hα-helixtrans-58.1-41.8178.5-69.9171.7-22.500112.5I85 R86 G93 V94I85-Q89 WeakPolarHBondContact O-CG 3.35Å; I85-Q89 PolarHBondContact O-N 3.02Å; R86-Q89 WeakPolarHBondContact O-CB 3.43Å; R86-Q89 PolarHBondContact O-N 3.41Å; Q89-G93 PolarHBondContact O-N 2.83Å; Q89-V94 HydrophobicContact CB-CB 4.46Å; Q89-V94 PolarHBondContact O-N 3.19Å
90I87.1Confident73Confident37 Ų3780 Ų8019%0.1941%0.414CS..Hα-helixtrans-65.6-43.4176.5-58.5162.6000110.6S36 I39 I42 R86 R87 R88 E92 G93S36-I90 WeakPolarHBondContact O-CD1 3.38Å; I39-I90 HydrophobicContact CD1-CB 4.5Å; I39-I90 HydrophobicContact CD1-CG2 3.92Å; I39-I90 HydrophobicContact CG1-CB 4.03Å; I39-I90 HydrophobicContact CG1-CD1 4.43Å; I39-I90 HydrophobicContact CG1-CG2 3.6Å; I42-I90 HydrophobicContact CG1-CD1 4.48Å; R86-I90 HydrophobicContact CG-CD1 4.1Å; R86-I90 WeakPolarHBondContact O-CG1 3.45Å; R86-I90 PolarHBondContact O-N 3.42Å; R87-I90 PolarHBondContact O-N 3.48Å; R88-I90 VanDerWaalsContact C-N 3.31Å; R88-I90 PolarHBondContact O-N 3.37Å; I90-E92 PolarHBondContact O-N 3.25Å; I90-G93 PolarHBondContact O-N 2.91Å; I90-G93 VanDerWaalsContact O-N 3.09Å
91Q88.4Confident70.4Confident122 Ų12281.7 Ų81.757%0.5743%0.434SS*.Hα-helixtrans-64.1-37.8178.6-74.4175.5-23.100113.1I39 R87 R88 G93I39-Q91 HydrophobicContact CD1-CG 3.81Å; R87-Q91 WeakPolarHBondContact O-CG 3.46Å; R87-Q91 PolarHBondContact O-N 2.82Å; R87-Q91 VanDerWaalsContact O-N 3.09Å; R88-Q91 PolarHBondContact O-N 3.01Å; R88-Q91 VanDerWaalsContact O-N 3.13Å; Q91-G93 PolarHBondContact O-N 3.03Å
92E87.3Confident67.9Low129 Ų12980.8 Ų80.860%0.60343%0.434SS*.THydrogen-bonded Turntrans-73-4.4176-70.8171.9179.800112.5R88 I90 V94R88-E92 VanDerWaalsContact CD-OE1 3.31Å; R88-E92 WeakPolarHBondContact CD-OE1 3.4Å; R88-E92 HydrophobicContact CG-CG 4.29Å; R88-E92 WeakPolarHBondContact CG-OE1 3.39Å; R88-E92 WeakPolarHBondContact O-CG 3.3Å; R88-E92 PolarHBondContact O-N 2.84Å; I90-E92 PolarHBondContact O-N 3.25Å; E92-V94 HydrophobicContact CB-CG2 3.96Å; E92-V94 PolarHBondContact O-N 3.32Å
93G76.5Confident65.4Low52 Ų5283.7 Ų83.754%0.53646%0.46SS..THydrogen-bonded Turntrans69.417.2-176.100000113Q89 I90 Q91 A95Q89-G93 PolarHBondContact O-N 2.83Å; I90-G93 PolarHBondContact O-N 2.91Å; I90-G93 VanDerWaalsContact O-N 3.09Å; Q91-G93 PolarHBondContact O-N 3.03Å; G93-A95 PolarHBondContact O-N 2.63Å
94V60.5Low63.1Low81 Ų8186.6 Ų86.649%0.49147%0.471SS..  trans-76.163.7166.9-168.20000107.2Q89 E92Q89-V94 HydrophobicContact CB-CB 4.46Å; Q89-V94 PolarHBondContact O-N 3.19Å; E92-V94 HydrophobicContact CB-CG2 3.96Å; E92-V94 PolarHBondContact O-N 3.32Å
95A50.1Low60.4Low61 Ų6191.4 Ų91.450%0.50449%0.492SS..  trans-59141.2159.700000106.7G93 K97G93-A95 PolarHBondContact O-N 2.63Å; A95-K97 PolarHBondContact O-N 3.21Å
96E47.9Very low58.3Low91 Ų9189 Ų8943%0.42548%0.48SS..  trans-62.286162.8-67.7-175.4148.100106.9P98 R800E96-P98 VanDerWaalsContact O-CD 3.26Å; E96-P98 WeakPolarHBondContact O-CD 3.15Å; E96-R800 IonicContact OE1-CZ 3.51Å; E96-R800 IonicContact OE1-NH1 2.75Å; E96-R800 PolarHBondContact OE1-NH1 3.28Å; E96-R800 IonicContact OE1-NH2 2.77Å; E96-R800 PolarHBondContact OE1-NH2 3.46Å; E96-R800 IonicContact OE2-CZ 3.1Å; E96-R800 VanDerWaalsContact OE2-CZ 3.26Å; E96-R800 IonicContact OE2-NH1 3.46Å; E96-R800 PolarHBondContact OE2-NH1 3.03Å; E96-R800 IonicContact OE2-NH2 2.77Å; E96-R800 PolarHBondContact OE2-NH2 3.36Å
97K38.5Very low56.2Low119 Ų11994.8 Ų94.852%0.51751%0.507SS..  trans-65.1118.3179.8-80.9-176.1176.5179.50106.7A95 G99 R100A95-K97 PolarHBondContact O-N 3.21Å; K97-G99 PolarHBondContact O-N 2.79Å; K97-R100 HydrophobicContact CB-CB 4.3Å; K97-R100 PolarHBondContact O-N 3.07Å
98P39.9Very low54.2Low113 Ų11396.5 Ų96.573%0.73453%0.528SS*.THydrogen-bonded Turntrans-78.143.2-16931.2-35000113.5E96E96-P98 VanDerWaalsContact O-CD 3.26Å; E96-P98 WeakPolarHBondContact O-CD 3.15Å
99G34.2Very low52.3Low70 Ų7095.2 Ų95.272%0.72253%0.533SS*.THydrogen-bonded Turntrans172-6.3-174.100000115K97 A101K97-G99 PolarHBondContact O-N 2.79Å; G99-A101 VanDerWaalsContact C-N 3.31Å; G99-A101 PolarHBondContact O-N 3.29Å
100R31.4Very low50.9Low176 Ų17693 Ų9366%0.66453%0.527SS*.SBendtrans-66.6111.3148-100.4-172.4-179.2-179.2-1.8103.3K97 L102K97-R100 HydrophobicContact CB-CB 4.3Å; K97-R100 PolarHBondContact O-N 3.07Å; R100-L102 VanDerWaalsContact C-N 3.29Å; R100-L102 PolarHBondContact O-N 2.97Å
101A33.6Very low49.7Very low64 Ų6498.8 Ų98.853%0.52955%0.546SS..  trans-28.8111.7138.900000105.3G99 A103G99-A101 VanDerWaalsContact C-N 3.31Å; G99-A101 PolarHBondContact O-N 3.29Å; A101-A103 PolarHBondContact O-N 3.22Å
102L36.8Very low49.1Very low97 Ų9793.7 Ų93.751%0.50852%0.523SS..  trans-56.691.9163.2-88.595.4000102.1R100 Y104R100-L102 VanDerWaalsContact C-N 3.29Å; R100-L102 PolarHBondContact O-N 2.97Å; L102-Y104 HydrophobicContact CB-CD2 3.74Å; L102-Y104 HydrophobicContact CB-CE1 4.36Å; L102-Y104 HydrophobicContact CB-CE2 3.51Å; L102-Y104 HydrophobicContact CB-CG 4.24Å; L102-Y104 HydrophobicContact CD2-CD1 4.16Å; L102-Y104 HydrophobicContact CD2-CE1 3.63Å; L102-Y104 HydrophobicContact CD2-CE2 4.28Å; L102-Y104 HydrophobicContact CG-CE2 4.46Å; L102-Y104 WeakPolarHBondContact O-CD2 3.42Å; L102-Y104 PolarHBondContact O-N 2.86Å
103A33.8Very low48.8Very low70 Ų7089.3 Ų89.358%0.57950%0.501SS*.  trans-55.382.5134.100000101.5A101 H105A101-A103 PolarHBondContact O-N 3.22Å; A103-H105 PolarHBondContact O-N 3.44Å; A103-H105 PolarHBondContact O-ND1 3.46Å
104Y41.3Very low49.1Very low61 Ų6189 Ų8924%0.23949%0.487CS..  trans-43.1108.1147.7-66.1-86.1000101.2L102 L106 I357 A361 L366L102-Y104 HydrophobicContact CB-CD2 3.74Å; L102-Y104 HydrophobicContact CB-CE1 4.36Å; L102-Y104 HydrophobicContact CB-CE2 3.51Å; L102-Y104 HydrophobicContact CB-CG 4.24Å; L102-Y104 HydrophobicContact CD2-CD1 4.16Å; L102-Y104 HydrophobicContact CD2-CE1 3.63Å; L102-Y104 HydrophobicContact CD2-CE2 4.28Å; L102-Y104 HydrophobicContact CG-CE2 4.46Å; L102-Y104 WeakPolarHBondContact O-CD2 3.42Å; L102-Y104 PolarHBondContact O-N 2.86Å; Y104-L106 VanDerWaalsContact CB-CG 3.46Å; Y104-L106 HydrophobicContact CG-CD2 4.48Å; Y104-L106 HydrophobicContact CG-CG 4.47Å; Y104-L106 PolarHBondContact O-N 3.19Å; Y104-I357 HydrophobicContact CD2-CG2 3.19Å; Y104-I357 HydrophobicContact CE2-CG2 3.54Å; Y104-I357 HydrophobicContact CG-CG2 4.09Å; Y104-A361 HydrophobicContact CE2-CB 4.27Å; Y104-A361 WeakPolarHBondContact OH-CB 3.49Å; Y104-L366 HydrophobicContact CD1-CD1 3.85Å; Y104-L366 HydrophobicContact CD2-CD1 3.98Å; Y104-L366 HydrophobicContact CE1-CB 4.08Å; Y104-L366 HydrophobicContact CE1-CD1 3.23Å; Y104-L366 HydrophobicContact CE1-CG 4.24Å; Y104-L366 HydrophobicContact CE2-CD1 3.36Å; Y104-L366 HydrophobicContact CG-CD1 4.21Å; Y104-L366 VanDerWaalsContact OH-CD1 3.3Å; Y104-L366 WeakPolarHBondContact OH-CD1 3.41Å
105H35.1Very low50.3Low168 Ų16885.2 Ų85.278%0.77846%0.464SS*.  trans-70.964.6163-69.866.6000103.2A103 Q107A103-H105 PolarHBondContact O-N 3.44Å; A103-H105 PolarHBondContact O-ND1 3.46Å; H105-Q107 PolarHBondContact O-N 3.38Å
106L45.2Very low52.2Low46 Ų4685 Ų8524%0.24146%0.459CS..  trans-55.1116.8166.2-67.4170.4000101.4Y104 A110 I112 I357 I381Y104-L106 VanDerWaalsContact CB-CG 3.46Å; Y104-L106 HydrophobicContact CG-CD2 4.48Å; Y104-L106 HydrophobicContact CG-CG 4.47Å; Y104-L106 PolarHBondContact O-N 3.19Å; L106-A110 HydrophobicContact CB-CB 3.97Å; L106-A110 HydrophobicContact CD2-CB 4.14Å; L106-I112 HydrophobicContact CD1-CG2 3.78Å; L106-I112 HydrophobicContact CD2-CG2 4.01Å; L106-I357 HydrophobicContact CD1-CD1 4.32Å; L106-I381 HydrophobicContact CB-CD1 3.44Å; L106-I381 VanDerWaalsContact CB-CD1 3.44Å; L106-I381 HydrophobicContact CB-CG1 4.47Å; L106-I381 HydrophobicContact CD1-CD1 4.21Å; L106-I381 HydrophobicContact CD1-CG1 4.46Å; L106-I381 HydrophobicContact CG-CD1 4.4Å
107Q44.9Very low54.2Low128 Ų12881.9 Ų81.960%0.59844%0.444SS*.  trans-48.2145.7168.7-64.1-177.82.900106.9H105 D109 A110 I381H105-Q107 PolarHBondContact O-N 3.38Å; Q107-D109 PolarHBondContact O-N 3.29Å; Q107-A110 HydrophobicContact CB-CB 4.39Å; Q107-A110 VanDerWaalsContact O-CB 3.28Å; Q107-A110 WeakPolarHBondContact O-CB 3.42Å; Q107-A110 PolarHBondContact O-N 3.41Å; Q107-I381 WeakPolarHBondContact O-CD1 3.32Å
108P49.4Very low56.5Low112 Ų11282.5 Ų82.573%0.72745%0.449SS*.THydrogen-bonded Turntrans-47.5-25.7177.4-27.333.8000113.3
109D49.8Very low58.6Low131 Ų13178.8 Ų78.870%0.70142%0.422SS*.THydrogen-bonded Turntrans-98.50.3-176.8-42.5-35.5000114.1Q107 R111Q107-D109 PolarHBondContact O-N 3.29Å; D109-R111 PolarHBondContact O-N 3.22Å
110A57.7Low61.1Low25 Ų2575.4 Ų75.421%0.20739%0.387CS..PPolyproline II helixtrans-68.3126.7-176.300000110.4L106 Q107 I381L106-A110 HydrophobicContact CB-CB 3.97Å; L106-A110 HydrophobicContact CD2-CB 4.14Å; Q107-A110 HydrophobicContact CB-CB 4.39Å; Q107-A110 VanDerWaalsContact O-CB 3.28Å; Q107-A110 WeakPolarHBondContact O-CB 3.42Å; Q107-A110 PolarHBondContact O-N 3.41Å; A110-I381 HydrophobicContact CB-CD1 4.4Å; A110-I381 WeakPolarHBondContact O-CG1 3.42Å
111R62.3Low63.6Low158 Ų15867.6 Ų67.660%0.59636%0.358SS*.EExtended strand (participates in β ladder)trans-84.7123.9173.4-73.8-175.6-173.3-1652.8109.5D109 F378 I379D109-R111 PolarHBondContact O-N 3.22Å; R111-F378 HydrophobicContact CB-CB 3.9Å; R111-F378 HydrophobicContact CB-CD1 3.96Å; R111-F378 HydrophobicContact CB-CG 4.26Å; R111-F378 HydrophobicContact CG-CB 4.49Å; R111-F378 WeakPolarHBondContact O-CD1 3.4Å; R111-I379 WeakPolarHBondContact CA-O 3.22Å
112I74.8Confident65.7Low16 Ų1666.7 Ų66.78%0.08235%0.346CS..EExtended strand (participates in β ladder)trans-97.8149.7174.657172.2000110.5L106 D114 Y356 L360 L366 F378 I379L106-I112 HydrophobicContact CD1-CG2 3.78Å; L106-I112 HydrophobicContact CD2-CG2 4.01Å; I112-D114 PolarHBondContact O-N 3.12Å; I112-Y356 HydrophobicContact CD1-CD1 4.44Å; I112-Y356 HydrophobicContact CD1-CE1 4.25Å; I112-L360 HydrophobicContact CB-CD1 4.23Å; I112-L366 HydrophobicContact CG2-CD2 4.42Å; I112-F378 CarbonylContact O-C 3.56Å; I112-F378 VanDerWaalsContact O-CA 3.31Å; I112-F378 WeakPolarHBondContact O-CA 3.37Å; I112-I379 PolarHBondContact N-O 3.27Å; I112-I379 PolarHBondContact O-N 3.41Å
113Y80.8Confident67.4Low37 Ų3764.9 Ų64.915%0.14533%0.334CS..EExtended strand (participates in β ladder)trans-57.6132.1178.2-177.6-97000110.9M115 E119 Y356 L360 L365 N377Y113-M115 HydrophobicContact CD1-CB 4.16Å; Y113-M115 HydrophobicContact CE1-CB 3.94Å; Y113-M115 HydrophobicContact CE1-CG 4.31Å; Y113-E119 PolarHBondContact OH-OE1 3.08Å; Y113-E119 PolarHBondContact OH-OE2 3.47Å; Y113-Y356 PolarHBondContact O-OH 3.36Å; Y113-L360 HydrophobicContact CD1-CD2 3.92Å; Y113-L365 HydrophobicContact CD1-CB 4.5Å; Y113-L365 HydrophobicContact CD1-CD1 3.8Å; Y113-L365 HydrophobicContact CE1-CD1 3.91Å; Y113-L365 HydrophobicContact CG-CB 4.41Å; Y113-L365 HydrophobicContact CG-CD1 4.43Å; Y113-N377 CarbonylContact C-O 3.57Å; Y113-N377 WeakPolarHBondContact CA-O 3.25Å; Y113-N377 HydrophobicContact CD2-CB 4.17Å; Y113-N377 HydrophobicContact CE2-CB 3.84Å
114D83.7Confident69.2Low46 Ų4661.9 Ų61.925%0.24631%0.309CS..  trans-101.694.1179.2-171.137.4000110.8I112 K351 N377 I379I112-D114 PolarHBondContact O-N 3.12Å; D114-K351 WeakPolarHBondContact OD1-CE 3.33Å; D114-K351 IonicContact OD1-NZ 2.63Å; D114-K351 PolarHBondContact OD1-NZ 2.93Å; D114-K351 IonicContact OD2-NZ 3.73Å; D114-N377 PolarHBondContact N-O 2.82Å; D114-I379 HydrophobicContact CB-CD1 3.86Å; D114-I379 HydrophobicContact CB-CG1 3.86Å; D114-I379 WeakPolarHBondContact OD1-CD1 3.37Å; D114-I379 VanDerWaalsContact OD2-CD1 3.27Å; D114-I379 WeakPolarHBondContact OD2-CD1 3.27Å
115M85.7Confident70.7Confident0 Ų059.6 Ų59.60%030%0.301CS..  trans-73.8136.4179.5-166.3179.3-54.100110.2Y113 E119 L120 A126 F347 K351 Y356 L359 L360 L363 L365Y113-M115 HydrophobicContact CD1-CB 4.16Å; Y113-M115 HydrophobicContact CE1-CB 3.94Å; Y113-M115 HydrophobicContact CE1-CG 4.31Å; M115-E119 HydrophobicContact CG-CB 3.91Å; M115-E119 HydrophobicContact CG-CG 3.94Å; M115-L120 HydrophobicContact SD-CB 3.93Å; M115-A126 HydrophobicContact SD-CB 4.31Å; M115-F347 VanDerWaalsContact O-CZ 3.31Å; M115-F347 WeakPolarHBondContact O-CZ 3.39Å; M115-K351 WeakPolarHBondContact O-CE 3.42Å; M115-K351 PolarHBondContact O-NZ 3.11Å; M115-Y356 HydrophobicContact CB-CE2 4.08Å; M115-Y356 WeakPolarHBondContact CB-OH 3.04Å; M115-Y356 HydrophobicContact CE-CE2 4.49Å; M115-Y356 PolarHBondContact N-OH 3.04Å; M115-L359 HydrophobicContact CE-CD2 3.98Å; M115-L359 HydrophobicContact CE-CG 4.29Å; M115-L359 HydrophobicContact SD-CD2 4.27Å; M115-L360 HydrophobicContact CE-CD2 3.77Å; M115-L363 HydrophobicContact CE-CD1 3.57Å; M115-L365 HydrophobicContact CE-CD1 4.04Å
116S90.1Very high72.9Confident58 Ų5851.6 Ų51.641%0.40626%0.264SS..  trans-76.6157171.272.10000111.1Q118 E119 L120S116-Q118 PolarHBondContact O-N 2.8Å; S116-E119 PolarHBondContact O-N 2.88Å; S116-E119 VanDerWaalsContact OG-CB 3.29Å; S116-E119 WeakPolarHBondContact OG-CB 3.47Å; S116-E119 PolarHBondContact OG-N 3.45Å; S116-L120 PolarHBondContact O-N 3.09Å
117F90.2Very high74.5Confident24 Ų2449.5 Ų49.511%0.10525%0.253CS..Hα-helixtrans-61.2-38.9174.9-177-98.2000111.1E119 L120 M121 F130 V338 L341 S342 F347F117-E119 PolarHBondContact O-N 3.11Å; F117-L120 WeakPolarHBondContact O-CB 3.26Å; F117-L120 PolarHBondContact O-N 2.72Å; F117-M121 HydrophobicContact CD1-CG 3.98Å; F117-M121 HydrophobicContact CE1-CG 3.51Å; F117-M121 HydrophobicContact CE1-SD 4.21Å; F117-M121 HydrophobicContact CE2-CG 4.31Å; F117-M121 HydrophobicContact CE2-SD 4.28Å; F117-M121 HydrophobicContact CZ-CG 3.7Å; F117-M121 HydrophobicContact CZ-SD 3.79Å; F117-M121 WeakPolarHBondContact O-CG 3.29Å; F117-M121 PolarHBondContact O-N 2.82Å; F117-F130 AromaticContact CE2-CE1 3.79Å; F117-F130 HydrophobicContact CE2-CE1 3.79Å; F117-F130 HydrophobicContact CE2-CZ 4.21Å; F117-V338 HydrophobicContact CD1-CG1 4.16Å; F117-V338 HydrophobicContact CE1-CB 4.41Å; F117-V338 HydrophobicContact CE1-CG1 3.75Å; F117-V338 HydrophobicContact CE1-CG2 4.27Å; F117-L341 HydrophobicContact CE2-CB 3.79Å; F117-L341 HydrophobicContact CZ-CB 3.59Å; F117-L341 HydrophobicContact CZ-CD1 4.23Å; F117-S342 VanDerWaalsContact CD1-OG 3.26Å; F117-S342 WeakPolarHBondContact CD1-OG 3.37Å; F117-S342 WeakPolarHBondContact CG-OG 3.4Å; F117-F347 HydrophobicContact CB-CD1 3.85Å; F117-F347 HydrophobicContact CB-CE1 3.68Å; F117-F347 HydrophobicContact CB-CG 4.44Å; F117-F347 HydrophobicContact CB-CZ 4.18Å; F117-F347 HydrophobicContact CD2-CB 3.91Å; F117-F347 AromaticContact CD2-CD1 3.95Å; F117-F347 HydrophobicContact CD2-CD1 3.95Å; F117-F347 HydrophobicContact CD2-CD2 4.01Å; F117-F347 HydrophobicContact CD2-CE1 4.41Å; F117-F347 AromaticContact CD2-CG 3.7Å; F117-F347 HydrophobicContact CD2-CG 3.7Å; F117-F347 HydrophobicContact CE2-CB 4.39Å; F117-F347 HydrophobicContact CG-CD1 4.39Å
118Q85.3Confident75.9Confident132 Ų13244.5 Ų44.562%0.61723%0.231SC*.Hα-helixtrans-60.9-46.2176.5-173.5175.5-0.200111.4S116 L120 M121 T122S116-Q118 PolarHBondContact O-N 2.8Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 2.75Å; Q118-M121 PolarHBondContact O-N 2.61Å; Q118-T122 VanDerWaalsContact O-CG2 3.32Å; Q118-T122 WeakPolarHBondContact O-CG2 3.41Å; Q118-T122 PolarHBondContact O-N 2.97Å
119E84Confident77.2Confident35 Ų3539.9 Ų39.916%0.16420%0.202CC..Hα-helixtrans-61.1-42.3176.4-173.4-174.6169.100111.6Y113 M115 S116 F117 M121 T122 K123Y113-E119 PolarHBondContact OH-OE1 3.08Å; Y113-E119 PolarHBondContact OH-OE2 3.47Å; M115-E119 HydrophobicContact CG-CB 3.91Å; M115-E119 HydrophobicContact CG-CG 3.94Å; S116-E119 PolarHBondContact O-N 2.88Å; S116-E119 VanDerWaalsContact OG-CB 3.29Å; S116-E119 WeakPolarHBondContact OG-CB 3.47Å; S116-E119 PolarHBondContact OG-N 3.45Å; F117-E119 PolarHBondContact O-N 3.11Å; E119-M121 VanDerWaalsContact C-N 3.28Å; E119-M121 PolarHBondContact O-N 2.91Å; E119-T122 PolarHBondContact O-N 3.03Å; E119-T122 VanDerWaalsContact O-N 3.1Å; E119-T122 PolarHBondContact O-OG1 3.49Å; E119-K123 HydrophobicContact CG-CD 4.45Å; E119-K123 PolarHBondContact O-N 3Å; E119-K123 IonicContact OE1-NZ 3.35Å; E119-K123 PolarHBondContact OE1-NZ 3.13Å
120L87Confident78.9Confident0 Ų033.7 Ų33.70%017%0.169CC..Hα-helixtrans-56.3-44.5174.8-179.1146.5000111.6M115 S116 F117 Q118 T122 K123 A126 V127 F130 F347 F350M115-L120 HydrophobicContact SD-CB 3.93Å; S116-L120 PolarHBondContact O-N 3.09Å; F117-L120 WeakPolarHBondContact O-CB 3.26Å; F117-L120 PolarHBondContact O-N 2.72Å; Q118-L120 VanDerWaalsContact C-N 3.33Å; Q118-L120 PolarHBondContact O-N 2.75Å; L120-T122 PolarHBondContact O-N 3.31Å; L120-K123 PolarHBondContact O-N 2.62Å; L120-A126 HydrophobicContact CG-CB 3.98Å; L120-A126 WeakPolarHBondContact O-CB 3.48Å; L120-V127 WeakPolarHBondContact O-CG2 3.48Å; L120-F130 HydrophobicContact CD1-CB 4Å; L120-F130 HydrophobicContact CD1-CD2 4.49Å; L120-F130 HydrophobicContact CD1-CG 4.13Å; L120-F130 HydrophobicContact CD2-CB 3.87Å; L120-F130 HydrophobicContact CD2-CD1 3.65Å; L120-F130 HydrophobicContact CD2-CE1 4.44Å; L120-F130 HydrophobicContact CD2-CG 3.92Å; L120-F130 HydrophobicContact CG-CB 4.42Å; L120-F347 HydrophobicContact CB-CE2 4.26Å; L120-F347 HydrophobicContact CD1-CD2 3.89Å; L120-F347 HydrophobicContact CD1-CE2 3.46Å; L120-F347 VanDerWaalsContact CD1-CE2 3.46Å; L120-F347 HydrophobicContact CG-CE2 4.45Å; L120-F350 HydrophobicContact CD1-CD1 3.86Å; L120-F350 HydrophobicContact CD1-CE1 3.49Å; L120-F350 VanDerWaalsContact CD1-CE1 3.49Å
121M83.8Confident79.9Confident11 Ų1133.2 Ų33.25%0.05416%0.163CC..Hα-helixtrans-72.6-10.4-178.8-64.9-56.3-64.300114.1F117 Q118 E119 V127 L143 Y146F117-M121 HydrophobicContact CD1-CG 3.98Å; F117-M121 HydrophobicContact CE1-CG 3.51Å; F117-M121 HydrophobicContact CE1-SD 4.21Å; F117-M121 HydrophobicContact CE2-CG 4.31Å; F117-M121 HydrophobicContact CE2-SD 4.28Å; F117-M121 HydrophobicContact CZ-CG 3.7Å; F117-M121 HydrophobicContact CZ-SD 3.79Å; F117-M121 WeakPolarHBondContact O-CG 3.29Å; F117-M121 PolarHBondContact O-N 2.82Å; Q118-M121 PolarHBondContact O-N 2.61Å; E119-M121 VanDerWaalsContact C-N 3.28Å; E119-M121 PolarHBondContact O-N 2.91Å; M121-V127 HydrophobicContact SD-CG2 4.32Å; M121-L143 HydrophobicContact CE-CD1 3.71Å; M121-L143 HydrophobicContact SD-CD1 4.09Å; M121-Y146 HydrophobicContact CE-CD1 3.48Å; M121-Y146 VanDerWaalsContact CE-CD1 3.48Å; M121-Y146 HydrophobicContact CE-CE1 3.15Å
122T78.6Confident80.3Confident45 Ų4526.9 Ų26.928%0.27614%0.14SC..Hα-helixtrans-91.7-18.417563.70000113.9Q118 E119 L120 N168 D170Q118-T122 VanDerWaalsContact O-CG2 3.32Å; Q118-T122 WeakPolarHBondContact O-CG2 3.41Å; Q118-T122 PolarHBondContact O-N 2.97Å; E119-T122 PolarHBondContact O-N 3.03Å; E119-T122 VanDerWaalsContact O-N 3.1Å; E119-T122 PolarHBondContact O-OG1 3.49Å; L120-T122 PolarHBondContact O-N 3.31Å; T122-N168 VanDerWaalsContact CG2-O 3.29Å; T122-N168 WeakPolarHBondContact CG2-O 3.38Å; T122-D170 WeakPolarHBondContact O-CB 3.5Å
123K73.1Confident80.7Confident60 Ų6026.7 Ų26.726%0.26114%0.139SC..  trans-108.1119.4-175.3-66174.1177.2176.30110E119 L120 V125 A126 V127 L363E119-K123 HydrophobicContact CG-CD 4.45Å; E119-K123 PolarHBondContact O-N 3Å; E119-K123 IonicContact OE1-NZ 3.35Å; E119-K123 PolarHBondContact OE1-NZ 3.13Å; L120-K123 PolarHBondContact O-N 2.62Å; K123-V125 PolarHBondContact O-N 3.01Å; K123-A126 HydrophobicContact CB-CB 3.78Å; K123-A126 WeakPolarHBondContact O-CA 3.49Å; K123-A126 WeakPolarHBondContact O-CB 3.49Å; K123-A126 PolarHBondContact O-N 3.34Å; K123-V127 PolarHBondContact O-N 2.96Å; K123-L363 HydrophobicContact CD-CD1 3.88Å; K123-L363 HydrophobicContact CD-CD2 4.25Å
124S70.7Confident80.7Confident6 Ų625 Ų254%0.04213%0.132CC..Hα-helixtrans-55.1-47-178.441.40000113.5A126 V127 V128 S172S124-A126 PolarHBondContact O-N 3.17Å; S124-V127 PolarHBondContact O-N 3.2Å; S124-V128 WeakPolarHBondContact O-CB 3.48Å; S124-V128 VanDerWaalsContact O-CG2 3.3Å; S124-V128 WeakPolarHBondContact O-CG2 3.26Å; S124-V128 PolarHBondContact O-N 3.36Å; S124-S172 WeakPolarHBondContact CB-OG 3.49Å; S124-S172 PolarHBondContact OG-OG 3.46Å
125V71.9Confident80.3Confident14 Ų1424.5 Ų24.59%0.08514%0.135CC..Hα-helixtrans-57.4-36.6175.61730000112.1K123 C129 L359 E362 L363 Q792 F793K123-V125 PolarHBondContact O-N 3.01Å; V125-C129 WeakPolarHBondContact O-CB 3.43Å; V125-C129 PolarHBondContact O-N 3.37Å; V125-L359 HydrophobicContact CG1-CD1 3.88Å; V125-E362 HydrophobicContact CG1-CB 4.15Å; V125-E362 HydrophobicContact CG1-CG 3.56Å; V125-L363 HydrophobicContact CB-CD2 4.35Å; V125-L363 HydrophobicContact CG1-CD2 4.37Å; V125-Q792 WeakPolarHBondContact CG2-O 3.44Å; V125-F793 WeakPolarHBondContact CG2-O 3.36Å
126A82Confident80.1Confident0 Ų028 Ų280%016%0.16CC..Hα-helixtrans-73.4-42.7178.800000112.3M115 L120 K123 S124 V128 C129 F130 L359M115-A126 HydrophobicContact SD-CB 4.31Å; L120-A126 HydrophobicContact CG-CB 3.98Å; L120-A126 WeakPolarHBondContact O-CB 3.48Å; K123-A126 HydrophobicContact CB-CB 3.78Å; K123-A126 WeakPolarHBondContact O-CA 3.49Å; K123-A126 WeakPolarHBondContact O-CB 3.49Å; K123-A126 PolarHBondContact O-N 3.34Å; S124-A126 PolarHBondContact O-N 3.17Å; A126-V128 VanDerWaalsContact C-N 3.32Å; A126-V128 PolarHBondContact O-N 2.81Å; A126-C129 PolarHBondContact O-N 3.1Å; A126-F130 VanDerWaalsContact O-CB 3.28Å; A126-F130 WeakPolarHBondContact O-CB 3.43Å; A126-F130 PolarHBondContact O-N 3.3Å; A126-L359 VanDerWaalsContact CA-CD1 3.45Å; A126-L359 HydrophobicContact CB-CD1 3.83Å; A126-L359 HydrophobicContact CB-CD2 3.73Å; A126-L359 HydrophobicContact CB-CG 4.35Å
127V79.3Confident79.8Confident2 Ų228.1 Ų28.11%0.01216%0.155CC..Hα-helixtrans-60.1-43.5173.4175.80000111L120 M121 K123 S124 F130 L131 L143 L147 V173L120-V127 WeakPolarHBondContact O-CG2 3.48Å; M121-V127 HydrophobicContact SD-CG2 4.32Å; K123-V127 PolarHBondContact O-N 2.96Å; S124-V127 PolarHBondContact O-N 3.2Å; V127-F130 PolarHBondContact O-N 3.47Å; V127-L131 WeakPolarHBondContact O-CB 3.29Å; V127-L131 PolarHBondContact O-N 2.83Å; V127-L143 HydrophobicContact CG1-CD2 4.24Å; V127-L147 HydrophobicContact CG1-CD1 4.37Å; V127-V173 HydrophobicContact CG2-CG1 4.13Å; V127-V173 HydrophobicContact CG2-CG2 3.98Å
128V73.2Confident79.3Confident22 Ų2233.4 Ų33.413%0.13318%0.184CC..Hα-helixtrans-58.9-57.1175.51580000110.8S124 A126 F130 L131 D132 L176 T702 N706S124-V128 WeakPolarHBondContact O-CB 3.48Å; S124-V128 VanDerWaalsContact O-CG2 3.3Å; S124-V128 WeakPolarHBondContact O-CG2 3.26Å; S124-V128 PolarHBondContact O-N 3.36Å; A126-V128 VanDerWaalsContact C-N 3.32Å; A126-V128 PolarHBondContact O-N 2.81Å; V128-F130 PolarHBondContact O-N 3.04Å; V128-L131 WeakPolarHBondContact O-CB 3.34Å; V128-L131 PolarHBondContact O-N 3.35Å; V128-D132 VanDerWaalsContact O-CG 3.22Å; V128-D132 PolarHBondContact O-N 2.86Å; V128-L176 HydrophobicContact CG2-CD1 3.79Å; V128-L176 HydrophobicContact CG2-CD2 4.33Å; V128-T702 WeakPolarHBondContact CG1-O 3.1Å; V128-N706 WeakPolarHBondContact CG1-ND2 3.41Å; V128-N706 HydrophobicContact CG2-CB 4.09Å; V128-N706 VanDerWaalsContact CG2-CG 3.42Å; V128-N706 WeakPolarHBondContact CG2-ND2 3.3Å
129C78.2Confident79.2Confident16 Ų1630.2 Ų30.211%0.10817%0.169CC..Hα-helixtrans-59.5-35.5-178.4-170.50000112.1V125 A126 D132 F133 F350 Q355 L359V125-C129 WeakPolarHBondContact O-CB 3.43Å; V125-C129 PolarHBondContact O-N 3.37Å; A126-C129 PolarHBondContact O-N 3.1Å; C129-D132 PolarHBondContact O-N 2.86Å; C129-F133 PolarHBondContact O-N 3.48Å; C129-F133 VanDerWaalsContact O-N 3.08Å; C129-F350 HydrophobicContact CB-CZ 4.34Å; C129-Q355 PolarHBondContact SG-O 2.78Å; C129-Q355 VanDerWaalsContact SG-O 3.41Å; C129-L359 HydrophobicContact CB-CB 4.25Å; C129-L359 HydrophobicContact CB-CD1 4.16Å
130F85.8Confident78.9Confident0 Ų030.8 Ų30.80%017%0.171CC..Hα-helixtrans-69.6-40.9174.7-174.2-132.6000112.8F117 L120 A126 V127 V128 D132 F133 L134 L143 L341 C346 F347 F350F117-F130 AromaticContact CE2-CE1 3.79Å; F117-F130 HydrophobicContact CE2-CE1 3.79Å; F117-F130 HydrophobicContact CE2-CZ 4.21Å; L120-F130 HydrophobicContact CD1-CB 4Å; L120-F130 HydrophobicContact CD1-CD2 4.49Å; L120-F130 HydrophobicContact CD1-CG 4.13Å; L120-F130 HydrophobicContact CD2-CB 3.87Å; L120-F130 HydrophobicContact CD2-CD1 3.65Å; L120-F130 HydrophobicContact CD2-CE1 4.44Å; L120-F130 HydrophobicContact CD2-CG 3.92Å; L120-F130 HydrophobicContact CG-CB 4.42Å; A126-F130 VanDerWaalsContact O-CB 3.28Å; A126-F130 WeakPolarHBondContact O-CB 3.43Å; A126-F130 PolarHBondContact O-N 3.3Å; V127-F130 PolarHBondContact O-N 3.47Å; V128-F130 PolarHBondContact O-N 3.04Å; F130-D132 PolarHBondContact O-N 3.18Å; F130-F133 HydrophobicContact CD2-CD1 4.24Å; F130-F133 HydrophobicContact CE2-CD1 4.2Å; F130-F133 PolarHBondContact O-N 3.27Å; F130-L134 HydrophobicContact CD1-CD1 3.98Å; F130-L134 HydrophobicContact CD1-CG 4.49Å; F130-L134 HydrophobicContact CD2-CG 4.19Å; F130-L134 HydrophobicContact CE1-CD1 3.67Å; F130-L134 HydrophobicContact CE1-CG 4.24Å; F130-L134 HydrophobicContact CE2-CD1 4.26Å; F130-L134 HydrophobicContact CE2-CD2 3.91Å; F130-L134 HydrophobicContact CE2-CG 3.91Å; F130-L134 HydrophobicContact CG-CD1 4.4Å; F130-L134 HydrophobicContact CG-CG 4.47Å; F130-L134 HydrophobicContact CZ-CD1 3.83Å; F130-L134 HydrophobicContact CZ-CD2 3.86Å; F130-L134 HydrophobicContact CZ-CG 3.94Å; F130-L134 WeakPolarHBondContact O-CB 3.3Å; F130-L134 VanDerWaalsContact O-CG 3.28Å; F130-L134 WeakPolarHBondContact O-CG 3.38Å; F130-L134 PolarHBondContact O-N 2.94Å; F130-L143 HydrophobicContact CD1-CD2 3.89Å; F130-L341 HydrophobicContact CE1-CB 4.37Å; F130-L341 HydrophobicContact CE1-CD2 4.2Å; F130-L341 HydrophobicContact CZ-CD2 4.41Å; F130-C346 HydrophobicContact CZ-CB 4.37Å; F130-F347 HydrophobicContact CE2-CB 4.34Å; F130-F347 HydrophobicContact CE2-CD2 4.48Å; F130-F347 HydrophobicContact CZ-CB 4.2Å; F130-F350 HydrophobicContact CB-CE1 4.41Å; F130-F350 HydrophobicContact CB-CZ 4.48Å; F130-F350 HydrophobicContact CD2-CB 3.92Å; F130-F350 AromaticContact CD2-CD1 3.81Å; F130-F350 HydrophobicContact CD2-CD1 3.81Å; F130-F350 HydrophobicContact CD2-CD2 4.25Å; F130-F350 HydrophobicContact CD2-CE1 4.36Å; F130-F350 AromaticContact CD2-CG 3.73Å; F130-F350 HydrophobicContact CD2-CG 3.73Å; F130-F350 HydrophobicContact CE2-CB 3.94Å; F130-F350 HydrophobicContact CE2-CD1 4.45Å; F130-F350 HydrophobicContact CE2-CG 4.26Å
131L78Confident78.6Confident16 Ų1631.7 Ų31.78%0.08418%0.177CC..Hα-helixtrans-56.5-40.2174.1-176.564.5000111.2V127 V128 L134 A135 H140 L143 R144V127-L131 WeakPolarHBondContact O-CB 3.29Å; V127-L131 PolarHBondContact O-N 2.83Å; V128-L131 WeakPolarHBondContact O-CB 3.34Å; V128-L131 PolarHBondContact O-N 3.35Å; L131-L134 CarbonylContact O-C 3.51Å; L131-L134 PolarHBondContact O-N 2.69Å; L131-A135 WeakPolarHBondContact O-CB 3.38Å; L131-A135 PolarHBondContact O-N 3.27Å; L131-H140 HydrophobicContact CD1-CB 3.86Å; L131-L143 HydrophobicContact CB-CD2 3.7Å; L131-L143 HydrophobicContact CD1-CB 4.08Å; L131-L143 HydrophobicContact CD1-CD2 3.84Å; L131-L143 HydrophobicContact CD1-CG 4.15Å; L131-L143 HydrophobicContact CG-CD2 4.36Å; L131-R144 HydrophobicContact CD1-CG 4.12Å
132D69.5Low78.7Confident24 Ų2431.9 Ų31.913%0.12818%0.178CC..Hα-helixtrans-70.7-41.6179.1-55.1-44.4000112.5V128 C129 F130 L134 A135 S136 T702V128-D132 VanDerWaalsContact O-CG 3.22Å; V128-D132 PolarHBondContact O-N 2.86Å; C129-D132 PolarHBondContact O-N 2.86Å; F130-D132 PolarHBondContact O-N 3.18Å; D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.19Å; D132-A135 WeakPolarHBondContact O-CB 3.46Å; D132-A135 PolarHBondContact O-N 3.1Å; D132-A135 VanDerWaalsContact O-N 3.12Å; D132-S136 PolarHBondContact O-N 3.33Å; D132-T702 HydrophobicContact CB-CG2 3.54Å; D132-T702 WeakPolarHBondContact OD1-CA 3.5Å; D132-T702 WeakPolarHBondContact OD2-CA 3.26Å; D132-T702 WeakPolarHBondContact OD2-CB 3.5Å; D132-T702 WeakPolarHBondContact OD2-CG2 3.24Å
133F83.5Confident79Confident13 Ų1329.7 Ų29.76%0.05717%0.165CC..Hα-helixtrans-58.6-47.8170.9170.5-95.8000110.7C129 F130 A135 S136 I137 C346 A349 F350C129-F133 PolarHBondContact O-N 3.48Å; C129-F133 VanDerWaalsContact O-N 3.08Å; F130-F133 HydrophobicContact CD2-CD1 4.24Å; F130-F133 HydrophobicContact CE2-CD1 4.2Å; F130-F133 PolarHBondContact O-N 3.27Å; F133-A135 PolarHBondContact O-N 3.21Å; F133-S136 WeakPolarHBondContact O-CB 3.41Å; F133-S136 PolarHBondContact O-N 2.95Å; F133-S136 PolarHBondContact O-OG 2.96Å; F133-I137 HydrophobicContact CD1-CD1 4.44Å; F133-I137 HydrophobicContact CE1-CD1 3.71Å; F133-I137 HydrophobicContact CE1-CG1 4.37Å; F133-I137 HydrophobicContact CE2-CG2 4.47Å; F133-I137 HydrophobicContact CZ-CD1 4.15Å; F133-I137 HydrophobicContact CZ-CG2 4.18Å; F133-I137 PolarHBondContact O-N 3.47Å; F133-C346 VanDerWaalsContact CE1-O 3.27Å; F133-C346 WeakPolarHBondContact CE1-O 3.3Å; F133-A349 HydrophobicContact CE1-CB 4.14Å; F133-A349 VanDerWaalsContact CZ-C 3.45Å; F133-A349 HydrophobicContact CZ-CB 3.59Å; F133-F350 HydrophobicContact CB-CD2 3.44Å; F133-F350 VanDerWaalsContact CB-CD2 3.44Å; F133-F350 HydrophobicContact CB-CE2 3.91Å; F133-F350 HydrophobicContact CB-CG 4.38Å; F133-F350 HydrophobicContact CD1-CB 3.56Å; F133-F350 AromaticContact CD1-CD2 3.95Å; F133-F350 HydrophobicContact CD1-CD2 3.95Å; F133-F350 HydrophobicContact CD1-CG 4.14Å; F133-F350 HydrophobicContact CD2-CB 4.43Å; F133-F350 AromaticContact CD2-CD2 3.99Å; F133-F350 HydrophobicContact CD2-CD2 3.99Å; F133-F350 HydrophobicContact CE1-CB 3.74Å; F133-F350 HydrophobicContact CG-CB 3.94Å; F133-F350 AromaticContact CG-CD2 3.49Å; F133-F350 HydrophobicContact CG-CD2 3.49Å; F133-F350 VanDerWaalsContact CG-CD2 3.49Å; F133-F350 HydrophobicContact CG-CE2 4.42Å; F133-F350 HydrophobicContact CG-CG 4.14Å; F133-F350 HydrophobicContact CZ-CB 4.27Å; F133-F350 VanDerWaalsContact CZ-N 3.29Å
134L82.3Confident79.4Confident0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-60.7-32.6175.6-68.5176.5000111.6F130 L131 D132 I137 N138 K139 H140 L143 L341 C346F130-L134 HydrophobicContact CD1-CD1 3.98Å; F130-L134 HydrophobicContact CD1-CG 4.49Å; F130-L134 HydrophobicContact CD2-CG 4.19Å; F130-L134 HydrophobicContact CE1-CD1 3.67Å; F130-L134 HydrophobicContact CE1-CG 4.24Å; F130-L134 HydrophobicContact CE2-CD1 4.26Å; F130-L134 HydrophobicContact CE2-CD2 3.91Å; F130-L134 HydrophobicContact CE2-CG 3.91Å; F130-L134 HydrophobicContact CG-CD1 4.4Å; F130-L134 HydrophobicContact CG-CG 4.47Å; F130-L134 HydrophobicContact CZ-CD1 3.83Å; F130-L134 HydrophobicContact CZ-CD2 3.86Å; F130-L134 HydrophobicContact CZ-CG 3.94Å; F130-L134 WeakPolarHBondContact O-CB 3.3Å; F130-L134 VanDerWaalsContact O-CG 3.28Å; F130-L134 WeakPolarHBondContact O-CG 3.38Å; F130-L134 PolarHBondContact O-N 2.94Å; L131-L134 CarbonylContact O-C 3.51Å; L131-L134 PolarHBondContact O-N 2.69Å; D132-L134 VanDerWaalsContact C-N 3.32Å; D132-L134 PolarHBondContact O-N 3.19Å; L134-I137 HydrophobicContact CD2-CD1 4.06Å; L134-I137 HydrophobicContact CD2-CG1 4.49Å; L134-I137 CarbonylContact O-C 3.59Å; L134-I137 WeakPolarHBondContact O-CG1 2.98Å; L134-I137 PolarHBondContact O-N 2.94Å; L134-N138 CarbonylContact O-C 3.55Å; L134-N138 PolarHBondContact O-N 3.29Å; L134-K139 HydrophobicContact CD2-CB 4.1Å; L134-K139 PolarHBondContact O-N 2.99Å; L134-H140 HydrophobicContact CB-CB 4.12Å; L134-H140 PolarHBondContact O-N 3.06Å; L134-L143 HydrophobicContact CD1-CB 3.62Å; L134-L143 HydrophobicContact CD1-CD2 3.94Å; L134-L143 HydrophobicContact CD1-CG 4.41Å; L134-L341 HydrophobicContact CD1-CD2 3.66Å; L134-L341 HydrophobicContact CD2-CD2 4.43Å; L134-C346 HydrophobicContact CD2-CB 4.01Å
135A74.5Confident80.1Confident37 Ų3731.4 Ų31.431%0.30617%0.169SC..Hα-helixtrans-66.7-40.717500000111.2L131 D132 F133 I137 N138 H140L131-A135 WeakPolarHBondContact O-CB 3.38Å; L131-A135 PolarHBondContact O-N 3.27Å; D132-A135 WeakPolarHBondContact O-CB 3.46Å; D132-A135 PolarHBondContact O-N 3.1Å; D132-A135 VanDerWaalsContact O-N 3.12Å; F133-A135 PolarHBondContact O-N 3.21Å; A135-I137 PolarHBondContact O-N 2.84Å; A135-N138 PolarHBondContact O-N 3.26Å; A135-H140 HydrophobicContact CB-CB 3.98Å
136S80.7Confident80.8Confident74 Ų7431.9 Ų31.952%0.51717%0.17SC..Hα-helixtrans-61.6-25.6175.578.80000113.7D132 F133D132-S136 PolarHBondContact O-N 3.33Å; F133-S136 WeakPolarHBondContact O-CB 3.41Å; F133-S136 PolarHBondContact O-N 2.95Å; F133-S136 PolarHBondContact O-OG 2.96Å
137I85.4Confident80.9Confident60 Ų6032 Ų3231%0.30817%0.171SC..THydrogen-bonded Turntrans-105.913.9174.866167.6000113.2F133 L134 A135 K139 D345F133-I137 HydrophobicContact CD1-CD1 4.44Å; F133-I137 HydrophobicContact CE1-CD1 3.71Å; F133-I137 HydrophobicContact CE1-CG1 4.37Å; F133-I137 HydrophobicContact CE2-CG2 4.47Å; F133-I137 HydrophobicContact CZ-CD1 4.15Å; F133-I137 HydrophobicContact CZ-CG2 4.18Å; F133-I137 PolarHBondContact O-N 3.47Å; L134-I137 HydrophobicContact CD2-CD1 4.06Å; L134-I137 HydrophobicContact CD2-CG1 4.49Å; L134-I137 CarbonylContact O-C 3.59Å; L134-I137 WeakPolarHBondContact O-CG1 2.98Å; L134-I137 PolarHBondContact O-N 2.94Å; A135-I137 PolarHBondContact O-N 2.84Å; I137-K139 HydrophobicContact CD1-CB 4.25Å; I137-K139 HydrophobicContact CD1-CD 3.87Å; I137-K139 HydrophobicContact CD1-CG 4.22Å; I137-K139 HydrophobicContact CG1-CB 4.13Å; I137-K139 HydrophobicContact CG1-CD 4.43Å; I137-K139 HydrophobicContact CG1-CG 4.23Å; I137-K139 PolarHBondContact O-N 2.88Å; I137-D345 WeakPolarHBondContact CD1-O 3.35Å
138N78.2Confident81Confident134 Ų13432.1 Ų32.172%0.71717%0.171SC*.THydrogen-bonded Turntrans55.427.5-179.5-65.7-46.2000116L134 A135L134-N138 CarbonylContact O-C 3.55Å; L134-N138 PolarHBondContact O-N 3.29Å; A135-N138 PolarHBondContact O-N 3.26Å
139K84Confident81.7Confident66 Ų6631.1 Ų31.129%0.28717%0.165SC..  trans-109.79.2177-67-172.4-176.1174.40114L134 I137 S141 L142 C346L134-K139 HydrophobicContact CD2-CB 4.1Å; L134-K139 PolarHBondContact O-N 2.99Å; I137-K139 HydrophobicContact CD1-CB 4.25Å; I137-K139 HydrophobicContact CD1-CD 3.87Å; I137-K139 HydrophobicContact CD1-CG 4.22Å; I137-K139 HydrophobicContact CG1-CB 4.13Å; I137-K139 HydrophobicContact CG1-CD 4.43Å; I137-K139 HydrophobicContact CG1-CG 4.23Å; I137-K139 PolarHBondContact O-N 2.88Å; K139-S141 PolarHBondContact O-N 3.23Å; K139-L142 HydrophobicContact CB-CD1 4.33Å; K139-L142 WeakPolarHBondContact O-CB 3.39Å; K139-L142 PolarHBondContact O-N 2.83Å; K139-C346 VanDerWaalsContact CD-SG 3.52Å
140H77.8Confident81.9Confident47 Ų4730.6 Ų30.622%0.21816%0.161CC..Hα-helixtrans-62.8-24.5-176.463.6-95.2000113.9L131 L134 A135 L142 L143 R144L131-H140 HydrophobicContact CD1-CB 3.86Å; L134-H140 HydrophobicContact CB-CB 4.12Å; L134-H140 PolarHBondContact O-N 3.06Å; A135-H140 HydrophobicContact CB-CB 3.98Å; H140-L142 PolarHBondContact O-N 3.42Å; H140-L143 PolarHBondContact O-N 2.93Å; H140-R144 PolarHBondContact CD2-NH1 3.49Å; H140-R144 PolarHBondContact NE2-NH1 3Å; H140-R144 PolarHBondContact O-N 3.23Å; H140-R144 VanDerWaalsContact O-N 3.16Å
141S80Confident81.5Confident19 Ų1930.6 Ų30.613%0.13316%0.161CC..Hα-helixtrans-57.9-36.917651.30000111.9K139 L143 R144 L145K139-S141 PolarHBondContact O-N 3.23Å; S141-L143 PolarHBondContact O-N 3.29Å; S141-R144 PolarHBondContact O-N 3.03Å; S141-L145 WeakPolarHBondContact O-CB 3.36Å; S141-L145 WeakPolarHBondContact O-CD1 3.4Å; S141-L145 WeakPolarHBondContact O-CG 3.09Å; S141-L145 PolarHBondContact O-N 3.3Å
142L86.6Confident81.8Confident14 Ų1429.8 Ų29.87%0.07316%0.157CC..Hα-helixtrans-61.1-46178.4-65173.5000112.1K139 H140 L145 Y146 M303 I337 I340 L341K139-L142 HydrophobicContact CB-CD1 4.33Å; K139-L142 WeakPolarHBondContact O-CB 3.39Å; K139-L142 PolarHBondContact O-N 2.83Å; H140-L142 PolarHBondContact O-N 3.42Å; L142-L145 PolarHBondContact O-N 3.05Å; L142-Y146 PolarHBondContact O-N 2.85Å; L142-M303 HydrophobicContact CD2-SD 3.71Å; L142-I337 HydrophobicContact CB-CG2 4.37Å; L142-I337 WeakPolarHBondContact O-CG2 3.41Å; L142-I340 HydrophobicContact CD1-CG2 3.63Å; L142-L341 HydrophobicContact CB-CD2 3.85Å; L142-L341 HydrophobicContact CB-CG 4.45Å
143L85.1Confident82.5Confident0 Ų031.3 Ų31.30%016%0.161CC..Hα-helixtrans-67.7-39.1178.3-18058.8000111.4M121 V127 F130 L131 L134 H140 S141 L145 Y146 L147 L341M121-L143 HydrophobicContact CE-CD1 3.71Å; M121-L143 HydrophobicContact SD-CD1 4.09Å; V127-L143 HydrophobicContact CG1-CD2 4.24Å; F130-L143 HydrophobicContact CD1-CD2 3.89Å; L131-L143 HydrophobicContact CB-CD2 3.7Å; L131-L143 HydrophobicContact CD1-CB 4.08Å; L131-L143 HydrophobicContact CD1-CD2 3.84Å; L131-L143 HydrophobicContact CD1-CG 4.15Å; L131-L143 HydrophobicContact CG-CD2 4.36Å; L134-L143 HydrophobicContact CD1-CB 3.62Å; L134-L143 HydrophobicContact CD1-CD2 3.94Å; L134-L143 HydrophobicContact CD1-CG 4.41Å; H140-L143 PolarHBondContact O-N 2.93Å; S141-L143 PolarHBondContact O-N 3.29Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 PolarHBondContact O-N 3.31Å; L143-Y146 HydrophobicContact CD1-CD1 4.37Å; L143-Y146 WeakPolarHBondContact O-CB 3.47Å; L143-Y146 PolarHBondContact O-N 3.21Å; L143-L147 HydrophobicContact CD1-CG 4.38Å; L143-L147 HydrophobicContact CG-CD1 4.37Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.24Å; L143-L147 PolarHBondContact O-N 3.05Å; L143-L341 HydrophobicContact CB-CD1 4.36Å; L143-L341 HydrophobicContact CB-CD2 4.33Å; L143-L341 HydrophobicContact CD1-CD1 4.05Å
144R81.1Confident82.3Confident94 Ų9432.1 Ų32.136%0.35517%0.165SC..Hα-helixtrans-61.7-41.4173.5-69-174.2-174.9137.49.6112.2L131 H140 S141 L147 N148L131-R144 HydrophobicContact CD1-CG 4.12Å; H140-R144 PolarHBondContact CD2-NH1 3.49Å; H140-R144 PolarHBondContact NE2-NH1 3Å; H140-R144 PolarHBondContact O-N 3.23Å; H140-R144 VanDerWaalsContact O-N 3.16Å; S141-R144 PolarHBondContact O-N 3.03Å; R144-L147 PolarHBondContact O-N 3.48Å; R144-N148 WeakPolarHBondContact O-CB 3.41Å; R144-N148 VanDerWaalsContact O-CG 3.26Å; R144-N148 PolarHBondContact O-N 3.15Å
145L84.3Confident82.1Confident7 Ų732.7 Ų32.74%0.03717%0.171CC..Hα-helixtrans-63.7-43.7176.3-72.8162.7000111.7S141 L142 L143 N148 C149 N298 L299 F302 I337S141-L145 WeakPolarHBondContact O-CB 3.36Å; S141-L145 WeakPolarHBondContact O-CD1 3.4Å; S141-L145 WeakPolarHBondContact O-CG 3.09Å; S141-L145 PolarHBondContact O-N 3.3Å; L142-L145 PolarHBondContact O-N 3.05Å; L143-L145 VanDerWaalsContact C-N 3.34Å; L143-L145 PolarHBondContact O-N 3.31Å; L145-N148 PolarHBondContact O-N 2.77Å; L145-C149 PolarHBondContact O-N 3.39Å; L145-C149 PolarHBondContact O-SG 2.81Å; L145-N298 HydrophobicContact CD2-CB 3.84Å; L145-L299 HydrophobicContact CB-CD2 4.08Å; L145-L299 HydrophobicContact CD1-CD2 4.13Å; L145-L299 HydrophobicContact CD2-CD2 3.96Å; L145-L299 HydrophobicContact CD2-CG 4.08Å; L145-L299 HydrophobicContact CG-CD2 4.28Å; L145-F302 HydrophobicContact CD1-CB 3.7Å; L145-F302 HydrophobicContact CD1-CD2 4.21Å; L145-F302 HydrophobicContact CD1-CG 4.31Å; L145-I337 HydrophobicContact CB-CD1 4.13Å
146Y88.1Confident82.5Confident24 Ų2431.1 Ų31.19%0.09416%0.157CC..Hα-helixtrans-57.4-49.4172.9172-94.2000111.4M121 L142 L143 N148 C149 V150 E334 V338M121-Y146 HydrophobicContact CE-CD1 3.48Å; M121-Y146 VanDerWaalsContact CE-CD1 3.48Å; M121-Y146 HydrophobicContact CE-CE1 3.15Å; L142-Y146 PolarHBondContact O-N 2.85Å; L143-Y146 HydrophobicContact CD1-CD1 4.37Å; L143-Y146 WeakPolarHBondContact O-CB 3.47Å; L143-Y146 PolarHBondContact O-N 3.21Å; Y146-N148 VanDerWaalsContact C-N 3.33Å; Y146-N148 PolarHBondContact O-N 3.15Å; Y146-C149 WeakPolarHBondContact O-CB 3.04Å; Y146-C149 PolarHBondContact O-N 3.34Å; Y146-V150 HydrophobicContact CD1-CG2 4.28Å; Y146-V150 HydrophobicContact CE1-CG2 3.74Å; Y146-V150 HydrophobicContact CE2-CG2 4.19Å; Y146-V150 WeakPolarHBondContact O-CG2 3.31Å; Y146-V150 PolarHBondContact O-N 2.73Å; Y146-E334 HydrophobicContact CD2-CB 4.29Å; Y146-E334 HydrophobicContact CD2-CG 4.38Å; Y146-E334 HydrophobicContact CE2-CB 4.21Å; Y146-E334 HydrophobicContact CE2-CG 4.43Å; Y146-V338 HydrophobicContact CD2-CG2 3.71Å; Y146-V338 HydrophobicContact CE2-CG2 3.36Å
147L82.9Confident82.6Confident4 Ų428.5 Ų28.52%0.02114%0.139CC..Hα-helixtrans-60.5-42.7178.8-70.1176.3000111.2V127 L143 R144 C149 V150 S151 V173 A177V127-L147 HydrophobicContact CG1-CD1 4.37Å; L143-L147 HydrophobicContact CD1-CG 4.38Å; L143-L147 HydrophobicContact CG-CD1 4.37Å; L143-L147 VanDerWaalsContact O-CG 3.29Å; L143-L147 WeakPolarHBondContact O-CG 3.24Å; L143-L147 PolarHBondContact O-N 3.05Å; R144-L147 PolarHBondContact O-N 3.48Å; L147-C149 VanDerWaalsContact C-N 3.34Å; L147-C149 PolarHBondContact O-N 3.2Å; L147-V150 WeakPolarHBondContact O-CB 3.46Å; L147-V150 PolarHBondContact O-N 2.84Å; L147-S151 PolarHBondContact O-N 3.21Å; L147-V173 HydrophobicContact CD2-CG1 3.89Å; L147-A177 HydrophobicContact CB-CB 3.72Å; L147-A177 HydrophobicContact CD2-CB 4.22Å; L147-A177 HydrophobicContact CG-CB 4.47Å; L147-A177 VanDerWaalsContact O-CB 3.3Å; L147-A177 WeakPolarHBondContact O-CB 3.22Å
148N81.8Confident82.1Confident4 Ų431.5 Ų31.52%0.02115%0.15CC..Hα-helixtrans-61.2-39.4176-71.8-13000112.6R144 L145 Y146 S151 F152 S180 F291 I295R144-N148 WeakPolarHBondContact O-CB 3.41Å; R144-N148 VanDerWaalsContact O-CG 3.26Å; R144-N148 PolarHBondContact O-N 3.15Å; L145-N148 PolarHBondContact O-N 2.77Å; Y146-N148 VanDerWaalsContact C-N 3.33Å; Y146-N148 PolarHBondContact O-N 3.15Å; N148-S151 PolarHBondContact O-N 2.97Å; N148-F152 PolarHBondContact O-N 3.37Å; N148-S180 PolarHBondContact ND2-O 3.3Å; N148-S180 VanDerWaalsContact OD1-C 3.28Å; N148-S180 WeakPolarHBondContact OD1-CB 2.85Å; N148-S180 PolarHBondContact OD1-O 3.33Å; N148-F291 HydrophobicContact CB-CZ 4.26Å; N148-I295 HydrophobicContact CB-CD1 4.05Å; N148-I295 HydrophobicContact CB-CG1 4.07Å; N148-I295 WeakPolarHBondContact O-CD1 2.92Å
149C87.2Confident81.9Confident0 Ų028 Ų280%013%0.131CC..Hα-helixtrans-61.5-44.7174-63.50000111.6L145 Y146 L147 S151 F152 R153 F330 E334L145-C149 PolarHBondContact O-N 3.39Å; L145-C149 PolarHBondContact O-SG 2.81Å; Y146-C149 WeakPolarHBondContact O-CB 3.04Å; Y146-C149 PolarHBondContact O-N 3.34Å; L147-C149 VanDerWaalsContact C-N 3.34Å; L147-C149 PolarHBondContact O-N 3.2Å; C149-S151 PolarHBondContact O-N 3.36Å; C149-F152 WeakPolarHBondContact O-CB 3.41Å; C149-F152 PolarHBondContact O-N 3.2Å; C149-R153 PolarHBondContact O-N 3.22Å; C149-F330 HydrophobicContact CB-CB 3.84Å; C149-F330 HydrophobicContact CB-CG 4.19Å; C149-E334 HydrophobicContact CB-CG 3.48Å; C149-E334 VanDerWaalsContact CB-CG 3.48Å
150V83.5Confident81.4Confident5 Ų528.2 Ų28.23%0.0313%0.134CC..Hα-helixtrans-61.8-42.7175.5173.30000111.3Y146 L147 F152 R153 E154 I169 L174Y146-V150 HydrophobicContact CD1-CG2 4.28Å; Y146-V150 HydrophobicContact CE1-CG2 3.74Å; Y146-V150 HydrophobicContact CE2-CG2 4.19Å; Y146-V150 WeakPolarHBondContact O-CG2 3.31Å; Y146-V150 PolarHBondContact O-N 2.73Å; L147-V150 WeakPolarHBondContact O-CB 3.46Å; L147-V150 PolarHBondContact O-N 2.84Å; V150-F152 VanDerWaalsContact C-N 3.33Å; V150-F152 PolarHBondContact O-N 3.01Å; V150-R153 PolarHBondContact O-N 2.84Å; V150-E154 WeakPolarHBondContact O-CB 2.86Å; V150-E154 PolarHBondContact O-N 3.18Å; V150-I169 HydrophobicContact CB-CD1 4.45Å; V150-I169 HydrophobicContact CG1-CD1 3.58Å; V150-I169 HydrophobicContact CG2-CD1 3.94Å; V150-L174 HydrophobicContact CG1-CD1 4.25Å
151S77.5Confident80.1Confident0 Ų032 Ų320%016%0.163CC..Hα-helixtrans-62.9-38.9177-173.30000112L147 N148 C149 G155 R181L147-S151 PolarHBondContact O-N 3.21Å; N148-S151 PolarHBondContact O-N 2.97Å; C149-S151 PolarHBondContact O-N 3.36Å; S151-G155 PolarHBondContact O-N 3.25Å; S151-R181 PolarHBondContact OG-NE 3.08Å; S151-R181 VanDerWaalsContact OG-NE 3.17Å; S151-R181 PolarHBondContact OG-NH2 3.43Å
152F84.8Confident78.6Confident0 Ų038.6 Ų38.60%020%0.197CC..Hα-helixtrans-62.5-51.5174.1174.3-86.6000111N148 C149 V150 E154 G155 V156 L288 F291 I295 L318 L325 F330N148-F152 PolarHBondContact O-N 3.37Å; C149-F152 WeakPolarHBondContact O-CB 3.41Å; C149-F152 PolarHBondContact O-N 3.2Å; V150-F152 VanDerWaalsContact C-N 3.33Å; V150-F152 PolarHBondContact O-N 3.01Å; F152-E154 VanDerWaalsContact C-N 3.29Å; F152-E154 PolarHBondContact O-N 3.33Å; F152-G155 PolarHBondContact O-N 2.89Å; F152-G155 VanDerWaalsContact O-N 3.17Å; F152-V156 HydrophobicContact CD1-CG2 4.19Å; F152-V156 HydrophobicContact CD2-CG2 4.49Å; F152-V156 HydrophobicContact CE1-CG2 3.73Å; F152-V156 HydrophobicContact CE2-CG2 4.07Å; F152-V156 HydrophobicContact CZ-CG2 3.66Å; F152-V156 WeakPolarHBondContact O-CG2 3.33Å; F152-V156 PolarHBondContact O-N 3.11Å; F152-L288 VanDerWaalsContact CE2-O 3.26Å; F152-L288 WeakPolarHBondContact CE2-O 3.47Å; F152-F291 HydrophobicContact CB-CD1 4.21Å; F152-F291 HydrophobicContact CB-CE1 3.93Å; F152-F291 HydrophobicContact CD2-CD1 4.15Å; F152-I295 HydrophobicContact CB-CD1 3.91Å; F152-L318 HydrophobicContact CE1-CD2 4.15Å; F152-L318 HydrophobicContact CE2-CD2 3.88Å; F152-L318 HydrophobicContact CZ-CD2 3.38Å; F152-L325 HydrophobicContact CZ-CD2 4.28Å; F152-F330 HydrophobicContact CB-CD2 4.36Å; F152-F330 HydrophobicContact CB-CE2 4.28Å; F152-F330 AromaticContact CD1-CD2 3.42Å; F152-F330 HydrophobicContact CD1-CD2 3.42Å; F152-F330 VanDerWaalsContact CD1-CD2 3.42Å; F152-F330 AromaticContact CD1-CE2 3.52Å; F152-F330 HydrophobicContact CD1-CE2 3.52Å; F152-F330 HydrophobicContact CD2-CE2 4.05Å; F152-F330 AromaticContact CE1-CD2 3.83Å; F152-F330 HydrophobicContact CE1-CD2 3.83Å; F152-F330 AromaticContact CE1-CE2 3.77Å; F152-F330 HydrophobicContact CE1-CE2 3.77Å; F152-F330 HydrophobicContact CE2-CE2 4.26Å; F152-F330 AromaticContact CG-CD2 3.92Å; F152-F330 HydrophobicContact CG-CD2 3.92Å; F152-F330 AromaticContact CG-CE2 3.67Å; F152-F330 HydrophobicContact CG-CE2 3.67Å; F152-F330 HydrophobicContact CZ-CE2 4.14Å
153R84.3Confident76.6Confident55 Ų5539.8 Ų39.821%0.20821%0.209CC..Hα-helixtrans-55.1-45.9179.3173.7174.566.6-136.7-3.4111.8C149 V150 V156 S157 P327 E334C149-R153 PolarHBondContact O-N 3.22Å; V150-R153 PolarHBondContact O-N 2.84Å; R153-V156 PolarHBondContact O-N 3.47Å; R153-S157 WeakPolarHBondContact O-CB 3.45Å; R153-S157 PolarHBondContact O-N 2.94Å; R153-S157 PolarHBondContact O-OG 2.96Å; R153-P327 VanDerWaalsContact CB-O 3.27Å; R153-P327 WeakPolarHBondContact CB-O 3.32Å; R153-P327 HydrophobicContact CG-CB 4.19Å; R153-P327 VanDerWaalsContact CG-O 3.23Å; R153-P327 WeakPolarHBondContact CG-O 3.48Å; R153-E334 IonicContact CZ-OE1 3.82Å; R153-E334 IonicContact CZ-OE2 3.51Å; R153-E334 IonicContact NH1-OE1 3.09Å; R153-E334 PolarHBondContact NH1-OE1 2.98Å; R153-E334 VanDerWaalsContact NH1-OE1 3.09Å; R153-E334 IonicContact NH1-OE2 2.64Å; R153-E334 PolarHBondContact NH1-OE2 3.44Å; R153-E334 IonicContact NH2-OE2 3.63Å
154E77.7Confident74.4Confident31 Ų3146.2 Ų46.215%0.14525%0.248CC..Hα-helixtrans-67.2-42.6179.8-176.764.1-162.500111.8V150 F152 V156 S157 K158 L174V150-E154 WeakPolarHBondContact O-CB 2.86Å; V150-E154 PolarHBondContact O-N 3.18Å; F152-E154 VanDerWaalsContact C-N 3.29Å; F152-E154 PolarHBondContact O-N 3.33Å; E154-V156 VanDerWaalsContact C-N 3.32Å; E154-V156 PolarHBondContact O-N 2.94Å; E154-S157 PolarHBondContact O-N 3.12Å; E154-K158 HydrophobicContact CG-CD 4.4Å; E154-K158 WeakPolarHBondContact O-CG 3.39Å; E154-K158 PolarHBondContact O-N 3.17Å; E154-K158 WeakPolarHBondContact OE1-CE 3.35Å; E154-L174 HydrophobicContact CB-CD1 3.8Å; E154-L174 HydrophobicContact CG-CD1 3.86Å; E154-L174 HydrophobicContact CG-CD2 3.66Å; E154-L174 HydrophobicContact CG-CG 4.38Å
155G79.1Confident72.8Confident11 Ų1145.8 Ų45.811%0.11325%0.252CS..Hα-helixtrans-56.6-45.3175.100000112.3S151 F152S151-G155 PolarHBondContact O-N 3.25Å; F152-G155 PolarHBondContact O-N 2.89Å; F152-G155 VanDerWaalsContact O-N 3.17Å
156V83.2Confident71Confident4 Ų452.8 Ų52.82%0.02429%0.29CS..Hα-helixtrans-68.3-41175.8178.50000111.5F152 R153 E154 K158 L159 I160 L288 L325 P327F152-V156 HydrophobicContact CD1-CG2 4.19Å; F152-V156 HydrophobicContact CD2-CG2 4.49Å; F152-V156 HydrophobicContact CE1-CG2 3.73Å; F152-V156 HydrophobicContact CE2-CG2 4.07Å; F152-V156 HydrophobicContact CZ-CG2 3.66Å; F152-V156 WeakPolarHBondContact O-CG2 3.33Å; F152-V156 PolarHBondContact O-N 3.11Å; R153-V156 PolarHBondContact O-N 3.47Å; E154-V156 VanDerWaalsContact C-N 3.32Å; E154-V156 PolarHBondContact O-N 2.94Å; V156-K158 VanDerWaalsContact C-N 3.29Å; V156-K158 PolarHBondContact O-N 3.17Å; V156-L159 PolarHBondContact O-N 3.41Å; V156-L159 VanDerWaalsContact O-N 3.11Å; V156-I160 HydrophobicContact CG1-CD1 4.27Å; V156-L288 HydrophobicContact CG2-CD1 4.08Å; V156-L325 HydrophobicContact CG1-CB 3.84Å; V156-L325 WeakPolarHBondContact CG1-O 3.48Å; V156-L325 HydrophobicContact CG2-CB 4Å; V156-L325 HydrophobicContact CG2-CD1 4.1Å; V156-P327 HydrophobicContact CB-CB 4.1Å; V156-P327 HydrophobicContact CG1-CB 3.87Å; V156-P327 HydrophobicContact CG1-CG 4.37Å
157S81.3Confident69Low19 Ų1959.3 Ų59.313%0.13332%0.321CS..Hα-helixtrans-63.2-35-179.6-59.50000112.5R153 E154 L159 I160R153-S157 WeakPolarHBondContact O-CB 3.45Å; R153-S157 PolarHBondContact O-N 2.94Å; R153-S157 PolarHBondContact O-OG 2.96Å; E154-S157 PolarHBondContact O-N 3.12Å; S157-L159 PolarHBondContact O-N 3.45Å; S157-I160 PolarHBondContact O-N 2.51Å
158K75.6Confident67.6Low123 Ų12364.6 Ų64.654%0.53535%0.349SS..Hα-helixtrans-65.1-24.6175.4-74.5172-179.7170.20113.5E154 V156 E178E154-K158 HydrophobicContact CG-CD 4.4Å; E154-K158 WeakPolarHBondContact O-CG 3.39Å; E154-K158 PolarHBondContact O-N 3.17Å; E154-K158 WeakPolarHBondContact OE1-CE 3.35Å; V156-K158 VanDerWaalsContact C-N 3.29Å; V156-K158 PolarHBondContact O-N 3.17Å; K158-E178 IonicContact NZ-OE1 2.84Å; K158-E178 PolarHBondContact NZ-OE1 2.84Å
159L74.3Confident66.6Low62 Ų6266.7 Ų66.733%0.32536%0.36SS..Hα-helixtrans-84.4-15176.5-66.1174.6000113V156 S157 P161 I285 L288V156-L159 PolarHBondContact O-N 3.41Å; V156-L159 VanDerWaalsContact O-N 3.11Å; S157-L159 PolarHBondContact O-N 3.45Å; L159-P161 WeakPolarHBondContact O-CD 3.33Å; L159-I285 HydrophobicContact CD1-CG1 3.96Å; L159-L288 HydrophobicContact CD1-CD1 3.42Å; L159-L288 VanDerWaalsContact CD1-CD1 3.42Å; L159-L288 HydrophobicContact CG-CD1 4.38Å
160I72.8Confident65.1Low70 Ų7069 Ų6936%0.35937%0.372SS..SBendtrans-92.5114.4-178.8-60.5168.8000109.3V156 S157 N162 A163 P327V156-I160 HydrophobicContact CG1-CD1 4.27Å; S157-I160 PolarHBondContact O-N 2.51Å; I160-N162 PolarHBondContact O-N 2.76Å; I160-A163 HydrophobicContact CB-CB 4.13Å; I160-A163 HydrophobicContact CG2-CB 4.21Å; I160-A163 PolarHBondContact O-N 3.08Å; I160-P327 HydrophobicContact CD1-CG 3.94Å
161P50.9Low63.8Low125 Ų12573.7 Ų73.781%0.81240%0.402SS*.THydrogen-bonded Turntrans-68.412.7-170.322.2-30.8000116.9L159L159-P161 WeakPolarHBondContact O-CD 3.33Å
162N48.7Very low62.8Low159 Ų15974.8 Ų74.885%0.8541%0.41SS*.THydrogen-bonded Turntrans-155.122176.9-85.8-38.9000113.7I160 T164I160-N162 PolarHBondContact O-N 2.76Å; N162-T164 PolarHBondContact O-N 3.38Å
163A43.7Very low61.7Low39 Ų3974.9 Ų74.932%0.32241%0.411SS..  trans-71115178.500000111I160 I165I160-A163 HydrophobicContact CB-CB 4.13Å; I160-A163 HydrophobicContact CG2-CB 4.21Å; I160-A163 PolarHBondContact O-N 3.08Å; A163-I165 PolarHBondContact O-N 3.08Å
164T40.6Very low60.4Low135 Ų13573.5 Ų73.583%0.82841%0.408SS*.  trans-59.4104.8162.61.80000108.5N162 N166N162-T164 PolarHBondContact O-N 3.38Å; T164-N166 PolarHBondContact O-N 2.92Å; T164-N166 VanDerWaalsContact O-N 3.13Å
165I46.8Very low59.5Low85 Ų8573 Ų7344%0.43641%0.409SS..  trans-66.3112.1173.2-57.3173.4000106.9A163 Q167A163-I165 PolarHBondContact O-N 3.08Å; I165-Q167 HydrophobicContact CB-CG 4.27Å; I165-Q167 HydrophobicContact CG2-CG 3.82Å; I165-Q167 PolarHBondContact O-N 3.27Å
166N45.4Very low58.4Low154 Ų15472.9 Ų72.982%0.82441%0.405SS*.  trans-6883166-83.4-29.3000108T164 N168T164-N166 PolarHBondContact O-N 2.92Å; T164-N166 VanDerWaalsContact O-N 3.13Å; N166-N168 VanDerWaalsContact C-N 3.34Å; N166-N168 PolarHBondContact O-N 2.89Å
167Q48.2Very low57.2Low161 Ų16172.7 Ų72.775%0.75240%0.404SS*.  trans-67.685.9177.9-70.5-179.7-11.700110.4I165I165-Q167 HydrophobicContact CB-CG 4.27Å; I165-Q167 HydrophobicContact CG2-CG 3.82Å; I165-Q167 PolarHBondContact O-N 3.27Å
168N53.2Low55.9Low114 Ų11473.3 Ų73.361%0.6141%0.405SS*.  trans-118.6-5.7165.7-83.9-8.1000113T122 N166T122-N168 VanDerWaalsContact CG2-O 3.29Å; T122-N168 WeakPolarHBondContact CG2-O 3.38Å; N166-N168 VanDerWaalsContact C-N 3.34Å; N166-N168 PolarHBondContact O-N 2.89Å
169I59.1Low54.7Low48 Ų4869 Ų6925%0.24639%0.392CS..SBendtrans-116.1128.4-176.5-57.7176.6000108.2V150 V173V150-I169 HydrophobicContact CB-CD1 4.45Å; V150-I169 HydrophobicContact CG1-CD1 3.58Å; V150-I169 HydrophobicContact CG2-CD1 3.94Å; I169-V173 HydrophobicContact CG2-CB 3.74Å; I169-V173 HydrophobicContact CG2-CG1 3.66Å
170D57.2Low53.6Low50 Ų5066.9 Ų66.927%0.26738%0.383SS..  trans-62.8138.7-179.6-174.3-67.1000111.1T122 S172 V173 L174T122-D170 WeakPolarHBondContact O-CB 3.5Å; D170-S172 PolarHBondContact O-N 3.18Å; D170-S172 VanDerWaalsContact O-N 3.08Å; D170-S172 VanDerWaalsContact OD1-CB 3.22Å; D170-S172 WeakPolarHBondContact OD1-CB 3.46Å; D170-S172 PolarHBondContact OD1-N 3.06Å; D170-S172 PolarHBondContact OD1-OG 3.06Å; D170-V173 HydrophobicContact CB-CG2 4.16Å; D170-V173 WeakPolarHBondContact O-CA 3.49Å; D170-V173 WeakPolarHBondContact O-CB 3.02Å; D170-V173 PolarHBondContact O-N 2.87Å; D170-L174 PolarHBondContact O-N 3.37Å; D170-L174 VanDerWaalsContact O-N 3.08Å
171P55.8Low52.6Low102 Ų10267.9 Ų67.966%0.66238%0.382SS*.Hα-helixtrans-52.1-30.9177.3-27.334.8000114.3L174 A175P171-L174 WeakPolarHBondContact O-CB 3.36Å; P171-L174 PolarHBondContact O-N 3.47Å; P171-A175 PolarHBondContact O-N 3.02Å
172S55.4Low52.3Low23 Ų2366.5 Ų66.516%0.16137%0.366CS..Hα-helixtrans-69.7-35.7175.663.20000112.9S124 D170 L174 A175 L176S124-S172 WeakPolarHBondContact CB-OG 3.49Å; S124-S172 PolarHBondContact OG-OG 3.46Å; D170-S172 PolarHBondContact O-N 3.18Å; D170-S172 VanDerWaalsContact O-N 3.08Å; D170-S172 VanDerWaalsContact OD1-CB 3.22Å; D170-S172 WeakPolarHBondContact OD1-CB 3.46Å; D170-S172 PolarHBondContact OD1-N 3.06Å; D170-S172 PolarHBondContact OD1-OG 3.06Å; S172-L174 VanDerWaalsContact C-N 3.33Å; S172-A175 PolarHBondContact O-N 3.34Å; S172-L176 WeakPolarHBondContact O-CG 3.22Å; S172-L176 PolarHBondContact O-N 3.38Å; S172-L176 VanDerWaalsContact O-N 3.1Å
173V62.8Low51.9Low2 Ų266 Ų661%0.01236%0.358CS..Hα-helixtrans-68.2-38172.5177.50000110.3V127 L147 I169 D170 L176 A177V127-V173 HydrophobicContact CG2-CG1 4.13Å; V127-V173 HydrophobicContact CG2-CG2 3.98Å; L147-V173 HydrophobicContact CD2-CG1 3.89Å; I169-V173 HydrophobicContact CG2-CB 3.74Å; I169-V173 HydrophobicContact CG2-CG1 3.66Å; D170-V173 HydrophobicContact CB-CG2 4.16Å; D170-V173 WeakPolarHBondContact O-CA 3.49Å; D170-V173 WeakPolarHBondContact O-CB 3.02Å; D170-V173 PolarHBondContact O-N 2.87Å; V173-L176 WeakPolarHBondContact O-CB 3.43Å; V173-L176 PolarHBondContact O-N 3.34Å; V173-A177 PolarHBondContact O-N 2.99Å
174L57.5Low51.3Low27 Ų2767.9 Ų67.914%0.14137%0.374CS..Hα-helixtrans-65.2-40173.8-17872.6000111.9V150 E154 D170 P171 S172 L176 A177 E178V150-L174 HydrophobicContact CG1-CD1 4.25Å; E154-L174 HydrophobicContact CB-CD1 3.8Å; E154-L174 HydrophobicContact CG-CD1 3.86Å; E154-L174 HydrophobicContact CG-CD2 3.66Å; E154-L174 HydrophobicContact CG-CG 4.38Å; D170-L174 PolarHBondContact O-N 3.37Å; D170-L174 VanDerWaalsContact O-N 3.08Å; P171-L174 WeakPolarHBondContact O-CB 3.36Å; P171-L174 PolarHBondContact O-N 3.47Å; S172-L174 VanDerWaalsContact C-N 3.33Å; L174-L176 VanDerWaalsContact C-N 3.33Å; L174-L176 PolarHBondContact O-N 3.05Å; L174-A177 CarbonylContact O-C 3.58Å; L174-A177 WeakPolarHBondContact O-CA 3.09Å; L174-A177 VanDerWaalsContact O-CB 3.26Å; L174-A177 WeakPolarHBondContact O-CB 3.44Å; L174-A177 PolarHBondContact O-N 3.21Å; L174-E178 PolarHBondContact O-N 3.47Å
175A57.4Low50.7Low21 Ų2169 Ų6917%0.17437%0.373CS..Hα-helixtrans-59.8-44.5174.100000111P171 S172 A177 E178 A179 I713P171-A175 PolarHBondContact O-N 3.02Å; S172-A175 PolarHBondContact O-N 3.34Å; A175-A177 PolarHBondContact O-N 2.75Å; A175-E178 PolarHBondContact O-N 3.24Å; A175-A179 PolarHBondContact O-N 3.17Å; A175-I713 HydrophobicContact CB-CD1 4.21Å; A175-I713 WeakPolarHBondContact O-CD1 3.32Å
176L57.4Low49.6Very low7 Ų769.2 Ų69.24%0.03738%0.382CS..Hα-helixtrans-57.2-36.1172.9-69.1169.2000112.3V128 S172 V173 L174 S180 N706 I709V128-L176 HydrophobicContact CG2-CD1 3.79Å; V128-L176 HydrophobicContact CG2-CD2 4.33Å; S172-L176 WeakPolarHBondContact O-CG 3.22Å; S172-L176 PolarHBondContact O-N 3.38Å; S172-L176 VanDerWaalsContact O-N 3.1Å; V173-L176 WeakPolarHBondContact O-CB 3.43Å; V173-L176 PolarHBondContact O-N 3.34Å; L174-L176 VanDerWaalsContact C-N 3.33Å; L174-L176 PolarHBondContact O-N 3.05Å; L176-S180 PolarHBondContact O-N 2.86Å; L176-S180 VanDerWaalsContact O-N 3.11Å; L176-S180 PolarHBondContact O-OG 3.46Å; L176-N706 HydrophobicContact CD2-CB 4.35Å; L176-I709 HydrophobicContact CD2-CG2 4.13Å
177A58.2Low49Very low0 Ų066.7 Ų66.70%038%0.376CS..Hα-helixtrans-69.4-44.8175.100000113.1L147 V173 L174 A175 A179 S180 R181L147-A177 HydrophobicContact CB-CB 3.72Å; L147-A177 HydrophobicContact CD2-CB 4.22Å; L147-A177 HydrophobicContact CG-CB 4.47Å; L147-A177 VanDerWaalsContact O-CB 3.3Å; L147-A177 WeakPolarHBondContact O-CB 3.22Å; V173-A177 PolarHBondContact O-N 2.99Å; L174-A177 CarbonylContact O-C 3.58Å; L174-A177 WeakPolarHBondContact O-CA 3.09Å; L174-A177 VanDerWaalsContact O-CB 3.26Å; L174-A177 WeakPolarHBondContact O-CB 3.44Å; L174-A177 PolarHBondContact O-N 3.21Å; A175-A177 PolarHBondContact O-N 2.75Å; A177-A179 VanDerWaalsContact C-N 3.28Å; A177-A179 PolarHBondContact O-N 3.34Å; A177-S180 WeakPolarHBondContact O-CB 3.11Å; A177-S180 PolarHBondContact O-N 2.95Å; A177-R181 PolarHBondContact O-N 3.1Å
178E53.8Low47.9Very low33 Ų3366.2 Ų66.215%0.15438%0.379CS..Hα-helixtrans-62.5-32.6176.1-74178.1173.900112.3K158 L174 A175 R181K158-E178 IonicContact NZ-OE1 2.84Å; K158-E178 PolarHBondContact NZ-OE1 2.84Å; L174-E178 PolarHBondContact O-N 3.47Å; A175-E178 PolarHBondContact O-N 3.24Å; E178-R181 WeakPolarHBondContact O-CB 3.43Å; E178-R181 VanDerWaalsContact O-CD 3.32Å; E178-R181 WeakPolarHBondContact O-CD 3.49Å; E178-R181 WeakPolarHBondContact O-CG 3.07Å; E178-R181 PolarHBondContact O-N 3.11Å
179A50.5Low46.6Very low31 Ų3168.8 Ų68.826%0.25639%0.39SS..Hα-helixtrans-75.4-25.617000000115.5A175 A177 R181 I709 I713A175-A179 PolarHBondContact O-N 3.17Å; A177-A179 VanDerWaalsContact C-N 3.28Å; A177-A179 PolarHBondContact O-N 3.34Å; A179-R181 PolarHBondContact O-N 2.77Å; A179-I709 HydrophobicContact CB-CB 4.05Å; A179-I709 HydrophobicContact CB-CG1 4.13Å; A179-I709 HydrophobicContact CB-CG2 3.14Å; A179-I713 HydrophobicContact CB-CD1 3.39Å; A179-I713 HydrophobicContact CB-CG1 3.49Å; A179-I713 VanDerWaalsContact CB-CG1 3.49Å
180S50.3Low45Very low19 Ų1970.7 Ų70.713%0.13341%0.407CS..THydrogen-bonded Turntrans-71-5.9175.4-62.60000111.8N148 L176 A177 M182N148-S180 PolarHBondContact ND2-O 3.3Å; N148-S180 VanDerWaalsContact OD1-C 3.28Å; N148-S180 WeakPolarHBondContact OD1-CB 2.85Å; N148-S180 PolarHBondContact OD1-O 3.33Å; L176-S180 PolarHBondContact O-N 2.86Å; L176-S180 VanDerWaalsContact O-N 3.11Å; L176-S180 PolarHBondContact O-OG 3.46Å; A177-S180 WeakPolarHBondContact O-CB 3.11Å; A177-S180 PolarHBondContact O-N 2.95Å; S180-M182 PolarHBondContact O-N 3.08Å
181R51.6Low43.5Very low91 Ų9174.6 Ų74.634%0.34343%0.433SS..  trans-54.2107.4167.6-68.9-178.3179.1-165.90.2108.6S151 A177 E178 A179 E183 F291S151-R181 PolarHBondContact OG-NE 3.08Å; S151-R181 VanDerWaalsContact OG-NE 3.17Å; S151-R181 PolarHBondContact OG-NH2 3.43Å; A177-R181 PolarHBondContact O-N 3.1Å; E178-R181 WeakPolarHBondContact O-CB 3.43Å; E178-R181 VanDerWaalsContact O-CD 3.32Å; E178-R181 WeakPolarHBondContact O-CD 3.49Å; E178-R181 WeakPolarHBondContact O-CG 3.07Å; E178-R181 PolarHBondContact O-N 3.11Å; A179-R181 PolarHBondContact O-N 2.77Å; R181-E183 PolarHBondContact O-N 3.08Å; R181-F291 HydrophobicContact CB-CE2 4.23Å; R181-F291 HydrophobicContact CG-CE2 3.72Å; R181-F291 HydrophobicContact CG-CZ 3.7Å
182M45.8Very low42.1Very low96 Ų9675.4 Ų75.447%0.47344%0.436SS..PPolyproline II helixtrans-61.4128.1169.4-67.8-178.3178.700107.3S180 A184S180-M182 PolarHBondContact O-N 3.08Å; M182-A184 PolarHBondContact O-N 3.44Å
183E38.5Very low40.9Very low148 Ų14881.3 Ų81.369%0.69246%0.464SS*.PPolyproline II helixtrans-54.3123.5163.9-75.6170.2-169.700106.5R181 I185 K712R181-E183 PolarHBondContact O-N 3.08Å; E183-I185 PolarHBondContact O-N 2.68Å; E183-K712 IonicContact OE1-NZ 2.76Å; E183-K712 PolarHBondContact OE1-NZ 3.43Å
184A33Very low39.1Very low78 Ų7888.6 Ų88.665%0.64550%0.502SS*.PPolyproline II helixtrans-50.8127.4173.800000107.4M182 S186M182-A184 PolarHBondContact O-N 3.44Å; A184-S186 PolarHBondContact O-N 2.72Å
185I26Very low37.5Very low159 Ų15993.7 Ų93.782%0.81553%0.534SS*.PPolyproline II helixtrans-50.6119171.6-62.4170.7000105.8E183 S187E183-I185 PolarHBondContact O-N 2.68Å; I185-S187 PolarHBondContact O-N 2.8Å
186S25.7Very low36.1Very low90 Ų90100 Ų10063%0.62957%0.565SS**  trans-38.5125.7176.2-173.20000109.3A184 D188A184-S186 PolarHBondContact O-N 2.72Å; S186-D188 PolarHBondContact O-N 2.98Å
187S31Very low34.5Very low100 Ų100107.7 Ų107.770%0.69961%0.606SS**THydrogen-bonded Turntrans-66.525.6-170.757.70000115.2I185 M189I185-S187 PolarHBondContact O-N 2.8Å; S187-M189 VanDerWaalsContact C-N 3.28Å
188D26Very low32.8Very low151 Ų151115.4 Ų115.481%0.80765%0.646SS**THydrogen-bonded Turntrans-861.4173.3-81.3-14.1000113.1S186S186-D188 PolarHBondContact O-N 2.98Å
189M25.5Very low31.4Very low169 Ų169119.6 Ų119.683%0.83368%0.678SS**SBendtrans-98.882.8162.4-159.7169.4-150.600109.3S187 T191S187-M189 VanDerWaalsContact C-N 3.28Å; M189-T191 PolarHBondContact O-N 2.78Å
190S26.2Very low30Very low88 Ų88126.5 Ų126.562%0.61571%0.71SS**  trans1.6108.1162.5-66.80000115.3T192S190-T192 PolarHBondContact O-N 3.36Å
191T24.9Very low28.7Very low131 Ų131132.8 Ų132.880%0.80474%0.742SS**SBendtrans-65.734.7169.4-25.90000113.1M189M189-T191 PolarHBondContact O-N 2.78Å
192T27.6Very low27.5Very low119 Ų119134.1 Ų134.173%0.7376%0.762SS**  trans-9910.9-179.1-15.70000113.3S190S190-T192 PolarHBondContact O-N 3.36Å
193I28.6Very low26.4Very low147 Ų147135.5 Ų135.575%0.75478%0.776SS**SBendtrans-126.6123.6174-48.2-178.8000106.9
194I25.2Very low25.7Very low156 Ų156135.9 Ų135.980%0.878%0.783SS**SBendtrans88.158.9-177.8-37.7163.2000114.8
195T25.5Very low25.3Very low134 Ų134137.9 Ų137.982%0.82279%0.79SS**SBendtrans-137.2-7.614135.20000114.6
196D26.2Very low25.2Very low154 Ų154138.6 Ų138.682%0.82479%0.793SS**SBendtrans-104.12.7-173.3-95.1-18.4000117.6L198D196-L198 VanDerWaalsContact C-N 3.35Å; D196-L198 PolarHBondContact O-N 3.48Å
197D24.3Very low25Very low168 Ų168143 Ų14390%0.89880%0.804SS**  trans-91.826-174.3-113.1-11.1000116
198L22.9Very low24.4Very low161 Ų161145.5 Ų145.584%0.84381%0.807SS**SBendtrans-124.647.1167.7-72.8175.8000112.3D196D196-L198 VanDerWaalsContact C-N 3.35Å; D196-L198 PolarHBondContact O-N 3.48Å
199C24.6Very low24.1Very low121 Ų121144.7 Ų144.782%0.81881%0.808SS**  trans-138.684.9160.2-84.80000110.2N201C199-N201 PolarHBondContact O-N 2.9Å
200L21Very low23.8Very low177 Ų177143.5 Ų143.593%0.92781%0.805SS**  trans-57.2106161.9-71.5164.2000109.2
201N23.8Very low23.7Very low150 Ų150145.3 Ų145.380%0.80281%0.813SS**  trans-142.3113.9151.2-105.2-22.5000110.1C199 T203C199-N201 PolarHBondContact O-N 2.9Å; N201-T203 PolarHBondContact O-N 2.73Å
202P24.7Very low23.6Very low119 Ų119145.8 Ų145.877%0.77381%0.81SS**  trans-87.7109.4-172.832.4-29.7000110.7
203T23.2Very low23.2Very low126 Ų126149 Ų14977%0.77381%0.814SS**  trans-150.1105.3160.119.50000111.7N201N201-T203 PolarHBondContact O-N 2.73Å
204N24.6Very low23Very low156 Ų156150.5 Ų150.583%0.83482%0.818SS**  trans70.6133.1155.6-70-19.7000121.5
205P24Very low22.8Very low120 Ų120148.8 Ų148.878%0.77982%0.815SS**  trans-97.2144.3-168.837.7-28.8000112.3
206I24.7Very low22.4Very low173 Ų173150.4 Ų150.489%0.88782%0.818SS**  trans-132.3136.8164.6-60.5-179.9000109.5
207E20.1Very low22.1Very low184 Ų184148.7 Ų148.786%0.8682%0.818SS**  trans-69.9152.2-160-72.1165.8135.900116.5
208I18.8Very low21.8Very low151 Ų151147 Ų14777%0.77481%0.813SS**  trans-74.5128.2169.7-63.1158.8000109.2
209T20.3Very low21.6Very low135 Ų135144.5 Ų144.583%0.82881%0.81SS**  trans-125.7114.4157.3500000110.6
210N19.3Very low21.3Very low144 Ų144149.1 Ų149.177%0.7781%0.811SS**  trans-67.1139.6167-75.5-41.4000111.9
211T23.4Very low21.3Very low126 Ų126145.6 Ų145.677%0.77380%0.801SS**  trans-160.2103143.636.10000105.6
212D22.7Very low21Very low140 Ų140146.3 Ų146.375%0.74980%0.804SS**  79.7109.592.8-79.3-33000114.5
213K19.9Very low20.8Very low187 Ų187148.1 Ų148.181%0.81381%0.807SS**  trans24.3123.7139-63.5174.8174.2172.90118.3
214E23.6Very low20.7Very low179 Ų179152.2 Ų152.284%0.83682%0.815SS**  176.3128.9105.6-96.8179178.500113.5
215T20.7Very low20.5Very low119 Ų119153 Ų15373%0.7381%0.813SS**  trans48.7104.814356.70000122.3
216L18Very low20.4Very low168 Ų168150.7 Ų150.788%0.8881%0.812SS**  trans-5116130.8-73.2150.9000117.1
217S19.2Very low20.4Very low119 Ų119149.2 Ų149.283%0.83281%0.811SS**  trans-138130.7145.859.80000110
218V17.6Very low20.3Very low132 Ų132149.1 Ų149.180%0.881%0.811SS**  trans-100.2117.3-177.8171.80000107.6
219S20Very low20.5Very low109 Ų109148.7 Ų148.776%0.76282%0.815SS**  trans-161.8120.5155.2490000112.4
220Y18.4Very low20.4Very low218 Ų218151 Ų15186%0.85582%0.816SS**  trans-3.3141.7156.8-74.1-88.4000122.1
221S20Very low20.5Very low103 Ų103150.7 Ų150.772%0.7282%0.82SS**  trans96.3108.1142.8-60.20000118.9
222L19Very low20.4Very low165 Ų165149 Ų14986%0.86482%0.818SS**  trans27.2105.1134.3-72.9162.4000116.7
223N19.5Very low20.2Very low156 Ų156147 Ų14783%0.83482%0.816SS**  trans-153.2108.3144-90.7-30.6000108.6E225N223-E225 PolarHBondContact O-N 3.12Å
224F21.2Very low20.2Very low212 Ų212144.9 Ų144.993%0.9381%0.813SS**  trans-80.399.2160.9-158-95.4000106G226F224-G226 PolarHBondContact O-N 3.18Å
225E20.4Very low20Very low172 Ų172144 Ų14480%0.80481%0.813SS**PPolyproline II helixtrans-63116.6172.7-75.7-178.5145.500109.8N223N223-E225 PolarHBondContact O-N 3.12Å
226G21.3Very low20Very low72 Ų72143.4 Ų143.474%0.74281%0.813SS**PPolyproline II helixtrans-72.6122.3149.500000108.4F224 Q228F224-G226 PolarHBondContact O-N 3.18Å; G226-Q228 PolarHBondContact O-N 3.5Å
227T24.4Very low20.1Very low142 Ų142142.1 Ų142.187%0.87181%0.807SS**PPolyproline II helixtrans-62.6127.7170.540.60000110.9
228Q18.9Very low20.4Very low183 Ų183144.3 Ų144.386%0.85581%0.809SS**  trans-42.1132.2170.5-64.2166.1-5.700113.5G226G226-Q228 PolarHBondContact O-N 3.5Å
229T22.5Very low20.6Very low142 Ų142146.5 Ų146.587%0.87181%0.811SS**  -159.7115.2118.5-19.30000109.6
230E18.4Very low20.9Very low182 Ų182149 Ų14985%0.8581%0.814SS**  trans-59.9142.8160.6-63.1172.7141.900109.4
231V21.7Very low21.1Very low139 Ų139144.5 Ų144.584%0.84281%0.805SS**  175.8131.1112-171.10000109.2
232A21.5Very low21.4Very low89 Ų89147.6 Ų147.674%0.73681%0.812SS**  trans70.3113.5154.600000122.2
233S18.6Very low21.4Very low100 Ų100147.8 Ų147.870%0.69981%0.81SS**  trans-47.5129.714451.60000114.8
234N20.5Very low21.7Very low141 Ų141143.6 Ų143.675%0.75481%0.805SS**  154.9131.2120.5-83-25.8000112.1
235L19Very low21.8Very low160 Ų160143.5 Ų143.584%0.83880%0.804SS**  trans12.1120.7141.5-66.5156.7000117.2
236C20.5Very low21.7Very low107 Ų107144 Ų14472%0.72381%0.806SS**  171.8125.4115.5-87.30000109.7
237D20.2Very low21.8Very low141 Ų141147.9 Ų147.975%0.75481%0.81SS**  trans28.2111.7131.7-52.3-31.6000117.5
238N25.3Very low21.8Very low166 Ų166146.8 Ų146.889%0.88881%0.808SS**  trans-134.3103.4142.2-90.4-38.6000109.1
239E21.3Very low21.8Very low178 Ų178145.6 Ų145.683%0.83281%0.806SS**  trans-44.7129.3156.7-59.117114200110.9
240I27.2Very low21.8Very low161 Ų161145.2 Ų145.283%0.82680%0.804SS**  trans-129.6101.9141-63.2-175.6000106.7
241D21.2Very low21.8Very low124 Ų124142.4 Ų142.466%0.66380%0.799SS**  trans-59.8128170.6-172.38.6000111.2M243D241-M243 WeakPolarHBondContact OD1-CG 3.29Å; D241-M243 PolarHBondContact OD1-N 2.77Å; D241-M243 VanDerWaalsContact OD1-N 3.15Å
242L27.7Very low21.9Very low168 Ų168141.7 Ų141.788%0.8880%0.8SS**  trans-142.864.8162.7-105.7150.4000108.1G244L242-G244 PolarHBondContact O-N 2.77Å
243M19.3Very low21.7Very low168 Ų168145 Ų14583%0.82880%0.804SS**  trans-48.9123.8156.5-80.1-92.9-73.500111.6D241D241-M243 WeakPolarHBondContact OD1-CG 3.29Å; D241-M243 PolarHBondContact OD1-N 2.77Å; D241-M243 VanDerWaalsContact OD1-N 3.15Å
244G23.9Very low21.9Very low69 Ų69148.6 Ų148.671%0.71182%0.816SS**  trans-176.781.3175.600000116.1L242L242-G244 PolarHBondContact O-N 2.77Å
245K24.1Very low21.9Very low210 Ų210151.2 Ų151.291%0.91382%0.823SS**  trans87.191.3150.6-63.6180174.3176.10118.9
246E19.2Very low22.1Very low182 Ų182147 Ų14785%0.8582%0.819SS**  trans-60.7133.3133.8-63177.6148.100110.2
247D22.3Very low22.3Very low153 Ų153151.4 Ų151.482%0.81883%0.829SS**  trans169.8110136.7-93.1-22.4000109.4
248S25Very low22.3Very low119 Ų119153.9 Ų153.983%0.83284%0.836SS**  trans169.690.3130.3-76.90000110.6
249I19Very low22.3Very low158 Ų158154.6 Ų154.681%0.8183%0.834SS**  trans-78.8123153-65.9169.2000106.6T251I249-T251 HydrophobicContact CG2-CG2 4.48Å
250T21.4Very low22.3Very low135 Ų135154.1 Ų154.183%0.82884%0.837SS**  trans-132.5117150.646.90000110
251T18.6Very low22.1Very low123 Ų123152 Ų15276%0.75583%0.832SS**  trans-65.7135.7169.643.90000111.5I249I249-T251 HydrophobicContact CG2-CG2 4.48Å
252S23.2Very low22.1Very low123 Ų123153.9 Ų153.986%0.8684%0.839SS**  trans-143.8123.5142.8500000109.2
253L18.4Very low22Very low159 Ų159151.9 Ų151.983%0.83283%0.833SS**  trans-77.4138.5173.6-69.3144.3000107.9
254D22.9Very low22.3Very low175 Ų175149.9 Ų149.994%0.93683%0.825SS**  trans-150.4132.3140.9-106.8-22.3000110.3
255E20.1Very low22.5Very low196 Ų196151.1 Ų151.192%0.91682%0.815SS**  trans-78.3140.1-175.8-60.4177.7147.200110.6
256G24Very low22.9Very low73 Ų73149.1 Ų149.175%0.75381%0.809SS**  trans175.486.9174.700000114.2
257E23.8Very low23.4Very low198 Ų198146.8 Ų146.893%0.92580%0.798SS**  trans36.8113154.9-65.3-172.9155.100120.8Q259E257-Q259 PolarHBondContact O-N 3.18Å
258Q20.7Very low23.9Very low193 Ų193144.5 Ų144.590%0.90279%0.785SS**  trans-66.6114.8169.8-65.5166.7-12.200111.9
259Q23.9Very low24Very low182 Ų182146.9 Ų146.985%0.8578%0.78SS**  trans-125.6106150.7-82.9-177.4-600109.1E257 T261E257-Q259 PolarHBondContact O-N 3.18Å; Q259-T261 PolarHBondContact O-N 2.76Å
260N21.8Very low24.6Very low168 Ų168145.9 Ų145.990%0.89877%0.77SS**  trans-60.299.9172-79.4-28.1000110
261T22.5Very low25Very low115 Ų115143.9 Ų143.971%0.70675%0.754SS**  trans-129.6113156.9-57.20000107.6Q259 V263Q259-T261 PolarHBondContact O-N 2.76Å; T261-V263 VanDerWaalsContact C-N 3.34Å; T261-V263 PolarHBondContact O-N 2.75Å
262M21.9Very low25.6Very low164 Ų164143.3 Ų143.381%0.80875%0.745SS**  trans-63.290.1178.6-176.8176.3166.600109.2I264M262-I264 VanDerWaalsContact C-N 3.34Å; M262-I264 HydrophobicContact CE-CD1 3.82Å; M262-I264 HydrophobicContact CE-CG1 3.85Å; M262-I264 HydrophobicContact CG-CG1 4.01Å; M262-I264 PolarHBondContact O-N 3.46Å; M262-I264 VanDerWaalsContact O-N 3.1Å
263V25.2Very low25.9Very low127 Ų127144.2 Ų144.277%0.7774%0.74SS**  trans-76.192168-179.60000106.8T261 N265T261-V263 VanDerWaalsContact C-N 3.34Å; T261-V263 PolarHBondContact O-N 2.75Å; V263-N265 PolarHBondContact O-N 3.37Å
264I26.2Very low26.6Very low125 Ų125142.3 Ų142.364%0.64173%0.727SS**  trans-67.9115.9165.1-53.5175.4000106M262 E266M262-I264 VanDerWaalsContact C-N 3.34Å; M262-I264 HydrophobicContact CE-CD1 3.82Å; M262-I264 HydrophobicContact CE-CG1 3.85Å; M262-I264 HydrophobicContact CG-CG1 4.01Å; M262-I264 PolarHBondContact O-N 3.46Å; M262-I264 VanDerWaalsContact O-N 3.1Å; I264-E266 PolarHBondContact O-N 2.93Å
265N28.9Very low27.1Very low96 Ų96141.3 Ų141.351%0.51371%0.714SS.*  trans-42.5109176.6-103.8-15.8000111.8V263 E267 I268V263-N265 PolarHBondContact O-N 3.37Å; N265-E267 HydrophobicContact CB-CB 4.49Å; N265-E267 PolarHBondContact O-N 3.27Å; N265-I268 HydrophobicContact CB-CG1 4.48Å; N265-I268 PolarHBondContact O-N 3.46Å
266E31.1Very low28.2Very low167 Ų167134.9 Ų134.978%0.7869%0.691SS**Hα-helixtrans-58.7-15168.9-78.5-144.3143.500112.6I264 I268 K269 K270I264-E266 PolarHBondContact O-N 2.93Å; E266-I268 VanDerWaalsContact C-N 3.33Å; E266-I268 PolarHBondContact O-N 2.94Å; E266-K269 PolarHBondContact O-N 3.39Å; E266-K270 PolarHBondContact O-N 3.02Å; E266-K270 VanDerWaalsContact O-N 3.09Å
267E30.5Very low29Very low133 Ų133133.1 Ų133.162%0.62167%0.672SS**Hα-helixtrans-68.1-29.2178.9-148.7154.8-154.200113.1N265 N271N265-E267 HydrophobicContact CB-CB 4.49Å; N265-E267 PolarHBondContact O-N 3.27Å; E267-N271 WeakPolarHBondContact O-CB 3.14Å; E267-N271 VanDerWaalsContact O-CG 3.32Å; E267-N271 PolarHBondContact O-N 3.35Å; E267-N271 PolarHBondContact O-ND2 3.43Å; E267-N271 VanDerWaalsContact O-ND2 3.16Å
268I33.3Very low30.3Very low106 Ų106129.6 Ų129.654%0.54466%0.66SS.*Hα-helixtrans-76.7-35.1175-61.2176.2000110.6N265 E266 I272N265-I268 HydrophobicContact CB-CG1 4.48Å; N265-I268 PolarHBondContact O-N 3.46Å; E266-I268 VanDerWaalsContact C-N 3.33Å; E266-I268 PolarHBondContact O-N 2.94Å; I268-I272 HydrophobicContact CG2-CD1 3.78Å; I268-I272 WeakPolarHBondContact O-CG1 3.1Å; I268-I272 PolarHBondContact O-N 3.46Å
269K26.8Very low32Very low168 Ų168126.1 Ų126.173%0.7365%0.647SS**Hα-helixtrans-69.2-36.7178.2-112.7-179.5177.8-178.40112.1E266 L273E266-K269 PolarHBondContact O-N 3.39Å; K269-L273 PolarHBondContact O-N 3.04Å
270K30.7Very low33.6Very low137 Ų137122.8 Ų122.860%0.59663%0.634SS**Hα-helixtrans-71.6-39.6178.1-144.9178.5-178.7-173.70112.4E266 I272 L273 E274E266-K270 PolarHBondContact O-N 3.02Å; E266-K270 VanDerWaalsContact O-N 3.09Å; K270-I272 PolarHBondContact O-N 3.14Å; K270-L273 PolarHBondContact O-N 3.19Å; K270-E274 PolarHBondContact O-N 3.16Å
271N30.8Very low35.6Very low93 Ų93117.9 Ų117.950%0.49761%0.61SS.*Hα-helixtrans-70.8-24.6179.8-75.5-24.5000114.5E267E267-N271 WeakPolarHBondContact O-CB 3.14Å; E267-N271 VanDerWaalsContact O-CG 3.32Å; E267-N271 PolarHBondContact O-N 3.35Å; E267-N271 PolarHBondContact O-ND2 3.43Å; E267-N271 VanDerWaalsContact O-ND2 3.16Å
272I31Very low37.9Very low111 Ų111115.5 Ų115.557%0.56959%0.593SS**Hα-helixtrans-84.2-31.3177.4-65.6171000111.6I268 K270 S276I268-I272 HydrophobicContact CG2-CD1 3.78Å; I268-I272 WeakPolarHBondContact O-CG1 3.1Å; I268-I272 PolarHBondContact O-N 3.46Å; K270-I272 PolarHBondContact O-N 3.14Å; I272-S276 PolarHBondContact O-OG 3.04Å
273L30.1Very low40.5Very low143 Ų143112.1 Ų112.175%0.74958%0.578SS**Hα-helixtrans-80.3-30.5-179.1-132.485.8000113.4K269 K270K269-L273 PolarHBondContact O-N 3.04Å; K270-L273 PolarHBondContact O-N 3.19Å
274E32.1Very low42.9Very low119 Ų119107.8 Ų107.856%0.55655%0.554SS**Hα-helixtrans-83.3-36.5179-72.4176.7-17500112.4K270 S276K270-E274 PolarHBondContact O-N 3.16Å; E274-S276 PolarHBondContact O-N 3.35Å
275K33.4Very low45.6Very low153 Ų153102.9 Ų102.967%0.66553%0.529SS*.Hα-helixtrans-71.9-28.7-179.7-79-173172.2-173.90114.9
276S42.9Very low48.1Very low62 Ų62102.8 Ų102.843%0.43453%0.525SS..Hα-helixtrans-77.2-22.9-178.551.40000113.5I272 E274 I280I272-S276 PolarHBondContact O-OG 3.04Å; E274-S276 PolarHBondContact O-N 3.35Å; S276-I280 WeakPolarHBondContact O-CD1 3.17Å; S276-I280 VanDerWaalsContact O-CG1 3.23Å; S276-I280 WeakPolarHBondContact O-CG1 3.37Å
277G41.2Very low50.4Low35 Ų35100.4 Ų100.436%0.36151%0.514SS..Hα-helixtrans-76.8-48.5179.700000113.1I280 V281G277-I280 PolarHBondContact O-N 3.45Å; G277-V281 WeakPolarHBondContact O-CG2 3.29Å; G277-V281 PolarHBondContact O-N 3.19Å
278D51Low53Low125 Ų12594.9 Ų94.967%0.66849%0.489SS*.Hα-helixtrans-65.6-40.5-176-78.2-12.1000112.3I280 V281 D282D278-I280 VanDerWaalsContact C-N 3.32Å; D278-I280 PolarHBondContact O-N 2.7Å; D278-V281 PolarHBondContact O-N 2.77Å; D278-D282 PolarHBondContact O-N 3.09Å
279D55.8Low55.5Low119 Ų11990.6 Ų90.664%0.63647%0.466SS*.Hα-helixtrans-62.9-35.8178.3-71.4-13.7000112.3D283D279-D283 PolarHBondContact O-N 3.38Å; D279-D283 VanDerWaalsContact O-N 3.16Å
280I57.8Low58.1Low112 Ų11284.8 Ų84.857%0.57445%0.449SS*.Hα-helixtrans-72-37.3178.6-65.9170.7000111.3S276 G277 D278 S284S276-I280 WeakPolarHBondContact O-CD1 3.17Å; S276-I280 VanDerWaalsContact O-CG1 3.23Å; S276-I280 WeakPolarHBondContact O-CG1 3.37Å; G277-I280 PolarHBondContact O-N 3.45Å; D278-I280 VanDerWaalsContact C-N 3.32Å; D278-I280 PolarHBondContact O-N 2.7Å; I280-S284 PolarHBondContact O-N 3.48Å; I280-S284 PolarHBondContact O-OG 3.09Å
281V64.4Low60.6Low65 Ų6579.5 Ų79.539%0.39443%0.426SS..Hα-helixtrans-68.4-40.8176.7179.30000110.3G277 D278 S284 I285G277-V281 WeakPolarHBondContact O-CG2 3.29Å; G277-V281 PolarHBondContact O-N 3.19Å; D278-V281 PolarHBondContact O-N 2.77Å; V281-S284 WeakPolarHBondContact O-CB 3.09Å; V281-S284 PolarHBondContact O-N 2.9Å; V281-I285 HydrophobicContact CG1-CD1 3.96Å; V281-I285 HydrophobicContact CG1-CG1 4.45Å; V281-I285 WeakPolarHBondContact O-CG1 3.16Å; V281-I285 PolarHBondContact O-N 2.97Å
282D71.5Confident63.2Low66 Ų6675.1 Ų75.135%0.35340%0.403SS..Hα-helixtrans-63.3-45.1179.1-157.144000112D278 S284 I285 E286 N323D278-D282 PolarHBondContact O-N 3.09Å; D282-S284 VanDerWaalsContact C-N 3.33Å; D282-S284 PolarHBondContact O-N 3.13Å; D282-I285 PolarHBondContact O-N 2.85Å; D282-E286 PolarHBondContact O-N 3.01Å; D282-N323 PolarHBondContact OD1-ND2 3.38Å
283D75.2Confident65.8Low92 Ų9272.8 Ų72.849%0.49239%0.391SS..Hα-helixtrans-60.5-40.6174.3-178.246000112.1D279 I285 E286 Q287D279-D283 PolarHBondContact O-N 3.38Å; D279-D283 VanDerWaalsContact O-N 3.16Å; D283-I285 VanDerWaalsContact C-N 3.34Å; D283-I285 PolarHBondContact O-N 3.32Å; D283-E286 PolarHBondContact O-N 3.28Å; D283-Q287 VanDerWaalsContact CG-NE2 3.3Å; D283-Q287 WeakPolarHBondContact O-CB 3.38Å; D283-Q287 VanDerWaalsContact O-CG 3.26Å; D283-Q287 WeakPolarHBondContact O-CG 3.49Å; D283-Q287 PolarHBondContact O-N 3.26Å; D283-Q287 PolarHBondContact OD1-NE2 3.12Å; D283-Q287 PolarHBondContact OD2-NE2 3.11Å
284S75.5Confident68.4Low37 Ų3768.4 Ų68.426%0.25937%0.37SS..Hα-helixtrans-65-36.9176.8-59.80000112.5I280 V281 D282 L288I280-S284 PolarHBondContact O-N 3.48Å; I280-S284 PolarHBondContact O-OG 3.09Å; V281-S284 WeakPolarHBondContact O-CB 3.09Å; V281-S284 PolarHBondContact O-N 2.9Å; D282-S284 VanDerWaalsContact C-N 3.33Å; D282-S284 PolarHBondContact O-N 3.13Å; S284-L288 WeakPolarHBondContact O-CG 3.19Å; S284-L288 PolarHBondContact O-N 2.95Å; S284-L288 VanDerWaalsContact O-N 3.12Å
285I82.7Confident70.8Confident21 Ų2162.9 Ų62.911%0.10834%0.344CS..Hα-helixtrans-66.8-46.2175.2-71.7171000109.9L159 V281 D282 D283 Q287 L288 R289 L325L159-I285 HydrophobicContact CD1-CG1 3.96Å; V281-I285 HydrophobicContact CG1-CD1 3.96Å; V281-I285 HydrophobicContact CG1-CG1 4.45Å; V281-I285 WeakPolarHBondContact O-CG1 3.16Å; V281-I285 PolarHBondContact O-N 2.97Å; D282-I285 PolarHBondContact O-N 2.85Å; D283-I285 VanDerWaalsContact C-N 3.34Å; D283-I285 PolarHBondContact O-N 3.32Å; I285-Q287 PolarHBondContact O-N 3.01Å; I285-L288 PolarHBondContact O-N 3.22Å; I285-R289 WeakPolarHBondContact O-CB 3.21Å; I285-R289 PolarHBondContact O-N 3.02Å; I285-L325 HydrophobicContact CB-CD1 4.49Å; I285-L325 HydrophobicContact CG2-CD1 3.84Å; I285-L325 HydrophobicContact CG2-CG 4.01Å; I285-L325 WeakPolarHBondContact O-CD1 3.49Å
286E83.3Confident73.3Confident95 Ų9555.7 Ų55.744%0.44431%0.313SS..Hα-helixtrans-64.5-39.9179.6-168.157.8-13900111.8D282 D283 L288 R289 A290D282-E286 PolarHBondContact O-N 3.01Å; D283-E286 PolarHBondContact O-N 3.28Å; E286-L288 PolarHBondContact O-N 3.35Å; E286-R289 WeakPolarHBondContact O-CB 3.45Å; E286-R289 PolarHBondContact O-N 3.19Å; E286-R289 IonicContact OE2-CZ 2.66Å; E286-R289 IonicContact OE2-NH1 3.72Å; E286-R289 PolarHBondContact OE2-NH1 3.28Å; E286-A290 WeakPolarHBondContact O-CB 3.43Å; E286-A290 PolarHBondContact O-N 3.18Å
287Q79.4Confident75.2Confident116 Ų11655.6 Ų55.654%0.54231%0.313SS..Hα-helixtrans-61.4-42173.5-72.8174.926.100112.3D283 I285 F291D283-Q287 VanDerWaalsContact CG-NE2 3.3Å; D283-Q287 WeakPolarHBondContact O-CB 3.38Å; D283-Q287 VanDerWaalsContact O-CG 3.26Å; D283-Q287 WeakPolarHBondContact O-CG 3.49Å; D283-Q287 PolarHBondContact O-N 3.26Å; D283-Q287 PolarHBondContact OD1-NE2 3.12Å; D283-Q287 PolarHBondContact OD2-NE2 3.11Å; I285-Q287 PolarHBondContact O-N 3.01Å; Q287-F291 WeakPolarHBondContact O-CB 3.4Å; Q287-F291 PolarHBondContact O-N 3.38Å
288L83.5Confident76.9Confident17 Ų1755.3 Ų55.39%0.08930%0.303CS..Hα-helixtrans-67.2-37.4174.7-78.2169.7000111.8F152 V156 L159 S284 I285 E286 F291 G292 L325F152-L288 VanDerWaalsContact CE2-O 3.26Å; F152-L288 WeakPolarHBondContact CE2-O 3.47Å; V156-L288 HydrophobicContact CG2-CD1 4.08Å; L159-L288 HydrophobicContact CD1-CD1 3.42Å; L159-L288 VanDerWaalsContact CD1-CD1 3.42Å; L159-L288 HydrophobicContact CG-CD1 4.38Å; S284-L288 WeakPolarHBondContact O-CG 3.19Å; S284-L288 PolarHBondContact O-N 2.95Å; S284-L288 VanDerWaalsContact O-N 3.12Å; I285-L288 PolarHBondContact O-N 3.22Å; E286-L288 PolarHBondContact O-N 3.35Å; L288-F291 WeakPolarHBondContact O-CB 3.3Å; L288-F291 PolarHBondContact O-N 3.09Å; L288-G292 PolarHBondContact O-N 3.39Å; L288-L325 HydrophobicContact CB-CD1 3.7Å
289R86.3Confident78.5Confident16 Ų1649.4 Ų49.46%0.0627%0.271CS..Hα-helixtrans-61.2-50.8174.5179.9179.1-70.9124.34.4110.9I285 E286 F291 G292 I293 L318 E321 P322 L325I285-R289 WeakPolarHBondContact O-CB 3.21Å; I285-R289 PolarHBondContact O-N 3.02Å; E286-R289 WeakPolarHBondContact O-CB 3.45Å; E286-R289 PolarHBondContact O-N 3.19Å; E286-R289 IonicContact OE2-CZ 2.66Å; E286-R289 IonicContact OE2-NH1 3.72Å; E286-R289 PolarHBondContact OE2-NH1 3.28Å; R289-F291 VanDerWaalsContact C-N 3.29Å; R289-F291 PolarHBondContact O-N 2.87Å; R289-G292 PolarHBondContact O-N 2.93Å; R289-G292 VanDerWaalsContact O-N 3.1Å; R289-I293 HydrophobicContact CG-CD1 4.01Å; R289-I293 WeakPolarHBondContact O-CG1 3.26Å; R289-I293 PolarHBondContact O-N 2.95Å; R289-L318 PolarHBondContact NE-O 3.28Å; R289-L318 VanDerWaalsContact NE-O 3.17Å; R289-E321 PolarHBondContact NH2-O 2.77Å; R289-P322 VanDerWaalsContact CZ-O 3.25Å; R289-P322 PolarHBondContact NH1-O 3.19Å; R289-P322 PolarHBondContact NH2-O 3.25Å; R289-L325 HydrophobicContact CB-CD2 4.27Å
290A81.4Confident79.8Confident47 Ų4748 Ų4839%0.38826%0.263SS..Hα-helixtrans-58.7-40.817600000111.9E286 I293 T294E286-A290 WeakPolarHBondContact O-CB 3.43Å; E286-A290 PolarHBondContact O-N 3.18Å; A290-I293 PolarHBondContact O-N 2.7Å; A290-T294 WeakPolarHBondContact O-CB 3.38Å; A290-T294 PolarHBondContact O-N 2.85Å; A290-T294 PolarHBondContact O-OG1 3.37Å
291F82.7Confident80.9Confident26 Ų2649.6 Ų49.611%0.11427%0.268CS..Hα-helixtrans-61.6-47172.6176.8-122.5000111.9N148 F152 R181 Q287 L288 R289 I293 T294 I295N148-F291 HydrophobicContact CB-CZ 4.26Å; F152-F291 HydrophobicContact CB-CD1 4.21Å; F152-F291 HydrophobicContact CB-CE1 3.93Å; F152-F291 HydrophobicContact CD2-CD1 4.15Å; R181-F291 HydrophobicContact CB-CE2 4.23Å; R181-F291 HydrophobicContact CG-CE2 3.72Å; R181-F291 HydrophobicContact CG-CZ 3.7Å; Q287-F291 WeakPolarHBondContact O-CB 3.4Å; Q287-F291 PolarHBondContact O-N 3.38Å; L288-F291 WeakPolarHBondContact O-CB 3.3Å; L288-F291 PolarHBondContact O-N 3.09Å; R289-F291 VanDerWaalsContact C-N 3.29Å; R289-F291 PolarHBondContact O-N 2.87Å; F291-I293 PolarHBondContact O-N 3.42Å; F291-T294 WeakPolarHBondContact O-CB 3.5Å; F291-T294 PolarHBondContact O-N 3.27Å; F291-T294 VanDerWaalsContact O-N 3.16Å; F291-I295 HydrophobicContact CD1-CD1 4.14Å; F291-I295 HydrophobicContact CE1-CD1 3.7Å; F291-I295 HydrophobicContact CE2-CD1 4.25Å; F291-I295 HydrophobicContact CE2-CG1 4.21Å; F291-I295 HydrophobicContact CZ-CD1 3.75Å; F291-I295 HydrophobicContact CZ-CG1 4.18Å; F291-I295 WeakPolarHBondContact O-CG1 3.07Å; F291-I295 PolarHBondContact O-N 3.31Å
292G86Confident81.6Confident0 Ų051.5 Ų51.50%027%0.271CS..Hα-helixtrans-58.9-43175.600000113L288 R289 T294 I295 C296L288-G292 PolarHBondContact O-N 3.39Å; R289-G292 PolarHBondContact O-N 2.93Å; R289-G292 VanDerWaalsContact O-N 3.1Å; G292-T294 VanDerWaalsContact C-N 3.31Å; G292-T294 PolarHBondContact O-N 3.16Å; G292-I295 WeakPolarHBondContact O-CB 3.46Å; G292-I295 PolarHBondContact O-N 3.43Å; G292-I295 VanDerWaalsContact O-N 3.16Å; G292-C296 PolarHBondContact O-N 3.36Å
293I86.7Confident82.1Confident63 Ų6349.3 Ų49.332%0.32326%0.259SS..Hα-helixtrans-62.7-40.9175.7-66.9166.6000110.6R289 A290 F291 I295 C296 S297 L315 T319R289-I293 HydrophobicContact CG-CD1 4.01Å; R289-I293 WeakPolarHBondContact O-CG1 3.26Å; R289-I293 PolarHBondContact O-N 2.95Å; A290-I293 PolarHBondContact O-N 2.7Å; F291-I293 PolarHBondContact O-N 3.42Å; I293-I295 VanDerWaalsContact C-N 3.3Å; I293-I295 PolarHBondContact O-N 3.22Å; I293-C296 WeakPolarHBondContact O-CB 3.43Å; I293-C296 PolarHBondContact O-N 3.12Å; I293-C296 VanDerWaalsContact O-N 3.15Å; I293-S297 PolarHBondContact O-N 3.11Å; I293-L315 HydrophobicContact CB-CD1 4.49Å; I293-L315 HydrophobicContact CG1-CD1 4.1Å; I293-L315 HydrophobicContact CG2-CD1 4.23Å; I293-T319 HydrophobicContact CD1-CG2 4.21Å; I293-T319 HydrophobicContact CG1-CG2 4.49Å
294T82.8Confident82.4Confident51 Ų5147.9 Ų47.931%0.31326%0.255SS..Hα-helixtrans-62.3-37.1175-56.90000111.6A290 F291 G292 S297 N298A290-T294 WeakPolarHBondContact O-CB 3.38Å; A290-T294 PolarHBondContact O-N 2.85Å; A290-T294 PolarHBondContact O-OG1 3.37Å; F291-T294 WeakPolarHBondContact O-CB 3.5Å; F291-T294 PolarHBondContact O-N 3.27Å; F291-T294 VanDerWaalsContact O-N 3.16Å; G292-T294 VanDerWaalsContact C-N 3.31Å; G292-T294 PolarHBondContact O-N 3.16Å; T294-S297 PolarHBondContact O-N 3.38Å; T294-N298 PolarHBondContact O-N 2.69Å; T294-N298 VanDerWaalsContact O-N 3.11Å; T294-N298 PolarHBondContact O-ND2 2.9Å
295I83.7Confident82.7Confident2 Ų253.4 Ų53.41%0.0128%0.281CS..Hα-helixtrans-62.3-48.2172.4-63.2169.4000110.1N148 F152 F291 G292 I293 S297 N298 L299 F330N148-I295 HydrophobicContact CB-CD1 4.05Å; N148-I295 HydrophobicContact CB-CG1 4.07Å; N148-I295 WeakPolarHBondContact O-CD1 2.92Å; F152-I295 HydrophobicContact CB-CD1 3.91Å; F291-I295 HydrophobicContact CD1-CD1 4.14Å; F291-I295 HydrophobicContact CE1-CD1 3.7Å; F291-I295 HydrophobicContact CE2-CD1 4.25Å; F291-I295 HydrophobicContact CE2-CG1 4.21Å; F291-I295 HydrophobicContact CZ-CD1 3.75Å; F291-I295 HydrophobicContact CZ-CG1 4.18Å; F291-I295 WeakPolarHBondContact O-CG1 3.07Å; F291-I295 PolarHBondContact O-N 3.31Å; G292-I295 WeakPolarHBondContact O-CB 3.46Å; G292-I295 PolarHBondContact O-N 3.43Å; G292-I295 VanDerWaalsContact O-N 3.16Å; I293-I295 VanDerWaalsContact C-N 3.3Å; I293-I295 PolarHBondContact O-N 3.22Å; I295-S297 VanDerWaalsContact C-N 3.34Å; I295-S297 PolarHBondContact O-N 3.49Å; I295-N298 PolarHBondContact O-N 3.5Å; I295-L299 HydrophobicContact CG2-CD1 3.75Å; I295-L299 HydrophobicContact CG2-CG 4.08Å; I295-L299 VanDerWaalsContact O-CG 3.27Å; I295-L299 WeakPolarHBondContact O-CG 3.32Å; I295-L299 PolarHBondContact O-N 2.81Å; I295-F330 HydrophobicContact CB-CE1 4.08Å; I295-F330 HydrophobicContact CB-CZ 3.96Å; I295-F330 HydrophobicContact CD1-CE2 4.4Å; I295-F330 HydrophobicContact CD1-CZ 4.24Å; I295-F330 HydrophobicContact CG2-CD1 4.25Å; I295-F330 HydrophobicContact CG2-CE1 3.59Å; I295-F330 HydrophobicContact CG2-CZ 3.97Å
296C86.7Confident82.8Confident2 Ų256.6 Ų56.61%0.01431%0.305CS..Hα-helixtrans-57.9-43.6178.2-72.20000112.7G292 I293 N298 L299 L300 I311 L315G292-C296 PolarHBondContact O-N 3.36Å; I293-C296 WeakPolarHBondContact O-CB 3.43Å; I293-C296 PolarHBondContact O-N 3.12Å; I293-C296 VanDerWaalsContact O-N 3.15Å; C296-N298 PolarHBondContact O-N 3.48Å; C296-L299 PolarHBondContact O-N 2.89Å; C296-L300 PolarHBondContact O-N 3.4Å; C296-L300 VanDerWaalsContact O-N 3.14Å; C296-I311 HydrophobicContact CB-CG2 4.01Å; C296-L315 HydrophobicContact CB-CD1 4.09Å
297S82.2Confident83Confident61 Ų6152.2 Ų52.243%0.42729%0.285SS..Hα-helixtrans-59.1-47175.5-178.90000111.8I293 T294 I295 L299 L300 H301I293-S297 PolarHBondContact O-N 3.11Å; T294-S297 PolarHBondContact O-N 3.38Å; I295-S297 VanDerWaalsContact C-N 3.34Å; I295-S297 PolarHBondContact O-N 3.49Å; S297-L299 PolarHBondContact O-N 3.44Å; S297-L300 PolarHBondContact O-N 3.41Å; S297-H301 PolarHBondContact O-CD2 2.99Å
298N76.5Confident83.4Confident29 Ų2950.6 Ų50.616%0.15528%0.277CS..Hα-helixtrans-66.7-36.2176.8-73.8-59.1000113L145 T294 I295 C296 L300 H301 F302L145-N298 HydrophobicContact CD2-CB 3.84Å; T294-N298 PolarHBondContact O-N 2.69Å; T294-N298 VanDerWaalsContact O-N 3.11Å; T294-N298 PolarHBondContact O-ND2 2.9Å; I295-N298 PolarHBondContact O-N 3.5Å; C296-N298 PolarHBondContact O-N 3.48Å; N298-L300 VanDerWaalsContact C-N 3.29Å; N298-L300 PolarHBondContact O-N 3.25Å; N298-H301 PolarHBondContact O-N 2.88Å; N298-H301 VanDerWaalsContact O-N 3.15Å; N298-F302 VanDerWaalsContact O-CD2 3.26Å; N298-F302 WeakPolarHBondContact O-CD2 3.38Å; N298-F302 PolarHBondContact O-N 2.96Å
299L85.6Confident83.7Confident0 Ų053.4 Ų53.40%030%0.297CS..Hα-helixtrans-60.5-39.8176.5-74.4166.5000111.4L145 I295 C296 S297 H301 F302 M303 I311 F330 I333 I337L145-L299 HydrophobicContact CB-CD2 4.08Å; L145-L299 HydrophobicContact CD1-CD2 4.13Å; L145-L299 HydrophobicContact CD2-CD2 3.96Å; L145-L299 HydrophobicContact CD2-CG 4.08Å; L145-L299 HydrophobicContact CG-CD2 4.28Å; I295-L299 HydrophobicContact CG2-CD1 3.75Å; I295-L299 HydrophobicContact CG2-CG 4.08Å; I295-L299 VanDerWaalsContact O-CG 3.27Å; I295-L299 WeakPolarHBondContact O-CG 3.32Å; I295-L299 PolarHBondContact O-N 2.81Å; C296-L299 PolarHBondContact O-N 2.89Å; S297-L299 PolarHBondContact O-N 3.44Å; L299-H301 PolarHBondContact O-N 2.96Å; L299-F302 PolarHBondContact O-N 3.42Å; L299-M303 HydrophobicContact CB-CG 4.23Å; L299-M303 HydrophobicContact CD2-CG 3.7Å; L299-M303 HydrophobicContact CD2-SD 4.32Å; L299-M303 WeakPolarHBondContact O-CB 3.36Å; L299-M303 VanDerWaalsContact O-CG 3.3Å; L299-M303 WeakPolarHBondContact O-CG 3.5Å; L299-M303 PolarHBondContact O-N 3.25Å; L299-I311 HydrophobicContact CB-CD1 3.71Å; L299-I311 HydrophobicContact CB-CG1 4.01Å; L299-I311 HydrophobicContact CB-CG2 4.39Å; L299-I311 HydrophobicContact CD1-CG1 4.47Å; L299-F330 HydrophobicContact CD1-CD1 4.31Å; L299-F330 HydrophobicContact CD1-CE1 4.05Å; L299-I333 HydrophobicContact CD1-CD1 3.97Å; L299-I333 HydrophobicContact CD1-CG2 3.78Å; L299-I333 HydrophobicContact CD2-CG2 3.86Å; L299-I337 HydrophobicContact CD2-CD1 3.99Å
300L82.8Confident83.8Confident90 Ų9054.6 Ų54.647%0.47130%0.304SS..Hα-helixtrans-61.5-29.8177.1-71.5166.4000112.7C296 S297 N298 E308 I311C296-L300 PolarHBondContact O-N 3.4Å; C296-L300 VanDerWaalsContact O-N 3.14Å; S297-L300 PolarHBondContact O-N 3.41Å; N298-L300 VanDerWaalsContact C-N 3.29Å; N298-L300 PolarHBondContact O-N 3.25Å; L300-E308 HydrophobicContact CD2-CG 4Å; L300-I311 HydrophobicContact CD2-CB 4.32Å; L300-I311 HydrophobicContact CD2-CD1 4.05Å; L300-I311 HydrophobicContact CD2-CG2 4.09Å; L300-I311 HydrophobicContact CG-CD1 4.38Å; L300-I311 HydrophobicContact CG-CG2 3.97Å
301H80.4Confident84.2Confident145 Ų14552.6 Ų52.667%0.67129%0.287SS*.Hα-helixtrans-80-31.9179.4-77.3-60.9000114.4S297 N298 L299S297-H301 PolarHBondContact O-CD2 2.99Å; N298-H301 PolarHBondContact O-N 2.88Å; N298-H301 VanDerWaalsContact O-N 3.15Å; L299-H301 PolarHBondContact O-N 2.96Å
302F78Confident84.6Confident106 Ų10655.8 Ų55.847%0.46530%0.302SS..Hα-helixtrans-114.2-17.3-169.6-66.2-69.4000114.7L145 N298 L299L145-F302 HydrophobicContact CD1-CB 3.7Å; L145-F302 HydrophobicContact CD1-CD2 4.21Å; L145-F302 HydrophobicContact CD1-CG 4.31Å; N298-F302 VanDerWaalsContact O-CD2 3.26Å; N298-F302 WeakPolarHBondContact O-CD2 3.38Å; N298-F302 PolarHBondContact O-N 2.96Å; L299-F302 PolarHBondContact O-N 3.42Å
303M82.2Confident84.7Confident19 Ų1961.9 Ų61.99%0.09433%0.325CS..SBendtrans-86.5153.8178.8-65.8-66.3-71.700111.5L142 L299 A307 I311 H336 I337 I340L142-M303 HydrophobicContact CD2-SD 3.71Å; L299-M303 HydrophobicContact CB-CG 4.23Å; L299-M303 HydrophobicContact CD2-CG 3.7Å; L299-M303 HydrophobicContact CD2-SD 4.32Å; L299-M303 WeakPolarHBondContact O-CB 3.36Å; L299-M303 VanDerWaalsContact O-CG 3.3Å; L299-M303 WeakPolarHBondContact O-CG 3.5Å; L299-M303 PolarHBondContact O-N 3.25Å; M303-A307 HydrophobicContact CB-CB 4.03Å; M303-A307 HydrophobicContact CE-CB 4.23Å; M303-I311 HydrophobicContact CB-CD1 4.3Å; M303-H336 VanDerWaalsContact CE-CD2 3.41Å; M303-H336 WeakPolarHBondContact CE-CD2 3.3Å; M303-I337 HydrophobicContact CE-CG1 3.71Å; M303-I337 HydrophobicContact SD-CD1 4.48Å; M303-I337 HydrophobicContact SD-CG1 3.82Å; M303-I340 HydrophobicContact CE-CD1 3.92Å
304P81.8Confident84.9Confident63 Ų6359.4 Ų59.441%0.40931%0.313SS..  trans-58.8149.1172.1-19.931.4000111.6S306 A307 I340P304-S306 PolarHBondContact O-N 3.37Å; P304-A307 WeakPolarHBondContact O-CB 3.47Å; P304-A307 PolarHBondContact O-N 3.05Å; P304-I340 HydrophobicContact CG-CD1 4.31Å
305L81.4Confident85.3Confident152 Ų15259.8 Ų59.880%0.79631%0.313SS*.G310 helixtrans-53.4-26.9177.5-66.6170000113.4A307 E308L305-A307 PolarHBondContact O-N 3.45Å; L305-E308 WeakPolarHBondContact O-CB 3.26Å; L305-E308 PolarHBondContact O-N 3.3Å
306S84.6Confident85.4Confident88 Ų8866.6 Ų66.662%0.61534%0.342SS*.G310 helixtrans-62.6-2017558.10000114.3P304P304-S306 PolarHBondContact O-N 3.37Å
307A87.6Confident85.5Confident3 Ų369.6 Ų69.63%0.02536%0.36CS..G310 helixtrans-88.1-11.5179.300000113.1M303 P304 L305 L310 I311M303-A307 HydrophobicContact CB-CB 4.03Å; M303-A307 HydrophobicContact CE-CB 4.23Å; P304-A307 WeakPolarHBondContact O-CB 3.47Å; P304-A307 PolarHBondContact O-N 3.05Å; L305-A307 PolarHBondContact O-N 3.45Å; A307-L310 WeakPolarHBondContact O-CB 3.25Å; A307-L310 PolarHBondContact O-N 3.21Å; A307-I311 HydrophobicContact CB-CD1 4.3Å; A307-I311 WeakPolarHBondContact O-CG1 3.31Å; A307-I311 PolarHBondContact O-N 2.79Å
308E88Confident85.8Confident82 Ų8266.7 Ų66.738%0.38334%0.34SS..Hα-helixtrans-53.9-44.3-177.1-175.4-179.4175.300113.7L300 L305 L310 I311 Q312L300-E308 HydrophobicContact CD2-CG 4Å; L305-E308 WeakPolarHBondContact O-CB 3.26Å; L305-E308 PolarHBondContact O-N 3.3Å; E308-L310 VanDerWaalsContact C-N 3.26Å; E308-L310 PolarHBondContact O-N 3.5Å; E308-I311 PolarHBondContact O-N 3.33Å; E308-Q312 HydrophobicContact CG-CG 4.38Å; E308-Q312 WeakPolarHBondContact O-CG 3.28Å; E308-Q312 PolarHBondContact O-N 2.97Å; E308-Q312 PolarHBondContact OE1-NE2 3.5Å; E308-Q312 VanDerWaalsContact OE1-NE2 3.13Å
309P89.9Confident86.2Confident76 Ų7669.2 Ų69.249%0.49436%0.356SS..Hα-helixtrans-63-31.1177.4-22.534.5000113.6R313P309-R313 PolarHBondContact O-N 2.75Å
310L89.3Confident86Confident42 Ų4271.2 Ų71.222%0.2238%0.378CS..Hα-helixtrans-71.3-45.1176.2-61.6174.5000110.2A307 E308 Q312 R313 T314 E332A307-L310 WeakPolarHBondContact O-CB 3.25Å; A307-L310 PolarHBondContact O-N 3.21Å; E308-L310 VanDerWaalsContact C-N 3.26Å; E308-L310 PolarHBondContact O-N 3.5Å; L310-Q312 PolarHBondContact O-N 2.92Å; L310-R313 WeakPolarHBondContact O-CB 3.41Å; L310-R313 PolarHBondContact O-N 3.49Å; L310-T314 PolarHBondContact O-N 2.78Å; L310-T314 PolarHBondContact O-OG1 2.86Å; L310-E332 WeakPolarHBondContact CD2-OE2 3.4Å
311I89.6Confident85.6Confident5 Ų573.4 Ų73.43%0.02639%0.385CS..Hα-helixtrans-62.8-43.2178.5-60162000110.6C296 L299 L300 M303 A307 E308 R313 T314 L315 I333C296-I311 HydrophobicContact CB-CG2 4.01Å; L299-I311 HydrophobicContact CB-CD1 3.71Å; L299-I311 HydrophobicContact CB-CG1 4.01Å; L299-I311 HydrophobicContact CB-CG2 4.39Å; L299-I311 HydrophobicContact CD1-CG1 4.47Å; L300-I311 HydrophobicContact CD2-CB 4.32Å; L300-I311 HydrophobicContact CD2-CD1 4.05Å; L300-I311 HydrophobicContact CD2-CG2 4.09Å; L300-I311 HydrophobicContact CG-CD1 4.38Å; L300-I311 HydrophobicContact CG-CG2 3.97Å; M303-I311 HydrophobicContact CB-CD1 4.3Å; A307-I311 HydrophobicContact CB-CD1 4.3Å; A307-I311 WeakPolarHBondContact O-CG1 3.31Å; A307-I311 PolarHBondContact O-N 2.79Å; E308-I311 PolarHBondContact O-N 3.33Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 3.45Å; I311-T314 PolarHBondContact O-N 2.96Å; I311-L315 WeakPolarHBondContact O-CB 3.37Å; I311-L315 PolarHBondContact O-N 3.01Å; I311-I333 HydrophobicContact CG1-CD1 4.46Å
312Q90.3Very high85.1Confident92 Ų9271 Ų7143%0.4338%0.382SS..Hα-helixtrans-62.6-36.2176-71.4179.41.200112.4E308 L310 K316E308-Q312 HydrophobicContact CG-CG 4.38Å; E308-Q312 WeakPolarHBondContact O-CG 3.28Å; E308-Q312 PolarHBondContact O-N 2.97Å; E308-Q312 PolarHBondContact OE1-NE2 3.5Å; E308-Q312 VanDerWaalsContact OE1-NE2 3.13Å; L310-Q312 PolarHBondContact O-N 2.92Å; Q312-K316 WeakPolarHBondContact O-CG 3.42Å; Q312-K316 PolarHBondContact O-N 2.95Å
313R89.4Confident84.8Confident129 Ų12971 Ų7149%0.48739%0.387SS..Hα-helixtrans-67.4-43.2174.9-172.5-174.6-60.3132.36111.7P309 L310 I311 K316 T317 E332P309-R313 PolarHBondContact O-N 2.75Å; L310-R313 WeakPolarHBondContact O-CB 3.41Å; L310-R313 PolarHBondContact O-N 3.49Å; I311-R313 VanDerWaalsContact C-N 3.31Å; I311-R313 PolarHBondContact O-N 3.45Å; R313-K316 PolarHBondContact O-N 3Å; R313-T317 PolarHBondContact O-N 3.25Å; R313-T317 PolarHBondContact O-OG1 3.15Å; R313-E332 IonicContact NH1-OE2 3.12Å; R313-E332 PolarHBondContact NH1-OE2 3.45Å; R313-E332 VanDerWaalsContact NH1-OE2 3.12Å
314T91.3Very high84.6Confident10 Ų1072.8 Ų72.86%0.06140%0.401CS..Hα-helixtrans-64-42.7175.3-63.60000111L310 I311 K316 T317 L318 S329 F330 I333L310-T314 PolarHBondContact O-N 2.78Å; L310-T314 PolarHBondContact O-OG1 2.86Å; I311-T314 PolarHBondContact O-N 2.96Å; T314-K316 PolarHBondContact O-N 3.29Å; T314-T317 WeakPolarHBondContact O-CA 3.47Å; T314-T317 WeakPolarHBondContact O-CB 3.3Å; T314-T317 PolarHBondContact O-N 3.39Å; T314-L318 HydrophobicContact CG2-CD1 4Å; T314-L318 HydrophobicContact CG2-CG 4.33Å; T314-L318 WeakPolarHBondContact O-CG 3.36Å; T314-L318 PolarHBondContact O-N 3.37Å; T314-S329 VanDerWaalsContact CG2-O 3.27Å; T314-S329 WeakPolarHBondContact CG2-O 3.4Å; T314-S329 PolarHBondContact OG1-O 3.36Å; T314-F330 HydrophobicContact CG2-CD1 3.82Å; T314-F330 HydrophobicContact CG2-CD2 4.49Å; T314-F330 HydrophobicContact CG2-CE1 3.64Å; T314-F330 HydrophobicContact CG2-CE2 4.34Å; T314-F330 HydrophobicContact CG2-CG 4.25Å; T314-F330 HydrophobicContact CG2-CZ 3.93Å; T314-I333 HydrophobicContact CG2-CD1 4Å; T314-I333 WeakPolarHBondContact OG1-CD1 3.34Å
315L89.5Confident84.7Confident60 Ų6070.8 Ų70.831%0.31439%0.387SS..Hα-helixtrans-58.2-46.7175.2-172.464.9000111.6I293 C296 I311 T317 L318 T319I293-L315 HydrophobicContact CB-CD1 4.49Å; I293-L315 HydrophobicContact CG1-CD1 4.1Å; I293-L315 HydrophobicContact CG2-CD1 4.23Å; C296-L315 HydrophobicContact CB-CD1 4.09Å; I311-L315 WeakPolarHBondContact O-CB 3.37Å; I311-L315 PolarHBondContact O-N 3.01Å; L315-T317 PolarHBondContact O-N 3.15Å; L315-L318 PolarHBondContact O-N 3.47Å; L315-L318 VanDerWaalsContact O-N 3.13Å; L315-T319 HydrophobicContact CD1-CG2 4.29Å; L315-T319 HydrophobicContact CG-CG2 4.48Å; L315-T319 WeakPolarHBondContact O-CG2 3.33Å; L315-T319 PolarHBondContact O-N 2.89Å; L315-T319 PolarHBondContact O-OG1 3.43Å; L315-T319 VanDerWaalsContact O-OG1 3.09Å
316K87.4Confident84.9Confident145 Ų14567.2 Ų67.263%0.6337%0.369SS*.Hα-helixtrans-59.5-33.8174.2-73.7176.7-176.3-177.50113.3Q312 R313 T314 G320Q312-K316 WeakPolarHBondContact O-CG 3.42Å; Q312-K316 PolarHBondContact O-N 2.95Å; R313-K316 PolarHBondContact O-N 3Å; T314-K316 PolarHBondContact O-N 3.29Å; K316-G320 PolarHBondContact O-N 2.84Å
317T88.3Confident84.9Confident64 Ų6464.1 Ų64.139%0.39335%0.347SS..Hα-helixtrans-71.5-38.4177.2-530000111R313 T314 L315 G320R313-T317 PolarHBondContact O-N 3.25Å; R313-T317 PolarHBondContact O-OG1 3.15Å; T314-T317 WeakPolarHBondContact O-CA 3.47Å; T314-T317 WeakPolarHBondContact O-CB 3.3Å; T314-T317 PolarHBondContact O-N 3.39Å; L315-T317 PolarHBondContact O-N 3.15Å; T317-G320 PolarHBondContact O-N 2.92Å
318L87.5Confident84.9Confident1 Ų168.4 Ų68.41%0.00537%0.369CS..Hα-helixtrans-73.1-36.7179.2-67.7169.3000112.9F152 R289 T314 L315 G320 L325 F330F152-L318 HydrophobicContact CE1-CD2 4.15Å; F152-L318 HydrophobicContact CE2-CD2 3.88Å; F152-L318 HydrophobicContact CZ-CD2 3.38Å; R289-L318 PolarHBondContact NE-O 3.28Å; R289-L318 VanDerWaalsContact NE-O 3.17Å; T314-L318 HydrophobicContact CG2-CD1 4Å; T314-L318 HydrophobicContact CG2-CG 4.33Å; T314-L318 WeakPolarHBondContact O-CG 3.36Å; T314-L318 PolarHBondContact O-N 3.37Å; L315-L318 PolarHBondContact O-N 3.47Å; L315-L318 VanDerWaalsContact O-N 3.13Å; L318-G320 PolarHBondContact O-N 3.48Å; L318-L325 HydrophobicContact CD2-CD2 4.19Å; L318-F330 HydrophobicContact CD1-CE2 4.1Å; L318-F330 HydrophobicContact CD1-CZ 3.71Å; L318-F330 HydrophobicContact CD2-CE2 4.28Å
319T85.1Confident84.9Confident81 Ų8165 Ų6550%0.49736%0.355SS..THydrogen-bonded Turntrans-88.218.3176.465.90000112.6I293 L315I293-T319 HydrophobicContact CD1-CG2 4.21Å; I293-T319 HydrophobicContact CG1-CG2 4.49Å; L315-T319 HydrophobicContact CD1-CG2 4.29Å; L315-T319 HydrophobicContact CG-CG2 4.48Å; L315-T319 WeakPolarHBondContact O-CG2 3.33Å; L315-T319 PolarHBondContact O-N 2.89Å; L315-T319 PolarHBondContact O-OG1 3.43Å; L315-T319 VanDerWaalsContact O-OG1 3.09Å
320G81Confident85Confident43 Ų4361.4 Ų61.444%0.44333%0.331SS..SBendtrans-79.1-127.6-179.300000112.4K316 T317 L318K316-G320 PolarHBondContact O-N 2.84Å; T317-G320 PolarHBondContact O-N 2.92Å; L318-G320 PolarHBondContact O-N 3.48Å
321E76Confident85Confident136 Ų13662.3 Ų62.364%0.63634%0.339SS*.SBendtrans-61.3133.7-178.4-67.5179.4169.300112.3R289 N323 S324R289-E321 PolarHBondContact NH2-O 2.77Å; E321-N323 PolarHBondContact O-N 2.87Å; E321-N323 VanDerWaalsContact O-N 3.11Å; E321-S324 WeakPolarHBondContact CB-OG 3.17Å; E321-S324 PolarHBondContact O-N 3.48Å; E321-S324 PolarHBondContact OE2-OG 2.95Å
322P69Low85Confident93 Ų9367.5 Ų67.560%0.60436%0.363SS*.THydrogen-bonded Turntrans-64.7-18.6-170.320.7-30.7000114.9R289R289-P322 VanDerWaalsContact CZ-O 3.25Å; R289-P322 PolarHBondContact NH1-O 3.19Å; R289-P322 PolarHBondContact NH2-O 3.25Å
323N71.9Confident85.1Confident107 Ų10763.4 Ų63.457%0.57234%0.344SS*.THydrogen-bonded Turntrans-126.317.1-175.5-63.432.3000113.4D282 E321D282-N323 PolarHBondContact OD1-ND2 3.38Å; E321-N323 PolarHBondContact O-N 2.87Å; E321-N323 VanDerWaalsContact O-N 3.11Å
324S78Confident85.1Confident56 Ų5657.8 Ų57.839%0.39232%0.323SS..  trans-131.5130.3176.577.40000111.1E321E321-S324 WeakPolarHBondContact CB-OG 3.17Å; E321-S324 PolarHBondContact O-N 3.48Å; E321-S324 PolarHBondContact OE2-OG 2.95Å
325L84Confident85.1Confident22 Ų2259.8 Ų59.812%0.11534%0.34CS..  trans-121128.3173-75.8173.7000108.6F152 V156 I285 L288 R289 L318 P327F152-L325 HydrophobicContact CZ-CD2 4.28Å; V156-L325 HydrophobicContact CG1-CB 3.84Å; V156-L325 WeakPolarHBondContact CG1-O 3.48Å; V156-L325 HydrophobicContact CG2-CB 4Å; V156-L325 HydrophobicContact CG2-CD1 4.1Å; I285-L325 HydrophobicContact CB-CD1 4.49Å; I285-L325 HydrophobicContact CG2-CD1 3.84Å; I285-L325 HydrophobicContact CG2-CG 4.01Å; I285-L325 WeakPolarHBondContact O-CD1 3.49Å; L288-L325 HydrophobicContact CB-CD1 3.7Å; R289-L325 HydrophobicContact CB-CD2 4.27Å; L318-L325 HydrophobicContact CD2-CD2 4.19Å; L325-P327 WeakPolarHBondContact O-CD 3.39Å
326N84.5Confident85.1Confident77 Ų7759.4 Ų59.441%0.41234%0.337SS..  trans-82.9118.7174.3179.6-2.1000109.3N328 S329N326-N328 PolarHBondContact O-N 3.31Å; N326-N328 VanDerWaalsContact O-N 3.12Å; N326-N328 WeakPolarHBondContact OD1-CB 3.31Å; N326-N328 PolarHBondContact OD1-N 2.9Å; N326-S329 WeakPolarHBondContact CB-OG 3.47Å; N326-S329 WeakPolarHBondContact O-CB 3.42Å; N326-S329 PolarHBondContact O-N 3.35Å; N326-S329 VanDerWaalsContact O-N 3.1Å; N326-S329 PolarHBondContact O-OG 3.05Å
327P84.6Confident85.3Confident23 Ų2352.5 Ų52.515%0.14931%0.307CS..THydrogen-bonded Turntrans-61.1-23.2177.924.5-33.7000112.5R153 V156 I160 L325R153-P327 VanDerWaalsContact CB-O 3.27Å; R153-P327 WeakPolarHBondContact CB-O 3.32Å; R153-P327 HydrophobicContact CG-CB 4.19Å; R153-P327 VanDerWaalsContact CG-O 3.23Å; R153-P327 WeakPolarHBondContact CG-O 3.48Å; V156-P327 HydrophobicContact CB-CB 4.1Å; V156-P327 HydrophobicContact CG1-CB 3.87Å; V156-P327 HydrophobicContact CG1-CG 4.37Å; I160-P327 HydrophobicContact CD1-CG 3.94Å; L325-P327 WeakPolarHBondContact O-CD 3.39Å
328N88Confident85.5Confident92 Ų9251.1 Ų51.149%0.49230%0.298SS..THydrogen-bonded Turntrans-94.514-179.7-61.1-45000113.6N326 F330 T331N326-N328 PolarHBondContact O-N 3.31Å; N326-N328 VanDerWaalsContact O-N 3.12Å; N326-N328 WeakPolarHBondContact OD1-CB 3.31Å; N326-N328 PolarHBondContact OD1-N 2.9Å; N328-F330 PolarHBondContact O-N 3.34Å; N328-F330 VanDerWaalsContact O-N 3.08Å; N328-T331 WeakPolarHBondContact CA-OG1 3.19Å; N328-T331 WeakPolarHBondContact CB-OG1 3.46Å; N328-T331 PolarHBondContact O-N 3.48Å; N328-T331 VanDerWaalsContact O-N 3.1Å; N328-T331 PolarHBondContact O-OG1 3.03Å; N328-T331 VanDerWaalsContact O-OG1 3.07Å
329S87.8Confident85.7Confident11 Ų1156.5 Ų56.58%0.07733%0.327CS..THydrogen-bonded Turntrans-56.3-28.5-178.3-62.40000113.8T314 N326T314-S329 VanDerWaalsContact CG2-O 3.27Å; T314-S329 WeakPolarHBondContact CG2-O 3.4Å; T314-S329 PolarHBondContact OG1-O 3.36Å; N326-S329 WeakPolarHBondContact CB-OG 3.47Å; N326-S329 WeakPolarHBondContact O-CB 3.42Å; N326-S329 PolarHBondContact O-N 3.35Å; N326-S329 VanDerWaalsContact O-N 3.1Å; N326-S329 PolarHBondContact O-OG 3.05Å
330F91.8Very high86Confident1 Ų154.6 Ų54.60%0.00431%0.313CS..THydrogen-bonded Turntrans-102.31.6-178.7-69.7-83.3000114.3C149 F152 I295 L299 T314 L318 N328 E332 I333 E334C149-F330 HydrophobicContact CB-CB 3.84Å; C149-F330 HydrophobicContact CB-CG 4.19Å; F152-F330 HydrophobicContact CB-CD2 4.36Å; F152-F330 HydrophobicContact CB-CE2 4.28Å; F152-F330 AromaticContact CD1-CD2 3.42Å; F152-F330 HydrophobicContact CD1-CD2 3.42Å; F152-F330 VanDerWaalsContact CD1-CD2 3.42Å; F152-F330 AromaticContact CD1-CE2 3.52Å; F152-F330 HydrophobicContact CD1-CE2 3.52Å; F152-F330 HydrophobicContact CD2-CE2 4.05Å; F152-F330 AromaticContact CE1-CD2 3.83Å; F152-F330 HydrophobicContact CE1-CD2 3.83Å; F152-F330 AromaticContact CE1-CE2 3.77Å; F152-F330 HydrophobicContact CE1-CE2 3.77Å; F152-F330 HydrophobicContact CE2-CE2 4.26Å; F152-F330 AromaticContact CG-CD2 3.92Å; F152-F330 HydrophobicContact CG-CD2 3.92Å; F152-F330 AromaticContact CG-CE2 3.67Å; F152-F330 HydrophobicContact CG-CE2 3.67Å; F152-F330 HydrophobicContact CZ-CE2 4.14Å; I295-F330 HydrophobicContact CB-CE1 4.08Å; I295-F330 HydrophobicContact CB-CZ 3.96Å; I295-F330 HydrophobicContact CD1-CE2 4.4Å; I295-F330 HydrophobicContact CD1-CZ 4.24Å; I295-F330 HydrophobicContact CG2-CD1 4.25Å; I295-F330 HydrophobicContact CG2-CE1 3.59Å; I295-F330 HydrophobicContact CG2-CZ 3.97Å; L299-F330 HydrophobicContact CD1-CD1 4.31Å; L299-F330 HydrophobicContact CD1-CE1 4.05Å; T314-F330 HydrophobicContact CG2-CD1 3.82Å; T314-F330 HydrophobicContact CG2-CD2 4.49Å; T314-F330 HydrophobicContact CG2-CE1 3.64Å; T314-F330 HydrophobicContact CG2-CE2 4.34Å; T314-F330 HydrophobicContact CG2-CG 4.25Å; T314-F330 HydrophobicContact CG2-CZ 3.93Å; L318-F330 HydrophobicContact CD1-CE2 4.1Å; L318-F330 HydrophobicContact CD1-CZ 3.71Å; L318-F330 HydrophobicContact CD2-CE2 4.28Å; N328-F330 PolarHBondContact O-N 3.34Å; N328-F330 VanDerWaalsContact O-N 3.08Å; F330-E332 VanDerWaalsContact C-N 3.34Å; F330-E332 PolarHBondContact O-N 3.27Å; F330-I333 HydrophobicContact CD1-CD1 3.83Å; F330-I333 HydrophobicContact CE1-CD1 4.33Å; F330-I333 CarbonylContact O-C 3.59Å; F330-I333 WeakPolarHBondContact O-CA 3.49Å; F330-I333 WeakPolarHBondContact O-CB 3.27Å; F330-I333 PolarHBondContact O-N 2.69Å; F330-E334 HydrophobicContact CB-CG 4.4Å; F330-E334 WeakPolarHBondContact O-CG 3.44Å; F330-E334 PolarHBondContact O-N 2.91Å
331T90Very high86.5Confident61 Ų6152.5 Ų52.537%0.37429%0.292SS..Hα-helixtrans-58.6-40.3-171.1-56.10000113.7N328 A335N328-T331 WeakPolarHBondContact CA-OG1 3.19Å; N328-T331 WeakPolarHBondContact CB-OG1 3.46Å; N328-T331 PolarHBondContact O-N 3.48Å; N328-T331 VanDerWaalsContact O-N 3.1Å; N328-T331 PolarHBondContact O-OG1 3.03Å; N328-T331 VanDerWaalsContact O-OG1 3.07Å; T331-A335 WeakPolarHBondContact O-CB 3.41Å; T331-A335 PolarHBondContact O-N 2.94Å
332E89.9Confident87.4Confident114 Ų11448.3 Ų48.353%0.53328%0.278SS..Hα-helixtrans-65.7-39.3175.3-71.7-179.9-151.900112L310 R313 F330 A335 H336L310-E332 WeakPolarHBondContact CD2-OE2 3.4Å; R313-E332 IonicContact NH1-OE2 3.12Å; R313-E332 PolarHBondContact NH1-OE2 3.45Å; R313-E332 VanDerWaalsContact NH1-OE2 3.12Å; F330-E332 VanDerWaalsContact C-N 3.34Å; F330-E332 PolarHBondContact O-N 3.27Å; E332-A335 PolarHBondContact O-N 3.06Å; E332-H336 WeakPolarHBondContact O-CB 3.44Å; E332-H336 PolarHBondContact O-N 3.49Å
333I91.4Very high88.4Confident5 Ų545.1 Ų45.13%0.02626%0.258CS..Hα-helixtrans-68-45.6178.1-67.4167.2000110.1L299 I311 T314 F330 A335 H336 I337L299-I333 HydrophobicContact CD1-CD1 3.97Å; L299-I333 HydrophobicContact CD1-CG2 3.78Å; L299-I333 HydrophobicContact CD2-CG2 3.86Å; I311-I333 HydrophobicContact CG1-CD1 4.46Å; T314-I333 HydrophobicContact CG2-CD1 4Å; T314-I333 WeakPolarHBondContact OG1-CD1 3.34Å; F330-I333 HydrophobicContact CD1-CD1 3.83Å; F330-I333 HydrophobicContact CE1-CD1 4.33Å; F330-I333 CarbonylContact O-C 3.59Å; F330-I333 WeakPolarHBondContact O-CA 3.49Å; F330-I333 WeakPolarHBondContact O-CB 3.27Å; F330-I333 PolarHBondContact O-N 2.69Å; I333-A335 VanDerWaalsContact C-N 3.34Å; I333-A335 PolarHBondContact O-N 2.86Å; I333-H336 WeakPolarHBondContact O-CB 3.33Å; I333-H336 PolarHBondContact O-N 2.89Å; I333-H336 VanDerWaalsContact O-N 3.12Å; I333-I337 HydrophobicContact CG2-CD1 3.77Å; I333-I337 HydrophobicContact CG2-CG1 4.31Å; I333-I337 VanDerWaalsContact O-CG1 3.31Å; I333-I337 WeakPolarHBondContact O-CG1 3.25Å; I333-I337 PolarHBondContact O-N 3.39Å
334E90.5Very high89.3Confident12 Ų1244.2 Ų44.26%0.05626%0.258CS..Hα-helixtrans-56.1-48.5174.6-73.3177.7-142.400111.2Y146 C149 R153 F330 H336 I337 V338Y146-E334 HydrophobicContact CD2-CB 4.29Å; Y146-E334 HydrophobicContact CD2-CG 4.38Å; Y146-E334 HydrophobicContact CE2-CB 4.21Å; Y146-E334 HydrophobicContact CE2-CG 4.43Å; C149-E334 HydrophobicContact CB-CG 3.48Å; C149-E334 VanDerWaalsContact CB-CG 3.48Å; R153-E334 IonicContact CZ-OE1 3.82Å; R153-E334 IonicContact CZ-OE2 3.51Å; R153-E334 IonicContact NH1-OE1 3.09Å; R153-E334 PolarHBondContact NH1-OE1 2.98Å; R153-E334 VanDerWaalsContact NH1-OE1 3.09Å; R153-E334 IonicContact NH1-OE2 2.64Å; R153-E334 PolarHBondContact NH1-OE2 3.44Å; R153-E334 IonicContact NH2-OE2 3.63Å; F330-E334 HydrophobicContact CB-CG 4.4Å; F330-E334 WeakPolarHBondContact O-CG 3.44Å; F330-E334 PolarHBondContact O-N 2.91Å; E334-H336 VanDerWaalsContact C-N 3.28Å; E334-H336 PolarHBondContact O-N 3.35Å; E334-I337 PolarHBondContact O-N 3.38Å; E334-V338 WeakPolarHBondContact O-CB 3.32Å; E334-V338 VanDerWaalsContact O-CG2 3.26Å; E334-V338 WeakPolarHBondContact O-CG2 3.35Å; E334-V338 PolarHBondContact O-N 3.22Å
335A91.1Very high89.8Confident51 Ų5146.8 Ų46.842%0.42127%0.267SS..Hα-helixtrans-59.9-39.8176.600000111.7T331 E332 I333 V338 N339T331-A335 WeakPolarHBondContact O-CB 3.41Å; T331-A335 PolarHBondContact O-N 2.94Å; E332-A335 PolarHBondContact O-N 3.06Å; I333-A335 VanDerWaalsContact C-N 3.34Å; I333-A335 PolarHBondContact O-N 2.86Å; A335-V338 PolarHBondContact O-N 3.49Å; A335-N339 VanDerWaalsContact O-CG 3.25Å; A335-N339 PolarHBondContact O-N 2.89Å; A335-N339 PolarHBondContact O-ND2 3.29Å
336H90.4Very high90.2Very high52 Ų5245.7 Ų45.724%0.24126%0.261CS..Hα-helixtrans-65.9-44.2176.3-165.960.6000112.2M303 E332 I333 E334 N339 I340M303-H336 VanDerWaalsContact CE-CD2 3.41Å; M303-H336 WeakPolarHBondContact CE-CD2 3.3Å; E332-H336 WeakPolarHBondContact O-CB 3.44Å; E332-H336 PolarHBondContact O-N 3.49Å; I333-H336 WeakPolarHBondContact O-CB 3.33Å; I333-H336 PolarHBondContact O-N 2.89Å; I333-H336 VanDerWaalsContact O-N 3.12Å; E334-H336 VanDerWaalsContact C-N 3.28Å; E334-H336 PolarHBondContact O-N 3.35Å; H336-N339 WeakPolarHBondContact O-CB 3.12Å; H336-N339 PolarHBondContact O-N 3.09Å; H336-I340 WeakPolarHBondContact O-CG1 3.46Å; H336-I340 PolarHBondContact O-N 2.72Å
337I90.7Very high90.6Very high0 Ų042.7 Ų42.70%025%0.245CC..Hα-helixtrans-63.6-44.3175.7-63.1165.3000110.5L142 L145 L299 M303 I333 E334 N339 I340 L341L142-I337 HydrophobicContact CB-CG2 4.37Å; L142-I337 WeakPolarHBondContact O-CG2 3.41Å; L145-I337 HydrophobicContact CB-CD1 4.13Å; L299-I337 HydrophobicContact CD2-CD1 3.99Å; M303-I337 HydrophobicContact CE-CG1 3.71Å; M303-I337 HydrophobicContact SD-CD1 4.48Å; M303-I337 HydrophobicContact SD-CG1 3.82Å; I333-I337 HydrophobicContact CG2-CD1 3.77Å; I333-I337 HydrophobicContact CG2-CG1 4.31Å; I333-I337 VanDerWaalsContact O-CG1 3.31Å; I333-I337 WeakPolarHBondContact O-CG1 3.25Å; I333-I337 PolarHBondContact O-N 3.39Å; E334-I337 PolarHBondContact O-N 3.38Å; I337-N339 VanDerWaalsContact C-N 3.28Å; I337-N339 PolarHBondContact O-N 3.19Å; I337-I340 PolarHBondContact O-N 2.8Å; I337-I340 VanDerWaalsContact O-N 3.07Å; I337-L341 HydrophobicContact CG2-CD1 3.72Å; I337-L341 HydrophobicContact CG2-CG 4Å; I337-L341 WeakPolarHBondContact O-CB 3.44Å; I337-L341 WeakPolarHBondContact O-CG 3.29Å; I337-L341 PolarHBondContact O-N 3.4Å
338V91.9Very high90.9Very high36 Ų3642.4 Ų42.422%0.21825%0.246CC..Hα-helixtrans-58.8-40.3176.7165.50000111.3F117 Y146 E334 A335 I340 L341 S342F117-V338 HydrophobicContact CD1-CG1 4.16Å; F117-V338 HydrophobicContact CE1-CB 4.41Å; F117-V338 HydrophobicContact CE1-CG1 3.75Å; F117-V338 HydrophobicContact CE1-CG2 4.27Å; Y146-V338 HydrophobicContact CD2-CG2 3.71Å; Y146-V338 HydrophobicContact CE2-CG2 3.36Å; E334-V338 WeakPolarHBondContact O-CB 3.32Å; E334-V338 VanDerWaalsContact O-CG2 3.26Å; E334-V338 WeakPolarHBondContact O-CG2 3.35Å; E334-V338 PolarHBondContact O-N 3.22Å; A335-V338 PolarHBondContact O-N 3.49Å; V338-I340 VanDerWaalsContact C-N 3.33Å; V338-I340 PolarHBondContact O-N 3.12Å; V338-L341 PolarHBondContact O-N 3.14Å; V338-S342 WeakPolarHBondContact O-CB 3.33Å; V338-S342 PolarHBondContact O-N 3.5Å; V338-S342 PolarHBondContact O-OG 2.85Å
339N91.9Very high90.9Very high113 Ų11339.4 Ų39.460%0.60423%0.234SC*.Hα-helixtrans-61.9-40.4174.9-75.3-23.4000112.1A335 H336 I337 S343A335-N339 VanDerWaalsContact O-CG 3.25Å; A335-N339 PolarHBondContact O-N 2.89Å; A335-N339 PolarHBondContact O-ND2 3.29Å; H336-N339 WeakPolarHBondContact O-CB 3.12Å; H336-N339 PolarHBondContact O-N 3.09Å; I337-N339 VanDerWaalsContact C-N 3.28Å; I337-N339 PolarHBondContact O-N 3.19Å; N339-S343 PolarHBondContact O-N 3.1Å
340I91.3Very high91.1Very high41 Ų4138.9 Ų38.921%0.2123%0.23CC..Hα-helixtrans-69.1-44176.1-60.3166.8000110.8L142 M303 P304 H336 I337 V338 S342 S343 C346L142-I340 HydrophobicContact CD1-CG2 3.63Å; M303-I340 HydrophobicContact CE-CD1 3.92Å; P304-I340 HydrophobicContact CG-CD1 4.31Å; H336-I340 WeakPolarHBondContact O-CG1 3.46Å; H336-I340 PolarHBondContact O-N 2.72Å; I337-I340 PolarHBondContact O-N 2.8Å; I337-I340 VanDerWaalsContact O-N 3.07Å; V338-I340 VanDerWaalsContact C-N 3.33Å; V338-I340 PolarHBondContact O-N 3.12Å; I340-S342 VanDerWaalsContact C-N 3.34Å; I340-S342 PolarHBondContact O-N 3.44Å; I340-S343 WeakPolarHBondContact O-CB 3.47Å; I340-S343 PolarHBondContact O-N 3.19Å; I340-S343 PolarHBondContact O-OG 3.38Å; I340-C346 PolarHBondContact O-SG 2.9Å
341L92.9Very high90.9Very high0 Ų041 Ų410%024%0.239CC..Hα-helixtrans-66.5-35.4179.5-70.3176.6000112.3F117 F130 L134 L142 L143 I337 V338 S343 C346 F347F117-L341 HydrophobicContact CE2-CB 3.79Å; F117-L341 HydrophobicContact CZ-CB 3.59Å; F117-L341 HydrophobicContact CZ-CD1 4.23Å; F130-L341 HydrophobicContact CE1-CB 4.37Å; F130-L341 HydrophobicContact CE1-CD2 4.2Å; F130-L341 HydrophobicContact CZ-CD2 4.41Å; L134-L341 HydrophobicContact CD1-CD2 3.66Å; L134-L341 HydrophobicContact CD2-CD2 4.43Å; L142-L341 HydrophobicContact CB-CD2 3.85Å; L142-L341 HydrophobicContact CB-CG 4.45Å; L143-L341 HydrophobicContact CB-CD1 4.36Å; L143-L341 HydrophobicContact CB-CD2 4.33Å; L143-L341 HydrophobicContact CD1-CD1 4.05Å; I337-L341 HydrophobicContact CG2-CD1 3.72Å; I337-L341 HydrophobicContact CG2-CG 4Å; I337-L341 WeakPolarHBondContact O-CB 3.44Å; I337-L341 WeakPolarHBondContact O-CG 3.29Å; I337-L341 PolarHBondContact O-N 3.4Å; V338-L341 PolarHBondContact O-N 3.14Å; L341-S343 PolarHBondContact O-N 3.37Å; L341-C346 WeakPolarHBondContact O-CB 3.36Å; L341-F347 WeakPolarHBondContact O-CB 3.34Å; L341-F347 PolarHBondContact O-N 3.24Å
342S93.4Very high90.7Very high48 Ų4845.4 Ų45.434%0.33625%0.249SC..THydrogen-bonded Turntrans-75.7-5.7176.9-57.10000113.4F117 V338 I340F117-S342 VanDerWaalsContact CD1-OG 3.26Å; F117-S342 WeakPolarHBondContact CD1-OG 3.37Å; F117-S342 WeakPolarHBondContact CG-OG 3.4Å; V338-S342 WeakPolarHBondContact O-CB 3.33Å; V338-S342 PolarHBondContact O-N 3.5Å; V338-S342 PolarHBondContact O-OG 2.85Å; I340-S342 VanDerWaalsContact C-N 3.34Å; I340-S342 PolarHBondContact O-N 3.44Å
343S91.1Very high90.4Very high26 Ų2640.8 Ų40.818%0.18223%0.229CC..SBendtrans-65.1161-17772.20000113.2N339 I340 L341 D345 C346 F347 G348N339-S343 PolarHBondContact O-N 3.1Å; I340-S343 WeakPolarHBondContact O-CB 3.47Å; I340-S343 PolarHBondContact O-N 3.19Å; I340-S343 PolarHBondContact O-OG 3.38Å; L341-S343 PolarHBondContact O-N 3.37Å; S343-D345 PolarHBondContact O-N 3Å; S343-D345 VanDerWaalsContact O-N 3.15Å; S343-C346 PolarHBondContact O-N 2.7Å; S343-C346 VanDerWaalsContact O-N 3.15Å; S343-F347 PolarHBondContact O-N 3.23Å; S343-G348 PolarHBondContact O-N 3.29Å
344P89.8Confident89.9Confident88 Ų8843.9 Ų43.957%0.57125%0.251SS*.THydrogen-bonded Turntrans-57.5-25174.4-2635.7000114.7G348 A349P344-G348 CarbonylContact O-C 3.32Å; P344-G348 VanDerWaalsContact O-C 3.32Å; P344-G348 WeakPolarHBondContact O-CA 3.15Å; P344-A349 PolarHBondContact O-N 3.48Å
345D88.8Confident89.3Confident109 Ų10945.9 Ų45.958%0.58326%0.261SS*.THydrogen-bonded Turntrans-87.2-12.5-177.8-59.6-22.4000113.3I137 S343I137-D345 WeakPolarHBondContact CD1-O 3.35Å; S343-D345 PolarHBondContact O-N 3Å; S343-D345 VanDerWaalsContact O-N 3.15Å
346C92.5Very high89Confident0 Ų043.6 Ų43.60%024%0.241CC..THydrogen-bonded Turntrans-114-92.9179.1-68.10000108.3F130 F133 L134 K139 I340 L341 S343 G348 A349 F350F130-C346 HydrophobicContact CZ-CB 4.37Å; F133-C346 VanDerWaalsContact CE1-O 3.27Å; F133-C346 WeakPolarHBondContact CE1-O 3.3Å; L134-C346 HydrophobicContact CD2-CB 4.01Å; K139-C346 VanDerWaalsContact CD-SG 3.52Å; I340-C346 PolarHBondContact O-SG 2.9Å; L341-C346 WeakPolarHBondContact O-CB 3.36Å; S343-C346 PolarHBondContact O-N 2.7Å; S343-C346 VanDerWaalsContact O-N 3.15Å; C346-G348 VanDerWaalsContact C-N 3.33Å; C346-G348 PolarHBondContact O-N 3.49Å; C346-A349 PolarHBondContact O-N 3.44Å; C346-A349 VanDerWaalsContact O-N 3.14Å; C346-F350 PolarHBondContact O-N 3.11Å
347F93.9Very high88.5Confident14 Ų1442.5 Ų42.56%0.06124%0.237CC..Hα-helixtrans-61.7-37.4-179.2-177-127.2000113.6M115 F117 L120 F130 L341 S343 A349 F350 K351M115-F347 VanDerWaalsContact O-CZ 3.31Å; M115-F347 WeakPolarHBondContact O-CZ 3.39Å; F117-F347 HydrophobicContact CB-CD1 3.85Å; F117-F347 HydrophobicContact CB-CE1 3.68Å; F117-F347 HydrophobicContact CB-CG 4.44Å; F117-F347 HydrophobicContact CB-CZ 4.18Å; F117-F347 HydrophobicContact CD2-CB 3.91Å; F117-F347 AromaticContact CD2-CD1 3.95Å; F117-F347 HydrophobicContact CD2-CD1 3.95Å; F117-F347 HydrophobicContact CD2-CD2 4.01Å; F117-F347 HydrophobicContact CD2-CE1 4.41Å; F117-F347 AromaticContact CD2-CG 3.7Å; F117-F347 HydrophobicContact CD2-CG 3.7Å; F117-F347 HydrophobicContact CE2-CB 4.39Å; F117-F347 HydrophobicContact CG-CD1 4.39Å; L120-F347 HydrophobicContact CB-CE2 4.26Å; L120-F347 HydrophobicContact CD1-CD2 3.89Å; L120-F347 HydrophobicContact CD1-CE2 3.46Å; L120-F347 VanDerWaalsContact CD1-CE2 3.46Å; L120-F347 HydrophobicContact CG-CE2 4.45Å; F130-F347 HydrophobicContact CE2-CB 4.34Å; F130-F347 HydrophobicContact CE2-CD2 4.48Å; F130-F347 HydrophobicContact CZ-CB 4.2Å; L341-F347 WeakPolarHBondContact O-CB 3.34Å; L341-F347 PolarHBondContact O-N 3.24Å; S343-F347 PolarHBondContact O-N 3.23Å; F347-A349 VanDerWaalsContact C-N 3.33Å; F347-A349 PolarHBondContact O-N 3.05Å; F347-F350 HydrophobicContact CD2-CD1 4.07Å; F347-F350 HydrophobicContact CE2-CD1 4.23Å; F347-F350 WeakPolarHBondContact O-CB 3.34Å; F347-F350 PolarHBondContact O-N 2.77Å; F347-K351 HydrophobicContact CE1-CD 4.37Å; F347-K351 HydrophobicContact CE2-CG 4.4Å; F347-K351 HydrophobicContact CZ-CD 4.39Å; F347-K351 HydrophobicContact CZ-CG 4.45Å; F347-K351 PolarHBondContact O-N 3Å
348G90.1Very high87.9Confident17 Ų1746.3 Ų46.318%0.17526%0.255CS..Hα-helixtrans-66-35.7175.400000113.1S343 P344 C346 R352S343-G348 PolarHBondContact O-N 3.29Å; P344-G348 CarbonylContact O-C 3.32Å; P344-G348 VanDerWaalsContact O-C 3.32Å; P344-G348 WeakPolarHBondContact O-CA 3.15Å; C346-G348 VanDerWaalsContact C-N 3.33Å; C346-G348 PolarHBondContact O-N 3.49Å; G348-R352 WeakPolarHBondContact O-CG 3.27Å; G348-R352 PolarHBondContact O-NH1 2.89Å
349A88.9Confident87.3Confident28 Ų2844.7 Ų44.723%0.23125%0.245CC..Hα-helixtrans-73-37.2175.900000110.9F133 P344 C346 F347 K351 R352 S353F133-A349 HydrophobicContact CE1-CB 4.14Å; F133-A349 VanDerWaalsContact CZ-C 3.45Å; F133-A349 HydrophobicContact CZ-CB 3.59Å; P344-A349 PolarHBondContact O-N 3.48Å; C346-A349 PolarHBondContact O-N 3.44Å; C346-A349 VanDerWaalsContact O-N 3.14Å; F347-A349 VanDerWaalsContact C-N 3.33Å; F347-A349 PolarHBondContact O-N 3.05Å; A349-K351 PolarHBondContact O-N 2.89Å; A349-R352 PolarHBondContact O-N 3.25Å; A349-R352 VanDerWaalsContact O-N 3.12Å; A349-S353 PolarHBondContact O-N 3.33Å
350F90.7Very high86.6Confident0 Ų039.3 Ų39.30%022%0.216CC..Hα-helixtrans-57.1-48.6171.8178.3-123.3000111.4L120 C129 F130 F133 C346 F347 R352 S353 Q355 Y356 L359L120-F350 HydrophobicContact CD1-CD1 3.86Å; L120-F350 HydrophobicContact CD1-CE1 3.49Å; L120-F350 VanDerWaalsContact CD1-CE1 3.49Å; C129-F350 HydrophobicContact CB-CZ 4.34Å; F130-F350 HydrophobicContact CB-CE1 4.41Å; F130-F350 HydrophobicContact CB-CZ 4.48Å; F130-F350 HydrophobicContact CD2-CB 3.92Å; F130-F350 AromaticContact CD2-CD1 3.81Å; F130-F350 HydrophobicContact CD2-CD1 3.81Å; F130-F350 HydrophobicContact CD2-CD2 4.25Å; F130-F350 HydrophobicContact CD2-CE1 4.36Å; F130-F350 AromaticContact CD2-CG 3.73Å; F130-F350 HydrophobicContact CD2-CG 3.73Å; F130-F350 HydrophobicContact CE2-CB 3.94Å; F130-F350 HydrophobicContact CE2-CD1 4.45Å; F130-F350 HydrophobicContact CE2-CG 4.26Å; F133-F350 HydrophobicContact CB-CD2 3.44Å; F133-F350 VanDerWaalsContact CB-CD2 3.44Å; F133-F350 HydrophobicContact CB-CE2 3.91Å; F133-F350 HydrophobicContact CB-CG 4.38Å; F133-F350 HydrophobicContact CD1-CB 3.56Å; F133-F350 AromaticContact CD1-CD2 3.95Å; F133-F350 HydrophobicContact CD1-CD2 3.95Å; F133-F350 HydrophobicContact CD1-CG 4.14Å; F133-F350 HydrophobicContact CD2-CB 4.43Å; F133-F350 AromaticContact CD2-CD2 3.99Å; F133-F350 HydrophobicContact CD2-CD2 3.99Å; F133-F350 HydrophobicContact CE1-CB 3.74Å; F133-F350 HydrophobicContact CG-CB 3.94Å; F133-F350 AromaticContact CG-CD2 3.49Å; F133-F350 HydrophobicContact CG-CD2 3.49Å; F133-F350 VanDerWaalsContact CG-CD2 3.49Å; F133-F350 HydrophobicContact CG-CE2 4.42Å; F133-F350 HydrophobicContact CG-CG 4.14Å; F133-F350 HydrophobicContact CZ-CB 4.27Å; F133-F350 VanDerWaalsContact CZ-N 3.29Å; C346-F350 PolarHBondContact O-N 3.11Å; F347-F350 HydrophobicContact CD2-CD1 4.07Å; F347-F350 HydrophobicContact CE2-CD1 4.23Å; F347-F350 WeakPolarHBondContact O-CB 3.34Å; F347-F350 PolarHBondContact O-N 2.77Å; F350-R352 PolarHBondContact O-N 3.35Å; F350-S353 WeakPolarHBondContact O-CB 3.43Å; F350-S353 PolarHBondContact O-N 3.22Å; F350-S353 PolarHBondContact O-OG 2.84Å; F350-Q355 HydrophobicContact CD2-CB 4.44Å; F350-Q355 HydrophobicContact CE2-CB 3.9Å; F350-Y356 AromaticContact CD1-CD2 3.95Å; F350-Y356 HydrophobicContact CD1-CD2 3.95Å; F350-Y356 AromaticContact CE1-CD2 3.58Å; F350-Y356 HydrophobicContact CE1-CD2 3.58Å; F350-Y356 HydrophobicContact CE1-CE2 4.41Å; F350-Y356 HydrophobicContact CE1-CG 4.44Å; F350-Y356 HydrophobicContact CZ-CD2 4.12Å; F350-Y356 WeakPolarHBondContact O-CB 3.03Å; F350-L359 HydrophobicContact CE1-CD2 3.81Å; F350-L359 HydrophobicContact CZ-CB 4.36Å; F350-L359 HydrophobicContact CZ-CD2 3.72Å
351K88.7Confident85.5Confident47 Ų4738.3 Ų38.320%0.20421%0.213CC..Hα-helixtrans-56.9-23.5177-76.3-170.2177.6-175.90114.5D114 M115 F347 A349 Y356D114-K351 WeakPolarHBondContact OD1-CE 3.33Å; D114-K351 IonicContact OD1-NZ 2.63Å; D114-K351 PolarHBondContact OD1-NZ 2.93Å; D114-K351 IonicContact OD2-NZ 3.73Å; M115-K351 WeakPolarHBondContact O-CE 3.42Å; M115-K351 PolarHBondContact O-NZ 3.11Å; F347-K351 HydrophobicContact CE1-CD 4.37Å; F347-K351 HydrophobicContact CE2-CG 4.4Å; F347-K351 HydrophobicContact CZ-CD 4.39Å; F347-K351 HydrophobicContact CZ-CG 4.45Å; F347-K351 PolarHBondContact O-N 3Å; A349-K351 PolarHBondContact O-N 2.89Å; K351-Y356 HydrophobicContact CG-CD2 4.49Å; K351-Y356 HydrophobicContact CG-CE1 4.44Å; K351-Y356 HydrophobicContact CG-CE2 4.3Å
352R85Confident84.4Confident152 Ų15239.2 Ų39.257%0.57422%0.218SC*.THydrogen-bonded Turntrans-94.3-4.7177.7-58.9-177.1-169.9109.6-1.8113G348 A349 F350 P382G348-R352 WeakPolarHBondContact O-CG 3.27Å; G348-R352 PolarHBondContact O-NH1 2.89Å; A349-R352 PolarHBondContact O-N 3.25Å; A349-R352 VanDerWaalsContact O-N 3.12Å; F350-R352 PolarHBondContact O-N 3.35Å; R352-P382 HydrophobicContact CG-CB 4.37Å; R352-P382 HydrophobicContact CG-CG 4.05Å
353S83.3Confident83.3Confident17 Ų1738.5 Ų38.512%0.11921%0.21CC..SBendtrans-91.4158.3-175.290.90000111.7A349 F350 Q355 Y356A349-S353 PolarHBondContact O-N 3.33Å; F350-S353 WeakPolarHBondContact O-CB 3.43Å; F350-S353 PolarHBondContact O-N 3.22Å; F350-S353 PolarHBondContact O-OG 2.84Å; S353-Q355 PolarHBondContact O-N 3.34Å; S353-Q355 PolarHBondContact OG-N 3.44Å; S353-Q355 PolarHBondContact OG-OE1 2.92Å; S353-Y356 PolarHBondContact O-N 3.29Å
354S80.6Confident82.2Confident70 Ų7040.7 Ų40.749%0.4922%0.22SC..Hα-helixtrans-63.3-29.4174.556.40000112.1Y356 I357 H358S354-Y356 VanDerWaalsContact C-N 3.3Å; S354-Y356 PolarHBondContact O-N 2.84Å; S354-I357 PolarHBondContact O-N 2.73Å; S354-H358 PolarHBondContact O-CD2 3.04Å; S354-H358 PolarHBondContact O-N 3.47Å; S354-H358 VanDerWaalsContact O-N 3.09Å
355Q78.5Confident81.4Confident55 Ų5538.5 Ų38.526%0.25720%0.203SC..Hα-helixtrans-60.9-35.9176.8-62.693.5-17.800112.6C129 F350 S353 I357 H358 L359C129-Q355 PolarHBondContact SG-O 2.78Å; C129-Q355 VanDerWaalsContact SG-O 3.41Å; F350-Q355 HydrophobicContact CD2-CB 4.44Å; F350-Q355 HydrophobicContact CE2-CB 3.9Å; S353-Q355 PolarHBondContact O-N 3.34Å; S353-Q355 PolarHBondContact OG-N 3.44Å; S353-Q355 PolarHBondContact OG-OE1 2.92Å; Q355-I357 VanDerWaalsContact C-N 3.32Å; Q355-I357 PolarHBondContact O-N 3.09Å; Q355-H358 WeakPolarHBondContact O-CB 3.48Å; Q355-H358 PolarHBondContact O-N 3.39Å; Q355-L359 PolarHBondContact O-N 3.45Å
356Y84.5Confident80.3Confident3 Ų335.2 Ų35.21%0.01219%0.185CC..Hα-helixtrans-65.1-38176.5180-111.3000112.3I112 Y113 M115 F350 K351 S353 S354 H358 L359 L360I112-Y356 HydrophobicContact CD1-CD1 4.44Å; I112-Y356 HydrophobicContact CD1-CE1 4.25Å; Y113-Y356 PolarHBondContact O-OH 3.36Å; M115-Y356 HydrophobicContact CB-CE2 4.08Å; M115-Y356 WeakPolarHBondContact CB-OH 3.04Å; M115-Y356 HydrophobicContact CE-CE2 4.49Å; M115-Y356 PolarHBondContact N-OH 3.04Å; F350-Y356 AromaticContact CD1-CD2 3.95Å; F350-Y356 HydrophobicContact CD1-CD2 3.95Å; F350-Y356 AromaticContact CE1-CD2 3.58Å; F350-Y356 HydrophobicContact CE1-CD2 3.58Å; F350-Y356 HydrophobicContact CE1-CE2 4.41Å; F350-Y356 HydrophobicContact CE1-CG 4.44Å; F350-Y356 HydrophobicContact CZ-CD2 4.12Å; F350-Y356 WeakPolarHBondContact O-CB 3.03Å; K351-Y356 HydrophobicContact CG-CD2 4.49Å; K351-Y356 HydrophobicContact CG-CE1 4.44Å; K351-Y356 HydrophobicContact CG-CE2 4.3Å; S353-Y356 PolarHBondContact O-N 3.29Å; S354-Y356 VanDerWaalsContact C-N 3.3Å; S354-Y356 PolarHBondContact O-N 2.84Å; Y356-H358 VanDerWaalsContact C-N 3.33Å; Y356-L359 HydrophobicContact CD2-CD2 4.44Å; Y356-L359 WeakPolarHBondContact O-CB 3.39Å; Y356-L359 PolarHBondContact O-N 2.79Å; Y356-L360 HydrophobicContact CD1-CD1 4.14Å; Y356-L360 HydrophobicContact CD1-CG 4.45Å; Y356-L360 HydrophobicContact CE1-CD1 3.6Å; Y356-L360 HydrophobicContact CE1-CD2 4.46Å; Y356-L360 HydrophobicContact CE1-CG 4.08Å; Y356-L360 HydrophobicContact CE2-CD2 4.25Å; Y356-L360 HydrophobicContact CE2-CG 4.4Å; Y356-L360 WeakPolarHBondContact O-CG 3.33Å; Y356-L360 PolarHBondContact O-N 3.18Å
357I80.5Confident78.5Confident28 Ų2841.4 Ų41.414%0.14421%0.212CC..Hα-helixtrans-64.8-42.1174.9-53.4176.8000109.9Y104 L106 S354 Q355 L359 L360 A361 L366Y104-I357 HydrophobicContact CD2-CG2 3.19Å; Y104-I357 HydrophobicContact CE2-CG2 3.54Å; Y104-I357 HydrophobicContact CG-CG2 4.09Å; L106-I357 HydrophobicContact CD1-CD1 4.32Å; S354-I357 PolarHBondContact O-N 2.73Å; Q355-I357 VanDerWaalsContact C-N 3.32Å; Q355-I357 PolarHBondContact O-N 3.09Å; I357-L359 VanDerWaalsContact C-N 3.33Å; I357-L359 PolarHBondContact O-N 3.4Å; I357-L360 PolarHBondContact O-N 3.28Å; I357-A361 PolarHBondContact O-N 3.42Å; I357-L366 HydrophobicContact CG2-CD1 4.13Å; I357-L366 WeakPolarHBondContact O-CD1 3.37Å
358H76.9Confident76Confident81 Ų8148.6 Ų48.638%0.37525%0.246SC..Hα-helixtrans-61.2-39173.2-71.8-61.1000112.9S354 Q355 Y356 A361 E362S354-H358 PolarHBondContact O-CD2 3.04Å; S354-H358 PolarHBondContact O-N 3.47Å; S354-H358 VanDerWaalsContact O-N 3.09Å; Q355-H358 WeakPolarHBondContact O-CB 3.48Å; Q355-H358 PolarHBondContact O-N 3.39Å; Y356-H358 VanDerWaalsContact C-N 3.33Å; H358-A361 VanDerWaalsContact O-CB 3.24Å; H358-A361 WeakPolarHBondContact O-CB 3.5Å; H358-A361 PolarHBondContact O-N 2.77Å; H358-E362 WeakPolarHBondContact O-CB 3Å; H358-E362 PolarHBondContact O-N 3.03Å
359L79.5Confident73.2Confident2 Ų251.9 Ų51.91%0.0126%0.264CS..Hα-helixtrans-62-47.1174.517360.5000111.8M115 V125 A126 C129 F350 Q355 Y356 I357 A361 E362 L363M115-L359 HydrophobicContact CE-CD2 3.98Å; M115-L359 HydrophobicContact CE-CG 4.29Å; M115-L359 HydrophobicContact SD-CD2 4.27Å; V125-L359 HydrophobicContact CG1-CD1 3.88Å; A126-L359 VanDerWaalsContact CA-CD1 3.45Å; A126-L359 HydrophobicContact CB-CD1 3.83Å; A126-L359 HydrophobicContact CB-CD2 3.73Å; A126-L359 HydrophobicContact CB-CG 4.35Å; C129-L359 HydrophobicContact CB-CB 4.25Å; C129-L359 HydrophobicContact CB-CD1 4.16Å; F350-L359 HydrophobicContact CE1-CD2 3.81Å; F350-L359 HydrophobicContact CZ-CB 4.36Å; F350-L359 HydrophobicContact CZ-CD2 3.72Å; Q355-L359 PolarHBondContact O-N 3.45Å; Y356-L359 HydrophobicContact CD2-CD2 4.44Å; Y356-L359 WeakPolarHBondContact O-CB 3.39Å; Y356-L359 PolarHBondContact O-N 2.79Å; I357-L359 VanDerWaalsContact C-N 3.33Å; I357-L359 PolarHBondContact O-N 3.4Å; L359-A361 PolarHBondContact O-N 3.14Å; L359-E362 PolarHBondContact O-N 3.43Å; L359-E362 VanDerWaalsContact O-N 3.15Å; L359-L363 HydrophobicContact CD1-CD1 3.77Å; L359-L363 HydrophobicContact CD1-CG 3.97Å; L359-L363 HydrophobicContact CG-CD1 4.05Å; L359-L363 WeakPolarHBondContact O-CG 3.46Å; L359-L363 PolarHBondContact O-N 2.66Å
360L78.7Confident70.6Confident0 Ų057.7 Ų57.70%029%0.291CS..Hα-helixtrans-61.8-33.1178.7-66.1-177.8000111.8I112 Y113 M115 Y356 I357 D364 L365 L366I112-L360 HydrophobicContact CB-CD1 4.23Å; Y113-L360 HydrophobicContact CD1-CD2 3.92Å; M115-L360 HydrophobicContact CE-CD2 3.77Å; Y356-L360 HydrophobicContact CD1-CD1 4.14Å; Y356-L360 HydrophobicContact CD1-CG 4.45Å; Y356-L360 HydrophobicContact CE1-CD1 3.6Å; Y356-L360 HydrophobicContact CE1-CD2 4.46Å; Y356-L360 HydrophobicContact CE1-CG 4.08Å; Y356-L360 HydrophobicContact CE2-CD2 4.25Å; Y356-L360 HydrophobicContact CE2-CG 4.4Å; Y356-L360 WeakPolarHBondContact O-CG 3.33Å; Y356-L360 PolarHBondContact O-N 3.18Å; I357-L360 PolarHBondContact O-N 3.28Å; L360-D364 PolarHBondContact O-N 3Å; L360-L365 HydrophobicContact CB-CB 4.36Å; L360-L365 HydrophobicContact CD2-CB 4.05Å; L360-L365 HydrophobicContact CD2-CD1 4Å; L360-L365 PolarHBondContact O-N 3.17Å; L360-L366 HydrophobicContact CB-CD1 4.11Å; L360-L366 HydrophobicContact CB-CD2 3.67Å; L360-L366 HydrophobicContact CB-CG 3.61Å; L360-L366 HydrophobicContact CD1-CD2 3.89Å; L360-L366 HydrophobicContact CG-CD2 4.47Å; L360-L366 PolarHBondContact O-N 3.29Å
361A67.7Low67.9Low19 Ų1967.1 Ų67.116%0.15733%0.334CS..Hα-helixtrans-62.4-51.3171.800000112.1Y104 I357 H358 L359 L363 D364 L366Y104-A361 HydrophobicContact CE2-CB 4.27Å; Y104-A361 WeakPolarHBondContact OH-CB 3.49Å; I357-A361 PolarHBondContact O-N 3.42Å; H358-A361 VanDerWaalsContact O-CB 3.24Å; H358-A361 WeakPolarHBondContact O-CB 3.5Å; H358-A361 PolarHBondContact O-N 2.77Å; L359-A361 PolarHBondContact O-N 3.14Å; A361-L363 PolarHBondContact O-N 2.81Å; A361-D364 PolarHBondContact O-N 3.17Å; A361-L366 HydrophobicContact CB-CD1 3.79Å
362E68.7Low65.2Low19 Ų1973.8 Ų73.89%0.08937%0.366CS..Hα-helixtrans-62.6-28-176.6-164.470.7-133.700112V125 H358 L359 R703 G795 N796 E797 T798V125-E362 HydrophobicContact CG1-CB 4.15Å; V125-E362 HydrophobicContact CG1-CG 3.56Å; H358-E362 WeakPolarHBondContact O-CB 3Å; H358-E362 PolarHBondContact O-N 3.03Å; L359-E362 PolarHBondContact O-N 3.43Å; L359-E362 VanDerWaalsContact O-N 3.15Å; E362-R703 IonicContact OE2-NH2 2.79Å; E362-R703 PolarHBondContact OE2-NH2 2.94Å; E362-G795 WeakPolarHBondContact OE1-CA 3.4Å; E362-N796 WeakPolarHBondContact O-CB 3.28Å; E362-N796 PolarHBondContact O-N 3.06Å; E362-N796 VanDerWaalsContact O-N 3.08Å; E362-N796 PolarHBondContact OE1-N 2.85Å; E362-E797 PolarHBondContact OE1-N 3.2Å; E362-E797 VanDerWaalsContact OE1-N 3.08Å; E362-T798 WeakPolarHBondContact OE1-CB 3.43Å; E362-T798 PolarHBondContact OE1-N 2.88Å; E362-T798 PolarHBondContact OE1-OG1 2.86Å; E362-T798 PolarHBondContact OE2-OG1 2.83Å
363L72Confident62.5Low33 Ų3370.6 Ų70.617%0.17337%0.368CS..THydrogen-bonded Turntrans-91.52.3175-62.8177.4000114.1M115 K123 V125 L359 A361 L365M115-L363 HydrophobicContact CE-CD1 3.57Å; K123-L363 HydrophobicContact CD-CD1 3.88Å; K123-L363 HydrophobicContact CD-CD2 4.25Å; V125-L363 HydrophobicContact CB-CD2 4.35Å; V125-L363 HydrophobicContact CG1-CD2 4.37Å; L359-L363 HydrophobicContact CD1-CD1 3.77Å; L359-L363 HydrophobicContact CD1-CG 3.97Å; L359-L363 HydrophobicContact CG-CD1 4.05Å; L359-L363 WeakPolarHBondContact O-CG 3.46Å; L359-L363 PolarHBondContact O-N 2.66Å; A361-L363 PolarHBondContact O-N 2.81Å; L363-L365 HydrophobicContact CB-CD1 3.82Å; L363-L365 HydrophobicContact CB-CG 3.85Å; L363-L365 HydrophobicContact CD1-CD1 3.93Å; L363-L365 PolarHBondContact O-N 3.2Å
364D66.1Low60.1Low73 Ų7376.6 Ų76.639%0.3941%0.409SS..THydrogen-bonded Turntrans54.136.2-174.2-167.142.5000113.8L360 A361 K367L360-D364 PolarHBondContact O-N 3Å; A361-D364 PolarHBondContact O-N 3.17Å; D364-K367 WeakPolarHBondContact O-CE 3.35Å; D364-K367 PolarHBondContact O-NZ 2.87Å; D364-K367 WeakPolarHBondContact OD2-CE 3.49Å; D364-K367 IonicContact OD2-NZ 2.62Å; D364-K367 PolarHBondContact OD2-NZ 3.17Å
365L74.2Confident58.1Low42 Ų4275.6 Ų75.622%0.2240%0.403CS..  trans-96.6-4.4178.1-65.6175.7000113.1Y113 M115 L360 L363 K367Y113-L365 HydrophobicContact CD1-CB 4.5Å; Y113-L365 HydrophobicContact CD1-CD1 3.8Å; Y113-L365 HydrophobicContact CE1-CD1 3.91Å; Y113-L365 HydrophobicContact CG-CB 4.41Å; Y113-L365 HydrophobicContact CG-CD1 4.43Å; M115-L365 HydrophobicContact CE-CD1 4.04Å; L360-L365 HydrophobicContact CB-CB 4.36Å; L360-L365 HydrophobicContact CD2-CB 4.05Å; L360-L365 HydrophobicContact CD2-CD1 4Å; L360-L365 PolarHBondContact O-N 3.17Å; L363-L365 HydrophobicContact CB-CD1 3.82Å; L363-L365 HydrophobicContact CB-CG 3.85Å; L363-L365 HydrophobicContact CD1-CD1 3.93Å; L363-L365 PolarHBondContact O-N 3.2Å; L365-K367 PolarHBondContact O-N 3.14Å
366L65.5Low56.9Low40 Ų4078.4 Ų78.421%0.20943%0.428CS..  trans-8563.4171.8-64.7174.1000110.2Y104 I112 I357 L360 A361Y104-L366 HydrophobicContact CD1-CD1 3.85Å; Y104-L366 HydrophobicContact CD2-CD1 3.98Å; Y104-L366 HydrophobicContact CE1-CB 4.08Å; Y104-L366 HydrophobicContact CE1-CD1 3.23Å; Y104-L366 HydrophobicContact CE1-CG 4.24Å; Y104-L366 HydrophobicContact CE2-CD1 3.36Å; Y104-L366 HydrophobicContact CG-CD1 4.21Å; Y104-L366 VanDerWaalsContact OH-CD1 3.3Å; Y104-L366 WeakPolarHBondContact OH-CD1 3.41Å; I112-L366 HydrophobicContact CG2-CD2 4.42Å; I357-L366 HydrophobicContact CG2-CD1 4.13Å; I357-L366 WeakPolarHBondContact O-CD1 3.37Å; L360-L366 HydrophobicContact CB-CD1 4.11Å; L360-L366 HydrophobicContact CB-CD2 3.67Å; L360-L366 HydrophobicContact CB-CG 3.61Å; L360-L366 HydrophobicContact CD1-CD2 3.89Å; L360-L366 HydrophobicContact CG-CD2 4.47Å; L360-L366 PolarHBondContact O-N 3.29Å; A361-L366 HydrophobicContact CB-CD1 3.79Å
367K54.3Low55.8Low129 Ų12981.5 Ų81.556%0.56145%0.445SS*.  trans-95.6124.6171.1-72.6172.3179.2152.80108.1D364 L365D364-K367 WeakPolarHBondContact O-CE 3.35Å; D364-K367 PolarHBondContact O-NZ 2.87Å; D364-K367 WeakPolarHBondContact OD2-CE 3.49Å; D364-K367 IonicContact OD2-NZ 2.62Å; D364-K367 PolarHBondContact OD2-NZ 3.17Å; L365-K367 PolarHBondContact O-N 3.14Å
368E42.3Very low54.8Low165 Ų16582.6 Ų82.677%0.77145%0.449SS*.  trans-53.4138.2162.6-83177.5167.800108L370E368-L370 PolarHBondContact O-N 2.98Å
369P31.6Very low54Low86 Ų8682.6 Ų82.656%0.55845%0.451SS*.  trans-59.2101.5176.5-1627.6000108.6E371P369-E371 PolarHBondContact O-N 3.43Å
370L33.2Very low52.6Low151 Ų15186 Ų8679%0.79147%0.474SS*.  trans-56.9123.8155.8-67.1170.2000104.4E368 Q372E368-L370 PolarHBondContact O-N 2.98Å; L370-Q372 PolarHBondContact O-N 2.85Å
371E35.2Very low51.1Low197 Ų19788.4 Ų88.492%0.92149%0.487SS*.SBendtrans-55.920-160.6-65.7-174.1143.800117.8P369P369-E371 PolarHBondContact O-N 3.43Å
372Q31Very low49.8Very low187 Ų18789.6 Ų89.687%0.87449%0.493SS*.  trans-142.166.2-178.1-63.9178.40.200111.5L370L370-Q372 PolarHBondContact O-N 2.85Å
373S29.1Very low47.9Very low86 Ų8694.8 Ų94.860%0.60153%0.529SS*.  trans-159.3111.8145.854.60000111.1S375S373-S375 PolarHBondContact O-N 3Å
374S31.9Very low46.2Very low142 Ų14298.6 Ų98.699%0.99355%0.548SS*.  trans-68.875163.8-470000108.6
375S39.5Very low44.4Very low50 Ų50100.1 Ų100.135%0.3556%0.564SS.*  trans-103132.1176.447.70000110.3S373 N377 F378S373-S375 PolarHBondContact O-N 3Å; S375-N377 PolarHBondContact O-N 3.37Å; S375-F378 WeakPolarHBondContact OG-CE2 3.22Å
376S52Low42.1Very low114 Ų114105.3 Ų105.380%0.79759%0.592SS**SBendtrans-70.6-1.3-173.148.60000115.3F378S376-F378 PolarHBondContact O-N 3.23Å
377N61.5Low40.2Very low67 Ų67110.3 Ų110.336%0.35862%0.619SS.*  trans-101.344.9-167.2-62.53.3000112.2Y113 D114 S375Y113-N377 CarbonylContact C-O 3.57Å; Y113-N377 WeakPolarHBondContact CA-O 3.25Å; Y113-N377 HydrophobicContact CD2-CB 4.17Å; Y113-N377 HydrophobicContact CE2-CB 3.84Å; D114-N377 PolarHBondContact N-O 2.82Å; S375-N377 PolarHBondContact O-N 3.37Å
378F59.6Low38.8Very low52 Ų52110.8 Ų110.823%0.22863%0.633CS.*EExtended strand (participates in β ladder)trans-141.1121.7-170.3-87.2-70.1000111.3R111 I112 S375 S376R111-F378 HydrophobicContact CB-CB 3.9Å; R111-F378 HydrophobicContact CB-CD1 3.96Å; R111-F378 HydrophobicContact CB-CG 4.26Å; R111-F378 HydrophobicContact CG-CB 4.49Å; R111-F378 WeakPolarHBondContact O-CD1 3.4Å; I112-F378 CarbonylContact O-C 3.56Å; I112-F378 VanDerWaalsContact O-CA 3.31Å; I112-F378 WeakPolarHBondContact O-CA 3.37Å; S375-F378 WeakPolarHBondContact OG-CE2 3.22Å; S376-F378 PolarHBondContact O-N 3.23Å
379I61.1Low37.9Very low80 Ų80110.7 Ų110.741%0.4164%0.637SS.*EExtended strand (participates in β ladder)trans-117.3148.7-178.5-68178.2000111.5R111 I112 D114R111-I379 WeakPolarHBondContact CA-O 3.22Å; I112-I379 PolarHBondContact N-O 3.27Å; I112-I379 PolarHBondContact O-N 3.41Å; D114-I379 HydrophobicContact CB-CD1 3.86Å; D114-I379 HydrophobicContact CB-CG1 3.86Å; D114-I379 WeakPolarHBondContact OD1-CD1 3.37Å; D114-I379 VanDerWaalsContact OD2-CD1 3.27Å; D114-I379 WeakPolarHBondContact OD2-CD1 3.27Å
380S48.9Very low37.5Very low73 Ų73112 Ų11251%0.5165%0.645SS.*EExtended strand (participates in β ladder)trans-76.2146.6173.4-62.50000113.3
381I47.6Very low36.9Very low51 Ų51113.8 Ų113.826%0.26265%0.65SS.*PPolyproline II helixtrans-60.1129.6-172.8-52.5169.3000112.5L106 Q107 A110L106-I381 HydrophobicContact CB-CD1 3.44Å; L106-I381 VanDerWaalsContact CB-CD1 3.44Å; L106-I381 HydrophobicContact CB-CG1 4.47Å; L106-I381 HydrophobicContact CD1-CD1 4.21Å; L106-I381 HydrophobicContact CD1-CG1 4.46Å; L106-I381 HydrophobicContact CG-CD1 4.4Å; Q107-I381 WeakPolarHBondContact O-CD1 3.32Å; A110-I381 HydrophobicContact CB-CD1 4.4Å; A110-I381 WeakPolarHBondContact O-CG1 3.42Å
382P40Very low36.4Very low45 Ų45109.6 Ų109.629%0.29264%0.642SS.*PPolyproline II helixtrans-78.9143.6165.7-622.3000111.7R352 I384R352-P382 HydrophobicContact CG-CB 4.37Å; R352-P382 HydrophobicContact CG-CG 4.05Å; P382-I384 PolarHBondContact O-N 3.29Å
383P30.5Very low35.9Very low128 Ų128109.6 Ų109.683%0.83164%0.642SS**PPolyproline II helixtrans-62.6119.718024.4-32000111.3S385P383-S385 PolarHBondContact O-N 3.03Å
384I36Very low35.7Very low112 Ų112111 Ų11157%0.57465%0.652SS**PPolyproline II helixtrans-74.9119.9178.2-59171.6000108.6P382 N386P382-I384 PolarHBondContact O-N 3.29Å; I384-N386 PolarHBondContact O-N 3.46Å; I384-N386 VanDerWaalsContact O-N 3.13Å
385S27.6Very low35.3Very low105 Ų105112.8 Ų112.873%0.73465%0.645SS**  trans-67.1105.9169.7-60.50000109.8P383 D387P383-S385 PolarHBondContact O-N 3.03Å; S385-D387 PolarHBondContact O-N 3.49Å
386N25.5Very low34.4Very low151 Ų151115.4 Ų115.481%0.80766%0.663SS**  trans-76.668.1172.5-79.8-17.9000111I384I384-N386 PolarHBondContact O-N 3.46Å; I384-N386 VanDerWaalsContact O-N 3.13Å
387D26Very low33Very low145 Ų145118.4 Ų118.478%0.77567%0.669SS**  trans-118.657.6171.9-79-32.3000110.8S385S385-D387 PolarHBondContact O-N 3.49Å
388T24.2Very low31.1Very low140 Ų140120 Ų12086%0.85969%0.686SS**  trans-165.779.5155.9-3.30000110.7
389L23.9Very low29.4Very low163 Ų163126.7 Ų126.785%0.85372%0.717SS**  trans-135.6118.4158.3-155.780.2000109Q391L389-Q391 PolarHBondContact O-N 2.88Å
390P24.2Very low27.5Very low112 Ų112127.6 Ų127.673%0.72773%0.731SS**  trans-67.9129.1174.7-12.426.6000109.9S392P390-S392 PolarHBondContact O-N 3.41Å
391Q20.9Very low26.3Very low190 Ų190132 Ų13289%0.88875%0.749SS**  trans-49.7107.1174.2-70.2171.7-14.400111.2L389L389-Q391 PolarHBondContact O-N 2.88Å
392S23.7Very low25Very low108 Ų108139.1 Ų139.176%0.75578%0.778SS**  trans-106.7106.3156.428.10000107.8P390 S394P390-S392 PolarHBondContact O-N 3.41Å; S392-S394 PolarHBondContact O-N 3.48Å
393Q21.4Very low24.3Very low187 Ų187144.8 Ų144.887%0.87480%0.804SS**  trans-55.8113.7177.7-64.3166.6-2.400110
394S24.8Very low23.9Very low117 Ų117144.9 Ų144.982%0.81880%0.802SS**  trans-133.3121.815337.90000108.1S392S392-S394 PolarHBondContact O-N 3.48Å
395Q23.3Very low23.1Very low179 Ų179145.2 Ų145.284%0.83681%0.81SS**  trans-69.3136.2-164.9-71.2164.3-25.600112.1
396S19.8Very low22.8Very low104 Ų104145.9 Ų145.973%0.72781%0.814SS**  trans10.4110.5143.457.20000117.9
397L22.5Very low22.5Very low178 Ų178144.5 Ų144.593%0.93282%0.816SS**  trans-124.689.5138.9-100.4136.1000107.7
398S21.3Very low22.4Very low101 Ų101140.7 Ų140.771%0.70681%0.811SS**  trans-68.7121.8163.250.20000109.3
399Q24.2Very low22.3Very low191 Ų191139.9 Ų139.989%0.89381%0.811SS**  -166.2128.5128-104.7164.81000110.3
400S21.4Very low22.2Very low100 Ų100140.2 Ų140.270%0.69981%0.812SS**  trans-55.3137.9177.245.50000114.3
401D23.9Very low22.1Very low164 Ų164141.6 Ų141.688%0.87781%0.812SS**  trans-138.2109.6133.1-91.6-33.6000109.8I403D401-I403 PolarHBondContact O-N 3.37Å
402K21Very low22.2Very low201 Ų201139.7 Ų139.787%0.87480%0.803SS**  trans-74110.8167-86.9174.7170176.50107.6
403I23.6Very low22.2Very low165 Ų165142.9 Ų142.985%0.84681%0.811SS**  trans-123.4119.2151.6-61.6-179.9000108D401D401-I403 PolarHBondContact O-N 3.37Å
404T21.8Very low22.2Very low129 Ų129140.6 Ų140.679%0.79180%0.804SS**  trans-66.5140.1-169.8-33.70000111.9S406T404-S406 PolarHBondContact O-N 3.48Å
405V19.5Very low22.1Very low120 Ų120140.1 Ų140.173%0.72780%0.8SS**  trans-48.4129.9164.5175.20000111
406S21.8Very low22.2Very low119 Ų119137.2 Ų137.283%0.83280%0.799SS**  trans-144.2104.8149.1-81.80000109T404 G408T404-S406 PolarHBondContact O-N 3.48Å; S406-G408 PolarHBondContact O-N 2.6Å
407S19.9Very low22.3Very low122 Ų122141.1 Ų141.185%0.85381%0.811SS**  trans-57.3114.4165-50.40000109.1
408G22.4Very low22.4Very low64 Ų64137.6 Ų137.666%0.6680%0.801SS**  trans-145.898.4175.200000109.6S406 I410S406-G408 PolarHBondContact O-N 2.6Å; G408-I410 PolarHBondContact O-N 3.3Å
409S21.9Very low22.6Very low123 Ų123141.6 Ų141.686%0.8681%0.809SS**  trans-51.5122.3165.4-57.80000110.3
410I23.5Very low22.3Very low170 Ų170140.3 Ų140.387%0.87281%0.805SS**  trans-127.9115.4159-61.4-178.4000108.9G408G408-I410 PolarHBondContact O-N 3.3Å
411I22.2Very low22.3Very low142 Ų142140.9 Ų140.973%0.72881%0.806SS**  trans-66.3143175.5-76.7165000111
412H22.9Very low22.1Very low150 Ų150138.6 Ų138.669%0.69480%0.802SS**  trans26.4107.6156.3-74.5-89000119.5
413N23.8Very low22.2Very low174 Ų174134.6 Ų134.693%0.9380%0.799SS**  trans-108.182147.7-95.9-14.6000109.8
414I20.3Very low22.1Very low140 Ų140131 Ų13172%0.71879%0.794SS**  trans-97.399.8151-64.3170.7000104.7
415S23.1Very low22.3Very low106 Ų106132.6 Ų132.674%0.74180%0.798SS**  trans177.284.1157.8-79.50000109.1
416S26.1Very low22.4Very low118 Ų118132 Ų13283%0.82580%0.799SS**  trans-161.367153.7-76.10000108.4S418S416-S418 PolarHBondContact O-N 3.02Å
417L20.7Very low22.8Very low187 Ų187133.2 Ų133.298%0.97980%0.801SS**  trans-69.1104.1148.6-9987000106.3
418S26Very low22.9Very low103 Ų103135.8 Ų135.872%0.7280%0.8SS**  trans-117.49716059.10000108.4S416S416-S418 PolarHBondContact O-N 3.02Å
419Q23.9Very low22.9Very low186 Ų186140 Ų14087%0.86981%0.807SS**  trans45.5117.5139.8-67.4174.1-14.900118.9
420M18.6Very low23Very low163 Ų163140.5 Ų140.580%0.80381%0.809SS**  trans-51.5143.8154.5-61.2-155.286.900112
421P22.3Very low22.9Very low113 Ų113138.8 Ų138.873%0.73481%0.807SS**  trans-90113.3139.712.85.5000108.7S423P421-S423 PolarHBondContact O-N 2.84Å
422C19.2Very low23Very low116 Ų116139.3 Ų139.378%0.78481%0.811SS**  trans-68.4109.2158.6-65.10000108
423S22.6Very low22.9Very low116 Ų116145.1 Ų145.181%0.81183%0.827SS**  trans-99.999.4160.2-70.50000108.1P421 N425P421-S423 PolarHBondContact O-N 2.84Å; S423-N425 PolarHBondContact O-N 3.43Å
424A22.2Very low22.7Very low90 Ų90145.3 Ų145.374%0.74482%0.82SS**  trans-65.5121.4161.600000108.5
425N24.5Very low22.7Very low162 Ų162144.2 Ų144.287%0.86682%0.823SS**  trans-167.3107.3147-92.4-18.6000109.9S423S423-N425 PolarHBondContact O-N 3.43Å
426S23.5Very low22.7Very low109 Ų109147.3 Ų147.376%0.76283%0.829SS**  trans5389.8144.8-174.20000118.8
427V28.3Very low22.5Very low144 Ų144149.8 Ų149.887%0.87383%0.828SS**  trans-137.287.9137.4-174.30000107
428E23.1Very low22.5Very low176 Ų176148.8 Ų148.882%0.82282%0.824SS**  trans-69.6158.8157.7-75.4177.3154.900109.2
429D23.1Very low22.3Very low152 Ų152151.2 Ų151.281%0.81383%0.829SS**  trans77.282.8178.3-79-10.3000117.9
430C23.3Very low22.1Very low133 Ų133146.9 Ų146.990%0.89982%0.819SS**  trans-163.759.3138.4-97.70000110.7
431T22Very low22.2Very low135 Ų135144.4 Ų144.483%0.82882%0.817SS**  trans-139.279.9165.254.90000110.3
432D22.9Very low22.3Very low153 Ų153148.1 Ų148.182%0.81882%0.822SS**  trans-155.878.5151.6-134.7-0.8000111.1
433W20.8Very low22.3Very low271 Ų271151.1 Ų151.1100%1.02783%0.825SS**  trans-116.470.6160.8-120.6-25.1000107.6
434K20.8Very low22.2Very low179 Ų179151.2 Ų151.278%0.77882%0.82SS**  trans-102131.3164.1-149174.2-174.7-179.80108.8I436K434-I436 PolarHBondContact O-N 3.47Å
435C19.6Very low22.3Very low117 Ų117155.1 Ų155.179%0.79182%0.821SS**  trans-47.4126.6-174.4-58.20000112.6E437C435-E437 PolarHBondContact O-N 2.83Å
436I22.5Very low22.2Very low170 Ų170155.6 Ų155.687%0.87282%0.818SS**  trans-79.394.5163.7-63175000106.2K434K434-I436 PolarHBondContact O-N 3.47Å
437E22Very low22.2Very low170 Ų170155.9 Ų155.979%0.79482%0.82SS**  trans-66.5138.6161.2-81.9177.2150.500109.5C435 D439C435-E437 PolarHBondContact O-N 2.83Å; E437-D439 PolarHBondContact O-N 3.32Å; E437-D439 VanDerWaalsContact O-N 3.15Å
438N20.5Very low22Very low166 Ų166152.9 Ų152.989%0.88882%0.818SS**  trans-61.4109170.4-71.9-39.3000109
439D22.2Very low21.8Very low154 Ų154151.4 Ų151.482%0.82482%0.815SS**  trans-120.7110.3158.7-126.7-15.8000110.7E437E437-D439 PolarHBondContact O-N 3.32Å; E437-D439 VanDerWaalsContact O-N 3.15Å
440S19.4Very low21.7Very low96 Ų96150.3 Ų150.367%0.67182%0.816SS**  trans-57.1150.7165.846.70000111.6
441S21Very low21.5Very low110 Ų110154.5 Ų154.577%0.76981%0.813SS**  trans96.4102.2161.774.80000118.4
442K24.9Very low21.5Very low191 Ų191156.4 Ų156.483%0.8382%0.817SS**  156.296.4128.7-84.8171.3-176.7177.70109.1
443E20Very low21.6Very low179 Ų179154 Ų15484%0.83681%0.812SS**  71.8117.390.3-93.1-167.3173.200115.9
444T20.3Very low21.7Very low118 Ų118150 Ų15072%0.72481%0.805SS**  trans88.6104.2142.9-310000119
445K24.3Very low21.8Very low172 Ų172147.1 Ų147.175%0.74881%0.807SS**  -179.7124.9106-96175.7-176.3177.30112.1
446Q22Very low22Very low173 Ų173153 Ų15381%0.80881%0.813SS**  trans54.5138.2138-66.6171.9-19.100118.5
447S22.9Very low22.1Very low115 Ų115152 Ų15280%0.80481%0.808SS**  cis177.9135.1243.80000105.3
448G25Very low22.3Very low81 Ų81151.3 Ų151.384%0.83581%0.808SS**  trans163.482.917300000114
449L18.7Very low22.5Very low145 Ų145147.9 Ų147.976%0.75980%0.797SS**  trans-78.7151164.1-117.692.5000109.5R451L449-R451 HydrophobicContact CD2-CB 4.45Å; L449-R451 HydrophobicContact CD2-CG 3.79Å
450P21.6Very low22.6Very low128 Ų128147 Ų14783%0.83180%0.798SS**  -133145.289.532-18.1000114.8
451R18.8Very low22.8Very low221 Ų221148 Ų14883%0.83480%0.799SS**  trans-60.8128.8165.1-85.3169.4170.1-177.5-3.6110.7L449L449-R451 HydrophobicContact CD2-CB 4.45Å; L449-R451 HydrophobicContact CD2-CG 3.79Å
452L22.4Very low22.9Very low175 Ų175149.7 Ų149.792%0.91680%0.8SS**  trans-129.9115.9140.9-78.9178.3000108.3
453S23.4Very low23.2Very low103 Ų103147.4 Ų147.472%0.7280%0.802SS**  trans-68.2136.9170.934.30000111.2
454E23.1Very low23.7Very low186 Ų186145.7 Ų145.787%0.86980%0.804SS**  trans43.999.4147.1-67.9176.6168.200118.2
455S24.4Very low24.3Very low119 Ų119143 Ų14383%0.83280%0.8SS**  trans-144104.5145.1-750000110.4I457S455-I457 PolarHBondContact O-N 3.03Å
456R22.6Very low24.8Very low242 Ų242146.2 Ų146.291%0.91381%0.808SS**  trans-31.9101.3165.5-152.9180-66.3-171.3-0.8112.7
457I25.7Very low25.9Very low149 Ų149141.3 Ų141.376%0.76480%0.803SS**  trans-128.4119.2156.3-61.4-179.4000107.8S455 S459S455-I457 PolarHBondContact O-N 3.03Å; I457-S459 PolarHBondContact O-N 3.36Å
458I25.7Very low27.5Very low155 Ų155139.6 Ų139.680%0.79580%0.796SS**  trans-66.592.5-177.1-62162.3000107.5
459S25.1Very low29.6Very low93 Ų93139.3 Ų139.365%0.6577%0.772SS**  trans-109.3100.7162.6-64.70000106.4I457 T461I457-S459 PolarHBondContact O-N 3.36Å; S459-T461 VanDerWaalsContact C-N 3.28Å; S459-T461 PolarHBondContact O-N 2.84Å
460T23.5Very low32.6Very low137 Ų137136.5 Ų136.584%0.8476%0.758SS**  trans-50.790.3167.931.20000110.3
461T22.9Very low35.7Very low115 Ų115131.5 Ų131.571%0.70672%0.724SS**  trans-119.5112.2154.349.20000105.6S459S459-T461 VanDerWaalsContact C-N 3.28Å; S459-T461 PolarHBondContact O-N 2.84Å
462N24.6Very low39.1Very low147 Ų147123.9 Ų123.979%0.78670%0.702SS**  trans163.786.1146.8-79.9-10.7000108.9
463T29.4Very low42.5Very low142 Ų142116.7 Ų116.787%0.87166%0.663SS**  trans-135.484141.618.30000107.4G465T463-G465 PolarHBondContact O-N 3.12Å
464T32.1Very low45.8Very low144 Ų144115.3 Ų115.388%0.88365%0.65SS**  trans-5479.1144.337.70000108.7
465G31.3Very low49.2Very low62 Ų62106.6 Ų106.664%0.63961%0.61SS**  trans-110.699.3174.600000109.7T463 G467T463-G465 PolarHBondContact O-N 3.12Å; G465-G467 PolarHBondContact O-N 3.31Å
466R35.2Very low52.6Low239 Ų239103.1 Ų103.190%0.90259%0.588SS**  trans-42.3123.9165.6-94.8176.8177.4-128.41109.6A468R466-A468 PolarHBondContact O-N 3.32Å
467G46.5Very low56.1Low69 Ų6992.1 Ų92.171%0.71155%0.547SS*.  trans-70.465.1173.600000112.5G465 F469G465-G467 PolarHBondContact O-N 3.31Å; G467-F469 PolarHBondContact O-N 3.13Å
468A55.8Low59.3Low80 Ų8088.5 Ų88.566%0.66153%0.532SS*.  trans-70.2119.8169.700000108.6R466R466-A468 PolarHBondContact O-N 3.32Å
469F68.5Low62.4Low75 Ų7586.8 Ų86.833%0.32952%0.516SS..  trans-62.9136.4170.5-59.3-75.3000109.5G467 D471 L499G467-F469 PolarHBondContact O-N 3.13Å; F469-D471 PolarHBondContact O-N 2.84Å; F469-L499 WeakPolarHBondContact O-CD1 3.47Å
470D81.9Confident65.5Low86 Ų8683.3 Ų83.346%0.4649%0.493SS..SBendtrans-71.1-6.3-177.8-166.430.7000113.3V498 L499 S500D470-V498 CarbonylContact O-C 3.48Å; D470-V498 WeakPolarHBondContact O-CA 3.28Å; D470-L499 PolarHBondContact O-N 3.21Å; D470-S500 WeakPolarHBondContact OD1-CB 3.42Å; D470-S500 PolarHBondContact OD1-N 2.85Å; D470-S500 VanDerWaalsContact OD1-N 3.11Å; D470-S500 PolarHBondContact OD1-OG 3.44Å; D470-S500 VanDerWaalsContact OD1-OG 3.09Å; D470-S500 PolarHBondContact OD2-OG 3.34Å
471D87.1Confident68.4Low22 Ų2280.3 Ų80.312%0.11847%0.469CS..EExtended strand (participates in β ladder)trans-136.7139.9179.357.5-11.5000113.9F469 Y473 R496 T497 V498 R576F469-D471 PolarHBondContact O-N 2.84Å; D471-Y473 HydrophobicContact CB-CE2 4.44Å; D471-Y473 WeakPolarHBondContact OD2-CE2 3.35Å; D471-Y473 PolarHBondContact OD2-OH 3.43Å; D471-R496 HydrophobicContact CB-CG 4.18Å; D471-R496 IonicContact OD2-CZ 2.75Å; D471-R496 VanDerWaalsContact OD2-CZ 3.25Å; D471-R496 IonicContact OD2-NE 3.96Å; D471-R496 PolarHBondContact OD2-NE 2.61Å; D471-R496 IonicContact OD2-NH2 2.63Å; D471-R496 PolarHBondContact OD2-NH2 3.36Å; D471-T497 CarbonylContact C-O 3.57Å; D471-T497 VanDerWaalsContact CA-O 3.3Å; D471-T497 WeakPolarHBondContact CA-O 3.28Å; D471-V498 HydrophobicContact CB-CG2 4.46Å; D471-R576 PolarHBondContact O-NH2 3.09Å; D471-R576 IonicContact OD1-CZ 3.56Å; D471-R576 IonicContact OD1-NH2 3.99Å; D471-R576 PolarHBondContact OD1-NH2 3.13Å
472V90Very high71.3Confident62 Ų6279.3 Ų79.338%0.37646%0.458SS..EExtended strand (participates in β ladder)trans-112128178.2-179.30000109.2R496 T497 L499V472-R496 CarbonylContact O-C 3.41Å; V472-R496 WeakPolarHBondContact O-CA 3.48Å; V472-T497 PolarHBondContact N-O 2.69Å; V472-T497 PolarHBondContact O-N 3.27Å; V472-L499 HydrophobicContact CG2-CD1 4.14Å; V472-L499 HydrophobicContact CG2-CD2 3.9Å; V472-L499 HydrophobicContact CG2-CG 4.09Å
473Y92.9Very high73.9Confident24 Ų2474.8 Ų74.89%0.09443%0.433CS..EExtended strand (participates in β ladder)trans-100.7138.7175.6-69.2-102.1000109.5D471 V494 T495 R496 W507 C564 I580 L583D471-Y473 HydrophobicContact CB-CE2 4.44Å; D471-Y473 WeakPolarHBondContact OD2-CE2 3.35Å; D471-Y473 PolarHBondContact OD2-OH 3.43Å; Y473-V494 HydrophobicContact CD1-CG1 4.07Å; Y473-T495 CarbonylContact C-O 3.56Å; Y473-T495 WeakPolarHBondContact CA-O 3.42Å; Y473-R496 HydrophobicContact CD1-CB 4.16Å; Y473-R496 HydrophobicContact CD1-CG 4.42Å; Y473-R496 HydrophobicContact CE1-CB 3.95Å; Y473-R496 HydrophobicContact CE1-CG 3.91Å; Y473-R496 HydrophobicContact CE2-CG 4.21Å; Y473-R496 WeakPolarHBondContact OH-CD 3.48Å; Y473-R496 PolarHBondContact OH-NE 2.87Å; Y473-W507 HydrophobicContact CD1-CH2 4.43Å; Y473-W507 AromaticContact CE1-CH2 3.89Å; Y473-W507 HydrophobicContact CE1-CH2 3.89Å; Y473-W507 HydrophobicContact CE1-CZ2 4.19Å; Y473-C564 WeakPolarHBondContact O-CB 3.33Å; Y473-I580 HydrophobicContact CD2-CG1 4.49Å; Y473-I580 HydrophobicContact CE2-CD1 4.08Å; Y473-I580 HydrophobicContact CE2-CG1 3.99Å; Y473-L583 HydrophobicContact CD1-CD1 4.34Å
474T93.1Very high75.6Confident74 Ų7477.2 Ų77.245%0.45443%0.434SS..EExtended strand (participates in β ladder)trans-125.8139.3166.757.40000108V494 T495T474-V494 CarbonylContact O-C 3.58Å; T474-V494 WeakPolarHBondContact O-CA 3.45Å; T474-T495 PolarHBondContact N-O 3.4Å; T474-T495 PolarHBondContact O-N 3.42Å; T474-T495 WeakPolarHBondContact OG1-CB 3.44Å; T474-T495 PolarHBondContact OG1-O 3.46Å
475A95.8Very high77.2Confident3 Ų376.5 Ų76.53%0.02543%0.425CS..EExtended strand (participates in β ladder)trans-137.5127.1-175.600000110.1I492 K493 L560 L583A475-I492 HydrophobicContact CB-CG2 3.94Å; A475-K493 WeakPolarHBondContact CA-O 3.22Å; A475-L560 HydrophobicContact CB-CB 4.35Å; A475-L560 HydrophobicContact CB-CD1 4.29Å; A475-L560 HydrophobicContact CB-CD2 4.4Å; A475-L583 HydrophobicContact CB-CD1 4.3Å; A475-L583 HydrophobicContact CB-CD2 3.63Å
476A95.8Very high79.2Confident46 Ų4678 Ų7838%0.3843%0.426SS..EExtended strand (participates in β ladder)trans-137.9132.1178.200000110.7T478 K493A476-T478 PolarHBondContact O-N 3.04Å; A476-K493 PolarHBondContact N-O 2.91Å; A476-K493 PolarHBondContact O-N 3.43Å
477I96.1Very high81.3Confident10 Ų1070.2 Ų70.25%0.05140%0.397CS..EExtended strand (participates in β ladder)trans-74.5114.5173.3-60.6163.5000108.6R479 Y490 T491 I492 F516 R553 L556 N557 L560I477-R479 WeakPolarHBondContact CG2-O 3.31Å; I477-Y490 HydrophobicContact CD1-CD1 4.41Å; I477-Y490 HydrophobicContact CG2-CD1 3.97Å; I477-Y490 HydrophobicContact CG2-CG 4.43Å; I477-T491 WeakPolarHBondContact CA-O 3.18Å; I477-I492 HydrophobicContact CG1-CG1 4.07Å; I477-F516 HydrophobicContact CD1-CZ 4.14Å; I477-R553 HydrophobicContact CB-CG 4.13Å; I477-R553 HydrophobicContact CG2-CG 3.68Å; I477-L556 HydrophobicContact CD1-CB 3.34Å; I477-L556 HydrophobicContact CD1-CD1 4.15Å; I477-L556 HydrophobicContact CD1-CG 4.41Å; I477-N557 WeakPolarHBondContact CB-OD1 3.34Å; I477-N557 PolarHBondContact N-OD1 3.48Å; I477-N557 PolarHBondContact O-ND2 2.91Å; I477-L560 HydrophobicContact CD1-CD1 4.12Å; I477-L560 HydrophobicContact CG1-CD1 3.86Å
478T92.3Very high83Confident73 Ų7367.6 Ų67.645%0.44837%0.367SS..EExtended strand (participates in β ladder)trans-86-42.9-179.552.30000111.3A476 T491 K493 R553A476-T478 PolarHBondContact O-N 3.04Å; T478-T491 PolarHBondContact N-O 3.18Å; T478-T491 PolarHBondContact OG1-O 3.46Å; T478-K493 HydrophobicContact CG2-CB 3.66Å; T478-K493 HydrophobicContact CG2-CD 4.39Å; T478-R553 PolarHBondContact O-NH1 3.35Å
479R90.6Very high84.6Confident120 Ų12065.1 Ų65.145%0.45334%0.342SS..EExtended strand (participates in β ladder)trans-142.2155.5-176.756-177177.4168.7-15112.1I477 E481 Y490 T491I477-R479 WeakPolarHBondContact CG2-O 3.31Å; R479-E481 VanDerWaalsContact CD-OE1 3.28Å; R479-E481 WeakPolarHBondContact CD-OE1 3.44Å; R479-E481 IonicContact CZ-OE1 2.67Å; R479-E481 IonicContact NE-OE1 2.72Å; R479-E481 IonicContact NH1-OE1 3.87Å; R479-E481 PolarHBondContact NH1-OE1 3.42Å; R479-Y490 WeakPolarHBondContact O-CA 3.35Å; R479-T491 VanDerWaalsContact CG-CB 3.47Å; R479-T491 HydrophobicContact CG-CG2 4.36Å; R479-T491 VanDerWaalsContact CG-OG1 3.28Å; R479-T491 WeakPolarHBondContact CG-OG1 3.09Å; R479-T491 PolarHBondContact NE-OG1 3.08Å; R479-T491 PolarHBondContact O-N 2.89Å
480A89.9Confident85.8Confident19 Ų1961.5 Ų61.516%0.15733%0.327CS..EExtended strand (participates in β ladder)trans-130.6127.3168.900000107.7V488 I489 Y490 R553A480-V488 HydrophobicContact CB-CG1 4.07Å; A480-I489 CarbonylContact C-O 3.59Å; A480-I489 VanDerWaalsContact CA-O 3.28Å; A480-I489 WeakPolarHBondContact CA-O 3.49Å; A480-Y490 HydrophobicContact CB-CD1 3.56Å; A480-Y490 HydrophobicContact CB-CE1 3.69Å; A480-R553 VanDerWaalsContact CB-NH2 3.29Å; A480-R553 VanDerWaalsContact N-CZ 3.35Å
481E85.3Confident86.4Confident74 Ų7457.5 Ų57.535%0.34631%0.305SS..EExtended strand (participates in β ladder)trans-122.7137.8-173.6-66.7173.7178.400109R479 M483 V488 I489R479-E481 VanDerWaalsContact CD-OE1 3.28Å; R479-E481 WeakPolarHBondContact CD-OE1 3.44Å; R479-E481 IonicContact CZ-OE1 2.67Å; R479-E481 IonicContact NE-OE1 2.72Å; R479-E481 IonicContact NH1-OE1 3.87Å; R479-E481 PolarHBondContact NH1-OE1 3.42Å; E481-M483 HydrophobicContact CB-CE 3.51Å; E481-V488 WeakPolarHBondContact O-CA 3.35Å; E481-I489 PolarHBondContact N-O 3.33Å; E481-I489 PolarHBondContact O-N 3.38Å
482I83.4Confident86.9Confident94 Ų9456.5 Ų56.548%0.48230%0.3SS..EExtended strand (participates in β ladder)trans-86.6122.5172.3-64.1166.6000107.1V488 M544 L549I482-V488 HydrophobicContact CG1-CG2 4.12Å; I482-M544 HydrophobicContact CB-CE 4.28Å; I482-M544 HydrophobicContact CD1-CE 4.22Å; I482-M544 HydrophobicContact CG1-CE 3.95Å; I482-M544 HydrophobicContact CG2-CE 3.44Å; I482-M544 VanDerWaalsContact CG2-CE 3.44Å; I482-L549 HydrophobicContact CD1-CD1 4Å; I482-L549 HydrophobicContact CG1-CD1 4.04Å
483M78.7Confident87.2Confident52 Ų5258.3 Ų58.326%0.25630%0.303SS..  trans-84.6161.6176.8-63.2-65.4104.300111.2E481 D485 S486 Y487 I489E481-M483 HydrophobicContact CB-CE 3.51Å; M483-D485 PolarHBondContact O-N 2.68Å; M483-S486 PolarHBondContact O-N 3.44Å; M483-Y487 HydrophobicContact CB-CD1 4.08Å; M483-Y487 HydrophobicContact CB-CD2 4.38Å; M483-Y487 HydrophobicContact CB-CE1 3.73Å; M483-Y487 HydrophobicContact CB-CE2 4.09Å; M483-Y487 HydrophobicContact CB-CG 4.37Å; M483-Y487 HydrophobicContact CG-CD2 4.19Å; M483-Y487 HydrophobicContact CG-CE1 4.21Å; M483-Y487 HydrophobicContact CG-CE2 3.69Å; M483-Y487 PolarHBondContact N-O 3.24Å; M483-I489 HydrophobicContact CE-CD1 4.48Å; M483-I489 HydrophobicContact CG-CB 4.47Å; M483-I489 HydrophobicContact CG-CD1 3.54Å; M483-I489 HydrophobicContact CG-CG1 3.69Å; M483-I489 HydrophobicContact SD-CD1 3.71Å; M483-I489 HydrophobicContact SD-CG1 4.35Å
484H65.5Low87.3Confident193 Ų19357.2 Ų57.289%0.89430%0.298SS*.THydrogen-bonded Turntrans-54.5-37179.3-72.9-71.8000113.1S486H484-S486 PolarHBondContact O-N 3.35Å
485D66.4Low87.4Confident129 Ų12955.2 Ų55.269%0.6929%0.286SS*.THydrogen-bonded Turntrans-81.427177.6-42.8-41.3000113.4M483 Y487M483-D485 PolarHBondContact O-N 2.68Å; D485-Y487 VanDerWaalsContact C-N 3.29Å; D485-Y487 HydrophobicContact CB-CD1 3.83Å; D485-Y487 HydrophobicContact CB-CE1 3.79Å; D485-Y487 PolarHBondContact O-N 2.87Å
486S72.9Confident87.3Confident93 Ų9358.9 Ų58.965%0.6530%0.3SS*.SBendtrans59.929.6173.1-58.50000115.5M483 H484 M544M483-S486 PolarHBondContact O-N 3.44Å; H484-S486 PolarHBondContact O-N 3.35Å; S486-M544 WeakPolarHBondContact O-CE 2.98Å
487Y78.4Confident87Confident76 Ų7659 Ų5930%0.29830%0.295SS..  trans-118.2159.917169.7-86.4000112.2M483 D485 I489M483-Y487 HydrophobicContact CB-CD1 4.08Å; M483-Y487 HydrophobicContact CB-CD2 4.38Å; M483-Y487 HydrophobicContact CB-CE1 3.73Å; M483-Y487 HydrophobicContact CB-CE2 4.09Å; M483-Y487 HydrophobicContact CB-CG 4.37Å; M483-Y487 HydrophobicContact CG-CD2 4.19Å; M483-Y487 HydrophobicContact CG-CE1 4.21Å; M483-Y487 HydrophobicContact CG-CE2 3.69Å; M483-Y487 PolarHBondContact N-O 3.24Å; D485-Y487 VanDerWaalsContact C-N 3.29Å; D485-Y487 HydrophobicContact CB-CD1 3.83Å; D485-Y487 HydrophobicContact CB-CE1 3.79Å; D485-Y487 PolarHBondContact O-N 2.87Å; Y487-I489 HydrophobicContact CD2-CG1 3.92Å; Y487-I489 HydrophobicContact CE2-CD1 3.64Å; Y487-I489 HydrophobicContact CE2-CG1 3.44Å; Y487-I489 VanDerWaalsContact CE2-CG1 3.44Å
488V81.8Confident86.7Confident15 Ų1559.7 Ų59.79%0.09130%0.3CS..EExtended strand (participates in β ladder)trans-105.9125.9-176.8-177.80000110.9A480 E481 I482 Y490 M544 L549A480-V488 HydrophobicContact CB-CG1 4.07Å; E481-V488 WeakPolarHBondContact O-CA 3.35Å; I482-V488 HydrophobicContact CG1-CG2 4.12Å; V488-Y490 HydrophobicContact CG1-CE1 4.2Å; V488-Y490 HydrophobicContact CG1-CE2 4.19Å; V488-M544 HydrophobicContact CG2-CE 4.14Å; V488-M544 HydrophobicContact CG2-SD 3.82Å; V488-L549 HydrophobicContact CB-CD2 4.5Å; V488-L549 HydrophobicContact CG1-CD2 4.24Å; V488-L549 HydrophobicContact CG2-CD1 4.18Å; V488-L549 HydrophobicContact CG2-CD2 3.8Å
489I89.9Confident86.3Confident27 Ų2761.1 Ų61.114%0.13831%0.305CS..EExtended strand (participates in β ladder)trans-102.7136170.7-62.9-176.3000109.3A480 E481 M483 Y487 L510A480-I489 CarbonylContact C-O 3.59Å; A480-I489 VanDerWaalsContact CA-O 3.28Å; A480-I489 WeakPolarHBondContact CA-O 3.49Å; E481-I489 PolarHBondContact N-O 3.33Å; E481-I489 PolarHBondContact O-N 3.38Å; M483-I489 HydrophobicContact CE-CD1 4.48Å; M483-I489 HydrophobicContact CG-CB 4.47Å; M483-I489 HydrophobicContact CG-CD1 3.54Å; M483-I489 HydrophobicContact CG-CG1 3.69Å; M483-I489 HydrophobicContact SD-CD1 3.71Å; M483-I489 HydrophobicContact SD-CG1 4.35Å; Y487-I489 HydrophobicContact CD2-CG1 3.92Å; Y487-I489 HydrophobicContact CE2-CD1 3.64Å; Y487-I489 HydrophobicContact CE2-CG1 3.44Å; Y487-I489 VanDerWaalsContact CE2-CG1 3.44Å; I489-L510 HydrophobicContact CG2-CB 3.92Å; I489-L510 HydrophobicContact CG2-CD2 3.99Å; I489-L510 HydrophobicContact CG2-CG 4.42Å
490Y93.6Very high85.9Confident0 Ų059.3 Ų59.30%031%0.31CS..EExtended strand (participates in β ladder)trans-103.4125.6171.1-56.5-83.8000109I477 R479 A480 V488 R511 F513 F516 R552 L556I477-Y490 HydrophobicContact CD1-CD1 4.41Å; I477-Y490 HydrophobicContact CG2-CD1 3.97Å; I477-Y490 HydrophobicContact CG2-CG 4.43Å; R479-Y490 WeakPolarHBondContact O-CA 3.35Å; A480-Y490 HydrophobicContact CB-CD1 3.56Å; A480-Y490 HydrophobicContact CB-CE1 3.69Å; V488-Y490 HydrophobicContact CG1-CE1 4.2Å; V488-Y490 HydrophobicContact CG1-CE2 4.19Å; Y490-R511 WeakPolarHBondContact CA-O 3.44Å; Y490-R511 WeakPolarHBondContact CB-O 3.47Å; Y490-R511 WeakPolarHBondContact CD2-O 3.36Å; Y490-R511 PolarHBondContact N-O 3.46Å; Y490-R511 PolarHBondContact O-N 3.36Å; Y490-F513 HydrophobicContact CE2-CB 4.08Å; Y490-F516 HydrophobicContact CD2-CE2 4.08Å; Y490-R552 WeakPolarHBondContact OH-CD 3.35Å; Y490-L556 HydrophobicContact CD1-CD1 4.23Å; Y490-L556 HydrophobicContact CD2-CD1 4.05Å; Y490-L556 HydrophobicContact CE1-CD1 3.91Å; Y490-L556 HydrophobicContact CE2-CD1 3.75Å; Y490-L556 HydrophobicContact CG-CD1 4.3Å
491T94.8Very high85.5Confident2 Ų261.6 Ų61.61%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-85.4117.8167-52.50000108.7I477 T478 R479 N508 L510I477-T491 WeakPolarHBondContact CA-O 3.18Å; T478-T491 PolarHBondContact N-O 3.18Å; T478-T491 PolarHBondContact OG1-O 3.46Å; R479-T491 VanDerWaalsContact CG-CB 3.47Å; R479-T491 HydrophobicContact CG-CG2 4.36Å; R479-T491 VanDerWaalsContact CG-OG1 3.28Å; R479-T491 WeakPolarHBondContact CG-OG1 3.09Å; R479-T491 PolarHBondContact NE-OG1 3.08Å; R479-T491 PolarHBondContact O-N 2.89Å; T491-N508 HydrophobicContact CG2-CB 3.92Å; T491-L510 HydrophobicContact CG2-CD2 4.19Å
492I96.6Very high85.2Confident0 Ų062.9 Ų62.90%034%0.339CS..EExtended strand (participates in β ladder)trans-101.3119.2177.4-50.5173.9000107.6A475 I477 V494 N508 T509 R511 F516 L560 F582 L583A475-I492 HydrophobicContact CB-CG2 3.94Å; I477-I492 HydrophobicContact CG1-CG1 4.07Å; I492-V494 HydrophobicContact CG2-CG2 4.02Å; I492-N508 CarbonylContact O-C 3.56Å; I492-N508 WeakPolarHBondContact O-CA 3.37Å; I492-T509 HydrophobicContact CB-CG2 3.86Å; I492-T509 HydrophobicContact CD1-CG2 4.31Å; I492-T509 HydrophobicContact CG1-CG2 4.48Å; I492-T509 PolarHBondContact N-O 3.44Å; I492-T509 PolarHBondContact O-N 3.49Å; I492-R511 HydrophobicContact CD1-CB 3.93Å; I492-R511 HydrophobicContact CD1-CG 3.69Å; I492-F516 HydrophobicContact CD1-CE1 4.43Å; I492-F516 HydrophobicContact CD1-CZ 3.76Å; I492-F516 HydrophobicContact CG1-CZ 4.5Å; I492-L560 HydrophobicContact CD1-CD1 4.27Å; I492-L560 HydrophobicContact CG1-CD1 4.45Å; I492-L560 HydrophobicContact CG2-CD1 3.95Å; I492-F582 HydrophobicContact CD1-CE1 3.8Å; I492-F582 HydrophobicContact CD1-CZ 4.34Å; I492-L583 HydrophobicContact CG2-CD2 4.37Å
493K96.7Very high85.3Confident101 Ų10165 Ų6544%0.43935%0.347SS..EExtended strand (participates in β ladder)trans-83.1121.9167.5-177.3177.5-178.7179.80108.3A475 A476 T478A475-K493 WeakPolarHBondContact CA-O 3.22Å; A476-K493 PolarHBondContact N-O 2.91Å; A476-K493 PolarHBondContact O-N 3.43Å; T478-K493 HydrophobicContact CG2-CB 3.66Å; T478-K493 HydrophobicContact CG2-CD 4.39Å
494V96.1Very high85.7Confident0 Ų066.7 Ų66.70%036%0.364CS..EExtended strand (participates in β ladder)trans-111.2135.6179.8-1740000108.5Y473 T474 I492 S506 W507 T509 L583Y473-V494 HydrophobicContact CD1-CG1 4.07Å; T474-V494 CarbonylContact O-C 3.58Å; T474-V494 WeakPolarHBondContact O-CA 3.45Å; I492-V494 HydrophobicContact CG2-CG2 4.02Å; V494-S506 CarbonylContact O-C 3.37Å; V494-S506 WeakPolarHBondContact O-CA 3.48Å; V494-S506 WeakPolarHBondContact O-CB 3.5Å; V494-W507 HydrophobicContact CB-CD2 4.24Å; V494-W507 HydrophobicContact CB-CZ2 4.05Å; V494-W507 HydrophobicContact CG1-CH2 4.12Å; V494-W507 HydrophobicContact CG1-CZ2 3.52Å; V494-W507 PolarHBondContact N-O 2.89Å; V494-W507 PolarHBondContact O-N 3.27Å; V494-T509 HydrophobicContact CG2-CG2 4.1Å; V494-L583 HydrophobicContact CG1-CB 4.15Å; V494-L583 HydrophobicContact CG1-CD1 4.34Å; V494-L583 HydrophobicContact CG2-CB 4.11Å; V494-L583 HydrophobicContact CG2-CD2 3.93Å
495T94.5Very high87Confident33 Ų3363 Ų6320%0.20235%0.347CS..EExtended strand (participates in β ladder)trans-127.8119.3172.4-57.20000109.4Y473 T474 E505Y473-T495 CarbonylContact C-O 3.56Å; Y473-T495 WeakPolarHBondContact CA-O 3.42Å; T474-T495 PolarHBondContact N-O 3.4Å; T474-T495 PolarHBondContact O-N 3.42Å; T474-T495 WeakPolarHBondContact OG1-CB 3.44Å; T474-T495 PolarHBondContact OG1-O 3.46Å; T495-E505 CarbonylContact C-O 3.35Å; T495-E505 WeakPolarHBondContact CA-O 3.23Å
496R93.4Very high88.2Confident80 Ų8060.2 Ų60.230%0.30234%0.338SS..EExtended strand (participates in β ladder)trans-100.7119.9175.3179.3-172.2-177-139.9-0.8108.4D471 V472 Y473 S504 E505 W507D471-R496 HydrophobicContact CB-CG 4.18Å; D471-R496 IonicContact OD2-CZ 2.75Å; D471-R496 VanDerWaalsContact OD2-CZ 3.25Å; D471-R496 IonicContact OD2-NE 3.96Å; D471-R496 PolarHBondContact OD2-NE 2.61Å; D471-R496 IonicContact OD2-NH2 2.63Å; D471-R496 PolarHBondContact OD2-NH2 3.36Å; V472-R496 CarbonylContact O-C 3.41Å; V472-R496 WeakPolarHBondContact O-CA 3.48Å; Y473-R496 HydrophobicContact CD1-CB 4.16Å; Y473-R496 HydrophobicContact CD1-CG 4.42Å; Y473-R496 HydrophobicContact CE1-CB 3.95Å; Y473-R496 HydrophobicContact CE1-CG 3.91Å; Y473-R496 HydrophobicContact CE2-CG 4.21Å; Y473-R496 WeakPolarHBondContact OH-CD 3.48Å; Y473-R496 PolarHBondContact OH-NE 2.87Å; R496-S504 CarbonylContact O-C 3.52Å; R496-S504 VanDerWaalsContact O-CA 3.28Å; R496-S504 WeakPolarHBondContact O-CA 3.47Å; R496-E505 PolarHBondContact N-O 3.23Å; R496-E505 PolarHBondContact O-N 3.43Å; R496-W507 HydrophobicContact CB-CH2 3.75Å; R496-W507 HydrophobicContact CB-CZ3 3.82Å
497T90.9Very high89.3Confident47 Ų4757.9 Ų57.929%0.28832%0.315SS..EExtended strand (participates in β ladder)trans-111.8117.5176.6-52.70000108.9D471 V472D471-T497 CarbonylContact C-O 3.57Å; D471-T497 VanDerWaalsContact CA-O 3.3Å; D471-T497 WeakPolarHBondContact CA-O 3.28Å; V472-T497 PolarHBondContact N-O 2.69Å; V472-T497 PolarHBondContact O-N 3.27Å
498V89.7Confident90Very high25 Ų2558.6 Ų58.615%0.15232%0.324CS..EExtended strand (participates in β ladder)trans-80.5121.8174.2-177.70000108.4D470 D471 S500 S502 Q503D470-V498 CarbonylContact O-C 3.48Å; D470-V498 WeakPolarHBondContact O-CA 3.28Å; D471-V498 HydrophobicContact CB-CG2 4.46Å; V498-S500 VanDerWaalsContact CG1-OG 3.24Å; V498-S500 WeakPolarHBondContact CG1-OG 3.49Å; V498-S502 WeakPolarHBondContact O-CA 3.18Å; V498-S502 PolarHBondContact O-N 2.85Å; V498-Q503 PolarHBondContact N-O 3.45Å
499L82.4Confident90.6Very high104 Ų10458 Ų5855%0.54532%0.321SS..THydrogen-bonded Turntrans-68.8-34.8-176.2-66.4177.5000112F469 D470 V472F469-L499 WeakPolarHBondContact O-CD1 3.47Å; D470-L499 PolarHBondContact O-N 3.21Å; V472-L499 HydrophobicContact CG2-CD1 4.14Å; V472-L499 HydrophobicContact CG2-CD2 3.9Å; V472-L499 HydrophobicContact CG2-CG 4.09Å
500S82.1Confident90.7Very high81 Ų8160.8 Ų60.857%0.56634%0.335SS*.THydrogen-bonded Turntrans-68.4-38.1179.255.70000114.1D470 V498D470-S500 WeakPolarHBondContact OD1-CB 3.42Å; D470-S500 PolarHBondContact OD1-N 2.85Å; D470-S500 VanDerWaalsContact OD1-N 3.11Å; D470-S500 PolarHBondContact OD1-OG 3.44Å; D470-S500 VanDerWaalsContact OD1-OG 3.09Å; D470-S500 PolarHBondContact OD2-OG 3.34Å; V498-S500 VanDerWaalsContact CG1-OG 3.24Å; V498-S500 WeakPolarHBondContact CG1-OG 3.49Å
501T83.1Confident90.6Very high68 Ų6860.9 Ų60.942%0.41734%0.336SS..THydrogen-bonded Turntrans-109.1-6.5-174.960.60000113.8Q503T501-Q503 PolarHBondContact O-N 2.94Å; T501-Q503 PolarHBondContact OG1-N 2.85Å
502S78.9Confident90.4Very high101 Ų10165.2 Ų65.271%0.70635%0.352SS*.  trans53.216.1-169.364.10000114.5V498V498-S502 WeakPolarHBondContact O-CA 3.18Å; V498-S502 PolarHBondContact O-N 2.85Å
503Q84.5Confident89.9Confident139 Ų13966.6 Ų66.665%0.6536%0.358SS*.  trans-78.6130.4177.1-68-175.713.100110V498 T501V498-Q503 PolarHBondContact N-O 3.45Å; T501-Q503 PolarHBondContact O-N 2.94Å; T501-Q503 PolarHBondContact OG1-N 2.85Å
504S87.2Confident89.3Confident86 Ų8665.4 Ų65.460%0.60135%0.35SS*.EExtended strand (participates in β ladder)trans-110.6124.1176.664.50000111R496R496-S504 CarbonylContact O-C 3.52Å; R496-S504 VanDerWaalsContact O-CA 3.28Å; R496-S504 WeakPolarHBondContact O-CA 3.47Å
505E92.2Very high89Confident115 Ų11565.7 Ų65.754%0.53735%0.352SS..EExtended strand (participates in β ladder)trans-107139171-171.3-177.2-175.700109T495 R496 W507T495-E505 CarbonylContact C-O 3.35Å; T495-E505 WeakPolarHBondContact CA-O 3.23Å; R496-E505 PolarHBondContact N-O 3.23Å; R496-E505 PolarHBondContact O-N 3.43Å; E505-W507 HydrophobicContact CB-CZ3 4.24Å; E505-W507 HydrophobicContact CG-CE3 4.03Å; E505-W507 HydrophobicContact CG-CZ3 4.03Å
506S93.1Very high88.9Confident72 Ų7264.1 Ų64.150%0.50334%0.342SS..EExtended strand (participates in β ladder)trans-135.7138.517775.20000112.8V494V494-S506 CarbonylContact O-C 3.37Å; V494-S506 WeakPolarHBondContact O-CA 3.48Å; V494-S506 WeakPolarHBondContact O-CB 3.5Å
507W95.6Very high88.5Confident43 Ų4363.3 Ų63.316%0.16335%0.346CS..EExtended strand (participates in β ladder)trans-141.4170.2177.460.790.2000110.7Y473 V494 R496 E505 L583 P585Y473-W507 HydrophobicContact CD1-CH2 4.43Å; Y473-W507 AromaticContact CE1-CH2 3.89Å; Y473-W507 HydrophobicContact CE1-CH2 3.89Å; Y473-W507 HydrophobicContact CE1-CZ2 4.19Å; V494-W507 HydrophobicContact CB-CD2 4.24Å; V494-W507 HydrophobicContact CB-CZ2 4.05Å; V494-W507 HydrophobicContact CG1-CH2 4.12Å; V494-W507 HydrophobicContact CG1-CZ2 3.52Å; V494-W507 PolarHBondContact N-O 2.89Å; V494-W507 PolarHBondContact O-N 3.27Å; R496-W507 HydrophobicContact CB-CH2 3.75Å; R496-W507 HydrophobicContact CB-CZ3 3.82Å; E505-W507 HydrophobicContact CB-CZ3 4.24Å; E505-W507 HydrophobicContact CG-CE3 4.03Å; E505-W507 HydrophobicContact CG-CZ3 4.03Å; W507-L583 PolarHBondContact NE1-O 3.15Å; W507-P585 HydrophobicContact CB-CG 4.5Å; W507-P585 HydrophobicContact CG-CG 4.04Å
508N92.7Very high88.3Confident91 Ų9161.7 Ų61.749%0.48734%0.335SS..EExtended strand (participates in β ladder)trans-108.4142.5171.4-67.7-47000109.7T491 I492T491-N508 HydrophobicContact CG2-CB 3.92Å; I492-N508 CarbonylContact O-C 3.56Å; I492-N508 WeakPolarHBondContact O-CA 3.37Å
509T93.5Very high88.3Confident4 Ų460.5 Ų60.53%0.02533%0.328CS..EExtended strand (participates in β ladder)trans-130.4148.5171.4-167.50000110.3I492 V494 R511 L583 Q584I492-T509 HydrophobicContact CB-CG2 3.86Å; I492-T509 HydrophobicContact CD1-CG2 4.31Å; I492-T509 HydrophobicContact CG1-CG2 4.48Å; I492-T509 PolarHBondContact N-O 3.44Å; I492-T509 PolarHBondContact O-N 3.49Å; V494-T509 HydrophobicContact CG2-CG2 4.1Å; T509-R511 VanDerWaalsContact OG1-CZ 3.23Å; T509-R511 PolarHBondContact OG1-NH1 2.77Å; T509-R511 PolarHBondContact OG1-NH2 3.2Å; T509-L583 WeakPolarHBondContact CG2-O 3.45Å; T509-Q584 PolarHBondContact OG1-O 3.41Å; T509-Q584 VanDerWaalsContact OG1-O 3.09Å
510L92.4Very high88.7Confident84 Ų8457.5 Ų57.544%0.4431%0.311SS..EExtended strand (participates in β ladder)trans-105.4124.9-175.4-60.9179.2000110.2I489 T491I489-L510 HydrophobicContact CG2-CB 3.92Å; I489-L510 HydrophobicContact CG2-CD2 3.99Å; I489-L510 HydrophobicContact CG2-CG 4.42Å; T491-L510 HydrophobicContact CG2-CD2 4.19Å
511R92.6Very high88.6Confident3 Ų355.1 Ų55.11%0.01129%0.294CS..EExtended strand (participates in β ladder)trans-138.7139.4179.3-62.6-66.5177.6-99.62.4111Y490 I492 T509 H515 F516 F582 Q584Y490-R511 WeakPolarHBondContact CA-O 3.44Å; Y490-R511 WeakPolarHBondContact CB-O 3.47Å; Y490-R511 WeakPolarHBondContact CD2-O 3.36Å; Y490-R511 PolarHBondContact N-O 3.46Å; Y490-R511 PolarHBondContact O-N 3.36Å; I492-R511 HydrophobicContact CD1-CB 3.93Å; I492-R511 HydrophobicContact CD1-CG 3.69Å; T509-R511 VanDerWaalsContact OG1-CZ 3.23Å; T509-R511 PolarHBondContact OG1-NH1 2.77Å; T509-R511 PolarHBondContact OG1-NH2 3.2Å; R511-H515 HydrophobicContact CB-CB 4.44Å; R511-F516 HydrophobicContact CB-CE2 3.97Å; R511-F582 HydrophobicContact CB-CE2 4.49Å; R511-F582 HydrophobicContact CB-CZ 3.99Å; R511-F582 HydrophobicContact CG-CE1 4.04Å; R511-F582 HydrophobicContact CG-CE2 4.01Å; R511-F582 HydrophobicContact CG-CZ 3.65Å; R511-F582 PolarHBondContact NE-O 3.09Å; R511-F582 PolarHBondContact NH2-O 3.39Å; R511-Q584 PolarHBondContact NH2-O 3.28Å
512R89.4Confident88.7Confident93 Ų9353.9 Ų53.935%0.35128%0.283SS..EExtended strand (participates in β ladder)trans-92.2161.616959.9-174.7-76173.9-1.4110.7R514 H515 F516R512-R514 HydrophobicContact CG-CB 4.05Å; R512-R514 PolarHBondContact O-N 2.8Å; R512-R514 VanDerWaalsContact O-N 3.1Å; R512-H515 PolarHBondContact N-ND1 3.49Å; R512-H515 WeakPolarHBondContact O-CB 3.08Å; R512-H515 PolarHBondContact O-N 3.2Å; R512-F516 WeakPolarHBondContact O-CD2 3.35Å
513F87.8Confident88.9Confident28 Ų2849.1 Ų49.112%0.12325%0.25CC..Hα-helixtrans-52.6-37178.3-180-108.3000113Y490 H515 F516 V517 P536 K538 R552 L556Y490-F513 HydrophobicContact CE2-CB 4.08Å; F513-H515 VanDerWaalsContact C-N 3.25Å; F513-H515 PolarHBondContact O-N 3.44Å; F513-F516 WeakPolarHBondContact O-CB 3.41Å; F513-F516 PolarHBondContact O-N 3.25Å; F513-V517 HydrophobicContact CD1-CG2 4.11Å; F513-V517 HydrophobicContact CE1-CG2 3.69Å; F513-V517 HydrophobicContact CZ-CG2 3.99Å; F513-V517 PolarHBondContact O-N 3.41Å; F513-P536 HydrophobicContact CE2-CB 4.47Å; F513-P536 VanDerWaalsContact CZ-O 3.29Å; F513-P536 WeakPolarHBondContact CZ-O 3.33Å; F513-K538 HydrophobicContact CE1-CB 4.28Å; F513-R552 HydrophobicContact CD2-CG 4.32Å; F513-R552 HydrophobicContact CE2-CG 4.49Å; F513-L556 HydrophobicContact CD2-CD1 4.31Å; F513-L556 HydrophobicContact CD2-CD2 4.2Å; F513-L556 HydrophobicContact CE2-CD2 4.29Å
514R83.3Confident88.7Confident76 Ų7645 Ų4529%0.28723%0.234SC..Hα-helixtrans-56.1-37.2176.2-161.617977.272.723.7112.8R512 F516 V517 E518R512-R514 HydrophobicContact CG-CB 4.05Å; R512-R514 PolarHBondContact O-N 2.8Å; R512-R514 VanDerWaalsContact O-N 3.1Å; R514-F516 VanDerWaalsContact C-N 3.33Å; R514-F516 PolarHBondContact O-N 2.89Å; R514-V517 WeakPolarHBondContact O-CB 3.41Å; R514-V517 PolarHBondContact O-N 3.47Å; R514-E518 IonicContact CZ-OE1 3.63Å; R514-E518 IonicContact NE-OE1 3.23Å; R514-E518 IonicContact NH1-OE1 3.82Å; R514-E518 PolarHBondContact NH1-OE1 3.46Å; R514-E518 IonicContact NH2-OE1 3.97Å; R514-E518 PolarHBondContact NH2-OE1 3.48Å; R514-E518 IonicContact NH2-OE2 3.99Å; R514-E518 WeakPolarHBondContact O-CG 3.49Å; R514-E518 PolarHBondContact O-N 2.97Å
515H90Very high88Confident6 Ų645.7 Ų45.73%0.02823%0.231CC..Hα-helixtrans-67.8-33.3178.1-57.9164.3000111.7R511 R512 F513 E518 L519 F582 W588R511-H515 HydrophobicContact CB-CB 4.44Å; R512-H515 PolarHBondContact N-ND1 3.49Å; R512-H515 WeakPolarHBondContact O-CB 3.08Å; R512-H515 PolarHBondContact O-N 3.2Å; F513-H515 VanDerWaalsContact C-N 3.25Å; F513-H515 PolarHBondContact O-N 3.44Å; H515-E518 IonicContact CD2-OE2 3.95Å; H515-E518 PolarHBondContact O-N 2.96Å; H515-L519 WeakPolarHBondContact O-CB 3.3Å; H515-L519 PolarHBondContact O-N 2.77Å; H515-F582 HydrophobicContact CB-CE2 3.78Å; H515-W588 AromaticContact CD2-CD1 3.95Å; H515-W588 AromaticContact CG-CD1 3.79Å
516F91.8Very high87.3Confident0 Ų045.5 Ų45.50%023%0.226CC..Hα-helixtrans-67.6-38.5173.9-68.7-94.5000112I477 Y490 I492 R511 R512 F513 R514 L519 H520 L535 L556 Y559 L560 F582I477-F516 HydrophobicContact CD1-CZ 4.14Å; Y490-F516 HydrophobicContact CD2-CE2 4.08Å; I492-F516 HydrophobicContact CD1-CE1 4.43Å; I492-F516 HydrophobicContact CD1-CZ 3.76Å; I492-F516 HydrophobicContact CG1-CZ 4.5Å; R511-F516 HydrophobicContact CB-CE2 3.97Å; R512-F516 WeakPolarHBondContact O-CD2 3.35Å; F513-F516 WeakPolarHBondContact O-CB 3.41Å; F513-F516 PolarHBondContact O-N 3.25Å; R514-F516 VanDerWaalsContact C-N 3.33Å; R514-F516 PolarHBondContact O-N 2.89Å; F516-L519 PolarHBondContact O-N 3.04Å; F516-H520 WeakPolarHBondContact O-CB 3.49Å; F516-H520 PolarHBondContact O-N 3.21Å; F516-L535 HydrophobicContact CB-CD1 3.89Å; F516-L556 HydrophobicContact CB-CD2 4.07Å; F516-L556 HydrophobicContact CD1-CD2 3.71Å; F516-L556 HydrophobicContact CD2-CD1 4.22Å; F516-L556 HydrophobicContact CD2-CD2 4.15Å; F516-L556 HydrophobicContact CE1-CB 4.37Å; F516-L556 HydrophobicContact CE1-CD2 4.1Å; F516-L556 HydrophobicContact CE2-CD1 4.03Å; F516-L556 HydrophobicContact CG-CD2 3.73Å; F516-L556 HydrophobicContact CZ-CD1 4.23Å; F516-L556 HydrophobicContact CZ-CD2 4.47Å; F516-Y559 HydrophobicContact CD1-CD1 4.16Å; F516-Y559 HydrophobicContact CD1-CE1 4.32Å; F516-L560 HydrophobicContact CE1-CD1 4.19Å; F516-L560 HydrophobicContact CE1-CD2 4.03Å; F516-L560 HydrophobicContact CE1-CG 4.05Å; F516-L560 HydrophobicContact CZ-CD1 4.49Å; F516-F582 HydrophobicContact CD1-CE1 4.27Å; F516-F582 AromaticContact CD1-CZ 3.84Å; F516-F582 HydrophobicContact CD1-CZ 3.84Å; F516-F582 HydrophobicContact CD2-CZ 4.12Å; F516-F582 AromaticContact CE1-CE1 3.95Å; F516-F582 HydrophobicContact CE1-CE1 3.95Å; F516-F582 AromaticContact CE1-CZ 3.83Å; F516-F582 HydrophobicContact CE1-CZ 3.83Å; F516-F582 HydrophobicContact CE2-CZ 4.1Å; F516-F582 HydrophobicContact CG-CZ 4.01Å; F516-F582 HydrophobicContact CZ-CE1 4.24Å; F516-F582 AromaticContact CZ-CZ 3.97Å; F516-F582 HydrophobicContact CZ-CZ 3.97Å
517V85.8Confident86.5Confident64 Ų6443.6 Ų43.639%0.38821%0.212SC..Hα-helixtrans-62.6-43.4175.1179.40000110.9F513 R514 H520 S521 L535F513-V517 HydrophobicContact CD1-CG2 4.11Å; F513-V517 HydrophobicContact CE1-CG2 3.69Å; F513-V517 HydrophobicContact CZ-CG2 3.99Å; F513-V517 PolarHBondContact O-N 3.41Å; R514-V517 WeakPolarHBondContact O-CB 3.41Å; R514-V517 PolarHBondContact O-N 3.47Å; V517-H520 PolarHBondContact O-N 2.84Å; V517-S521 PolarHBondContact O-N 3.46Å; V517-L535 HydrophobicContact CB-CD2 4.32Å; V517-L535 HydrophobicContact CG2-CD2 3.91Å
518E86.1Confident85.4Confident12 Ų1243.2 Ų43.26%0.05622%0.222CC..Hα-helixtrans-61.7-51.8175.4-71.5168.5179.600112R514 H515 H520 S521 F522 W588 R596R514-E518 IonicContact CZ-OE1 3.63Å; R514-E518 IonicContact NE-OE1 3.23Å; R514-E518 IonicContact NH1-OE1 3.82Å; R514-E518 PolarHBondContact NH1-OE1 3.46Å; R514-E518 IonicContact NH2-OE1 3.97Å; R514-E518 PolarHBondContact NH2-OE1 3.48Å; R514-E518 IonicContact NH2-OE2 3.99Å; R514-E518 WeakPolarHBondContact O-CG 3.49Å; R514-E518 PolarHBondContact O-N 2.97Å; H515-E518 IonicContact CD2-OE2 3.95Å; H515-E518 PolarHBondContact O-N 2.96Å; E518-H520 VanDerWaalsContact C-N 3.27Å; E518-H520 PolarHBondContact O-N 3.2Å; E518-S521 WeakPolarHBondContact O-CB 3.29Å; E518-S521 PolarHBondContact O-N 3.27Å; E518-S521 VanDerWaalsContact O-N 3.11Å; E518-F522 HydrophobicContact CB-CE2 4.29Å; E518-F522 VanDerWaalsContact O-CD2 3.28Å; E518-F522 WeakPolarHBondContact O-CD2 3.44Å; E518-F522 WeakPolarHBondContact O-CG 3.4Å; E518-F522 PolarHBondContact O-N 2.75Å; E518-W588 HydrophobicContact CB-CZ2 4.28Å; E518-W588 PolarHBondContact OE2-NE1 3.01Å; E518-R596 VanDerWaalsContact OE1-CG 3.32Å; E518-R596 WeakPolarHBondContact OE1-CG 3.28Å; E518-R596 IonicContact OE1-NE 3.05Å
519L90.8Very high84Confident0 Ų049.8 Ų49.80%024%0.24CC..Hα-helixtrans-54.1-47176.6173.265.4000110.8H515 F516 S521 F522 L523 Y559 L563 L578 F582 W588H515-L519 WeakPolarHBondContact O-CB 3.3Å; H515-L519 PolarHBondContact O-N 2.77Å; F516-L519 PolarHBondContact O-N 3.04Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-S521 PolarHBondContact O-N 3.06Å; L519-F522 PolarHBondContact O-N 2.63Å; L519-L523 HydrophobicContact CD1-CD1 4.04Å; L519-L523 HydrophobicContact CD1-CG 4.09Å; L519-L523 HydrophobicContact CD2-CD1 4.48Å; L519-L523 HydrophobicContact CG-CD1 3.88Å; L519-L523 HydrophobicContact CG-CG 4.35Å; L519-L523 WeakPolarHBondContact O-CB 3.32Å; L519-L523 VanDerWaalsContact O-CG 3.28Å; L519-L523 WeakPolarHBondContact O-CG 3.4Å; L519-L523 PolarHBondContact O-N 3.4Å; L519-Y559 HydrophobicContact CD2-CE1 4.1Å; L519-L563 HydrophobicContact CD2-CD2 3.82Å; L519-L578 HydrophobicContact CD1-CB 4.07Å; L519-F582 HydrophobicContact CB-CD2 4.01Å; L519-F582 HydrophobicContact CB-CE2 4.21Å; L519-F582 HydrophobicContact CD1-CB 4.15Å; L519-F582 HydrophobicContact CD1-CG 4.46Å; L519-F582 HydrophobicContact CD2-CB 4.1Å; L519-F582 HydrophobicContact CD2-CD1 3.8Å; L519-F582 HydrophobicContact CD2-CD2 3.83Å; L519-F582 HydrophobicContact CD2-CE1 4.12Å; L519-F582 HydrophobicContact CD2-CE2 4.13Å; L519-F582 HydrophobicContact CD2-CG 3.64Å; L519-F582 HydrophobicContact CD2-CZ 4.27Å; L519-F582 HydrophobicContact CG-CD2 4.35Å; L519-F582 HydrophobicContact CG-CG 4.45Å; L519-W588 HydrophobicContact CB-CH2 4.21Å; L519-W588 HydrophobicContact CB-CZ2 4.1Å; L519-W588 HydrophobicContact CD1-CH2 3.94Å; L519-W588 HydrophobicContact CD1-CZ3 4.47Å
520H89Confident83.3Confident42 Ų4250.4 Ų50.419%0.19424%0.243CC..Hα-helixtrans-59.8-44.6178.6-166.669.2000111.5F516 V517 E518 F522 L523 T524 L533 L535 Y559F516-H520 WeakPolarHBondContact O-CB 3.49Å; F516-H520 PolarHBondContact O-N 3.21Å; V517-H520 PolarHBondContact O-N 2.84Å; E518-H520 VanDerWaalsContact C-N 3.27Å; E518-H520 PolarHBondContact O-N 3.2Å; H520-F522 VanDerWaalsContact C-N 3.34Å; H520-F522 PolarHBondContact O-N 3.05Å; H520-L523 PolarHBondContact O-N 3.26Å; H520-T524 PolarHBondContact O-N 2.91Å; H520-T524 PolarHBondContact O-OG1 3.1Å; H520-L533 PolarHBondContact CE1-O 3.28Å; H520-L535 HydrophobicContact CB-CD2 3.97Å; H520-Y559 WeakPolarHBondContact CA-OH 3.3Å; H520-Y559 HydrophobicContact CB-CE2 4.45Å; H520-Y559 WeakPolarHBondContact CB-OH 3.44Å; H520-Y559 AromaticContact ND1-CE2 3.43Å; H520-Y559 WeakPolarHBondContact ND1-CE2 3.49Å; H520-Y559 AromaticContact ND1-CZ 3.85Å; H520-Y559 PolarHBondContact ND1-OH 3.45Å
521S80.2Confident82.5Confident31 Ų3151 Ų5122%0.21725%0.25CC..Hα-helixtrans-60.1-41.8175.1179.50000112.5V517 E518 L519 N525 R606V517-S521 PolarHBondContact O-N 3.46Å; E518-S521 WeakPolarHBondContact O-CB 3.29Å; E518-S521 PolarHBondContact O-N 3.27Å; E518-S521 VanDerWaalsContact O-N 3.11Å; L519-S521 VanDerWaalsContact C-N 3.34Å; L519-S521 PolarHBondContact O-N 3.06Å; S521-N525 WeakPolarHBondContact O-CB 3.5Å; S521-N525 PolarHBondContact O-N 3.48Å; S521-N525 PolarHBondContact O-ND2 3.49Å; S521-N525 PolarHBondContact O-OD1 2.83Å; S521-R606 PolarHBondContact OG-NH1 3.02Å
522F84.9Confident82Confident42 Ų4254.8 Ų54.818%0.18427%0.268CS..Hα-helixtrans-67-38.9177.7-65.3-45.8000112E518 L519 H520 N525 R526 L578 W588 H592 A595E518-F522 HydrophobicContact CB-CE2 4.29Å; E518-F522 VanDerWaalsContact O-CD2 3.28Å; E518-F522 WeakPolarHBondContact O-CD2 3.44Å; E518-F522 WeakPolarHBondContact O-CG 3.4Å; E518-F522 PolarHBondContact O-N 2.75Å; L519-F522 PolarHBondContact O-N 2.63Å; H520-F522 VanDerWaalsContact C-N 3.34Å; H520-F522 PolarHBondContact O-N 3.05Å; F522-N525 PolarHBondContact O-N 3.3Å; F522-R526 VanDerWaalsContact O-CB 3.26Å; F522-R526 WeakPolarHBondContact O-CB 3.43Å; F522-R526 PolarHBondContact O-N 3.46Å; F522-L578 HydrophobicContact CB-CD1 3.79Å; F522-L578 HydrophobicContact CB-CD2 4.19Å; F522-W588 AromaticContact CD2-CH2 3.85Å; F522-W588 HydrophobicContact CD2-CH2 3.85Å; F522-W588 AromaticContact CD2-CZ2 3.87Å; F522-W588 HydrophobicContact CD2-CZ2 3.87Å; F522-W588 HydrophobicContact CE2-CH2 4.19Å; F522-W588 AromaticContact CE2-CZ2 3.9Å; F522-W588 HydrophobicContact CE2-CZ2 3.9Å; F522-H592 AromaticContact CE2-CE1 3.75Å; F522-H592 AromaticContact CE2-ND1 3.87Å; F522-H592 AromaticContact CE2-NE2 3.96Å; F522-H592 AromaticContact CZ-CE1 3.59Å; F522-H592 AromaticContact CZ-ND1 3.52Å; F522-A595 HydrophobicContact CZ-CB 4.15Å
523L84.6Confident81.9Confident0 Ų050.6 Ų50.60%025%0.252CS..Hα-helixtrans-64.3-48.6176-70.7172.5000111.8L519 H520 N525 R526 C527 I530 L533 L563 S575 L578L519-L523 HydrophobicContact CD1-CD1 4.04Å; L519-L523 HydrophobicContact CD1-CG 4.09Å; L519-L523 HydrophobicContact CD2-CD1 4.48Å; L519-L523 HydrophobicContact CG-CD1 3.88Å; L519-L523 HydrophobicContact CG-CG 4.35Å; L519-L523 WeakPolarHBondContact O-CB 3.32Å; L519-L523 VanDerWaalsContact O-CG 3.28Å; L519-L523 WeakPolarHBondContact O-CG 3.4Å; L519-L523 PolarHBondContact O-N 3.4Å; H520-L523 PolarHBondContact O-N 3.26Å; L523-N525 VanDerWaalsContact C-N 3.32Å; L523-N525 PolarHBondContact O-N 3.34Å; L523-R526 PolarHBondContact O-N 3.47Å; L523-C527 WeakPolarHBondContact O-CB 3.22Å; L523-C527 PolarHBondContact O-N 2.9Å; L523-I530 HydrophobicContact CB-CD1 3.92Å; L523-L533 HydrophobicContact CD1-CD2 3.72Å; L523-L563 HydrophobicContact CD1-CD1 3.63Å; L523-L563 HydrophobicContact CD2-CD1 4.41Å; L523-S575 VanDerWaalsContact CD2-CB 3.42Å; L523-L578 HydrophobicContact CD2-CB 4.29Å; L523-L578 HydrophobicContact CD2-CD1 4.07Å
524T79.8Confident81.7Confident52 Ų5257.2 Ų57.232%0.31928%0.281SS..Hα-helixtrans-62.9-39.1177.7-51.10000111.8H520 G528H520-T524 PolarHBondContact O-N 2.91Å; H520-T524 PolarHBondContact O-OG1 3.1Å; T524-G528 WeakPolarHBondContact CA-O 3.34Å; T524-G528 CarbonylContact O-C 3.51Å; T524-G528 VanDerWaalsContact O-CA 3.24Å; T524-G528 WeakPolarHBondContact O-CA 3.49Å; T524-G528 PolarHBondContact O-N 3.26Å; T524-G528 VanDerWaalsContact O-O 3.08Å
525N73.3Confident81.9Confident102 Ų10255.7 Ų55.755%0.54528%0.278SS..Hα-helixtrans-65.8-40.1176.5-73.2-8000112.1S521 F522 L523 R606S521-N525 WeakPolarHBondContact O-CB 3.5Å; S521-N525 PolarHBondContact O-N 3.48Å; S521-N525 PolarHBondContact O-ND2 3.49Å; S521-N525 PolarHBondContact O-OD1 2.83Å; F522-N525 PolarHBondContact O-N 3.3Å; L523-N525 VanDerWaalsContact C-N 3.32Å; L523-N525 PolarHBondContact O-N 3.34Å; N525-R606 PolarHBondContact ND2-NH1 3.07Å
526R76.8Confident81.5Confident110 Ų11056.8 Ų56.842%0.41529%0.286SS..Hα-helixtrans-84.3-33.1-174.4-167172.1-166.1-179.914.3113.7F522 L523 G574 L578F522-R526 VanDerWaalsContact O-CB 3.26Å; F522-R526 WeakPolarHBondContact O-CB 3.43Å; F522-R526 PolarHBondContact O-N 3.46Å; L523-R526 PolarHBondContact O-N 3.47Å; R526-G574 WeakPolarHBondContact CD-O 3.4Å; R526-G574 PolarHBondContact NH1-O 3.27Å; R526-L578 HydrophobicContact CB-CD1 4.46Å
527C75.3Confident80.6Confident33 Ų3360.9 Ų60.922%0.22332%0.315CS..Hα-helixtrans-110.6-1.6-174.2-59.30000113.3L523 I530 H572L523-C527 WeakPolarHBondContact O-CB 3.22Å; L523-C527 PolarHBondContact O-N 2.9Å; C527-I530 HydrophobicContact CB-CD1 4.01Å; C527-I530 HydrophobicContact CB-CG1 4.22Å; C527-H572 HydrophobicContact CB-CB 4.41Å
528G72.6Confident79.8Confident35 Ų3566.6 Ų66.636%0.36133%0.334SS..  trans76.3-148.9-177.300000112.8T524 I530T524-G528 WeakPolarHBondContact CA-O 3.34Å; T524-G528 CarbonylContact O-C 3.51Å; T524-G528 VanDerWaalsContact O-CA 3.24Å; T524-G528 WeakPolarHBondContact O-CA 3.49Å; T524-G528 PolarHBondContact O-N 3.26Å; T524-G528 VanDerWaalsContact O-O 3.08Å; G528-I530 PolarHBondContact O-N 3.13Å
529R64.9Low78.5Confident229 Ų22969.5 Ų69.586%0.86435%0.349SS*.  trans-72.7111.8-177.3-171.5178.2-176.2173.11.3110.5T531R529-T531 HydrophobicContact CG-CG2 4.36Å
530I78.8Confident76.6Confident17 Ų1773.2 Ų73.29%0.08738%0.38CS..  trans-106.499.9178-52.1169.2000108.5L523 C527 G528 L533 F568L523-I530 HydrophobicContact CB-CD1 3.92Å; C527-I530 HydrophobicContact CB-CD1 4.01Å; C527-I530 HydrophobicContact CB-CG1 4.22Å; G528-I530 PolarHBondContact O-N 3.13Å; I530-L533 HydrophobicContact CB-CB 4.36Å; I530-L533 HydrophobicContact CD1-CD2 4.44Å; I530-L533 HydrophobicContact CG2-CB 3.41Å; I530-L533 VanDerWaalsContact CG2-CB 3.41Å; I530-L533 HydrophobicContact CG2-CD2 4.45Å; I530-F568 HydrophobicContact CD1-CZ 4.37Å; I530-F568 HydrophobicContact CG2-CE2 3.51Å; I530-F568 HydrophobicContact CG2-CZ 4.04Å
531T75.8Confident74.5Confident97 Ų9779.8 Ų79.860%0.59541%0.408SS*.SBendtrans-79.1-27.2-177.646.50000113.4R529R529-T531 HydrophobicContact CG-CG2 4.36Å
532E80.4Confident73.7Confident82 Ų8284.2 Ų84.238%0.38343%0.429SS..SBendtrans-77.2-27.4-176.1-63168.6-161.900112.6K534E532-K534 PolarHBondContact O-N 3.23Å
533L87.2Confident72.6Confident5 Ų584.2 Ų84.23%0.02643%0.431CS..  trans-94.299.5-173-170.269.2000111.3H520 L523 I530 Y559 T562 L563 F568H520-L533 PolarHBondContact CE1-O 3.28Å; L523-L533 HydrophobicContact CD1-CD2 3.72Å; I530-L533 HydrophobicContact CB-CB 4.36Å; I530-L533 HydrophobicContact CD1-CD2 4.44Å; I530-L533 HydrophobicContact CG2-CB 3.41Å; I530-L533 VanDerWaalsContact CG2-CB 3.41Å; I530-L533 HydrophobicContact CG2-CD2 4.45Å; L533-Y559 HydrophobicContact CD1-CD2 3.72Å; L533-Y559 HydrophobicContact CD1-CE1 4.45Å; L533-Y559 HydrophobicContact CD1-CE2 3.66Å; L533-Y559 HydrophobicContact CD1-CG 4.17Å; L533-Y559 HydrophobicContact CD2-CE2 3.77Å; L533-Y559 HydrophobicContact CG-CD2 3.9Å; L533-Y559 HydrophobicContact CG-CE2 3.45Å; L533-Y559 VanDerWaalsContact CG-CE2 3.45Å; L533-T562 HydrophobicContact CD1-CG2 4.09Å; L533-L563 HydrophobicContact CD1-CB 4.25Å; L533-F568 HydrophobicContact CB-CE2 3.93Å; L533-F568 HydrophobicContact CB-CZ 4.43Å; L533-F568 HydrophobicContact CD1-CE2 4.4Å; L533-F568 HydrophobicContact CD2-CE2 4.29Å; L533-F568 HydrophobicContact CD2-CZ 3.95Å; L533-F568 HydrophobicContact CG-CE2 4.44Å
534K84.5Confident72Confident167 Ų16787.6 Ų87.673%0.72645%0.448SS*.  trans-100.1113-177.5-64.9-179.3-179.4178.30111.9E532E532-K534 PolarHBondContact O-N 3.23Å
535L88.2Confident71.7Confident44 Ų4486.2 Ų86.223%0.2344%0.44CS..PPolyproline II helixtrans-84.5132.5173-171.672000110.7F516 V517 H520 L556 Y559F516-L535 HydrophobicContact CB-CD1 3.89Å; V517-L535 HydrophobicContact CB-CD2 4.32Å; V517-L535 HydrophobicContact CG2-CD2 3.91Å; H520-L535 HydrophobicContact CB-CD2 3.97Å; L535-L556 HydrophobicContact CD1-CD2 4.2Å; L535-Y559 HydrophobicContact CB-CD2 4.23Å; L535-Y559 HydrophobicContact CB-CE2 4.06Å; L535-Y559 HydrophobicContact CD1-CD2 3.91Å; L535-Y559 HydrophobicContact CD1-CE2 3.79Å; L535-Y559 HydrophobicContact CD1-CG 4.39Å
536P81.1Confident71.9Confident28 Ų2886 Ų8618%0.18245%0.445CS..PPolyproline II helixtrans-57.4143.8173.2-2535.4000112.4F513 L556F513-P536 HydrophobicContact CE2-CB 4.47Å; F513-P536 VanDerWaalsContact CZ-O 3.29Å; F513-P536 WeakPolarHBondContact CZ-O 3.33Å; P536-L556 HydrophobicContact CG-CD2 4.08Å; P536-L556 HydrophobicContact CG-CG 4.26Å
537S73.4Confident71.9Confident87 Ų8787.7 Ų87.761%0.60846%0.457SS*.PPolyproline II helixtrans-71153.4-175.158.40000114R552S537-R552 PolarHBondContact O-NH2 2.98Å
538K68Low72.1Confident184 Ų18487.3 Ų87.380%0.845%0.452SS*.PPolyproline II helixtrans-83.6119170.3-172.8-176178.4-1720108.3F513F513-K538 HydrophobicContact CE1-CB 4.28Å
539I59.1Low72.7Confident73 Ų7386.3 Ų86.337%0.37444%0.438SS..PPolyproline II helixtrans-103.5150.3171.1-52-172.8000107.3F541 N543 F548I539-F541 WeakPolarHBondContact CG2-O 3.38Å; I539-N543 VanDerWaalsContact O-CG 3.23Å; I539-N543 PolarHBondContact O-ND2 2.88Å; I539-N543 PolarHBondContact O-OD1 3.36Å; I539-F548 HydrophobicContact CB-CZ 4.11Å; I539-F548 HydrophobicContact CD1-CD2 4.29Å; I539-F548 HydrophobicContact CD1-CE2 3.41Å; I539-F548 VanDerWaalsContact CD1-CE2 3.41Å; I539-F548 HydrophobicContact CD1-CZ 3.82Å; I539-F548 HydrophobicContact CG1-CE2 4.06Å; I539-F548 HydrophobicContact CG1-CZ 3.96Å
540A51.3Low73.7Confident77 Ų7777.1 Ų77.164%0.63641%0.411SS*.SBendtrans-94.9-26.6-179.800000113.2N543A540-N543 PolarHBondContact O-ND2 3.22Å
541F45.2Very low74.1Confident180 Ų18082 Ų8279%0.78943%0.433SS*.SBendtrans-118.5146.3-173.5-57.1-76.6000111.7I539 N543I539-F541 WeakPolarHBondContact CG2-O 3.38Å; F541-N543 VanDerWaalsContact C-N 3.26Å; F541-N543 PolarHBondContact O-N 3.04Å
542N62.3Low74.7Confident124 Ų12478.2 Ų78.266%0.66341%0.408SS*.SBendtrans56.730.5179.4-16017000116M544 S545N542-M544 PolarHBondContact O-N 2.92Å; N542-M544 VanDerWaalsContact O-N 3.09Å; N542-S545 PolarHBondContact O-N 3.34Å; N542-S545 PolarHBondContact O-OG 3.44Å; N542-S545 VanDerWaalsContact O-OG 3.11Å; N542-S545 WeakPolarHBondContact OD1-CB 3.36Å
543N61.9Low75.2Confident42 Ų4277.6 Ų77.623%0.22540%0.403CS..THydrogen-bonded Turntrans-65.9-9.2-178.3-77.5-47.2000115.6I539 A540 F541 F548 L549I539-N543 VanDerWaalsContact O-CG 3.23Å; I539-N543 PolarHBondContact O-ND2 2.88Å; I539-N543 PolarHBondContact O-OD1 3.36Å; A540-N543 PolarHBondContact O-ND2 3.22Å; F541-N543 VanDerWaalsContact C-N 3.26Å; F541-N543 PolarHBondContact O-N 3.04Å; N543-F548 HydrophobicContact CB-CE1 4.16Å; N543-F548 WeakPolarHBondContact O-CD1 3.3Å; N543-F548 VanDerWaalsContact OD1-CE1 3.28Å; N543-F548 WeakPolarHBondContact OD1-CE1 3.3Å; N543-L549 WeakPolarHBondContact O-CD2 3.08Å
544M71.7Confident75.4Confident71 Ų7184.8 Ų84.835%0.3543%0.429SS..THydrogen-bonded Turntrans-107.4-1.6-174.9-54.9-59.4-95.300112.6I482 S486 V488 N542I482-M544 HydrophobicContact CB-CE 4.28Å; I482-M544 HydrophobicContact CD1-CE 4.22Å; I482-M544 HydrophobicContact CG1-CE 3.95Å; I482-M544 HydrophobicContact CG2-CE 3.44Å; I482-M544 VanDerWaalsContact CG2-CE 3.44Å; S486-M544 WeakPolarHBondContact O-CE 2.98Å; V488-M544 HydrophobicContact CG2-CE 4.14Å; V488-M544 HydrophobicContact CG2-SD 3.82Å; N542-M544 PolarHBondContact O-N 2.92Å; N542-M544 VanDerWaalsContact O-N 3.09Å
545S74Confident75.8Confident23 Ų2378 Ų7816%0.16141%0.406CS..  trans-61.2137.6177.853.20000111.2N542 E547 F548 L549N542-S545 PolarHBondContact O-N 3.34Å; N542-S545 PolarHBondContact O-OG 3.44Å; N542-S545 VanDerWaalsContact O-OG 3.11Å; N542-S545 WeakPolarHBondContact OD1-CB 3.36Å; S545-E547 VanDerWaalsContact C-N 3.31Å; S545-E547 PolarHBondContact O-N 3.13Å; S545-F548 PolarHBondContact O-N 3.38Å; S545-F548 VanDerWaalsContact O-N 3.12Å; S545-F548 WeakPolarHBondContact OG-CB 3.26Å; S545-L549 WeakPolarHBondContact O-CG 3.2Å; S545-L549 PolarHBondContact O-N 2.71Å
546P77.1Confident76.2Confident99 Ų9975.9 Ų75.964%0.64340%0.395SS*.Hα-helixtrans-54.6-43.9179.2-26.534.7000113.1F548 L549 A550P546-F548 PolarHBondContact O-N 2.6Å; P546-L549 PolarHBondContact O-N 2.86Å; P546-A550 WeakPolarHBondContact O-CB 3.44Å; P546-A550 PolarHBondContact O-N 2.97Å
547E78.1Confident76.8Confident145 Ų14576.4 Ų76.468%0.67840%0.396SS*.Hα-helixtrans-56.2-46.8175.2-87.159.8-13700112.4S545 A550 Q551S545-E547 VanDerWaalsContact C-N 3.31Å; S545-E547 PolarHBondContact O-N 3.13Å; E547-A550 PolarHBondContact O-N 2.96Å; E547-Q551 WeakPolarHBondContact O-CB 3.48Å; E547-Q551 PolarHBondContact O-N 3.38Å
548F79.3Confident77.8Confident25 Ų2576.5 Ų76.511%0.1139%0.393CS..Hα-helixtrans-69-40.6-179.7178.5-112000112.1I539 N543 S545 P546 A550 Q551 R552I539-F548 HydrophobicContact CB-CZ 4.11Å; I539-F548 HydrophobicContact CD1-CD2 4.29Å; I539-F548 HydrophobicContact CD1-CE2 3.41Å; I539-F548 VanDerWaalsContact CD1-CE2 3.41Å; I539-F548 HydrophobicContact CD1-CZ 3.82Å; I539-F548 HydrophobicContact CG1-CE2 4.06Å; I539-F548 HydrophobicContact CG1-CZ 3.96Å; N543-F548 HydrophobicContact CB-CE1 4.16Å; N543-F548 WeakPolarHBondContact O-CD1 3.3Å; N543-F548 VanDerWaalsContact OD1-CE1 3.28Å; N543-F548 WeakPolarHBondContact OD1-CE1 3.3Å; S545-F548 PolarHBondContact O-N 3.38Å; S545-F548 VanDerWaalsContact O-N 3.12Å; S545-F548 WeakPolarHBondContact OG-CB 3.26Å; P546-F548 PolarHBondContact O-N 2.6Å; F548-A550 VanDerWaalsContact C-N 3.28Å; F548-A550 PolarHBondContact O-N 2.83Å; F548-Q551 PolarHBondContact O-N 3.34Å; F548-R552 VanDerWaalsContact CE1-NH2 3.34Å; F548-R552 WeakPolarHBondContact O-CB 3.12Å; F548-R552 PolarHBondContact O-N 2.92Å
549L85Confident79.1Confident13 Ų1367.8 Ų67.87%0.06836%0.355CS..Hα-helixtrans-63.6-36.6174.5-64.9-175.7000111.5I482 V488 N543 S545 P546 R553I482-L549 HydrophobicContact CD1-CD1 4Å; I482-L549 HydrophobicContact CG1-CD1 4.04Å; V488-L549 HydrophobicContact CB-CD2 4.5Å; V488-L549 HydrophobicContact CG1-CD2 4.24Å; V488-L549 HydrophobicContact CG2-CD1 4.18Å; V488-L549 HydrophobicContact CG2-CD2 3.8Å; N543-L549 WeakPolarHBondContact O-CD2 3.08Å; S545-L549 WeakPolarHBondContact O-CG 3.2Å; S545-L549 PolarHBondContact O-N 2.71Å; P546-L549 PolarHBondContact O-N 2.86Å; L549-R553 WeakPolarHBondContact O-CB 3.49Å; L549-R553 PolarHBondContact O-N 3.33Å
550A85.6Confident80.9Confident36 Ų3664.3 Ų64.330%0.29834%0.337SS..Hα-helixtrans-66.1-42.2172.800000111.9P546 E547 F548 R554P546-A550 WeakPolarHBondContact O-CB 3.44Å; P546-A550 PolarHBondContact O-N 2.97Å; E547-A550 PolarHBondContact O-N 2.96Å; F548-A550 VanDerWaalsContact C-N 3.28Å; F548-A550 PolarHBondContact O-N 2.83Å; A550-R554 WeakPolarHBondContact O-CG 3.17Å; A550-R554 PolarHBondContact O-N 3.06Å
551Q86.7Confident82.9Confident119 Ų11965.3 Ų65.356%0.55633%0.332SS*.Hα-helixtrans-65-48.3175.9-176.8179.18.900112.4E547 F548 R553 R554 G555E547-Q551 WeakPolarHBondContact O-CB 3.48Å; E547-Q551 PolarHBondContact O-N 3.38Å; F548-Q551 PolarHBondContact O-N 3.34Å; Q551-R553 VanDerWaalsContact C-N 3.33Å; Q551-R553 PolarHBondContact O-N 3.08Å; Q551-R554 WeakPolarHBondContact O-CB 3.37Å; Q551-R554 PolarHBondContact O-N 3.17Å; Q551-G555 PolarHBondContact O-N 3.22Å
552R88.3Confident85.3Confident19 Ų1958.4 Ų58.47%0.07231%0.305CS..Hα-helixtrans-62.5-40.9177.3-177.7176.2-82.3160.8-8.2111Y490 F513 S537 F548 R554 G555 L556Y490-R552 WeakPolarHBondContact OH-CD 3.35Å; F513-R552 HydrophobicContact CD2-CG 4.32Å; F513-R552 HydrophobicContact CE2-CG 4.49Å; S537-R552 PolarHBondContact O-NH2 2.98Å; F548-R552 VanDerWaalsContact CE1-NH2 3.34Å; F548-R552 WeakPolarHBondContact O-CB 3.12Å; F548-R552 PolarHBondContact O-N 2.92Å; R552-R554 PolarHBondContact O-N 3.14Å; R552-G555 PolarHBondContact O-N 3.43Å; R552-L556 HydrophobicContact CG-CD1 4.09Å; R552-L556 HydrophobicContact CG-CG 4.28Å; R552-L556 WeakPolarHBondContact O-CB 3.44Å; R552-L556 VanDerWaalsContact O-CG 3.3Å; R552-L556 WeakPolarHBondContact O-CG 3.37Å; R552-L556 PolarHBondContact O-N 3.29Å
553R91Very high86.7Confident69 Ų6952.5 Ų52.526%0.2627%0.273SS..Hα-helixtrans-58.5-44.9173.5-170.4-172.5-48-163.16111.9I477 T478 A480 L549 Q551 L556 N557I477-R553 HydrophobicContact CB-CG 4.13Å; I477-R553 HydrophobicContact CG2-CG 3.68Å; T478-R553 PolarHBondContact O-NH1 3.35Å; A480-R553 VanDerWaalsContact CB-NH2 3.29Å; A480-R553 VanDerWaalsContact N-CZ 3.35Å; L549-R553 WeakPolarHBondContact O-CB 3.49Å; L549-R553 PolarHBondContact O-N 3.33Å; Q551-R553 VanDerWaalsContact C-N 3.33Å; Q551-R553 PolarHBondContact O-N 3.08Å; R553-L556 PolarHBondContact O-N 3.45Å; R553-N557 PolarHBondContact O-N 3.2Å
554R92.3Very high88.2Confident156 Ų15651.5 Ų51.559%0.58927%0.269SS*.Hα-helixtrans-59-47.1173.8-78-177.3-110.5111.4-0.9111.5A550 Q551 R552 L556 N557 V558A550-R554 WeakPolarHBondContact O-CG 3.17Å; A550-R554 PolarHBondContact O-N 3.06Å; Q551-R554 WeakPolarHBondContact O-CB 3.37Å; Q551-R554 PolarHBondContact O-N 3.17Å; R552-R554 PolarHBondContact O-N 3.14Å; R554-L556 PolarHBondContact O-N 3.35Å; R554-N557 PolarHBondContact O-N 2.94Å; R554-V558 WeakPolarHBondContact O-CG2 3.46Å; R554-V558 PolarHBondContact O-N 2.96Å
555G92.3Very high89.1Confident23 Ų2349.9 Ų49.924%0.23727%0.265CS..Hα-helixtrans-62.9-39.7178.100000113.6Q551 R552 V558 Y559Q551-G555 PolarHBondContact O-N 3.22Å; R552-G555 PolarHBondContact O-N 3.43Å; G555-V558 PolarHBondContact O-N 2.64Å; G555-Y559 PolarHBondContact O-N 3.28Å
556L95.6Very high89.7Confident0 Ų052.9 Ų52.90%029%0.286CS..Hα-helixtrans-70.8-32176-67.3175.4000112.6I477 Y490 F513 F516 L535 P536 R552 R553 R554 Y559 L560I477-L556 HydrophobicContact CD1-CB 3.34Å; I477-L556 HydrophobicContact CD1-CD1 4.15Å; I477-L556 HydrophobicContact CD1-CG 4.41Å; Y490-L556 HydrophobicContact CD1-CD1 4.23Å; Y490-L556 HydrophobicContact CD2-CD1 4.05Å; Y490-L556 HydrophobicContact CE1-CD1 3.91Å; Y490-L556 HydrophobicContact CE2-CD1 3.75Å; Y490-L556 HydrophobicContact CG-CD1 4.3Å; F513-L556 HydrophobicContact CD2-CD1 4.31Å; F513-L556 HydrophobicContact CD2-CD2 4.2Å; F513-L556 HydrophobicContact CE2-CD2 4.29Å; F516-L556 HydrophobicContact CB-CD2 4.07Å; F516-L556 HydrophobicContact CD1-CD2 3.71Å; F516-L556 HydrophobicContact CD2-CD1 4.22Å; F516-L556 HydrophobicContact CD2-CD2 4.15Å; F516-L556 HydrophobicContact CE1-CB 4.37Å; F516-L556 HydrophobicContact CE1-CD2 4.1Å; F516-L556 HydrophobicContact CE2-CD1 4.03Å; F516-L556 HydrophobicContact CG-CD2 3.73Å; F516-L556 HydrophobicContact CZ-CD1 4.23Å; F516-L556 HydrophobicContact CZ-CD2 4.47Å; L535-L556 HydrophobicContact CD1-CD2 4.2Å; P536-L556 HydrophobicContact CG-CD2 4.08Å; P536-L556 HydrophobicContact CG-CG 4.26Å; R552-L556 HydrophobicContact CG-CD1 4.09Å; R552-L556 HydrophobicContact CG-CG 4.28Å; R552-L556 WeakPolarHBondContact O-CB 3.44Å; R552-L556 VanDerWaalsContact O-CG 3.3Å; R552-L556 WeakPolarHBondContact O-CG 3.37Å; R552-L556 PolarHBondContact O-N 3.29Å; R553-L556 PolarHBondContact O-N 3.45Å; R554-L556 PolarHBondContact O-N 3.35Å; L556-Y559 WeakPolarHBondContact O-CB 3.46Å; L556-Y559 PolarHBondContact O-N 3.01Å; L556-L560 WeakPolarHBondContact O-CG 3.32Å; L556-L560 PolarHBondContact O-N 3.47Å
557N94.9Very high90.2Very high39 Ų3954.4 Ų54.421%0.20928%0.284CS..Hα-helixtrans-66.1-42.1171.6-89.6-25.5000111.9I477 R553 R554 Y559 L560 N561I477-N557 WeakPolarHBondContact CB-OD1 3.34Å; I477-N557 PolarHBondContact N-OD1 3.48Å; I477-N557 PolarHBondContact O-ND2 2.91Å; R553-N557 PolarHBondContact O-N 3.2Å; R554-N557 PolarHBondContact O-N 2.94Å; N557-Y559 VanDerWaalsContact C-N 3.31Å; N557-Y559 PolarHBondContact O-N 3.34Å; N557-L560 PolarHBondContact O-N 2.88Å; N557-N561 WeakPolarHBondContact O-CB 3.5Å; N557-N561 PolarHBondContact O-N 3.44Å; N557-N561 PolarHBondContact O-ND2 3Å
558V94Very high90.7Very high89 Ų8947.5 Ų47.554%0.53925%0.252SS..Hα-helixtrans-59.9-45.5172.5174.70000110.2R554 G555 L560 N561 T562R554-V558 WeakPolarHBondContact O-CG2 3.46Å; R554-V558 PolarHBondContact O-N 2.96Å; G555-V558 PolarHBondContact O-N 2.64Å; V558-L560 PolarHBondContact O-N 3.22Å; V558-N561 PolarHBondContact O-N 3.03Å; V558-T562 PolarHBondContact O-N 3.26Å; V558-T562 PolarHBondContact O-OG1 2.89Å; V558-T562 VanDerWaalsContact O-OG1 3.13Å
559Y96Very high91.1Very high1 Ų146.8 Ų46.80%0.00425%0.249CC..Hα-helixtrans-55.6-48.2175.7-178.3-86.4000112.8F516 L519 H520 L533 L535 G555 L556 N557 L563F516-Y559 HydrophobicContact CD1-CD1 4.16Å; F516-Y559 HydrophobicContact CD1-CE1 4.32Å; L519-Y559 HydrophobicContact CD2-CE1 4.1Å; H520-Y559 WeakPolarHBondContact CA-OH 3.3Å; H520-Y559 HydrophobicContact CB-CE2 4.45Å; H520-Y559 WeakPolarHBondContact CB-OH 3.44Å; H520-Y559 AromaticContact ND1-CE2 3.43Å; H520-Y559 WeakPolarHBondContact ND1-CE2 3.49Å; H520-Y559 AromaticContact ND1-CZ 3.85Å; H520-Y559 PolarHBondContact ND1-OH 3.45Å; L533-Y559 HydrophobicContact CD1-CD2 3.72Å; L533-Y559 HydrophobicContact CD1-CE1 4.45Å; L533-Y559 HydrophobicContact CD1-CE2 3.66Å; L533-Y559 HydrophobicContact CD1-CG 4.17Å; L533-Y559 HydrophobicContact CD2-CE2 3.77Å; L533-Y559 HydrophobicContact CG-CD2 3.9Å; L533-Y559 HydrophobicContact CG-CE2 3.45Å; L533-Y559 VanDerWaalsContact CG-CE2 3.45Å; L535-Y559 HydrophobicContact CB-CD2 4.23Å; L535-Y559 HydrophobicContact CB-CE2 4.06Å; L535-Y559 HydrophobicContact CD1-CD2 3.91Å; L535-Y559 HydrophobicContact CD1-CE2 3.79Å; L535-Y559 HydrophobicContact CD1-CG 4.39Å; G555-Y559 PolarHBondContact O-N 3.28Å; L556-Y559 WeakPolarHBondContact O-CB 3.46Å; L556-Y559 PolarHBondContact O-N 3.01Å; N557-Y559 VanDerWaalsContact C-N 3.31Å; N557-Y559 PolarHBondContact O-N 3.34Å; Y559-L563 HydrophobicContact CE1-CD2 4.25Å; Y559-L563 VanDerWaalsContact O-CB 3.29Å; Y559-L563 WeakPolarHBondContact O-CB 3.33Å; Y559-L563 PolarHBondContact O-N 2.91Å
560L96.2Very high91Very high0 Ų050.6 Ų50.60%027%0.27CS..Hα-helixtrans-66.5-39.9178.3-73.1174000112.6A475 I477 I492 F516 L556 N557 V558 L563 C564 F582 L583A475-L560 HydrophobicContact CB-CB 4.35Å; A475-L560 HydrophobicContact CB-CD1 4.29Å; A475-L560 HydrophobicContact CB-CD2 4.4Å; I477-L560 HydrophobicContact CD1-CD1 4.12Å; I477-L560 HydrophobicContact CG1-CD1 3.86Å; I492-L560 HydrophobicContact CD1-CD1 4.27Å; I492-L560 HydrophobicContact CG1-CD1 4.45Å; I492-L560 HydrophobicContact CG2-CD1 3.95Å; F516-L560 HydrophobicContact CE1-CD1 4.19Å; F516-L560 HydrophobicContact CE1-CD2 4.03Å; F516-L560 HydrophobicContact CE1-CG 4.05Å; F516-L560 HydrophobicContact CZ-CD1 4.49Å; L556-L560 WeakPolarHBondContact O-CG 3.32Å; L556-L560 PolarHBondContact O-N 3.47Å; N557-L560 PolarHBondContact O-N 2.88Å; V558-L560 PolarHBondContact O-N 3.22Å; L560-L563 PolarHBondContact O-N 3.13Å; L560-C564 WeakPolarHBondContact O-CB 3.38Å; L560-C564 PolarHBondContact O-N 3.45Å; L560-C564 PolarHBondContact O-SG 2.97Å; L560-F582 HydrophobicContact CD2-CE1 4.28Å; L560-L583 HydrophobicContact CD2-CD2 4.37Å
561N94.3Very high91Very high98 Ų9852.9 Ų52.952%0.52428%0.277SS..Hα-helixtrans-63.2-44.6177-74.3-18.8000111.5N557 V558 C564 S565N557-N561 WeakPolarHBondContact O-CB 3.5Å; N557-N561 PolarHBondContact O-N 3.44Å; N557-N561 PolarHBondContact O-ND2 3Å; V558-N561 PolarHBondContact O-N 3.03Å; N561-C564 PolarHBondContact O-N 3.32Å; N561-S565 WeakPolarHBondContact O-CB 3.48Å; N561-S565 PolarHBondContact O-N 3.19Å
562T94Very high91Very high35 Ų3548.8 Ų48.822%0.21526%0.258CS..Hα-helixtrans-61.3-49.6173.8-58.30000110.2L533 V558 C564 S565 F568L533-T562 HydrophobicContact CD1-CG2 4.09Å; V558-T562 PolarHBondContact O-N 3.26Å; V558-T562 PolarHBondContact O-OG1 2.89Å; V558-T562 VanDerWaalsContact O-OG1 3.13Å; T562-C564 VanDerWaalsContact C-N 3.28Å; T562-C564 PolarHBondContact O-N 3.33Å; T562-S565 WeakPolarHBondContact O-CB 3.36Å; T562-S565 PolarHBondContact O-N 3.02Å; T562-S565 VanDerWaalsContact O-N 3.1Å; T562-S565 PolarHBondContact O-OG 3.43Å; T562-F568 HydrophobicContact CG2-CD2 4.03Å; T562-F568 WeakPolarHBondContact O-CB 3.25Å; T562-F568 WeakPolarHBondContact O-CG 3.41Å
563L93Very high90.8Very high0 Ų051.7 Ų51.70%028%0.279CS..Hα-helixtrans-58.4-37.3-179.8-177.264000113L519 L523 L533 Y559 L560 F568 Q569 C579L519-L563 HydrophobicContact CD2-CD2 3.82Å; L523-L563 HydrophobicContact CD1-CD1 3.63Å; L523-L563 HydrophobicContact CD2-CD1 4.41Å; L533-L563 HydrophobicContact CD1-CB 4.25Å; Y559-L563 HydrophobicContact CE1-CD2 4.25Å; Y559-L563 VanDerWaalsContact O-CB 3.29Å; Y559-L563 WeakPolarHBondContact O-CB 3.33Å; Y559-L563 PolarHBondContact O-N 2.91Å; L560-L563 PolarHBondContact O-N 3.13Å; L563-F568 HydrophobicContact CD1-CD1 4.11Å; L563-F568 HydrophobicContact CD1-CE1 3.52Å; L563-F568 HydrophobicContact CD1-CZ 4.16Å; L563-F568 WeakPolarHBondContact O-CD1 3.34Å; L563-Q569 PolarHBondContact O-NE2 2.76Å; L563-C579 HydrophobicContact CD1-CB 4.48Å; L563-C579 HydrophobicContact CD2-CB 4.37Å; L563-C579 HydrophobicContact CG-CB 4.34Å
564C93Very high90.4Very high21 Ų2149.8 Ų49.814%0.14228%0.281CS..Hα-helixtrans-89.6-6-179.9-61.70000113.8Y473 L560 N561 T562Y473-C564 WeakPolarHBondContact O-CB 3.33Å; L560-C564 WeakPolarHBondContact O-CB 3.38Å; L560-C564 PolarHBondContact O-N 3.45Å; L560-C564 PolarHBondContact O-SG 2.97Å; N561-C564 PolarHBondContact O-N 3.32Å; T562-C564 VanDerWaalsContact C-N 3.28Å; T562-C564 PolarHBondContact O-N 3.33Å
565S90.5Very high90.2Very high38 Ų3842.4 Ų42.427%0.26625%0.253SS..SBendtrans-65.2144.8-178.771.30000111.2N561 T562 E567 F568 Q569N561-S565 WeakPolarHBondContact O-CB 3.48Å; N561-S565 PolarHBondContact O-N 3.19Å; T562-S565 WeakPolarHBondContact O-CB 3.36Å; T562-S565 PolarHBondContact O-N 3.02Å; T562-S565 VanDerWaalsContact O-N 3.1Å; T562-S565 PolarHBondContact O-OG 3.43Å; S565-E567 PolarHBondContact O-N 2.95Å; S565-F568 PolarHBondContact O-N 2.99Å; S565-F568 WeakPolarHBondContact OG-CB 3.4Å; S565-F568 PolarHBondContact OG-N 3Å; S565-F568 VanDerWaalsContact OG-N 3.15Å; S565-Q569 WeakPolarHBondContact O-CG 3.45Å; S565-Q569 PolarHBondContact O-N 3.45Å
566S86.4Confident90Very high86 Ų8642.7 Ų42.760%0.60125%0.247SC*.Hα-helixtrans-60.9-36.4177.1-177.10000111.4N570S566-N570 VanDerWaalsContact O-CB 3.28Å; S566-N570 WeakPolarHBondContact O-CB 3.46Å; S566-N570 PolarHBondContact O-N 3.47Å; S566-N570 PolarHBondContact O-ND2 3.38Å; S566-N570 PolarHBondContact OG-ND2 3.23Å
567E86.7Confident89.5Confident130 Ų13045.2 Ų45.261%0.60726%0.264SS*.Hα-helixtrans-59.4-51.8175.8-174.1173.3-168.900111.8S565 Q569 N570 N571S565-E567 PolarHBondContact O-N 2.95Å; E567-Q569 PolarHBondContact O-N 2.93Å; E567-N570 PolarHBondContact O-N 3.04Å; E567-N571 WeakPolarHBondContact O-CB 3.41Å; E567-N571 VanDerWaalsContact O-CG 3.24Å; E567-N571 PolarHBondContact O-N 3.29Å
568F89.4Confident89.2Confident0 Ų044.2 Ų44.20%026%0.258CS..Hα-helixtrans-62.9-43.8179-174-89.5000112.9I530 L533 T562 L563 S565 N570 N571 H572I530-F568 HydrophobicContact CD1-CZ 4.37Å; I530-F568 HydrophobicContact CG2-CE2 3.51Å; I530-F568 HydrophobicContact CG2-CZ 4.04Å; L533-F568 HydrophobicContact CB-CE2 3.93Å; L533-F568 HydrophobicContact CB-CZ 4.43Å; L533-F568 HydrophobicContact CD1-CE2 4.4Å; L533-F568 HydrophobicContact CD2-CE2 4.29Å; L533-F568 HydrophobicContact CD2-CZ 3.95Å; L533-F568 HydrophobicContact CG-CE2 4.44Å; T562-F568 HydrophobicContact CG2-CD2 4.03Å; T562-F568 WeakPolarHBondContact O-CB 3.25Å; T562-F568 WeakPolarHBondContact O-CG 3.41Å; L563-F568 HydrophobicContact CD1-CD1 4.11Å; L563-F568 HydrophobicContact CD1-CE1 3.52Å; L563-F568 HydrophobicContact CD1-CZ 4.16Å; L563-F568 WeakPolarHBondContact O-CD1 3.34Å; S565-F568 PolarHBondContact O-N 2.99Å; S565-F568 WeakPolarHBondContact OG-CB 3.4Å; S565-F568 PolarHBondContact OG-N 3Å; S565-F568 VanDerWaalsContact OG-N 3.15Å; F568-N570 VanDerWaalsContact C-N 3.29Å; F568-N570 PolarHBondContact O-N 3.3Å; F568-N571 PolarHBondContact O-N 3.17Å; F568-H572 AromaticContact CD2-CD2 3.82Å; F568-H572 HydrophobicContact CE1-CB 4.3Å; F568-H572 AromaticContact CE2-CD2 3.53Å; F568-H572 HydrophobicContact CZ-CB 4.42Å; F568-H572 AromaticContact CZ-CD2 3.79Å; F568-H572 PolarHBondContact O-N 3.32Å
569Q87Confident89.1Confident11 Ų1140.2 Ų40.25%0.05123%0.234CC..Hα-helixtrans-66-33179.5-70.4-68.6-40.100112.1L563 S565 E567 H572 P573 R576L563-Q569 PolarHBondContact O-NE2 2.76Å; S565-Q569 WeakPolarHBondContact O-CG 3.45Å; S565-Q569 PolarHBondContact O-N 3.45Å; E567-Q569 PolarHBondContact O-N 2.93Å; Q569-H572 CarbonylContact O-C 3.6Å; Q569-P573 WeakPolarHBondContact O-CA 3.2Å; Q569-R576 VanDerWaalsContact OE1-CB 3.28Å
570N84.5Confident88.8Confident92 Ų9241.9 Ų41.949%0.49224%0.243SC..Hα-helixtrans-73.5-40174.6-68.3-23.1000111.8S566 E567 F568S566-N570 VanDerWaalsContact O-CB 3.28Å; S566-N570 WeakPolarHBondContact O-CB 3.46Å; S566-N570 PolarHBondContact O-N 3.47Å; S566-N570 PolarHBondContact O-ND2 3.38Å; S566-N570 PolarHBondContact OG-ND2 3.23Å; E567-N570 PolarHBondContact O-N 3.04Å; F568-N570 VanDerWaalsContact C-N 3.29Å; F568-N570 PolarHBondContact O-N 3.3Å
571N85.4Confident88.5Confident85 Ų8544.6 Ų44.646%0.45526%0.255SS..Hα-helixtrans-71.8-31.3178.6-69.4-11.2000112.1E567 F568E567-N571 WeakPolarHBondContact O-CB 3.41Å; E567-N571 VanDerWaalsContact O-CG 3.24Å; E567-N571 PolarHBondContact O-N 3.29Å; F568-N571 PolarHBondContact O-N 3.17Å
572H87.1Confident88.4Confident33 Ų3340 Ų4015%0.15323%0.23CC..  trans-131.469.7-175.9-57.3-62.3000112C527 F568 Q569 G574 S575C527-H572 HydrophobicContact CB-CB 4.41Å; F568-H572 AromaticContact CD2-CD2 3.82Å; F568-H572 HydrophobicContact CE1-CB 4.3Å; F568-H572 AromaticContact CE2-CD2 3.53Å; F568-H572 HydrophobicContact CZ-CB 4.42Å; F568-H572 AromaticContact CZ-CD2 3.79Å; F568-H572 PolarHBondContact O-N 3.32Å; Q569-H572 CarbonylContact O-C 3.6Å; H572-G574 PolarHBondContact O-N 3.26Å; H572-G574 VanDerWaalsContact O-N 3.13Å; H572-S575 VanDerWaalsContact O-CB 3.26Å; H572-S575 WeakPolarHBondContact O-CB 3.45Å; H572-S575 PolarHBondContact O-N 2.79Å; H572-S575 PolarHBondContact O-OG 3.33Å
573P83.6Confident88.4Confident80 Ų8038.3 Ų38.352%0.51922%0.22SC..G310 helixtrans-61.1-27.1-177.623.6-33.8000113.3Q569 S575 R576Q569-P573 WeakPolarHBondContact O-CA 3.2Å; P573-S575 PolarHBondContact O-N 3.39Å; P573-R576 PolarHBondContact O-N 2.99Å
574G82.7Confident88.2Confident29 Ų2942.3 Ų42.330%0.29924%0.239SC..G310 helixtrans-66.3-15.6174.600000114.8R526 H572R526-G574 WeakPolarHBondContact CD-O 3.4Å; R526-G574 PolarHBondContact NH1-O 3.27Å; H572-G574 PolarHBondContact O-N 3.26Å; H572-G574 VanDerWaalsContact O-N 3.13Å
575S87.4Confident87.8Confident0 Ų044.3 Ų44.30%025%0.252CS..G310 helixtrans-75.2-26.2177.970.10000113.1L523 H572 P573 L578 C579L523-S575 VanDerWaalsContact CD2-CB 3.42Å; H572-S575 VanDerWaalsContact O-CB 3.26Å; H572-S575 WeakPolarHBondContact O-CB 3.45Å; H572-S575 PolarHBondContact O-N 2.79Å; H572-S575 PolarHBondContact O-OG 3.33Å; P573-S575 PolarHBondContact O-N 3.39Å; S575-L578 PolarHBondContact O-N 2.97Å; S575-C579 PolarHBondContact O-N 3.45Å
576R87.6Confident86.8Confident30 Ų3047.2 Ų47.211%0.11326%0.264CS..Hα-helixtrans-57.3-48.2-169.7-171.6178.1-175.280.5-2114D471 Q569 P573 L578 C579 I580D471-R576 PolarHBondContact O-NH2 3.09Å; D471-R576 IonicContact OD1-CZ 3.56Å; D471-R576 IonicContact OD1-NH2 3.99Å; D471-R576 PolarHBondContact OD1-NH2 3.13Å; Q569-R576 VanDerWaalsContact OE1-CB 3.28Å; P573-R576 PolarHBondContact O-N 2.99Å; R576-L578 VanDerWaalsContact C-N 3.32Å; R576-L578 PolarHBondContact O-N 3.46Å; R576-C579 WeakPolarHBondContact O-CB 3.41Å; R576-C579 PolarHBondContact O-N 3.06Å; R576-I580 HydrophobicContact CG-CD1 3.8Å; R576-I580 HydrophobicContact CG-CG1 4.31Å; R576-I580 WeakPolarHBondContact O-CG1 3.22Å; R576-I580 PolarHBondContact O-N 3.39Å
577P86.9Confident86Confident53 Ų5344.6 Ų44.634%0.34425%0.246SC..Hα-helixtrans-61.2-41.1-178.9-22.734.9000112.5I580 E581P577-I580 PolarHBondContact O-N 2.9Å; P577-E581 WeakPolarHBondContact O-CB 3.24Å; P577-E581 PolarHBondContact O-N 2.84Å
578L88.4Confident85.4Confident18 Ų1838.4 Ų38.49%0.09422%0.217CC..Hα-helixtrans-67.4-38.3177.8-67.9170.2000111.6L519 F522 L523 R526 S575 R576 F582L519-L578 HydrophobicContact CD1-CB 4.07Å; F522-L578 HydrophobicContact CB-CD1 3.79Å; F522-L578 HydrophobicContact CB-CD2 4.19Å; L523-L578 HydrophobicContact CD2-CB 4.29Å; L523-L578 HydrophobicContact CD2-CD1 4.07Å; R526-L578 HydrophobicContact CB-CD1 4.46Å; S575-L578 PolarHBondContact O-N 2.97Å; R576-L578 VanDerWaalsContact C-N 3.32Å; R576-L578 PolarHBondContact O-N 3.46Å; L578-F582 VanDerWaalsContact O-CB 3.26Å; L578-F582 WeakPolarHBondContact O-CB 3.42Å; L578-F582 PolarHBondContact O-N 3.5Å
579C91Very high84.2Confident5 Ų543.5 Ų43.53%0.03424%0.241CC..Hα-helixtrans-62.4-50175-175.40000111L563 S575 R576 E581 F582 L583L563-C579 HydrophobicContact CD1-CB 4.48Å; L563-C579 HydrophobicContact CD2-CB 4.37Å; L563-C579 HydrophobicContact CG-CB 4.34Å; S575-C579 PolarHBondContact O-N 3.45Å; R576-C579 WeakPolarHBondContact O-CB 3.41Å; R576-C579 PolarHBondContact O-N 3.06Å; C579-E581 PolarHBondContact O-N 3.06Å; C579-F582 PolarHBondContact O-N 3.01Å; C579-L583 WeakPolarHBondContact O-CB 3.33Å; C579-L583 VanDerWaalsContact O-CG 3.22Å; C579-L583 WeakPolarHBondContact O-CG 3.48Å; C579-L583 PolarHBondContact O-N 3.49Å
580I89.9Confident82.6Confident36 Ų3652 Ų5219%0.18527%0.272CS..Hα-helixtrans-61.6-46.5179.7-67172.7000110.6Y473 R576 P577 F582 L583 Q584Y473-I580 HydrophobicContact CD2-CG1 4.49Å; Y473-I580 HydrophobicContact CE2-CD1 4.08Å; Y473-I580 HydrophobicContact CE2-CG1 3.99Å; R576-I580 HydrophobicContact CG-CD1 3.8Å; R576-I580 HydrophobicContact CG-CG1 4.31Å; R576-I580 WeakPolarHBondContact O-CG1 3.22Å; R576-I580 PolarHBondContact O-N 3.39Å; P577-I580 PolarHBondContact O-N 2.9Å; I580-F582 VanDerWaalsContact C-N 3.35Å; I580-F582 PolarHBondContact O-N 3.03Å; I580-L583 PolarHBondContact O-N 3.03Å; I580-L583 VanDerWaalsContact O-N 3.16Å; I580-Q584 HydrophobicContact CG2-CG 4.42Å; I580-Q584 WeakPolarHBondContact O-CG 3.35Å; I580-Q584 PolarHBondContact O-N 3.09Å
581E88.8Confident80.9Confident57 Ų5750 Ų5027%0.26627%0.274SS..Hα-helixtrans-60.4-43.4177.9-172-179.4-178.500112P577 C579 L583 Q584 W588P577-E581 WeakPolarHBondContact O-CB 3.24Å; P577-E581 PolarHBondContact O-N 2.84Å; C579-E581 PolarHBondContact O-N 3.06Å; E581-L583 VanDerWaalsContact C-N 3.29Å; E581-L583 PolarHBondContact O-N 3.46Å; E581-Q584 PolarHBondContact O-N 3.16Å; E581-W588 HydrophobicContact CB-CZ3 4.37Å; E581-W588 HydrophobicContact CG-CE3 4.11Å; E581-W588 HydrophobicContact CG-CZ3 4.27Å
582F93.5Very high79.2Confident0 Ų047.7 Ų47.70%026%0.26CS..Hα-helixtrans-63.7-35176.2-177.4-95.6000112.6I492 R511 H515 F516 L519 L560 L578 C579 I580 W588I492-F582 HydrophobicContact CD1-CE1 3.8Å; I492-F582 HydrophobicContact CD1-CZ 4.34Å; R511-F582 HydrophobicContact CB-CE2 4.49Å; R511-F582 HydrophobicContact CB-CZ 3.99Å; R511-F582 HydrophobicContact CG-CE1 4.04Å; R511-F582 HydrophobicContact CG-CE2 4.01Å; R511-F582 HydrophobicContact CG-CZ 3.65Å; R511-F582 PolarHBondContact NE-O 3.09Å; R511-F582 PolarHBondContact NH2-O 3.39Å; H515-F582 HydrophobicContact CB-CE2 3.78Å; F516-F582 HydrophobicContact CD1-CE1 4.27Å; F516-F582 AromaticContact CD1-CZ 3.84Å; F516-F582 HydrophobicContact CD1-CZ 3.84Å; F516-F582 HydrophobicContact CD2-CZ 4.12Å; F516-F582 AromaticContact CE1-CE1 3.95Å; F516-F582 HydrophobicContact CE1-CE1 3.95Å; F516-F582 AromaticContact CE1-CZ 3.83Å; F516-F582 HydrophobicContact CE1-CZ 3.83Å; F516-F582 HydrophobicContact CE2-CZ 4.1Å; F516-F582 HydrophobicContact CG-CZ 4.01Å; F516-F582 HydrophobicContact CZ-CE1 4.24Å; F516-F582 AromaticContact CZ-CZ 3.97Å; F516-F582 HydrophobicContact CZ-CZ 3.97Å; L519-F582 HydrophobicContact CB-CD2 4.01Å; L519-F582 HydrophobicContact CB-CE2 4.21Å; L519-F582 HydrophobicContact CD1-CB 4.15Å; L519-F582 HydrophobicContact CD1-CG 4.46Å; L519-F582 HydrophobicContact CD2-CB 4.1Å; L519-F582 HydrophobicContact CD2-CD1 3.8Å; L519-F582 HydrophobicContact CD2-CD2 3.83Å; L519-F582 HydrophobicContact CD2-CE1 4.12Å; L519-F582 HydrophobicContact CD2-CE2 4.13Å; L519-F582 HydrophobicContact CD2-CG 3.64Å; L519-F582 HydrophobicContact CD2-CZ 4.27Å; L519-F582 HydrophobicContact CG-CD2 4.35Å; L519-F582 HydrophobicContact CG-CG 4.45Å; L560-F582 HydrophobicContact CD2-CE1 4.28Å; L578-F582 VanDerWaalsContact O-CB 3.26Å; L578-F582 WeakPolarHBondContact O-CB 3.42Å; L578-F582 PolarHBondContact O-N 3.5Å; C579-F582 PolarHBondContact O-N 3.01Å; I580-F582 VanDerWaalsContact C-N 3.35Å; I580-F582 PolarHBondContact O-N 3.03Å; F582-W588 VanDerWaalsContact CA-CE3 3.5Å; F582-W588 HydrophobicContact CB-CD2 4.5Å; F582-W588 HydrophobicContact CB-CE3 3.83Å; F582-W588 HydrophobicContact CB-CH2 4.45Å; F582-W588 HydrophobicContact CB-CZ3 3.8Å; F582-W588 AromaticContact CD2-CD2 3.82Å; F582-W588 HydrophobicContact CD2-CD2 3.82Å; F582-W588 AromaticContact CD2-CE2 3.94Å; F582-W588 HydrophobicContact CD2-CE3 4Å; F582-W588 HydrophobicContact CD2-CG 4.31Å; F582-W588 HydrophobicContact CD2-CH2 4.34Å; F582-W588 HydrophobicContact CD2-CZ2 4.2Å; F582-W588 HydrophobicContact CD2-CZ3 4.26Å; F582-W588 HydrophobicContact CG-CE3 4.42Å
583L93.3Very high77Confident0 Ų049.9 Ų49.90%028%0.276CS..Hα-helixtrans-84-18.1-178.1-66.7177.8000113.8Y473 A475 I492 V494 W507 T509 L560 C579 I580 E581Y473-L583 HydrophobicContact CD1-CD1 4.34Å; A475-L583 HydrophobicContact CB-CD1 4.3Å; A475-L583 HydrophobicContact CB-CD2 3.63Å; I492-L583 HydrophobicContact CG2-CD2 4.37Å; V494-L583 HydrophobicContact CG1-CB 4.15Å; V494-L583 HydrophobicContact CG1-CD1 4.34Å; V494-L583 HydrophobicContact CG2-CB 4.11Å; V494-L583 HydrophobicContact CG2-CD2 3.93Å; W507-L583 PolarHBondContact NE1-O 3.15Å; T509-L583 WeakPolarHBondContact CG2-O 3.45Å; L560-L583 HydrophobicContact CD2-CD2 4.37Å; C579-L583 WeakPolarHBondContact O-CB 3.33Å; C579-L583 VanDerWaalsContact O-CG 3.22Å; C579-L583 WeakPolarHBondContact O-CG 3.48Å; C579-L583 PolarHBondContact O-N 3.49Å; I580-L583 PolarHBondContact O-N 3.03Å; I580-L583 VanDerWaalsContact O-N 3.16Å; E581-L583 VanDerWaalsContact C-N 3.29Å; E581-L583 PolarHBondContact O-N 3.46Å
584Q89.1Confident74.8Confident85 Ų8553.7 Ų53.740%0.39729%0.286SS..SBendtrans-69.4149.2178.2-83.2-174.6-9.800113.2T509 R511 I580 E581T509-Q584 PolarHBondContact OG1-O 3.41Å; T509-Q584 VanDerWaalsContact OG1-O 3.09Å; R511-Q584 PolarHBondContact NH2-O 3.28Å; I580-Q584 HydrophobicContact CG2-CG 4.42Å; I580-Q584 WeakPolarHBondContact O-CG 3.35Å; I580-Q584 PolarHBondContact O-N 3.09Å; E581-Q584 PolarHBondContact O-N 3.16Å
585P84.5Confident72.7Confident63 Ų6353.7 Ų53.741%0.40928%0.284SS..THydrogen-bonded Turntrans-59.7136.2170.5-18.431.6000110.9W507 S587W507-P585 HydrophobicContact CB-CG 4.5Å; W507-P585 HydrophobicContact CG-CG 4.04Å; P585-S587 PolarHBondContact O-N 3.29Å
586D69.7Low70.5Confident98 Ų9855.9 Ų55.952%0.52429%0.292SS..THydrogen-bonded Turntrans52.19.7170.7-48.5-32.2000118.1R590D586-R590 VanDerWaalsContact O-CZ 3.29Å; D586-R590 PolarHBondContact O-NE 3.01Å; D586-R590 PolarHBondContact O-NH2 3.32Å
587S69.5Low68.2Low31 Ų3159.9 Ų59.922%0.21732%0.315CS..Hα-helixtrans-77.6-43.6-177.4-167.50000112P585 E589P585-S587 PolarHBondContact O-N 3.29Å; S587-E589 VanDerWaalsContact C-N 3.33Å; S587-E589 PolarHBondContact O-N 3.42Å
588W74Confident65.5Low0 Ų060.2 Ų60.20%032%0.316CS..Hα-helixtrans-70-24.6-172.4-158.2-95.4000114.7H515 E518 L519 F522 E581 F582 R596H515-W588 AromaticContact CD2-CD1 3.95Å; H515-W588 AromaticContact CG-CD1 3.79Å; E518-W588 HydrophobicContact CB-CZ2 4.28Å; E518-W588 PolarHBondContact OE2-NE1 3.01Å; L519-W588 HydrophobicContact CB-CH2 4.21Å; L519-W588 HydrophobicContact CB-CZ2 4.1Å; L519-W588 HydrophobicContact CD1-CH2 3.94Å; L519-W588 HydrophobicContact CD1-CZ3 4.47Å; F522-W588 AromaticContact CD2-CH2 3.85Å; F522-W588 HydrophobicContact CD2-CH2 3.85Å; F522-W588 AromaticContact CD2-CZ2 3.87Å; F522-W588 HydrophobicContact CD2-CZ2 3.87Å; F522-W588 HydrophobicContact CE2-CH2 4.19Å; F522-W588 AromaticContact CE2-CZ2 3.9Å; F522-W588 HydrophobicContact CE2-CZ2 3.9Å; E581-W588 HydrophobicContact CB-CZ3 4.37Å; E581-W588 HydrophobicContact CG-CE3 4.11Å; E581-W588 HydrophobicContact CG-CZ3 4.27Å; F582-W588 VanDerWaalsContact CA-CE3 3.5Å; F582-W588 HydrophobicContact CB-CD2 4.5Å; F582-W588 HydrophobicContact CB-CE3 3.83Å; F582-W588 HydrophobicContact CB-CH2 4.45Å; F582-W588 HydrophobicContact CB-CZ3 3.8Å; F582-W588 AromaticContact CD2-CD2 3.82Å; F582-W588 HydrophobicContact CD2-CD2 3.82Å; F582-W588 AromaticContact CD2-CE2 3.94Å; F582-W588 HydrophobicContact CD2-CE3 4Å; F582-W588 HydrophobicContact CD2-CG 4.31Å; F582-W588 HydrophobicContact CD2-CH2 4.34Å; F582-W588 HydrophobicContact CD2-CZ2 4.2Å; F582-W588 HydrophobicContact CD2-CZ3 4.26Å; F582-W588 HydrophobicContact CG-CE3 4.42Å; W588-R596 PolarHBondContact O-NH2 3.46Å
589E64.3Low62.8Low107 Ų10760.6 Ų60.650%0.532%0.32SS..Hα-helixtrans-76-34.2-175.2-67-159.2160.700113S587 R596S587-E589 VanDerWaalsContact C-N 3.33Å; S587-E589 PolarHBondContact O-N 3.42Å; E589-R596 VanDerWaalsContact C-NH2 3.33Å; E589-R596 VanDerWaalsContact CA-NH2 3.3Å; E589-R596 PolarHBondContact O-NH1 2.98Å; E589-R596 PolarHBondContact O-NH2 3.05Å
590R52.7Low60.1Low189 Ų18963.8 Ų63.871%0.71335%0.346SS*.Hα-helixtrans-87.1-33.2-172.8-67.2-176.3-74.2-119.1-1.2114.2D586D586-R590 VanDerWaalsContact O-CZ 3.29Å; D586-R590 PolarHBondContact O-NE 3.01Å; D586-R590 PolarHBondContact O-NH2 3.32Å
591G49.2Very low57.3Low51 Ų5166 Ų6653%0.52636%0.358SS..Hα-helixtrans-83.8-16.4-168.900000117.1
592H49.6Very low54.7Low36 Ų3664.3 Ų64.317%0.16735%0.351CS..  trans-126.213.7-165.8-81.4-69.2000115.8F522 E594 A595 R596F522-H592 AromaticContact CE2-CE1 3.75Å; F522-H592 AromaticContact CE2-ND1 3.87Å; F522-H592 AromaticContact CE2-NE2 3.96Å; F522-H592 AromaticContact CZ-CE1 3.59Å; F522-H592 AromaticContact CZ-ND1 3.52Å; H592-E594 VanDerWaalsContact C-N 3.27Å; H592-E594 PolarHBondContact O-N 2.99Å; H592-A595 HydrophobicContact CB-CB 4.26Å; H592-A595 WeakPolarHBondContact ND1-CB 3.45Å; H592-A595 PolarHBondContact O-N 3.49Å; H592-R596 WeakPolarHBondContact O-CG 3.37Å; H592-R596 PolarHBondContact O-N 2.86Å
593V41.2Very low52Low80 Ų8068.7 Ų68.749%0.48538%0.378SS..Hα-helixtrans-55.4-40.7178.2-178.20000112.3R596V593-R596 WeakPolarHBondContact O-CB 3.33Å; V593-R596 PolarHBondContact O-N 3.47Å
594E36.9Very low49.4Very low159 Ų15971.6 Ų71.674%0.74340%0.396SS*.Hα-helixtrans-67.3-41174.4-76175.9148.300112.9H592 R596 V598H592-E594 VanDerWaalsContact C-N 3.27Å; H592-E594 PolarHBondContact O-N 2.99Å; E594-R596 PolarHBondContact O-N 3.26Å; E594-V598 WeakPolarHBondContact O-CG2 3.17Å; E594-V598 PolarHBondContact O-N 3.27Å
595A39.2Very low46.5Very low30 Ų3069.9 Ų69.925%0.24839%0.388CS..Hα-helixtrans-66.9-22.6177.300000113F522 H592 S599F522-A595 HydrophobicContact CZ-CB 4.15Å; H592-A595 HydrophobicContact CB-CB 4.26Å; H592-A595 WeakPolarHBondContact ND1-CB 3.45Å; H592-A595 PolarHBondContact O-N 3.49Å; A595-S599 WeakPolarHBondContact O-CB 3.4Å; A595-S599 PolarHBondContact O-N 3.04Å
596R42.1Very low44.3Very low45 Ų4569.2 Ų69.217%0.1738%0.377CS..Hα-helixtrans-70.2-45.6180-73.5170.1-165.7158.718.3112.8E518 W588 E589 H592 V593 E594 V598 S599 A600E518-R596 VanDerWaalsContact OE1-CG 3.32Å; E518-R596 WeakPolarHBondContact OE1-CG 3.28Å; E518-R596 IonicContact OE1-NE 3.05Å; W588-R596 PolarHBondContact O-NH2 3.46Å; E589-R596 VanDerWaalsContact C-NH2 3.33Å; E589-R596 VanDerWaalsContact CA-NH2 3.3Å; E589-R596 PolarHBondContact O-NH1 2.98Å; E589-R596 PolarHBondContact O-NH2 3.05Å; H592-R596 WeakPolarHBondContact O-CG 3.37Å; H592-R596 PolarHBondContact O-N 2.86Å; V593-R596 WeakPolarHBondContact O-CB 3.33Å; V593-R596 PolarHBondContact O-N 3.47Å; E594-R596 PolarHBondContact O-N 3.26Å; R596-V598 VanDerWaalsContact C-N 3.25Å; R596-V598 PolarHBondContact O-N 2.93Å; R596-S599 PolarHBondContact O-N 3.38Å; R596-S599 PolarHBondContact O-OG 2.98Å; R596-A600 PolarHBondContact O-N 3.49Å
597I37.3Very low42.9Very low114 Ų11465.1 Ų65.159%0.58536%0.356SS*.Hα-helixtrans-61-43.3175.8-63.2173.9000109I601I597-I601 HydrophobicContact CG2-CD1 4.02Å; I597-I601 WeakPolarHBondContact O-CG1 3.39Å; I597-I601 PolarHBondContact O-N 3.38Å
598V30.6Very low41.2Very low60 Ų6064.1 Ų64.136%0.36435%0.348SS..Hα-helixtrans-64.8-44.3179.1174.90000112E594 R596 L602E594-V598 WeakPolarHBondContact O-CG2 3.17Å; E594-V598 PolarHBondContact O-N 3.27Å; R596-V598 VanDerWaalsContact C-N 3.25Å; R596-V598 PolarHBondContact O-N 2.93Å; V598-L602 HydrophobicContact CB-CD1 4.47Å; V598-L602 HydrophobicContact CG1-CD1 3.31Å; V598-L602 HydrophobicContact CG1-CG 4.27Å; V598-L602 WeakPolarHBondContact O-CB 3.43Å; V598-L602 VanDerWaalsContact O-CD1 3.3Å; V598-L602 WeakPolarHBondContact O-CD1 3.38Å; V598-L602 WeakPolarHBondContact O-CG 3.46Å; V598-L602 PolarHBondContact O-N 3.41Å
599S33Very low39.4Very low26 Ų2666.1 Ų66.118%0.18236%0.362CS..Hα-helixtrans-72.8-35.1-176.281.10000115A595 R596 L602 T603A595-S599 WeakPolarHBondContact O-CB 3.4Å; A595-S599 PolarHBondContact O-N 3.04Å; R596-S599 PolarHBondContact O-N 3.38Å; R596-S599 PolarHBondContact O-OG 2.98Å; S599-L602 PolarHBondContact O-N 2.93Å; S599-T603 PolarHBondContact O-N 2.89Å; S599-T603 VanDerWaalsContact O-N 3.09Å; S599-T603 PolarHBondContact O-OG1 2.81Å
600A33.8Very low37.9Very low72 Ų7265.5 Ų65.560%0.59536%0.362SS*.Hα-helixtrans-73.8-33.9-176.600000112.2R596R596-A600 PolarHBondContact O-N 3.49Å
601I31.6Very low37.4Very low82 Ų8256.7 Ų56.742%0.42133%0.33SS..Hα-helixtrans-77.8-36.8173.5-63.8172000110.3I597I597-I601 HydrophobicContact CG2-CD1 4.02Å; I597-I601 WeakPolarHBondContact O-CG1 3.39Å; I597-I601 PolarHBondContact O-N 3.38Å
602L33.2Very low36.7Very low23 Ų2355.7 Ų55.712%0.1231%0.312CS..Hα-helixtrans-85.1-16.4-173-67.1175.8000114.9V598 S599 F605 R606V598-L602 HydrophobicContact CB-CD1 4.47Å; V598-L602 HydrophobicContact CG1-CD1 3.31Å; V598-L602 HydrophobicContact CG1-CG 4.27Å; V598-L602 WeakPolarHBondContact O-CB 3.43Å; V598-L602 VanDerWaalsContact O-CD1 3.3Å; V598-L602 WeakPolarHBondContact O-CD1 3.38Å; V598-L602 WeakPolarHBondContact O-CG 3.46Å; V598-L602 PolarHBondContact O-N 3.41Å; S599-L602 PolarHBondContact O-N 2.93Å; L602-F605 CarbonylContact O-C 3.59Å; L602-F605 WeakPolarHBondContact O-CA 3.34Å; L602-F605 PolarHBondContact O-N 3.29Å; L602-R606 HydrophobicContact CB-CG 3.57Å; L602-R606 HydrophobicContact CD1-CG 4.45Å; L602-R606 WeakPolarHBondContact O-CA 3.28Å; L602-R606 WeakPolarHBondContact O-CB 3.49Å; L602-R606 VanDerWaalsContact O-CG 3.26Å; L602-R606 WeakPolarHBondContact O-CG 3.42Å; L602-R606 PolarHBondContact O-N 3.43Å
603T37.4Very low36.2Very low92 Ų9257.3 Ų57.356%0.56432%0.32SS*.THydrogen-bonded Turntrans-59.5-37.2-170-6.70000115.2S599S599-T603 PolarHBondContact O-N 2.89Å; S599-T603 VanDerWaalsContact O-N 3.09Å; S599-T603 PolarHBondContact O-OG1 2.81Å
604P37.7Very low36.1Very low61 Ų6156.2 Ų56.240%0.39632%0.316SS..THydrogen-bonded Turntrans-73.4-29.7169.3-15.230000113.3
605F29.6Very low36Very low48 Ų4849.3 Ų49.321%0.21129%0.285CS..THydrogen-bonded Turntrans-104-5.1-170.6-69.8-77000115.2L602 T607 V608 S609L602-F605 CarbonylContact O-C 3.59Å; L602-F605 WeakPolarHBondContact O-CA 3.34Å; L602-F605 PolarHBondContact O-N 3.29Å; F605-T607 PolarHBondContact O-N 3.27Å; F605-V608 HydrophobicContact CD1-CG2 3.98Å; F605-V608 CarbonylContact O-C 3.58Å; F605-V608 WeakPolarHBondContact O-CA 3.4Å; F605-V608 WeakPolarHBondContact O-CB 3.46Å; F605-V608 PolarHBondContact O-N 3.46Å; F605-S609 PolarHBondContact O-N 2.91Å
606R38.6Very low35.6Very low49 Ų4950.8 Ų50.819%0.18529%0.292CS..Hα-helixtrans-62.6-26.2173.2-82.6-157.2-179.2160-0.8110.1S521 N525 L602 S609 N610S521-R606 PolarHBondContact OG-NH1 3.02Å; N525-R606 PolarHBondContact ND2-NH1 3.07Å; L602-R606 HydrophobicContact CB-CG 3.57Å; L602-R606 HydrophobicContact CD1-CG 4.45Å; L602-R606 WeakPolarHBondContact O-CA 3.28Å; L602-R606 WeakPolarHBondContact O-CB 3.49Å; L602-R606 VanDerWaalsContact O-CG 3.26Å; L602-R606 WeakPolarHBondContact O-CG 3.42Å; L602-R606 PolarHBondContact O-N 3.43Å; R606-S609 PolarHBondContact O-N 3.33Å; R606-N610 WeakPolarHBondContact O-CA 3.5Å; R606-N610 WeakPolarHBondContact O-CB 3.47Å; R606-N610 PolarHBondContact O-N 3.48Å; R606-N610 PolarHBondContact O-ND2 2.95Å; R606-N610 PolarHBondContact O-OD1 3.44Å
607T39.8Very low35Very low13 Ų1354.7 Ų54.78%0.0832%0.316CS..Hα-helixtrans-67.8-38.1173.4-52.70000111.5F52 L56 Q72 L76 F605 A611F52-T607 HydrophobicContact CD1-CG2 4.02Å; F52-T607 HydrophobicContact CE1-CG2 3.09Å; F52-T607 HydrophobicContact CZ-CG2 3.57Å; L56-T607 HydrophobicContact CD1-CG2 4.17Å; Q72-T607 HydrophobicContact CB-CG2 4.24Å; Q72-T607 HydrophobicContact CG-CG2 4.16Å; Q72-T607 PolarHBondContact NE2-OG1 2.98Å; L76-T607 HydrophobicContact CD1-CG2 4.4Å; F605-T607 PolarHBondContact O-N 3.27Å; T607-A611 WeakPolarHBondContact O-CB 3.32Å; T607-A611 PolarHBondContact O-N 3.01Å
608V33.6Very low35Very low9 Ų954.8 Ų54.86%0.05532%0.322CS..Hα-helixtrans-71-42.2172.1-169.50000110.9F29 L76 V79 F605 A611 M612F29-V608 HydrophobicContact CD1-CG1 4.23Å; F29-V608 HydrophobicContact CE1-CG1 3.73Å; L76-V608 HydrophobicContact CD2-CB 4.34Å; L76-V608 HydrophobicContact CD2-CG1 4.48Å; L76-V608 HydrophobicContact CD2-CG2 3.75Å; L76-V608 HydrophobicContact CG-CG2 4.28Å; V79-V608 HydrophobicContact CG2-CG1 4.26Å; F605-V608 HydrophobicContact CD1-CG2 3.98Å; F605-V608 CarbonylContact O-C 3.58Å; F605-V608 WeakPolarHBondContact O-CA 3.4Å; F605-V608 WeakPolarHBondContact O-CB 3.46Å; F605-V608 PolarHBondContact O-N 3.46Å; V608-A611 WeakPolarHBondContact O-CB 3.47Å; V608-A611 PolarHBondContact O-N 3.41Å; V608-M612 PolarHBondContact O-N 3.32Å
609S35.9Very low35Very low42 Ų4253.8 Ų53.829%0.29431%0.314SS..Hα-helixtrans-62.6-44.5174.8-176.50000111.3F605 R606 A611 M612 M613F605-S609 PolarHBondContact O-N 2.91Å; R606-S609 PolarHBondContact O-N 3.33Å; S609-A611 VanDerWaalsContact C-N 3.34Å; S609-A611 PolarHBondContact O-N 2.94Å; S609-M612 CarbonylContact O-C 3.6Å; S609-M612 PolarHBondContact O-N 3.01Å; S609-M612 VanDerWaalsContact O-N 3.1Å; S609-M613 VanDerWaalsContact O-CB 3.26Å; S609-M613 WeakPolarHBondContact O-CB 3.27Å; S609-M613 WeakPolarHBondContact O-CG 3.4Å; S609-M613 PolarHBondContact O-N 3.44Å
610N33.6Very low35.1Very low95 Ų9553.6 Ų53.651%0.50831%0.314SS..Hα-helixtrans-65.2-35.9175.4-71.2-11.2000111.9R606 M612 M613 S614R606-N610 WeakPolarHBondContact O-CA 3.5Å; R606-N610 WeakPolarHBondContact O-CB 3.47Å; R606-N610 PolarHBondContact O-N 3.48Å; R606-N610 PolarHBondContact O-ND2 2.95Å; R606-N610 PolarHBondContact O-OD1 3.44Å; N610-M612 PolarHBondContact O-N 3.11Å; N610-M613 PolarHBondContact O-N 2.9Å; N610-S614 PolarHBondContact O-N 3.25Å
611A40.7Very low35Very low4 Ų454.3 Ų54.33%0.03331%0.308CS..Hα-helixtrans-64.7-29.5173.200000112.5Q48 F52 T607 V608 S609 S614Q48-A611 WeakPolarHBondContact CG-O 3.32Å; Q48-A611 PolarHBondContact NE2-O 3.18Å; F52-A611 HydrophobicContact CB-CB 4.15Å; F52-A611 HydrophobicContact CD2-CB 3.72Å; F52-A611 HydrophobicContact CE2-CB 4.29Å; F52-A611 HydrophobicContact CG-CB 3.84Å; T607-A611 WeakPolarHBondContact O-CB 3.32Å; T607-A611 PolarHBondContact O-N 3.01Å; V608-A611 WeakPolarHBondContact O-CB 3.47Å; V608-A611 PolarHBondContact O-N 3.41Å; S609-A611 VanDerWaalsContact C-N 3.34Å; S609-A611 PolarHBondContact O-N 2.94Å; A611-S614 PolarHBondContact O-OG 3.06Å; A611-S614 VanDerWaalsContact O-OG 3.13Å
612M36.4Very low34.9Very low30 Ų3051.7 Ų51.715%0.14830%0.302CS..Hα-helixtrans-87.3-33174.1-155-164.5-179.100112.9F29 V608 S609 N610 S614 V615 R773 V776 L777F29-M612 HydrophobicContact CD2-CE 4.49Å; F29-M612 HydrophobicContact CD2-SD 3.85Å; F29-M612 HydrophobicContact CE2-CE 3.9Å; F29-M612 HydrophobicContact CE2-CG 4.37Å; F29-M612 HydrophobicContact CE2-SD 3.4Å; F29-M612 WeakPolarHBondContact CE2-SD 3.2Å; F29-M612 HydrophobicContact CZ-SD 4.26Å; V608-M612 PolarHBondContact O-N 3.32Å; S609-M612 CarbonylContact O-C 3.6Å; S609-M612 PolarHBondContact O-N 3.01Å; S609-M612 VanDerWaalsContact O-N 3.1Å; N610-M612 PolarHBondContact O-N 3.11Å; M612-S614 PolarHBondContact O-N 2.91Å; M612-V615 WeakPolarHBondContact O-CG2 3.25Å; M612-R773 WeakPolarHBondContact CE-O 3.38Å; M612-V776 HydrophobicContact CE-CB 3.69Å; M612-V776 HydrophobicContact CE-CG1 3.72Å; M612-L777 HydrophobicContact CE-CB 3.72Å; M612-L777 VanDerWaalsContact CE-N 3.34Å
613M39Very low34.7Very low69 Ų6951.8 Ų51.834%0.3430%0.302SS..Hα-helixtrans-74.9-4.6179-72.5-65-134.300113.4S609 N610 V615 L623S609-M613 VanDerWaalsContact O-CB 3.26Å; S609-M613 WeakPolarHBondContact O-CB 3.27Å; S609-M613 WeakPolarHBondContact O-CG 3.4Å; S609-M613 PolarHBondContact O-N 3.44Å; N610-M613 PolarHBondContact O-N 2.9Å; M613-V615 PolarHBondContact O-N 3.37Å; M613-L623 HydrophobicContact SD-CD1 4.38Å
614S37.7Very low34.4Very low57 Ų5752.2 Ų52.240%0.39930%0.301SS..  trans-71.753.5160.869.20000110.8Q48 N610 A611 M612 R773Q48-S614 PolarHBondContact NE2-OG 3.48Å; N610-S614 PolarHBondContact O-N 3.25Å; A611-S614 PolarHBondContact O-OG 3.06Å; A611-S614 VanDerWaalsContact O-OG 3.13Å; M612-S614 PolarHBondContact O-N 2.91Å; S614-R773 PolarHBondContact O-NH1 3.35Å
615V34.8Very low34.2Very low14 Ų1456 Ų569%0.08531%0.311CS..  trans-77.6133.3162.3176.80000104.8M612 M613 L619 M770M612-V615 WeakPolarHBondContact O-CG2 3.25Å; M613-V615 PolarHBondContact O-N 3.37Å; V615-L619 HydrophobicContact CG1-CB 3.37Å; V615-L619 HydrophobicContact CG1-CD1 3.42Å; V615-L619 VanDerWaalsContact CG1-CD1 3.42Å; V615-L619 HydrophobicContact CG1-CG 4.06Å; V615-M770 HydrophobicContact CB-CE 3.77Å; V615-M770 HydrophobicContact CG1-CE 3.17Å; V615-M770 HydrophobicContact CG2-CE 3.93Å
616P30.5Very low34.5Very low61 Ų6156.6 Ų56.640%0.39632%0.316SS..  trans-51.2151.6-176.5-2833.7000113.3T618 L619 A620 M770P616-T618 PolarHBondContact O-N 2.89Å; P616-L619 PolarHBondContact O-N 3.44Å; P616-A620 PolarHBondContact O-N 2.81Å; P616-M770 WeakPolarHBondContact CD-SD 3.38Å; P616-M770 HydrophobicContact CG-CG 4.32Å; P616-M770 HydrophobicContact CG-SD 3.89Å
617D31.3Very low34.1Very low128 Ų12859.5 Ų59.568%0.68433%0.33SS*.Hα-helixtrans-44.4-29.9-166.8-55.2-35.9000115L619 D621D617-L619 PolarHBondContact O-N 3.38Å; D617-D621 WeakPolarHBondContact O-CA 3.41Å; D617-D621 WeakPolarHBondContact O-CB 3.43Å; D617-D621 PolarHBondContact O-N 3.35Å
618T37.4Very low33.6Very low115 Ų11561.4 Ų61.471%0.70635%0.347SS*.Hα-helixtrans-66.3-30179.856.10000114.9P616 G622P616-T618 PolarHBondContact O-N 2.89Å; T618-G622 PolarHBondContact O-N 3.13Å
619L29Very low33.1Very low39 Ų3966.4 Ų66.420%0.20437%0.374CS..Hα-helixtrans-99.7-33.8176.2-80.2169.9000111.8R13 V615 P616 D617 D621 G622 L623 M770R13-L619 HydrophobicContact CG-CD1 4.4Å; V615-L619 HydrophobicContact CG1-CB 3.37Å; V615-L619 HydrophobicContact CG1-CD1 3.42Å; V615-L619 VanDerWaalsContact CG1-CD1 3.42Å; V615-L619 HydrophobicContact CG1-CG 4.06Å; P616-L619 PolarHBondContact O-N 3.44Å; D617-L619 PolarHBondContact O-N 3.38Å; L619-D621 VanDerWaalsContact C-N 3.28Å; L619-G622 PolarHBondContact O-N 3.4Å; L619-L623 WeakPolarHBondContact O-CB 3.48Å; L619-L623 WeakPolarHBondContact O-CG 3.14Å; L619-L623 PolarHBondContact O-N 3.02Å; L619-M770 HydrophobicContact CD1-CE 4.42Å
620A35Very low32.6Very low22 Ų2272.9 Ų72.918%0.18240%0.397CS..Hα-helixtrans-62.8-37.8170.700000110.5P616 N624P616-A620 PolarHBondContact O-N 2.81Å; A620-N624 WeakPolarHBondContact O-CA 3.26Å; A620-N624 WeakPolarHBondContact O-CB 3.42Å; A620-N624 PolarHBondContact O-N 2.89Å; A620-N624 PolarHBondContact O-ND2 2.77Å
621D32.2Very low32.1Very low87 Ų8772.6 Ų72.647%0.46540%0.395SS..Hα-helixtrans-68.7-36170.9-76.7-18000112.4D617 L619 K625D617-D621 WeakPolarHBondContact O-CA 3.41Å; D617-D621 WeakPolarHBondContact O-CB 3.43Å; D617-D621 PolarHBondContact O-N 3.35Å; L619-D621 VanDerWaalsContact C-N 3.28Å; D621-K625 WeakPolarHBondContact O-CB 3.03Å; D621-K625 WeakPolarHBondContact O-CG 3.46Å; D621-K625 PolarHBondContact O-N 3.26Å
622G29.5Very low31.4Very low27 Ų2781.5 Ų81.528%0.27843%0.433SS..Hα-helixtrans-61.9-53.5173.900000111T618 L619 K625 I626T618-G622 PolarHBondContact O-N 3.13Å; L619-G622 PolarHBondContact O-N 3.4Å; G622-K625 PolarHBondContact O-N 3.07Å; G622-I626 WeakPolarHBondContact O-CB 3.48Å; G622-I626 WeakPolarHBondContact O-CD1 3.36Å; G622-I626 WeakPolarHBondContact O-CG1 3.5Å; G622-I626 PolarHBondContact O-N 3Å
623L28.8Very low30.8Very low25 Ų2584.7 Ų84.713%0.13146%0.456CS..Hα-helixtrans-65.4-44.9177.8-68.6172.2000111.4M613 L619 K625 I626 F627M613-L623 HydrophobicContact SD-CD1 4.38Å; L619-L623 WeakPolarHBondContact O-CB 3.48Å; L619-L623 WeakPolarHBondContact O-CG 3.14Å; L619-L623 PolarHBondContact O-N 3.02Å; L623-K625 PolarHBondContact O-N 3.41Å; L623-I626 CarbonylContact O-C 3.6Å; L623-I626 PolarHBondContact O-N 3.45Å; L623-I626 VanDerWaalsContact O-N 3.11Å; L623-F627 HydrophobicContact CB-CD2 4.15Å; L623-F627 HydrophobicContact CB-CE2 4.04Å; L623-F627 HydrophobicContact CD2-CE2 4.31Å; L623-F627 WeakPolarHBondContact O-CB 3.32Å; L623-F627 WeakPolarHBondContact O-CD2 3.39Å; L623-F627 WeakPolarHBondContact O-CG 3.48Å; L623-F627 PolarHBondContact O-N 2.9Å
624N30.8Very low30Very low101 Ų10187.7 Ų87.754%0.5448%0.479SS..Hα-helixtrans-65.4-37.8176.8-74.7-24.4000112A620 I626 A628A620-N624 WeakPolarHBondContact O-CA 3.26Å; A620-N624 WeakPolarHBondContact O-CB 3.42Å; A620-N624 PolarHBondContact O-N 2.89Å; A620-N624 PolarHBondContact O-ND2 2.77Å; N624-I626 VanDerWaalsContact C-N 3.3Å; N624-I626 PolarHBondContact O-N 3.09Å; N624-A628 WeakPolarHBondContact O-CA 3.43Å; N624-A628 WeakPolarHBondContact O-CB 3.43Å; N624-A628 PolarHBondContact O-N 3.45Å
625K33.8Very low29.3Very low142 Ų14289.3 Ų89.362%0.61749%0.49SS*.Hα-helixtrans-64.3-35.7171.5-80.8174.3178.1172.50111.5D621 G622 L623 N629D621-K625 WeakPolarHBondContact O-CB 3.03Å; D621-K625 WeakPolarHBondContact O-CG 3.46Å; D621-K625 PolarHBondContact O-N 3.26Å; G622-K625 PolarHBondContact O-N 3.07Å; L623-K625 PolarHBondContact O-N 3.41Å; K625-N629 WeakPolarHBondContact O-CB 3.42Å; K625-N629 PolarHBondContact O-N 3.28Å
626I35.6Very low28.8Very low59 Ų5996.4 Ų96.430%0.30353%0.528SS..Hα-helixtrans-73.7-45.2178.4-66.4157.7000111.1W17 G622 L623 N624 A628 N629W17-I626 VanDerWaalsContact CD1-CD1 3.49Å; G622-I626 WeakPolarHBondContact O-CB 3.48Å; G622-I626 WeakPolarHBondContact O-CD1 3.36Å; G622-I626 WeakPolarHBondContact O-CG1 3.5Å; G622-I626 PolarHBondContact O-N 3Å; L623-I626 CarbonylContact O-C 3.6Å; L623-I626 PolarHBondContact O-N 3.45Å; L623-I626 VanDerWaalsContact O-N 3.11Å; N624-I626 VanDerWaalsContact C-N 3.3Å; N624-I626 PolarHBondContact O-N 3.09Å; I626-A628 VanDerWaalsContact C-N 3.31Å; I626-A628 PolarHBondContact O-N 2.96Å; I626-N629 PolarHBondContact O-N 3.19Å
627F31.1Very low28.5Very low110 Ų11098 Ų9848%0.48254%0.54SS..Hα-helixtrans-66.9-30.4174.3-72.3-63.7000112.4L623L623-F627 HydrophobicContact CB-CD2 4.15Å; L623-F627 HydrophobicContact CB-CE2 4.04Å; L623-F627 HydrophobicContact CD2-CE2 4.31Å; L623-F627 WeakPolarHBondContact O-CB 3.32Å; L623-F627 WeakPolarHBondContact O-CD2 3.39Å; L623-F627 WeakPolarHBondContact O-CG 3.48Å; L623-F627 PolarHBondContact O-N 2.9Å
628A28.8Very low28.5Very low54 Ų5498.6 Ų98.645%0.44655%0.551SS.*Hα-helixtrans-82.5-29.8175.300000113.4N624 I626 K630N624-A628 WeakPolarHBondContact O-CA 3.43Å; N624-A628 WeakPolarHBondContact O-CB 3.43Å; N624-A628 PolarHBondContact O-N 3.45Å; I626-A628 VanDerWaalsContact C-N 3.31Å; I626-A628 PolarHBondContact O-N 2.96Å; A628-K630 PolarHBondContact O-N 3.41Å
629N24.2Very low27.9Very low113 Ų113100.6 Ų100.660%0.60456%0.556SS**THydrogen-bonded Turntrans-81.743.8178.2-9119.3000113.2K625 I626 N631K625-N629 WeakPolarHBondContact O-CB 3.42Å; K625-N629 PolarHBondContact O-N 3.28Å; I626-N629 PolarHBondContact O-N 3.19Å; N629-N631 VanDerWaalsContact C-N 3.25Å
630K25.1Very low27.7Very low179 Ų179106.7 Ų106.778%0.77859%0.587SS**THydrogen-bonded Turntrans-83.7-2.3151.9-116.7179.1-179.2176.90112.8A628A628-K630 PolarHBondContact O-N 3.41Å
631N23.6Very low27.1Very low88 Ų88111.5 Ų111.547%0.47162%0.62SS.*SBendtrans-114.8120.3174.9-67.113.9000110.6N629N629-N631 VanDerWaalsContact C-N 3.25Å
632F24Very low26.8Very low191 Ų191117.6 Ų117.684%0.83864%0.636SS**  trans-34.3126.5171.9-105.8-101.3000112.9T634F632-T634 PolarHBondContact O-N 3.37Å
633P24.7Very low26.6Very low97 Ų97122.8 Ų122.863%0.6366%0.658SS**  trans-76.593.5170.529.3-30000109.5S635P633-S635 PolarHBondContact O-N 3.1Å; P633-S635 VanDerWaalsContact O-N 3.09Å
634T21.8Very low26.7Very low133 Ų133129.7 Ų129.782%0.81670%0.695SS**  trans-7776.8155.855.70000108.1F632F632-T634 PolarHBondContact O-N 3.37Å
635S24.1Very low26.4Very low91 Ų91134.1 Ų134.164%0.63671%0.712SS**  trans-107.294.1164.168.80000109.4P633 S637P633-S635 PolarHBondContact O-N 3.1Å; P633-S635 VanDerWaalsContact O-N 3.09Å; S635-S637 PolarHBondContact O-N 2.71Å
636N22.6Very low26Very low163 Ų163135.8 Ų135.887%0.87272%0.724SS**  trans696.8149.8-64.8-15.2000115.8
637S26Very low25.5Very low95 Ų95142 Ų14266%0.66475%0.754SS**  trans-139.8123.2152.7-58.80000106.2S635 I639S635-S637 PolarHBondContact O-N 2.71Å; S637-I639 PolarHBondContact O-N 2.82Å; S637-I639 VanDerWaalsContact O-N 3.15Å
638P30.9Very low25.2Very low139 Ų139146.4 Ų146.490%0.90377%0.773SS**  trans-78.8107.2-166.930.8-31.2000109.5
639I25.2Very low25Very low157 Ų157153.3 Ų153.381%0.80579%0.793SS**  trans-117.8117.7167.3-60.7178.2000107.4S637S637-I639 PolarHBondContact O-N 2.82Å; S637-I639 VanDerWaalsContact O-N 3.15Å
640L23.2Very low25Very low167 Ų167153.8 Ų153.887%0.87481%0.806SS**  trans-19.6126.1168.9-75.4145.9000114.8R642L640-R642 PolarHBondContact O-N 3.34Å; L640-R642 VanDerWaalsContact O-N 3.14Å
641S23Very low25.1Very low123 Ų123150.4 Ų150.486%0.8681%0.805SS**  trans-39.9114.6162.1-64.20000111.9
642R25.6Very low25.1Very low215 Ų215154.7 Ų154.781%0.81182%0.822SS**  trans-163.5125.3139.2-153.1139.265.883.12.5111L640L640-R642 PolarHBondContact O-N 3.34Å; L640-R642 VanDerWaalsContact O-N 3.14Å
643N26.5Very low25.3Very low136 Ų136154.3 Ų154.373%0.72782%0.82SS**  trans89.176.2165.2-55.9-6.2000117
644D29.6Very low25.3Very low170 Ų170157.7 Ų157.791%0.90983%0.828SS**  trans-96.626167.8-134.5-7.5000112.3
645E25.9Very low25.8Very low194 Ų194158.7 Ų158.791%0.90783%0.827SS**  trans-121.928.9-176.2-76.8-156.7142.300114.7
646M25Very low25.9Very low178 Ų178162 Ų16288%0.87783%0.833SS**SBendtrans-131.433.9173.9-138163.794.500114.9
647M25.4Very low26.4Very low188 Ų188161.5 Ų161.593%0.92683%0.825SS**SBendtrans-138.852.2169-78.7-66.4-16300110.9
648K24.2Very low26.5Very low204 Ų204161.1 Ų161.189%0.88782%0.822SS**SBendtrans-152.457.1169.8-131.8-179.6-170.4179.10112.4
649K23.5Very low26.5Very low198 Ų198161.5 Ų161.586%0.86182%0.816SS**  trans165.9102.5153.5-99.4172.9178.5-173.80108.7
650S24.2Very low26.6Very low124 Ų124160.1 Ų160.187%0.86781%0.81SS**  trans-164.756.3154.2-68.80000107.7
651S27.7Very low26.8Very low108 Ų108159.5 Ų159.576%0.75581%0.805SS**SBendtrans-83.6141.514159.40000105.7
652E24.3Very low27.1Very low178 Ų178158.2 Ų158.283%0.83280%0.796SS**  trans76.679.2-166.5-81.7159.3151.600114.7E654E652-E654 PolarHBondContact O-N 3.13Å
653F28.5Very low27.4Very low182 Ų182155.7 Ų155.780%0.79880%0.797SS**  trans-86.893.5153.3-166.1-96.2000106.7L655F653-L655 PolarHBondContact O-N 2.83Å
654E24Very low27.4Very low169 Ų169155.2 Ų155.279%0.7979%0.791SS**  trans-57.3123.5166.9-77.4176.9145.100109.1E652 Q656E652-E654 PolarHBondContact O-N 3.13Å; E654-Q656 PolarHBondContact O-N 3.33Å; E654-Q656 VanDerWaalsContact O-N 3.15Å
655L32Very low27.3Very low154 Ų154151.7 Ų151.781%0.80678%0.78SS**  trans-67.198.7170.7-75.6158.2000108.7F653F653-L655 PolarHBondContact O-N 2.83Å
656Q25.9Very low27.4Very low161 Ų161147.5 Ų147.575%0.75277%0.772SS**  trans-155.5115.1160.6-15082.30.200110.6E654 S658E654-Q656 PolarHBondContact O-N 3.33Å; E654-Q656 VanDerWaalsContact O-N 3.15Å; Q656-S658 PolarHBondContact O-N 3.04Å; Q656-S658 VanDerWaalsContact O-N 3.16Å
657E33.6Very low27.5Very low151 Ų151146.4 Ų146.471%0.70676%0.762SS**SBendtrans74.9-5.6144.4-136163.7173.400122.6L659E657-L659 PolarHBondContact O-N 3.17Å
658S28.9Very low27.6Very low88 Ų88142.5 Ų142.562%0.61575%0.753SS**THydrogen-bonded Turntrans-80.8-5.9-177.878.40000116.1Q656Q656-S658 PolarHBondContact O-N 3.04Å; Q656-S658 VanDerWaalsContact O-N 3.16Å
659L31.3Very low27.6Very low146 Ų146137.9 Ų137.976%0.76475%0.747SS**THydrogen-bonded Turntrans-96.3-21-177.8-86.2157.3000114.3E657E657-L659 PolarHBondContact O-N 3.17Å
660D26.8Very low27.9Very low129 Ų129134.9 Ų134.969%0.6974%0.74SS**THydrogen-bonded Turntrans-77.6-20.4180-74.1-24000112.9S662D660-S662 PolarHBondContact O-N 3.32Å
661M26.9Very low28Very low154 Ų154134.1 Ų134.176%0.75974%0.735SS**Hα-helixtrans-76.8-16.6179.6-70.7-142.6-53.500115.2
662S29.1Very low28.4Very low96 Ų96135 Ų13567%0.67172%0.722SS**Hα-helixtrans-89.1-13.3-179.3-65.70000113.9D660D660-S662 PolarHBondContact O-N 3.32Å
663L32.7Very low28.5Very low161 Ų161133.2 Ų133.284%0.84372%0.719SS**Hα-helixtrans-91.5-26.5-178.2-144.588000113.3
664E25.6Very low29Very low126 Ų126134.2 Ų134.259%0.58972%0.719SS**Hα-helixtrans-91.1-19.4-177.1-83.5-86.1140.800114S666 K667E664-S666 VanDerWaalsContact C-N 3.3Å; E664-S666 PolarHBondContact O-N 3.2Å; E664-K667 IonicContact OE1-NZ 2.76Å; E664-K667 IonicContact OE2-NZ 2.86Å; E664-K667 PolarHBondContact OE2-NZ 2.84Å
665S27.7Very low29.3Very low97 Ų97132.7 Ų132.768%0.67872%0.716SS**SBendtrans-84.88.6-172.879.30000115.4
666S27.8Very low29.8Very low106 Ų106129.1 Ų129.174%0.74170%0.7SS**  trans-10646.4170.2-64.40000111.6E664 S668E664-S666 VanDerWaalsContact C-N 3.3Å; E664-S666 PolarHBondContact O-N 3.2Å; S666-S668 PolarHBondContact O-N 3.34Å
667K28.4Very low30.6Very low154 Ų154132 Ų13267%0.6770%0.704SS**  trans-85.578.2162.6-78.8171.9174.7156.70109.2E664E664-K667 IonicContact OE1-NZ 2.76Å; E664-K667 IonicContact OE2-NZ 2.86Å; E664-K667 PolarHBondContact OE2-NZ 2.84Å
668S26.1Very low31.4Very low106 Ų106131.1 Ų131.174%0.74170%0.704SS**  trans-140.2115.1155.951.90000110.1S666S666-S668 PolarHBondContact O-N 3.34Å
669S25.4Very low32.9Very low108 Ų108131.2 Ų131.276%0.75570%0.695SS**  trans-15.8121.5165.9-176.40000115.3
670D28.6Very low35.2Very low134 Ų134126.5 Ų126.572%0.71767%0.672SS**  -164.1121.7121-90.3-18.5000110.3Y672D670-Y672 PolarHBondContact O-N 3.27Å; D670-Y672 VanDerWaalsContact O-N 3.12Å
671S25.8Very low37.9Very low108 Ų108122.5 Ų122.576%0.75565%0.653SS**  trans-61.2101.3-179.71650000111.5
672Y37.9Very low40.4Very low126 Ų126115.2 Ų115.249%0.49462%0.617SS.*  trans-127.5106.6150.7-72.7-77000108.2D670 Y674D670-Y672 PolarHBondContact O-N 3.27Å; D670-Y672 VanDerWaalsContact O-N 3.12Å; Y672-Y674 PolarHBondContact O-N 3.15Å
673D26.4Very low43Very low142 Ų142113.4 Ų113.476%0.75960%0.599SS**  trans-64.678.9174.1-175.621.5000110.1
674Y38Very low45.4Very low203 Ų203109.9 Ų109.980%0.79658%0.58SS**  trans-107.9108.6143.5-95.4-81.3000105.1Y672 V676Y672-Y674 PolarHBondContact O-N 3.15Å; Y674-V676 PolarHBondContact O-N 3.49Å
675N31.5Very low48.2Very low137 Ų137107.3 Ų107.373%0.73357%0.57SS**  trans-67.455.3-177.4-155.8-2.7000112.2
676V41.3Very low50.8Low79 Ų79103.3 Ų103.348%0.47954%0.54SS..  trans-102.219.5-179.3-169.60000109.9Y674 D678 E679Y674-V676 PolarHBondContact O-N 3.49Å; V676-D678 PolarHBondContact O-N 2.98Å; V676-E679 HydrophobicContact CG1-CB 4.13Å
677R42.1Very low53.5Low222 Ų222102.5 Ų102.584%0.83853%0.527SS*.SBendtrans-72.1-15.3-176.4-138.3173.5-173.6-123.5-2.4113.1
678D50.3Low56.2Low132 Ų13299.8 Ų99.871%0.70652%0.519SS*.SBendtrans-120.81.6-176.8-65.7-30.2000115.2V676 T680 Q683V676-D678 PolarHBondContact O-N 2.98Å; D678-T680 PolarHBondContact O-N 3.43Å; D678-Q683 PolarHBondContact O-OE1 3.36Å
679E62.3Low59Low89 Ų8995.6 Ų95.642%0.41649%0.489SS..  trans-80.186.7178.6-67.6-171.3-175.500111.1V676 I684V676-E679 HydrophobicContact CG1-CB 4.13Å; E679-I684 HydrophobicContact CB-CG1 4.41Å
680T79.3Confident61.6Low47 Ų4790.5 Ų90.529%0.28845%0.453SS..  trans-55.6144.3172.257.60000110.9D678 I682 Q683 I684D678-T680 PolarHBondContact O-N 3.43Å; T680-I682 PolarHBondContact O-N 3.28Å; T680-I682 WeakPolarHBondContact OG1-CG2 3.28Å; T680-Q683 WeakPolarHBondContact O-CB 3.49Å; T680-Q683 PolarHBondContact O-N 2.88Å; T680-Q683 WeakPolarHBondContact OG1-CG 3.39Å; T680-Q683 PolarHBondContact OG1-NE2 3.35Å; T680-I684 PolarHBondContact O-N 3.02Å
681P82.2Confident64.3Low45 Ų4591 Ų9129%0.29245%0.452SS..Hα-helixtrans-51.2-33-178.5-29.433.9000114.7I684 L685 N723 I726 I727P681-I684 PolarHBondContact O-N 3.3Å; P681-L685 PolarHBondContact O-N 3.1Å; P681-N723 WeakPolarHBondContact CD-OD1 3.4Å; P681-I726 HydrophobicContact CB-CB 4.22Å; P681-I726 HydrophobicContact CB-CD1 4.1Å; P681-I726 HydrophobicContact CB-CG2 3.78Å; P681-I727 HydrophobicContact CG-CD1 4.46Å; P681-I727 HydrophobicContact CG-CG1 4.29Å
682I80.8Confident67.2Low1 Ų187.7 Ų87.71%0.00543%0.425CS..Hα-helixtrans-66.2-34.1175.4-163.5173000113.4T680 L685 F686 F714 Q715 V722 N723 I726T680-I682 PolarHBondContact O-N 3.28Å; T680-I682 WeakPolarHBondContact OG1-CG2 3.28Å; I682-L685 WeakPolarHBondContact O-CB 3.45Å; I682-L685 PolarHBondContact O-N 2.98Å; I682-F686 HydrophobicContact CD1-CE2 3.95Å; I682-F686 HydrophobicContact CG1-CD2 3.9Å; I682-F686 HydrophobicContact CG1-CE2 3.64Å; I682-F686 WeakPolarHBondContact O-CD2 3.47Å; I682-F686 PolarHBondContact O-N 3.03Å; I682-F714 HydrophobicContact CD1-CD1 3.82Å; I682-F714 HydrophobicContact CD1-CE1 4.07Å; I682-Q715 HydrophobicContact CG2-CG 4.49Å; I682-V722 HydrophobicContact CB-CG1 4.44Å; I682-V722 HydrophobicContact CD1-CB 3.83Å; I682-V722 HydrophobicContact CD1-CG1 3.75Å; I682-V722 HydrophobicContact CD1-CG2 4.5Å; I682-V722 HydrophobicContact CG1-CG1 3.93Å; I682-N723 VanDerWaalsContact CB-OD1 3.25Å; I682-N723 WeakPolarHBondContact CB-OD1 3.4Å; I682-N723 VanDerWaalsContact CG2-OD1 3.32Å; I682-N723 WeakPolarHBondContact CG2-OD1 3.46Å; I682-N723 PolarHBondContact N-OD1 2.76Å; I682-I726 HydrophobicContact CB-CD1 4.48Å
683Q82.1Confident69.3Low59 Ų5982.1 Ų82.128%0.27640%0.403SS..Hα-helixtrans-65.9-42175.1-72.4170.415.300110.9D678 T680 L685 F686 L687 Q715D678-Q683 PolarHBondContact O-OE1 3.36Å; T680-Q683 WeakPolarHBondContact O-CB 3.49Å; T680-Q683 PolarHBondContact O-N 2.88Å; T680-Q683 WeakPolarHBondContact OG1-CG 3.39Å; T680-Q683 PolarHBondContact OG1-NE2 3.35Å; Q683-L685 VanDerWaalsContact C-N 3.31Å; Q683-L685 PolarHBondContact O-N 2.94Å; Q683-F686 PolarHBondContact O-N 3.31Å; Q683-F686 VanDerWaalsContact O-N 3.13Å; Q683-L687 WeakPolarHBondContact O-CG 3.38Å; Q683-L687 PolarHBondContact O-N 3.01Å; Q683-Q715 VanDerWaalsContact NE2-NE2 3.13Å
684I84.9Confident71.6Confident87 Ų8777.5 Ų77.545%0.44638%0.378SS..Hα-helixtrans-61.1-43.1174.8-58.7174.6000110.3E679 T680 P681 F686 L687 L688E679-I684 HydrophobicContact CB-CG1 4.41Å; T680-I684 PolarHBondContact O-N 3.02Å; P681-I684 PolarHBondContact O-N 3.3Å; I684-F686 VanDerWaalsContact C-N 3.32Å; I684-F686 PolarHBondContact O-N 3.47Å; I684-L687 PolarHBondContact O-N 3.23Å; I684-L688 PolarHBondContact O-N 3.4Å
685L84.3Confident73.1Confident72 Ų7268.2 Ų68.238%0.37734%0.342SS..Hα-helixtrans-59.4-43.3174.2178.564000111.4P681 I682 Q683 L688 V689 I726P681-L685 PolarHBondContact O-N 3.1Å; I682-L685 WeakPolarHBondContact O-CB 3.45Å; I682-L685 PolarHBondContact O-N 2.98Å; Q683-L685 VanDerWaalsContact C-N 3.31Å; Q683-L685 PolarHBondContact O-N 2.94Å; L685-L688 PolarHBondContact O-N 3.36Å; L685-V689 HydrophobicContact CD1-CG2 4.3Å; L685-V689 HydrophobicContact CG-CG2 4.46Å; L685-V689 VanDerWaalsContact O-CG2 3.3Å; L685-V689 WeakPolarHBondContact O-CG2 3.33Å; L685-V689 PolarHBondContact O-N 2.8Å; L685-I726 HydrophobicContact CB-CD1 4.48Å; L685-I726 HydrophobicContact CD2-CD1 4.15Å
686F81.4Confident74.6Confident13 Ų1366.2 Ų66.26%0.05733%0.328CS..Hα-helixtrans-65.4-40.1177.9-84.5-60.2000113.1I682 Q683 I684 L688 V689 D690 F707 R711 F714I682-F686 HydrophobicContact CD1-CE2 3.95Å; I682-F686 HydrophobicContact CG1-CD2 3.9Å; I682-F686 HydrophobicContact CG1-CE2 3.64Å; I682-F686 WeakPolarHBondContact O-CD2 3.47Å; I682-F686 PolarHBondContact O-N 3.03Å; Q683-F686 PolarHBondContact O-N 3.31Å; Q683-F686 VanDerWaalsContact O-N 3.13Å; I684-F686 VanDerWaalsContact C-N 3.32Å; I684-F686 PolarHBondContact O-N 3.47Å; F686-L688 VanDerWaalsContact C-N 3.29Å; F686-L688 PolarHBondContact O-N 3Å; F686-V689 PolarHBondContact O-N 3.23Å; F686-D690 WeakPolarHBondContact O-CB 3.15Å; F686-D690 PolarHBondContact O-N 3.08Å; F686-F707 HydrophobicContact CD1-CE1 4.29Å; F686-F707 AromaticContact CD1-CE2 3.87Å; F686-F707 HydrophobicContact CD1-CE2 3.87Å; F686-F707 AromaticContact CD1-CZ 3.52Å; F686-F707 HydrophobicContact CD1-CZ 3.52Å; F686-F707 HydrophobicContact CE1-CE2 4.08Å; F686-F707 HydrophobicContact CE1-CZ 4.2Å; F686-R711 HydrophobicContact CB-CG 4.32Å; F686-R711 HydrophobicContact CD1-CB 4.16Å; F686-R711 HydrophobicContact CD1-CG 4.16Å; F686-R711 HydrophobicContact CD2-CG 3.88Å; F686-R711 HydrophobicContact CE1-CB 4.23Å; F686-R711 HydrophobicContact CE2-CG 4.24Å; F686-R711 HydrophobicContact CG-CB 4.37Å; F686-R711 HydrophobicContact CG-CG 3.86Å; F686-R711 HydrophobicContact CZ-CB 4.48Å; F686-F714 HydrophobicContact CE2-CB 4.45Å; F686-F714 AromaticContact CE2-CD1 3.96Å; F686-F714 HydrophobicContact CE2-CD1 3.96Å; F686-F714 HydrophobicContact CZ-CB 3.81Å; F686-F714 AromaticContact CZ-CD1 3.55Å; F686-F714 HydrophobicContact CZ-CD1 3.55Å; F686-F714 HydrophobicContact CZ-CE1 4.44Å; F686-F714 AromaticContact CZ-CG 4Å; F686-F714 HydrophobicContact CZ-CG 4Å
687L84.1Confident75.1Confident88 Ų8869.6 Ų69.646%0.46133%0.333SS..Hα-helixtrans-60.5-41.7173.3-69.8174.1000111.2Q683 I684 D690 E691Q683-L687 WeakPolarHBondContact O-CG 3.38Å; Q683-L687 PolarHBondContact O-N 3.01Å; I684-L687 PolarHBondContact O-N 3.23Å; L687-D690 WeakPolarHBondContact O-CB 3.46Å; L687-D690 PolarHBondContact O-N 3.08Å; L687-E691 PolarHBondContact O-N 3.28Å; L687-E691 VanDerWaalsContact O-N 3.08Å
688L86.4Confident75.2Confident98 Ų9867.4 Ų67.451%0.51333%0.332SS..Hα-helixtrans-65.7-45.1177.2-177.266.2000111.9I684 L685 F686 D690 E691 I692I684-L688 PolarHBondContact O-N 3.4Å; L685-L688 PolarHBondContact O-N 3.36Å; F686-L688 VanDerWaalsContact C-N 3.29Å; F686-L688 PolarHBondContact O-N 3Å; L688-D690 VanDerWaalsContact C-N 3.3Å; L688-D690 PolarHBondContact O-N 3.03Å; L688-E691 PolarHBondContact O-N 3.43Å; L688-I692 HydrophobicContact CD1-CD1 3.84Å; L688-I692 HydrophobicContact CD1-CG1 4.16Å; L688-I692 HydrophobicContact CD2-CD1 4.23Å; L688-I692 HydrophobicContact CG-CD1 3.65Å; L688-I692 HydrophobicContact CG-CG1 4.3Å; L688-I692 WeakPolarHBondContact O-CB 3.37Å; L688-I692 WeakPolarHBondContact O-CG1 3.34Å; L688-I692 PolarHBondContact O-N 3.24Å
689V84Confident74.9Confident17 Ų1766 Ų6610%0.10333%0.332CS..Hα-helixtrans-62.6-40.1176.7169.60000110.6L685 F686 E691 I692 F693 L695 F707 F790L685-V689 HydrophobicContact CD1-CG2 4.3Å; L685-V689 HydrophobicContact CG-CG2 4.46Å; L685-V689 VanDerWaalsContact O-CG2 3.3Å; L685-V689 WeakPolarHBondContact O-CG2 3.33Å; L685-V689 PolarHBondContact O-N 2.8Å; F686-V689 PolarHBondContact O-N 3.23Å; V689-E691 PolarHBondContact O-N 3.49Å; V689-I692 PolarHBondContact O-N 3.01Å; V689-F693 HydrophobicContact CB-CD2 4.45Å; V689-F693 HydrophobicContact CG1-CD2 3.72Å; V689-F693 HydrophobicContact CG1-CE2 4.08Å; V689-F693 VanDerWaalsContact O-CD2 3.25Å; V689-F693 WeakPolarHBondContact O-CD2 3.29Å; V689-F693 PolarHBondContact O-N 3.48Å; V689-L695 HydrophobicContact CG1-CD1 4.4Å; V689-F707 HydrophobicContact CB-CE2 4.32Å; V689-F707 HydrophobicContact CB-CZ 3.82Å; V689-F707 HydrophobicContact CG1-CE2 3.43Å; V689-F707 VanDerWaalsContact CG1-CE2 3.43Å; V689-F707 HydrophobicContact CG1-CZ 3.39Å; V689-F790 HydrophobicContact CG1-CZ 3.78Å; V689-F790 HydrophobicContact CG2-CZ 4.43Å
690D80.3Confident74.1Confident2 Ų266.2 Ų66.21%0.01133%0.334CS..Hα-helixtrans-58.1-49.6176.3-145.1-27.8000112.1F686 L687 L688 D694 L695 H696 F707 R711F686-D690 WeakPolarHBondContact O-CB 3.15Å; F686-D690 PolarHBondContact O-N 3.08Å; L687-D690 WeakPolarHBondContact O-CB 3.46Å; L687-D690 PolarHBondContact O-N 3.08Å; L688-D690 VanDerWaalsContact C-N 3.3Å; L688-D690 PolarHBondContact O-N 3.03Å; D690-D694 VanDerWaalsContact O-CA 3.25Å; D690-D694 WeakPolarHBondContact O-CA 3.26Å; D690-D694 PolarHBondContact O-N 2.94Å; D690-L695 PolarHBondContact O-N 3.09Å; D690-L695 VanDerWaalsContact O-N 3.14Å; D690-L695 WeakPolarHBondContact OD1-CB 3.41Å; D690-H696 IonicContact OD1-CD2 3.43Å; D690-H696 IonicContact OD1-CE1 2.73Å; D690-H696 PolarHBondContact OD1-CE1 3.06Å; D690-H696 IonicContact OD1-CG 3.19Å; D690-H696 PolarHBondContact OD1-N 2.77Å; D690-H696 IonicContact OD1-ND1 3.37Å; D690-H696 PolarHBondContact OD1-ND1 2.73Å; D690-H696 VanDerWaalsContact OD1-ND1 3.1Å; D690-H696 IonicContact OD1-NE2 3.03Å; D690-H696 IonicContact OD2-CD2 3.23Å; D690-H696 IonicContact OD2-CE1 3.11Å; D690-H696 PolarHBondContact OD2-CE1 3.06Å; D690-H696 IonicContact OD2-CG 2.69Å; D690-H696 IonicContact OD2-ND1 3.46Å; D690-H696 PolarHBondContact OD2-ND1 2.77Å; D690-H696 IonicContact OD2-NE2 3.85Å; D690-H696 PolarHBondContact OD2-NE2 3.41Å; D690-F707 HydrophobicContact CB-CE1 3.81Å; D690-R711 IonicContact OD2-CZ 3.38Å; D690-R711 IonicContact OD2-NH2 2.7Å; D690-R711 PolarHBondContact OD2-NH2 2.83Å
691E84.8Confident72.2Confident145 Ų14573 Ų7368%0.67836%0.359SS*.Hα-helixtrans-67.8-43.3-179.6-172.665.3-153.500111.7L687 L688 V689 D694L687-E691 PolarHBondContact O-N 3.28Å; L687-E691 VanDerWaalsContact O-N 3.08Å; L688-E691 PolarHBondContact O-N 3.43Å; V689-E691 PolarHBondContact O-N 3.49Å; E691-D694 PolarHBondContact O-N 2.81Å
692I86.4Confident70.7Confident38 Ų3872.4 Ų72.420%0.19536%0.355CS..Hα-helixtrans-63.4-47.3-178.5-73.8174000111L688 V689 G802 V806L688-I692 HydrophobicContact CD1-CD1 3.84Å; L688-I692 HydrophobicContact CD1-CG1 4.16Å; L688-I692 HydrophobicContact CD2-CD1 4.23Å; L688-I692 HydrophobicContact CG-CD1 3.65Å; L688-I692 HydrophobicContact CG-CG1 4.3Å; L688-I692 WeakPolarHBondContact O-CB 3.37Å; L688-I692 WeakPolarHBondContact O-CG1 3.34Å; L688-I692 PolarHBondContact O-N 3.24Å; V689-I692 PolarHBondContact O-N 3.01Å; I692-G802 WeakPolarHBondContact O-CA 3.39Å; I692-V806 HydrophobicContact CB-CG2 4.32Å; I692-V806 HydrophobicContact CD1-CG2 3.81Å; I692-V806 HydrophobicContact CG1-CG2 3.69Å; I692-V806 HydrophobicContact CG2-CG2 3.76Å
693F82.3Confident69.3Low9 Ų974.6 Ų74.64%0.03936%0.363CS..Hα-helixtrans-92.9-2.2-175.5-59.9-73.4000113V689 L695 F790 L794 T798 R801V689-F693 HydrophobicContact CB-CD2 4.45Å; V689-F693 HydrophobicContact CG1-CD2 3.72Å; V689-F693 HydrophobicContact CG1-CE2 4.08Å; V689-F693 VanDerWaalsContact O-CD2 3.25Å; V689-F693 WeakPolarHBondContact O-CD2 3.29Å; V689-F693 PolarHBondContact O-N 3.48Å; F693-L695 HydrophobicContact CB-CD1 4.23Å; F693-L695 HydrophobicContact CB-CD2 3.94Å; F693-L695 HydrophobicContact CB-CG 3.94Å; F693-F790 AromaticContact CE2-CE1 3.8Å; F693-F790 HydrophobicContact CE2-CE1 3.8Å; F693-F790 HydrophobicContact CE2-CZ 4.19Å; F693-F790 HydrophobicContact CZ-CE1 4.1Å; F693-L794 HydrophobicContact CD1-CD1 3.75Å; F693-L794 HydrophobicContact CD2-CD1 3.77Å; F693-L794 HydrophobicContact CE1-CD1 3.71Å; F693-L794 HydrophobicContact CE2-CD1 3.72Å; F693-L794 HydrophobicContact CG-CD1 3.79Å; F693-L794 HydrophobicContact CZ-CD1 3.69Å; F693-T798 HydrophobicContact CB-CG2 4.1Å; F693-T798 HydrophobicContact CD1-CG2 4.3Å; F693-R801 PolarHBondContact O-NH2 2.74Å
694D74.3Confident67.5Low44 Ų4475.5 Ų75.524%0.23537%0.367CS..THydrogen-bonded Turntrans52.959.7178.417260.6000110.6D690 E691 H696 R697 R801D690-D694 VanDerWaalsContact O-CA 3.25Å; D690-D694 WeakPolarHBondContact O-CA 3.26Å; D690-D694 PolarHBondContact O-N 2.94Å; E691-D694 PolarHBondContact O-N 2.81Å; D694-H696 VanDerWaalsContact C-N 3.34Å; D694-R697 WeakPolarHBondContact OD1-CG 3.39Å; D694-R697 IonicContact OD1-NE 3.1Å; D694-R697 PolarHBondContact OD1-NE 2.93Å; D694-R697 WeakPolarHBondContact OD2-CD 3.28Å; D694-R697 IonicContact OD2-CZ 3.86Å; D694-R697 IonicContact OD2-NE 3.83Å; D694-R697 PolarHBondContact OD2-NE 3.37Å; D694-R697 VanDerWaalsContact OD2-NE 3.11Å; D694-R801 VanDerWaalsContact CB-NH2 3.26Å; D694-R801 PolarHBondContact O-NH2 2.89Å; D694-R801 IonicContact OD2-CZ 2.91Å; D694-R801 IonicContact OD2-NH1 3.18Å; D694-R801 PolarHBondContact OD2-NH1 3.4Å; D694-R801 IonicContact OD2-NH2 3.19Å; D694-R801 PolarHBondContact OD2-NH2 3.48Å
695L70.2Confident65.9Low8 Ų873.2 Ų73.24%0.04237%0.365CS..  trans-85.5-10.2-176-51.3171000112.4V689 D690 F693 R703 Q704 F707 L794 T798V689-L695 HydrophobicContact CG1-CD1 4.4Å; D690-L695 PolarHBondContact O-N 3.09Å; D690-L695 VanDerWaalsContact O-N 3.14Å; D690-L695 WeakPolarHBondContact OD1-CB 3.41Å; F693-L695 HydrophobicContact CB-CD1 4.23Å; F693-L695 HydrophobicContact CB-CD2 3.94Å; F693-L695 HydrophobicContact CB-CG 3.94Å; L695-R703 HydrophobicContact CD2-CB 4.3Å; L695-Q704 PolarHBondContact O-OE1 3.26Å; L695-Q704 VanDerWaalsContact O-OE1 3.12Å; L695-F707 HydrophobicContact CB-CB 4.27Å; L695-F707 HydrophobicContact CB-CD1 4.18Å; L695-F707 HydrophobicContact CB-CG 4.34Å; L695-F707 HydrophobicContact CD1-CB 3.79Å; L695-F707 HydrophobicContact CD1-CD1 3.53Å; L695-F707 HydrophobicContact CD1-CD2 3.36Å; L695-F707 HydrophobicContact CD1-CE1 3.78Å; L695-F707 HydrophobicContact CD1-CE2 3.66Å; L695-F707 HydrophobicContact CD1-CG 3.27Å; L695-F707 HydrophobicContact CD1-CZ 3.84Å; L695-F707 HydrophobicContact CG-CD1 4.48Å; L695-F707 HydrophobicContact CG-CG 4.38Å; L695-L794 HydrophobicContact CD1-CD2 4.38Å; L695-T798 HydrophobicContact CD2-CG2 4.46Å
696H62.8Low64.4Low95 Ų9570.4 Ų70.444%0.4435%0.351SS..  trans-79.5-15.9-179.2-80.6-18.3000117.6D690 D694 E698 Q704D690-H696 IonicContact OD1-CD2 3.43Å; D690-H696 IonicContact OD1-CE1 2.73Å; D690-H696 PolarHBondContact OD1-CE1 3.06Å; D690-H696 IonicContact OD1-CG 3.19Å; D690-H696 PolarHBondContact OD1-N 2.77Å; D690-H696 IonicContact OD1-ND1 3.37Å; D690-H696 PolarHBondContact OD1-ND1 2.73Å; D690-H696 VanDerWaalsContact OD1-ND1 3.1Å; D690-H696 IonicContact OD1-NE2 3.03Å; D690-H696 IonicContact OD2-CD2 3.23Å; D690-H696 IonicContact OD2-CE1 3.11Å; D690-H696 PolarHBondContact OD2-CE1 3.06Å; D690-H696 IonicContact OD2-CG 2.69Å; D690-H696 IonicContact OD2-ND1 3.46Å; D690-H696 PolarHBondContact OD2-ND1 2.77Å; D690-H696 IonicContact OD2-NE2 3.85Å; D690-H696 PolarHBondContact OD2-NE2 3.41Å; D694-H696 VanDerWaalsContact C-N 3.34Å; H696-E698 PolarHBondContact O-N 3.13Å; H696-E698 VanDerWaalsContact O-N 3.14Å; H696-Q704 PolarHBondContact ND1-OE1 2.95Å; H696-Q704 VanDerWaalsContact ND1-OE1 3.09Å
697R51Low63.4Low150 Ų15070 Ų7057%0.56635%0.349SS*.  trans-68.3115.5-172.7-79-175.8-174.8-153.1-3.5113.2D694 S699 Q700D694-R697 WeakPolarHBondContact OD1-CG 3.39Å; D694-R697 IonicContact OD1-NE 3.1Å; D694-R697 PolarHBondContact OD1-NE 2.93Å; D694-R697 WeakPolarHBondContact OD2-CD 3.28Å; D694-R697 IonicContact OD2-CZ 3.86Å; D694-R697 IonicContact OD2-NE 3.83Å; D694-R697 PolarHBondContact OD2-NE 3.37Å; D694-R697 VanDerWaalsContact OD2-NE 3.11Å; R697-S699 PolarHBondContact O-N 3.27Å; R697-Q700 PolarHBondContact O-N 3.43Å
698E44.5Very low62.3Low177 Ų17767.9 Ų67.983%0.82734%0.344SS*.THydrogen-bonded Turntrans-51-27.4176-62.4-178.316600114.7H696 Q700H696-E698 PolarHBondContact O-N 3.13Å; H696-E698 VanDerWaalsContact O-N 3.14Å; E698-Q700 PolarHBondContact O-N 2.9Å; E698-Q700 VanDerWaalsContact O-N 3.15Å
699S43.9Very low60.9Low102 Ų10265.5 Ų65.571%0.71333%0.331SS*.THydrogen-bonded Turntrans-71.3-5.3-177.559.40000115R697R697-S699 PolarHBondContact O-N 3.27Å
700Q45.3Very low59.8Low94 Ų9465.7 Ų65.744%0.43933%0.332SS..  trans-132.691.2173.2-64.1-172.3-1.300108.5R697 E698 T702 R703R697-Q700 PolarHBondContact O-N 3.43Å; E698-Q700 PolarHBondContact O-N 2.9Å; E698-Q700 VanDerWaalsContact O-N 3.15Å; Q700-T702 PolarHBondContact O-N 3.34Å; Q700-R703 PolarHBondContact O-N 3.22Å
701F40.1Very low59.1Low188 Ų18868.6 Ų68.683%0.82534%0.342SS*.THydrogen-bonded Turntrans-56.53.7173.3-88-89000114.4
702T49.9Very low58Low34 Ų3467.5 Ų67.521%0.20934%0.335CS..THydrogen-bonded Turntrans-87.9-19.9-17662.60000115.7V128 D132 Q700 N706V128-T702 WeakPolarHBondContact CG1-O 3.1Å; D132-T702 HydrophobicContact CB-CG2 3.54Å; D132-T702 WeakPolarHBondContact OD1-CA 3.5Å; D132-T702 WeakPolarHBondContact OD2-CA 3.26Å; D132-T702 WeakPolarHBondContact OD2-CB 3.5Å; D132-T702 WeakPolarHBondContact OD2-CG2 3.24Å; Q700-T702 PolarHBondContact O-N 3.34Å; T702-N706 PolarHBondContact O-ND2 2.91Å
703R52.4Low56.7Low47 Ų4766.3 Ų66.318%0.17733%0.329CS..THydrogen-bonded Turntrans-115.6-43.2-166-70.2167.1-177.4-120-7.4114.6E362 L695 Q700 G705 N706 F707 T798E362-R703 IonicContact OE2-NH2 2.79Å; E362-R703 PolarHBondContact OE2-NH2 2.94Å; L695-R703 HydrophobicContact CD2-CB 4.3Å; Q700-R703 PolarHBondContact O-N 3.22Å; R703-G705 VanDerWaalsContact C-N 3.32Å; R703-G705 PolarHBondContact O-N 2.88Å; R703-N706 PolarHBondContact O-N 3.39Å; R703-F707 WeakPolarHBondContact O-CB 3.35Å; R703-F707 PolarHBondContact O-N 3.44Å; R703-T798 PolarHBondContact NH1-OG1 3.22Å; R703-T798 PolarHBondContact NH2-OG1 3.18Å
704Q43.9Very low55.7Low78 Ų7869 Ų6936%0.36434%0.341SS..Hα-helixtrans-59.6-42.2-179.6-177.465.213.700112L695 H696 A708L695-Q704 PolarHBondContact O-OE1 3.26Å; L695-Q704 VanDerWaalsContact O-OE1 3.12Å; H696-Q704 PolarHBondContact ND1-OE1 2.95Å; H696-Q704 VanDerWaalsContact ND1-OE1 3.09Å; Q704-A708 WeakPolarHBondContact O-CB 3.49Å; Q704-A708 PolarHBondContact O-N 3.34Å
705G52.4Low55.3Low38 Ų3870.2 Ų70.239%0.39235%0.345SS..Hα-helixtrans-61-50.917900000111.9R703 A708 I709R703-G705 VanDerWaalsContact C-N 3.32Å; R703-G705 PolarHBondContact O-N 2.88Å; G705-A708 PolarHBondContact O-N 3.16Å; G705-I709 WeakPolarHBondContact O-CB 3.4Å; G705-I709 VanDerWaalsContact O-CD1 3.29Å; G705-I709 WeakPolarHBondContact O-CD1 3.27Å; G705-I709 WeakPolarHBondContact O-CG1 3.21Å; G705-I709 PolarHBondContact O-N 2.98Å
706N51.9Low54.7Low14 Ų1474.9 Ų74.98%0.07537%0.374CS..Hα-helixtrans-73.1-32.9-175.4-62.5-52.1000113.4V128 L176 T702 R703 L710V128-N706 WeakPolarHBondContact CG1-ND2 3.41Å; V128-N706 HydrophobicContact CG2-CB 4.09Å; V128-N706 VanDerWaalsContact CG2-CG 3.42Å; V128-N706 WeakPolarHBondContact CG2-ND2 3.3Å; L176-N706 HydrophobicContact CD2-CB 4.35Å; T702-N706 PolarHBondContact O-ND2 2.91Å; R703-N706 PolarHBondContact O-N 3.39Å; N706-L710 VanDerWaalsContact O-CB 3.3Å; N706-L710 WeakPolarHBondContact O-CB 2.98Å; N706-L710 PolarHBondContact O-N 2.89Å
707F60.4Low54.5Low4 Ų476.3 Ų76.32%0.01838%0.38CS..Hα-helixtrans-77-37.1173.4-171.9-116.2000112.8F686 V689 D690 L695 R703 I709 L710 R711F686-F707 HydrophobicContact CD1-CE1 4.29Å; F686-F707 AromaticContact CD1-CE2 3.87Å; F686-F707 HydrophobicContact CD1-CE2 3.87Å; F686-F707 AromaticContact CD1-CZ 3.52Å; F686-F707 HydrophobicContact CD1-CZ 3.52Å; F686-F707 HydrophobicContact CE1-CE2 4.08Å; F686-F707 HydrophobicContact CE1-CZ 4.2Å; V689-F707 HydrophobicContact CB-CE2 4.32Å; V689-F707 HydrophobicContact CB-CZ 3.82Å; V689-F707 HydrophobicContact CG1-CE2 3.43Å; V689-F707 VanDerWaalsContact CG1-CE2 3.43Å; V689-F707 HydrophobicContact CG1-CZ 3.39Å; D690-F707 HydrophobicContact CB-CE1 3.81Å; L695-F707 HydrophobicContact CB-CB 4.27Å; L695-F707 HydrophobicContact CB-CD1 4.18Å; L695-F707 HydrophobicContact CB-CG 4.34Å; L695-F707 HydrophobicContact CD1-CB 3.79Å; L695-F707 HydrophobicContact CD1-CD1 3.53Å; L695-F707 HydrophobicContact CD1-CD2 3.36Å; L695-F707 HydrophobicContact CD1-CE1 3.78Å; L695-F707 HydrophobicContact CD1-CE2 3.66Å; L695-F707 HydrophobicContact CD1-CG 3.27Å; L695-F707 HydrophobicContact CD1-CZ 3.84Å; L695-F707 HydrophobicContact CG-CD1 4.48Å; L695-F707 HydrophobicContact CG-CG 4.38Å; R703-F707 WeakPolarHBondContact O-CB 3.35Å; R703-F707 PolarHBondContact O-N 3.44Å; F707-I709 VanDerWaalsContact C-N 3.28Å; F707-I709 PolarHBondContact O-N 3.3Å; F707-L710 HydrophobicContact CD2-CD2 4.19Å; F707-L710 HydrophobicContact CE2-CD2 4.35Å; F707-L710 PolarHBondContact O-N 2.97Å; F707-R711 WeakPolarHBondContact O-CB 3.41Å; F707-R711 PolarHBondContact O-N 3.43Å
708A61.5Low55.1Low44 Ų4473.5 Ų73.536%0.36437%0.371SS..Hα-helixtrans-63-40.3171.300000110.9Q704 G705 R711 K712Q704-A708 WeakPolarHBondContact O-CB 3.49Å; Q704-A708 PolarHBondContact O-N 3.34Å; G705-A708 PolarHBondContact O-N 3.16Å; A708-R711 PolarHBondContact O-N 2.96Å; A708-K712 WeakPolarHBondContact O-CB 3.49Å; A708-K712 PolarHBondContact O-N 3.25Å
709I56Low56.1Low47 Ų4765.3 Ų65.324%0.24134%0.335CS..Hα-helixtrans-58.7-54.8170.3-81.1164.9000110.7L176 A179 G705 F707 R711 K712 I713L176-I709 HydrophobicContact CD2-CG2 4.13Å; A179-I709 HydrophobicContact CB-CB 4.05Å; A179-I709 HydrophobicContact CB-CG1 4.13Å; A179-I709 HydrophobicContact CB-CG2 3.14Å; G705-I709 WeakPolarHBondContact O-CB 3.4Å; G705-I709 VanDerWaalsContact O-CD1 3.29Å; G705-I709 WeakPolarHBondContact O-CD1 3.27Å; G705-I709 WeakPolarHBondContact O-CG1 3.21Å; G705-I709 PolarHBondContact O-N 2.98Å; F707-I709 VanDerWaalsContact C-N 3.28Å; F707-I709 PolarHBondContact O-N 3.3Å; I709-R711 VanDerWaalsContact C-N 3.31Å; I709-R711 PolarHBondContact O-N 2.96Å; I709-K712 PolarHBondContact O-N 3.32Å; I709-K712 VanDerWaalsContact O-N 3.11Å; I709-I713 HydrophobicContact CG2-CD1 3.73Å; I709-I713 VanDerWaalsContact O-CG1 3.31Å; I709-I713 WeakPolarHBondContact O-CG1 3.44Å; I709-I713 PolarHBondContact O-N 2.89Å
710L61Low57.5Low22 Ų2266.8 Ų66.812%0.11533%0.333CS..Hα-helixtrans-57.6-45.8178.6-177.775.5000110.7N706 F707 K712 I713 F714 F793N706-L710 VanDerWaalsContact O-CB 3.3Å; N706-L710 WeakPolarHBondContact O-CB 2.98Å; N706-L710 PolarHBondContact O-N 2.89Å; F707-L710 HydrophobicContact CD2-CD2 4.19Å; F707-L710 HydrophobicContact CE2-CD2 4.35Å; F707-L710 PolarHBondContact O-N 2.97Å; L710-K712 VanDerWaalsContact C-N 3.32Å; L710-K712 PolarHBondContact O-N 3.49Å; L710-I713 PolarHBondContact O-N 3.3Å; L710-F714 WeakPolarHBondContact O-CB 3.34Å; L710-F714 PolarHBondContact O-N 3.22Å; L710-F793 HydrophobicContact CB-CE1 4Å; L710-F793 HydrophobicContact CB-CZ 3.74Å; L710-F793 HydrophobicContact CD1-CD2 4.37Å; L710-F793 HydrophobicContact CD1-CE1 4.15Å; L710-F793 HydrophobicContact CD1-CE2 3.83Å; L710-F793 HydrophobicContact CD1-CZ 3.71Å; L710-F793 HydrophobicContact CD2-CD1 3.86Å; L710-F793 HydrophobicContact CD2-CE1 3.5Å; L710-F793 VanDerWaalsContact CD2-CE1 3.5Å; L710-F793 HydrophobicContact CD2-CZ 3.93Å; L710-F793 HydrophobicContact CG-CE1 4.06Å; L710-F793 HydrophobicContact CG-CZ 3.97Å
711R66.5Low58.6Low62 Ų6271.5 Ų71.523%0.23435%0.347CS..Hα-helixtrans-55.1-49.6176-179.2-173.2-56.8-171.31.9110.1F686 D690 F707 A708 I709 Q715F686-R711 HydrophobicContact CB-CG 4.32Å; F686-R711 HydrophobicContact CD1-CB 4.16Å; F686-R711 HydrophobicContact CD1-CG 4.16Å; F686-R711 HydrophobicContact CD2-CG 3.88Å; F686-R711 HydrophobicContact CE1-CB 4.23Å; F686-R711 HydrophobicContact CE2-CG 4.24Å; F686-R711 HydrophobicContact CG-CB 4.37Å; F686-R711 HydrophobicContact CG-CG 3.86Å; F686-R711 HydrophobicContact CZ-CB 4.48Å; D690-R711 IonicContact OD2-CZ 3.38Å; D690-R711 IonicContact OD2-NH2 2.7Å; D690-R711 PolarHBondContact OD2-NH2 2.83Å; F707-R711 WeakPolarHBondContact O-CB 3.41Å; F707-R711 PolarHBondContact O-N 3.43Å; A708-R711 PolarHBondContact O-N 2.96Å; I709-R711 VanDerWaalsContact C-N 3.31Å; I709-R711 PolarHBondContact O-N 2.96Å; R711-Q715 WeakPolarHBondContact O-CB 3.42Å; R711-Q715 PolarHBondContact O-N 3.33Å
712K61.3Low60.2Low123 Ų12363.2 Ų63.254%0.53531%0.312SS..Hα-helixtrans-64.3-48.6-179.1-161.3166.9178.9-175.10111.3E183 A708 I709 L710 T716E183-K712 IonicContact OE1-NZ 2.76Å; E183-K712 PolarHBondContact OE1-NZ 3.43Å; A708-K712 WeakPolarHBondContact O-CB 3.49Å; A708-K712 PolarHBondContact O-N 3.25Å; I709-K712 PolarHBondContact O-N 3.32Å; I709-K712 VanDerWaalsContact O-N 3.11Å; L710-K712 VanDerWaalsContact C-N 3.32Å; L710-K712 PolarHBondContact O-N 3.49Å; K712-T716 WeakPolarHBondContact O-CB 3.46Å; K712-T716 PolarHBondContact O-N 2.85Å; K712-T716 PolarHBondContact O-OG1 2.73Å
713I58.7Low61.6Low13 Ų1362.9 Ų62.97%0.06731%0.309CS..Hα-helixtrans-58.3-54.3176-60156.1000110.3A175 A179 I709 L710 Q715 T716 F717A175-I713 HydrophobicContact CB-CD1 4.21Å; A175-I713 WeakPolarHBondContact O-CD1 3.32Å; A179-I713 HydrophobicContact CB-CD1 3.39Å; A179-I713 HydrophobicContact CB-CG1 3.49Å; A179-I713 VanDerWaalsContact CB-CG1 3.49Å; I709-I713 HydrophobicContact CG2-CD1 3.73Å; I709-I713 VanDerWaalsContact O-CG1 3.31Å; I709-I713 WeakPolarHBondContact O-CG1 3.44Å; I709-I713 PolarHBondContact O-N 2.89Å; L710-I713 PolarHBondContact O-N 3.3Å; I713-Q715 VanDerWaalsContact C-N 3.34Å; I713-Q715 PolarHBondContact O-N 3.39Å; I713-T716 PolarHBondContact O-N 2.99Å; I713-T716 VanDerWaalsContact O-N 3.14Å; I713-F717 HydrophobicContact CG2-CD2 3.61Å; I713-F717 HydrophobicContact CG2-CE2 4.08Å; I713-F717 VanDerWaalsContact O-CD2 3.3Å; I713-F717 WeakPolarHBondContact O-CD2 3.35Å; I713-F717 PolarHBondContact O-N 3.33Å
714F61.8Low63Low66 Ų6667.8 Ų67.829%0.28933%0.331SS..Hα-helixtrans-71.3-34.3-168.2-164.5-91.8000111.2I682 F686 L710 F718 G719 V722I682-F714 HydrophobicContact CD1-CD1 3.82Å; I682-F714 HydrophobicContact CD1-CE1 4.07Å; F686-F714 HydrophobicContact CE2-CB 4.45Å; F686-F714 AromaticContact CE2-CD1 3.96Å; F686-F714 HydrophobicContact CE2-CD1 3.96Å; F686-F714 HydrophobicContact CZ-CB 3.81Å; F686-F714 AromaticContact CZ-CD1 3.55Å; F686-F714 HydrophobicContact CZ-CD1 3.55Å; F686-F714 HydrophobicContact CZ-CE1 4.44Å; F686-F714 AromaticContact CZ-CG 4Å; F686-F714 HydrophobicContact CZ-CG 4Å; L710-F714 WeakPolarHBondContact O-CB 3.34Å; L710-F714 PolarHBondContact O-N 3.22Å; F714-F718 HydrophobicContact CD1-CB 4.35Å; F714-F718 HydrophobicContact CD2-CB 4.3Å; F714-F718 AromaticContact CD2-CD2 3.55Å; F714-F718 HydrophobicContact CD2-CD2 3.55Å; F714-F718 HydrophobicContact CD2-CE2 4.27Å; F714-F718 HydrophobicContact CD2-CG 4.24Å; F714-F718 HydrophobicContact CE1-CB 4.34Å; F714-F718 HydrophobicContact CE2-CB 4.27Å; F714-F718 AromaticContact CE2-CD2 3.88Å; F714-F718 HydrophobicContact CE2-CD2 3.88Å; F714-F718 HydrophobicContact CE2-CG 4.22Å; F714-F718 HydrophobicContact CG-CB 4.34Å; F714-F718 HydrophobicContact CG-CD2 4.11Å; F714-F718 HydrophobicContact CZ-CB 4.29Å; F714-F718 CarbonylContact O-C 3.54Å; F714-F718 VanDerWaalsContact O-CA 3.3Å; F714-F718 WeakPolarHBondContact O-CA 3.34Å; F714-F718 WeakPolarHBondContact O-CB 3.28Å; F714-F718 PolarHBondContact O-N 2.73Å; F714-G719 PolarHBondContact O-N 3.45Å; F714-V722 HydrophobicContact CE1-CB 4.33Å; F714-V722 HydrophobicContact CE1-CG1 4.2Å; F714-V722 HydrophobicContact CE1-CG2 3.6Å; F714-V722 HydrophobicContact CZ-CG2 3.77Å
715Q65.3Low64.7Low68 Ų6870 Ų7032%0.31834%0.343SS..Hα-helixtrans-67.1-39.2170.7-171.1174.4-9.100111.9I682 Q683 R711 I713 G719I682-Q715 HydrophobicContact CG2-CG 4.49Å; Q683-Q715 VanDerWaalsContact NE2-NE2 3.13Å; R711-Q715 WeakPolarHBondContact O-CB 3.42Å; R711-Q715 PolarHBondContact O-N 3.33Å; I713-Q715 VanDerWaalsContact C-N 3.34Å; I713-Q715 PolarHBondContact O-N 3.39Å; Q715-G719 WeakPolarHBondContact O-CA 3.42Å; Q715-G719 PolarHBondContact O-N 2.9Å
716T58.2Low66Low107 Ų10770.5 Ų70.566%0.65634%0.336SS*.Hα-helixtrans-71.3-48.6178.7-62.20000112.8K712 I713K712-T716 WeakPolarHBondContact O-CB 3.46Å; K712-T716 PolarHBondContact O-N 2.85Å; K712-T716 PolarHBondContact O-OG1 2.73Å; I713-T716 PolarHBondContact O-N 2.99Å; I713-T716 VanDerWaalsContact O-N 3.14Å
717F58.8Low67.6Low125 Ų12574.1 Ų74.155%0.54836%0.355SS..Hα-helixtrans-87.9-39.4-174.3-71.7-78.3000113.7I713I713-F717 HydrophobicContact CG2-CD2 3.61Å; I713-F717 HydrophobicContact CG2-CE2 4.08Å; I713-F717 VanDerWaalsContact O-CD2 3.3Å; I713-F717 WeakPolarHBondContact O-CD2 3.35Å; I713-F717 PolarHBondContact O-N 3.33Å
718F64.4Low68.8Low90 Ų9076.7 Ų76.740%0.39538%0.377SS..Hα-helixtrans-109.8-4.7-173.4-57.3-73.1000113.2F714 I720 R721 V722F714-F718 HydrophobicContact CD1-CB 4.35Å; F714-F718 HydrophobicContact CD2-CB 4.3Å; F714-F718 AromaticContact CD2-CD2 3.55Å; F714-F718 HydrophobicContact CD2-CD2 3.55Å; F714-F718 HydrophobicContact CD2-CE2 4.27Å; F714-F718 HydrophobicContact CD2-CG 4.24Å; F714-F718 HydrophobicContact CE1-CB 4.34Å; F714-F718 HydrophobicContact CE2-CB 4.27Å; F714-F718 AromaticContact CE2-CD2 3.88Å; F714-F718 HydrophobicContact CE2-CD2 3.88Å; F714-F718 HydrophobicContact CE2-CG 4.22Å; F714-F718 HydrophobicContact CG-CB 4.34Å; F714-F718 HydrophobicContact CG-CD2 4.11Å; F714-F718 HydrophobicContact CZ-CB 4.29Å; F714-F718 CarbonylContact O-C 3.54Å; F714-F718 VanDerWaalsContact O-CA 3.3Å; F714-F718 WeakPolarHBondContact O-CA 3.34Å; F714-F718 WeakPolarHBondContact O-CB 3.28Å; F714-F718 PolarHBondContact O-N 2.73Å; F718-I720 PolarHBondContact O-N 2.9Å; F718-R721 PolarHBondContact O-N 3.33Å; F718-R721 VanDerWaalsContact O-N 3.13Å; F718-V722 HydrophobicContact CB-CG2 3.89Å; F718-V722 WeakPolarHBondContact O-CB 3.45Å; F718-V722 WeakPolarHBondContact O-CG2 3.2Å; F718-V722 PolarHBondContact O-N 3.16Å
719G65Low69.8Low5 Ų578.9 Ų78.95%0.05238%0.378CS..Hα-helixtrans-48.4-54-175.100000113.9F714 Q715 R721 N723F714-G719 PolarHBondContact O-N 3.45Å; Q715-G719 WeakPolarHBondContact O-CA 3.42Å; Q715-G719 PolarHBondContact O-N 2.9Å; G719-R721 PolarHBondContact O-N 2.92Å; G719-N723 WeakPolarHBondContact O-CB 3.47Å; G719-N723 PolarHBondContact O-N 3.28Å; G719-N723 PolarHBondContact O-ND2 2.73Å; G719-N723 VanDerWaalsContact O-ND2 3.09Å
720I73.4Confident71.3Confident133 Ų13379 Ų7968%0.68239%0.387SS*.Hα-helixtrans-62-46.7-178.8-57.1175.7000111.2F718 K724F718-I720 PolarHBondContact O-N 2.9Å; I720-K724 WeakPolarHBondContact O-CG 3.4Å; I720-K724 PolarHBondContact O-N 3.19Å
721R68.4Low72.6Confident193 Ų19381.6 Ų81.673%0.72841%0.405SS*.Hα-helixtrans-66.9-45.4-177.4-176.1177.7-179.7179.80.1111.7F718 G719 K724 M725F718-R721 PolarHBondContact O-N 3.33Å; F718-R721 VanDerWaalsContact O-N 3.13Å; G719-R721 PolarHBondContact O-N 2.92Å; R721-K724 PolarHBondContact O-N 3.26Å; R721-M725 WeakPolarHBondContact O-CB 3.09Å; R721-M725 PolarHBondContact O-N 2.87Å
722V73.2Confident73.4Confident15 Ų1582.4 Ų82.49%0.09141%0.412CS..Hα-helixtrans-69.3-40.5-179.1171.70000110.4I682 F714 F718 K724 M725 I726I682-V722 HydrophobicContact CB-CG1 4.44Å; I682-V722 HydrophobicContact CD1-CB 3.83Å; I682-V722 HydrophobicContact CD1-CG1 3.75Å; I682-V722 HydrophobicContact CD1-CG2 4.5Å; I682-V722 HydrophobicContact CG1-CG1 3.93Å; F714-V722 HydrophobicContact CE1-CB 4.33Å; F714-V722 HydrophobicContact CE1-CG1 4.2Å; F714-V722 HydrophobicContact CE1-CG2 3.6Å; F714-V722 HydrophobicContact CZ-CG2 3.77Å; F718-V722 HydrophobicContact CB-CG2 3.89Å; F718-V722 WeakPolarHBondContact O-CB 3.45Å; F718-V722 WeakPolarHBondContact O-CG2 3.2Å; F718-V722 PolarHBondContact O-N 3.16Å; V722-K724 PolarHBondContact O-N 2.78Å; V722-M725 WeakPolarHBondContact O-CB 3.22Å; V722-M725 PolarHBondContact O-N 3.41Å; V722-M725 VanDerWaalsContact O-N 3.13Å; V722-I726 HydrophobicContact CG1-CD1 3.74Å; V722-I726 HydrophobicContact CG1-CG1 4.2Å; V722-I726 VanDerWaalsContact O-CG1 3.27Å; V722-I726 WeakPolarHBondContact O-CG1 3.32Å; V722-I726 PolarHBondContact O-N 3.07Å
723N79.3Confident74.2Confident26 Ų2683.8 Ų83.814%0.13941%0.414CS..Hα-helixtrans-57.3-47.6171.8-78.2-30.6000111.5P681 I682 G719 M725 I726 I727P681-N723 WeakPolarHBondContact CD-OD1 3.4Å; I682-N723 VanDerWaalsContact CB-OD1 3.25Å; I682-N723 WeakPolarHBondContact CB-OD1 3.4Å; I682-N723 VanDerWaalsContact CG2-OD1 3.32Å; I682-N723 WeakPolarHBondContact CG2-OD1 3.46Å; I682-N723 PolarHBondContact N-OD1 2.76Å; G719-N723 WeakPolarHBondContact O-CB 3.47Å; G719-N723 PolarHBondContact O-N 3.28Å; G719-N723 PolarHBondContact O-ND2 2.73Å; G719-N723 VanDerWaalsContact O-ND2 3.09Å; N723-M725 VanDerWaalsContact C-N 3.31Å; N723-M725 PolarHBondContact O-N 2.99Å; N723-I726 PolarHBondContact O-N 3.48Å; N723-I727 VanDerWaalsContact O-CG1 3.27Å; N723-I727 WeakPolarHBondContact O-CG1 3.26Å; N723-I727 PolarHBondContact O-N 2.91Å
724K81.7Confident75.5Confident150 Ų15087.9 Ų87.965%0.65244%0.439SS*.Hα-helixtrans-59.4-40.9174.5-75.2-177.9178.1-176.80112I720 R721 V722 A728I720-K724 WeakPolarHBondContact O-CG 3.4Å; I720-K724 PolarHBondContact O-N 3.19Å; R721-K724 PolarHBondContact O-N 3.26Å; V722-K724 PolarHBondContact O-N 2.78Å; K724-A728 WeakPolarHBondContact O-CB 3.49Å; K724-A728 PolarHBondContact O-N 3.23Å
725M79.1Confident76.7Confident125 Ų12586.5 Ų86.562%0.61644%0.438SS*.Hα-helixtrans-66.3-43.9178.2-171.1-177.175.200112.5R721 V722 N723 A728 K729R721-M725 WeakPolarHBondContact O-CB 3.09Å; R721-M725 PolarHBondContact O-N 2.87Å; V722-M725 WeakPolarHBondContact O-CB 3.22Å; V722-M725 PolarHBondContact O-N 3.41Å; V722-M725 VanDerWaalsContact O-N 3.13Å; N723-M725 VanDerWaalsContact C-N 3.31Å; N723-M725 PolarHBondContact O-N 2.99Å; M725-A728 PolarHBondContact O-N 2.96Å; M725-K729 WeakPolarHBondContact O-CB 3.44Å; M725-K729 PolarHBondContact O-N 3.27Å
726I81Confident77.9Confident49 Ų4986.8 Ų86.825%0.25145%0.452SS..Hα-helixtrans-61.3-47.7176.9-67.8165.5000109.7P681 I682 L685 V722 N723 K729 A730P681-I726 HydrophobicContact CB-CB 4.22Å; P681-I726 HydrophobicContact CB-CD1 4.1Å; P681-I726 HydrophobicContact CB-CG2 3.78Å; I682-I726 HydrophobicContact CB-CD1 4.48Å; L685-I726 HydrophobicContact CB-CD1 4.48Å; L685-I726 HydrophobicContact CD2-CD1 4.15Å; V722-I726 HydrophobicContact CG1-CD1 3.74Å; V722-I726 HydrophobicContact CG1-CG1 4.2Å; V722-I726 VanDerWaalsContact O-CG1 3.27Å; V722-I726 WeakPolarHBondContact O-CG1 3.32Å; V722-I726 PolarHBondContact O-N 3.07Å; N723-I726 PolarHBondContact O-N 3.48Å; I726-K729 PolarHBondContact O-N 3.12Å; I726-A730 WeakPolarHBondContact O-CB 3.22Å; I726-A730 PolarHBondContact O-N 3.36Å
727I85.6Confident79.4Confident89 Ų8985.7 Ų85.746%0.45645%0.447SS..Hα-helixtrans-62.3-47.6177.8-66.1166.5000110.3P681 N723 K729 A730 C731P681-I727 HydrophobicContact CG-CD1 4.46Å; P681-I727 HydrophobicContact CG-CG1 4.29Å; N723-I727 VanDerWaalsContact O-CG1 3.27Å; N723-I727 WeakPolarHBondContact O-CG1 3.26Å; N723-I727 PolarHBondContact O-N 2.91Å; I727-K729 VanDerWaalsContact C-N 3.28Å; I727-K729 PolarHBondContact O-N 3.4Å; I727-A730 PolarHBondContact O-N 2.86Å; I727-A730 VanDerWaalsContact O-N 3.17Å; I727-C731 WeakPolarHBondContact O-CB 3.26Å; I727-C731 PolarHBondContact O-N 2.87Å; I727-C731 PolarHBondContact O-SG 2.94Å
728A84.2Confident80.5Confident59 Ų5983.5 Ų83.549%0.48844%0.437SS..Hα-helixtrans-57.9-41.6177.800000111.8K724 M725 C731 E732K724-A728 WeakPolarHBondContact O-CB 3.49Å; K724-A728 PolarHBondContact O-N 3.23Å; M725-A728 PolarHBondContact O-N 2.96Å; A728-C731 PolarHBondContact O-N 2.93Å; A728-E732 PolarHBondContact O-N 3.44Å
729K83.9Confident81.5Confident90 Ų9082.3 Ų82.339%0.39143%0.434SS..Hα-helixtrans-68.1-40177.2-161.570.9-174.6165.40112.3M725 I726 I727 C731 E732 W733M725-K729 WeakPolarHBondContact O-CB 3.44Å; M725-K729 PolarHBondContact O-N 3.27Å; I726-K729 PolarHBondContact O-N 3.12Å; I727-K729 VanDerWaalsContact C-N 3.28Å; I727-K729 PolarHBondContact O-N 3.4Å; K729-C731 VanDerWaalsContact C-N 3.35Å; K729-E732 WeakPolarHBondContact CD-OE2 3.19Å; K729-E732 WeakPolarHBondContact CE-OE2 3.33Å; K729-E732 IonicContact NZ-OE1 2.68Å; K729-E732 PolarHBondContact NZ-OE1 2.96Å; K729-E732 IonicContact NZ-OE2 3.25Å; K729-E732 PolarHBondContact NZ-OE2 3.18Å; K729-E732 WeakPolarHBondContact O-CB 3.47Å; K729-E732 PolarHBondContact O-N 3.41Å; K729-W733 PolarHBondContact O-N 3.26Å
730A85.7Confident82.5Confident50 Ų5086 Ų8641%0.41346%0.456SS..Hα-helixtrans-62-42.8173.200000111.4I726 I727 W733 T734I726-A730 WeakPolarHBondContact O-CB 3.22Å; I726-A730 PolarHBondContact O-N 3.36Å; I727-A730 PolarHBondContact O-N 2.86Å; I727-A730 VanDerWaalsContact O-N 3.17Å; A730-W733 PolarHBondContact O-N 2.81Å; A730-T734 WeakPolarHBondContact O-CB 3.42Å; A730-T734 WeakPolarHBondContact O-CG2 3.45Å; A730-T734 PolarHBondContact O-N 3.31Å; A730-T734 PolarHBondContact O-OG1 3.32Å
731C88.7Confident82.9Confident75 Ų7584.1 Ų84.151%0.50744%0.444SS..Hα-helixtrans-63.1-39.8174.5-700000112I727 A728 K729 T734 S735I727-C731 WeakPolarHBondContact O-CB 3.26Å; I727-C731 PolarHBondContact O-N 2.87Å; I727-C731 PolarHBondContact O-SG 2.94Å; A728-C731 PolarHBondContact O-N 2.93Å; K729-C731 VanDerWaalsContact C-N 3.35Å; C731-T734 WeakPolarHBondContact CA-OG1 3.45Å; C731-T734 CarbonylContact O-C 3.51Å; C731-T734 PolarHBondContact O-N 3.13Å; C731-T734 PolarHBondContact O-OG1 3.42Å; C731-S735 PolarHBondContact O-N 3.43Å
732E83.8Confident83.4Confident79 Ų7977.9 Ų77.937%0.36943%0.425SS..Hα-helixtrans-61.5-47.4175.1-170.4-158.8143.100111A728 K729 T734 S735 K738A728-E732 PolarHBondContact O-N 3.44Å; K729-E732 WeakPolarHBondContact CD-OE2 3.19Å; K729-E732 WeakPolarHBondContact CE-OE2 3.33Å; K729-E732 IonicContact NZ-OE1 2.68Å; K729-E732 PolarHBondContact NZ-OE1 2.96Å; K729-E732 IonicContact NZ-OE2 3.25Å; K729-E732 PolarHBondContact NZ-OE2 3.18Å; K729-E732 WeakPolarHBondContact O-CB 3.47Å; K729-E732 PolarHBondContact O-N 3.41Å; E732-T734 VanDerWaalsContact C-N 3.34Å; E732-T734 PolarHBondContact O-N 3.25Å; E732-S735 WeakPolarHBondContact O-CB 3.12Å; E732-S735 PolarHBondContact O-N 3.14Å; E732-S735 PolarHBondContact O-OG 2.89Å; E732-K738 WeakPolarHBondContact O-CG 3.49Å
733W78Confident83.9Confident152 Ų15282 Ų8258%0.57645%0.446SS*.Hα-helixtrans-70.6-30.2-179-73.63.3000113.8K729 A730 S735 K738K729-W733 PolarHBondContact O-N 3.26Å; A730-W733 PolarHBondContact O-N 2.81Å; W733-S735 VanDerWaalsContact C-N 3.3Å; W733-K738 WeakPolarHBondContact O-CB 3.44Å
734T86Confident84Confident99 Ų9982.9 Ų82.961%0.60745%0.452SS*.THydrogen-bonded Turntrans-88.12174.657.50000113.3A730 C731 E732A730-T734 WeakPolarHBondContact O-CB 3.42Å; A730-T734 WeakPolarHBondContact O-CG2 3.45Å; A730-T734 PolarHBondContact O-N 3.31Å; A730-T734 PolarHBondContact O-OG1 3.32Å; C731-T734 WeakPolarHBondContact CA-OG1 3.45Å; C731-T734 CarbonylContact O-C 3.51Å; C731-T734 PolarHBondContact O-N 3.13Å; C731-T734 PolarHBondContact O-OG1 3.42Å; E732-T734 VanDerWaalsContact C-N 3.34Å; E732-T734 PolarHBondContact O-N 3.25Å
735S87.2Confident83.8Confident37 Ų3777.9 Ų77.926%0.25943%0.429SS..SBendtrans-64147.3174.772.60000111.7C731 E732 W733 P737 K738 I739C731-S735 PolarHBondContact O-N 3.43Å; E732-S735 WeakPolarHBondContact O-CB 3.12Å; E732-S735 PolarHBondContact O-N 3.14Å; E732-S735 PolarHBondContact O-OG 2.89Å; W733-S735 VanDerWaalsContact C-N 3.3Å; S735-P737 VanDerWaalsContact C-CD 3.42Å; S735-P737 VanDerWaalsContact C-N 3.31Å; S735-K738 PolarHBondContact O-N 3.49Å; S735-K738 VanDerWaalsContact O-N 3.11Å; S735-I739 WeakPolarHBondContact O-CG1 3.35Å; S735-I739 PolarHBondContact O-N 3.21Å
736A91.1Very high83.8Confident75 Ų7574.3 Ų74.362%0.6241%0.412SS*.Hα-helixtrans-52.2-39.9-179.500000114.1T740A736-T740 VanDerWaalsContact O-CB 3.28Å; A736-T740 WeakPolarHBondContact O-CB 3.39Å; A736-T740 PolarHBondContact O-N 3.48Å; A736-T740 PolarHBondContact O-OG1 2.97Å
737P88.2Confident83.8Confident84 Ų8478 Ų7855%0.54542%0.423SS..Hα-helixtrans-62.5-46.3175.5-24.235.2000113.8S735 T740 Q741S735-P737 VanDerWaalsContact C-CD 3.42Å; S735-P737 VanDerWaalsContact C-N 3.31Å; P737-T740 WeakPolarHBondContact O-CB 3.43Å; P737-T740 PolarHBondContact O-N 3.27Å; P737-Q741 WeakPolarHBondContact O-CG 3.46Å; P737-Q741 PolarHBondContact O-N 3.21Å
738K81.7Confident83.5Confident78 Ų7876.7 Ų76.734%0.33942%0.417SS..Hα-helixtrans-68.1-40.4-179.7-72.2-67.3-173.3175.30111.7E732 W733 S735 T740 Q741 L742E732-K738 WeakPolarHBondContact O-CG 3.49Å; W733-K738 WeakPolarHBondContact O-CB 3.44Å; S735-K738 PolarHBondContact O-N 3.49Å; S735-K738 VanDerWaalsContact O-N 3.11Å; K738-T740 VanDerWaalsContact C-N 3.33Å; K738-T740 PolarHBondContact O-N 3.44Å; K738-Q741 WeakPolarHBondContact O-CB 3.22Å; K738-Q741 PolarHBondContact O-N 3.12Å; K738-L742 PolarHBondContact O-N 2.88Å
739I85.7Confident82.9Confident66 Ų6676.9 Ų76.934%0.33841%0.405SS..Hα-helixtrans-63.3-40.1172.7-63.3-61.5000111.1S735 Q741 L742 I743S735-I739 WeakPolarHBondContact O-CG1 3.35Å; S735-I739 PolarHBondContact O-N 3.21Å; I739-Q741 VanDerWaalsContact C-N 3.31Å; I739-Q741 PolarHBondContact O-N 3.06Å; I739-L742 PolarHBondContact O-N 2.83Å; I739-I743 HydrophobicContact CG2-CD1 3.69Å; I739-I743 HydrophobicContact CG2-CG1 4.24Å; I739-I743 WeakPolarHBondContact O-CB 3.4Å; I739-I743 VanDerWaalsContact O-CG1 3.31Å; I739-I743 WeakPolarHBondContact O-CG1 3.43Å; I739-I743 PolarHBondContact O-N 3.28Å
740T87.2Confident82.5Confident82 Ų8275.9 Ų75.950%0.50340%0.401SS..Hα-helixtrans-62.1-39.5175.3-60.30000111.6A736 P737 K738 T744A736-T740 VanDerWaalsContact O-CB 3.28Å; A736-T740 WeakPolarHBondContact O-CB 3.39Å; A736-T740 PolarHBondContact O-N 3.48Å; A736-T740 PolarHBondContact O-OG1 2.97Å; P737-T740 WeakPolarHBondContact O-CB 3.43Å; P737-T740 PolarHBondContact O-N 3.27Å; K738-T740 VanDerWaalsContact C-N 3.33Å; K738-T740 PolarHBondContact O-N 3.44Å; T740-T744 WeakPolarHBondContact O-CB 3Å; T740-T744 PolarHBondContact O-N 3.1Å; T740-T744 PolarHBondContact O-OG1 2.85Å
741Q81.3Confident82.2Confident94 Ų9482.6 Ų82.644%0.43942%0.416SS..Hα-helixtrans-63.1-45.4174.1-70.8172.18.100111.7P737 K738 I739 T744 Y745P737-Q741 WeakPolarHBondContact O-CG 3.46Å; P737-Q741 PolarHBondContact O-N 3.21Å; K738-Q741 WeakPolarHBondContact O-CB 3.22Å; K738-Q741 PolarHBondContact O-N 3.12Å; I739-Q741 VanDerWaalsContact C-N 3.31Å; I739-Q741 PolarHBondContact O-N 3.06Å; Q741-T744 PolarHBondContact O-N 3.44Å; Q741-Y745 WeakPolarHBondContact O-CB 3.14Å; Q741-Y745 PolarHBondContact O-N 3.03Å
742L77.7Confident81.5Confident61 Ų6183.1 Ų83.132%0.31942%0.419SS..Hα-helixtrans-63.1-45.7177.4178.861.1000111.9F18 K738 I739 T744 Y745 L746F18-L742 HydrophobicContact CZ-CD1 4.44Å; K738-L742 PolarHBondContact O-N 2.88Å; I739-L742 PolarHBondContact O-N 2.83Å; L742-T744 VanDerWaalsContact C-N 3.3Å; L742-T744 PolarHBondContact O-N 3.32Å; L742-Y745 PolarHBondContact O-N 2.85Å; L742-L746 HydrophobicContact CD1-CD1 4.37Å; L742-L746 HydrophobicContact CD1-CG 4.41Å; L742-L746 HydrophobicContact CG-CD1 4.3Å; L742-L746 WeakPolarHBondContact O-CG 3.26Å; L742-L746 PolarHBondContact O-N 3.43Å
743I84.1Confident80.8Confident103 Ų10383.8 Ų83.853%0.52843%0.429SS..Hα-helixtrans-62.5-41.5176.3-68.8170.2000110.2I739 L746 R747I739-I743 HydrophobicContact CG2-CD1 3.69Å; I739-I743 HydrophobicContact CG2-CG1 4.24Å; I739-I743 WeakPolarHBondContact O-CB 3.4Å; I739-I743 VanDerWaalsContact O-CG1 3.31Å; I739-I743 WeakPolarHBondContact O-CG1 3.43Å; I739-I743 PolarHBondContact O-N 3.28Å; I743-L746 PolarHBondContact O-N 2.82Å; I743-R747 WeakPolarHBondContact O-CB 3.33Å; I743-R747 PolarHBondContact O-N 2.98Å
744T82.7Confident80.2Confident44 Ų4486.2 Ų86.227%0.2744%0.444SS..Hα-helixtrans-62.5-45.4176.6-64.90000111.2T740 Q741 L742 R747 D748T740-T744 WeakPolarHBondContact O-CB 3Å; T740-T744 PolarHBondContact O-N 3.1Å; T740-T744 PolarHBondContact O-OG1 2.85Å; Q741-T744 PolarHBondContact O-N 3.44Å; L742-T744 VanDerWaalsContact C-N 3.3Å; L742-T744 PolarHBondContact O-N 3.32Å; T744-R747 PolarHBondContact O-N 3.45Å; T744-D748 WeakPolarHBondContact O-CB 3.47Å; T744-D748 PolarHBondContact O-N 3.47Å
745Y77.8Confident78.6Confident45 Ų4587.4 Ų87.418%0.17645%0.447CS..Hα-helixtrans-59-47.9174.9171.5-103.2000111.8F10 Q741 L742 D748 Y749F10-Y745 HydrophobicContact CE2-CE1 4.48Å; F10-Y745 HydrophobicContact CZ-CE1 4.01Å; Q741-Y745 WeakPolarHBondContact O-CB 3.14Å; Q741-Y745 PolarHBondContact O-N 3.03Å; L742-Y745 PolarHBondContact O-N 2.85Å; Y745-D748 PolarHBondContact O-N 2.85Å; Y745-Y749 WeakPolarHBondContact O-CB 3.45Å; Y745-Y749 PolarHBondContact O-N 2.97Å
746L77.4Confident76.9Confident49 Ų4996.2 Ų96.226%0.25748%0.48SS..Hα-helixtrans-65.3-42.1177.6-70.2174.3000112F10 L742 I743 Y749 F750F10-L746 HydrophobicContact CZ-CD2 4.34Å; L742-L746 HydrophobicContact CD1-CD1 4.37Å; L742-L746 HydrophobicContact CD1-CG 4.41Å; L742-L746 HydrophobicContact CG-CD1 4.3Å; L742-L746 WeakPolarHBondContact O-CG 3.26Å; L742-L746 PolarHBondContact O-N 3.43Å; I743-L746 PolarHBondContact O-N 2.82Å; L746-Y749 WeakPolarHBondContact O-CB 3.48Å; L746-Y749 PolarHBondContact O-N 2.98Å; L746-F750 HydrophobicContact CD2-CE2 4.4Å; L746-F750 WeakPolarHBondContact O-CD2 3.34Å; L746-F750 PolarHBondContact O-N 3.43Å
747R82.5Confident74.9Confident128 Ų12898.4 Ų98.448%0.48349%0.491SS..Hα-helixtrans-58.9-51.5175.7178.7-159.669.6-160.70.7110.3I743 T744 Y749 F750 W751I743-R747 WeakPolarHBondContact O-CB 3.33Å; I743-R747 PolarHBondContact O-N 2.98Å; T744-R747 PolarHBondContact O-N 3.45Å; R747-Y749 PolarHBondContact O-N 2.92Å; R747-F750 PolarHBondContact O-N 3.1Å; R747-W751 CarbonylContact O-C 3.5Å; R747-W751 VanDerWaalsContact O-CA 3.32Å; R747-W751 WeakPolarHBondContact O-CA 2.98Å; R747-W751 WeakPolarHBondContact O-CB 3.47Å; R747-W751 PolarHBondContact O-N 3.27Å
748D78.4Confident72.8Confident60 Ų6098.2 Ų98.232%0.32149%0.492SS..Hα-helixtrans-68.2-25.9-177.3-66.3-9.7000111.4T744 Y745 P752T744-D748 WeakPolarHBondContact O-CB 3.47Å; T744-D748 PolarHBondContact O-N 3.47Å; Y745-D748 PolarHBondContact O-N 2.85Å; D748-P752 WeakPolarHBondContact O-CA 3.03Å
749Y72.4Confident70.8Confident63 Ų63101.8 Ų101.825%0.24752%0.515CS..Hα-helixtrans-70.8-50.4171.9-168.9-87.8000113L4 F10 R13 Y745 L746 R747 L763L4-Y749 HydrophobicContact CD1-CE1 3.47Å; L4-Y749 VanDerWaalsContact CD1-CE1 3.47Å; L4-Y749 VanDerWaalsContact CD1-OH 3.28Å; L4-Y749 WeakPolarHBondContact CD1-OH 3.45Å; L4-Y749 HydrophobicContact CD2-CD1 3.49Å; L4-Y749 VanDerWaalsContact CD2-CD1 3.49Å; L4-Y749 HydrophobicContact CD2-CE1 3.2Å; L4-Y749 HydrophobicContact CG-CE1 3.93Å; F10-Y749 HydrophobicContact CD2-CE1 4.42Å; F10-Y749 HydrophobicContact CD2-CE2 4.22Å; F10-Y749 HydrophobicContact CE2-CD1 4.27Å; F10-Y749 HydrophobicContact CE2-CD2 4.14Å; F10-Y749 HydrophobicContact CE2-CE1 4.22Å; F10-Y749 HydrophobicContact CE2-CE2 4.08Å; F10-Y749 HydrophobicContact CE2-CG 4.23Å; R13-Y749 PolarHBondContact NH2-OH 2.99Å; R13-Y749 VanDerWaalsContact NH2-OH 3.09Å; Y745-Y749 WeakPolarHBondContact O-CB 3.45Å; Y745-Y749 PolarHBondContact O-N 2.97Å; L746-Y749 WeakPolarHBondContact O-CB 3.48Å; L746-Y749 PolarHBondContact O-N 2.98Å; R747-Y749 PolarHBondContact O-N 2.92Å; Y749-L763 HydrophobicContact CE1-CD2 4.43Å
750F75.5Confident68.7Low69 Ų69104.9 Ų104.930%0.30354%0.537SS..Hα-helixtrans-78.6-30.8-178.1-74.5-66.8000113M1 L4 L746 R747M1-F750 HydrophobicContact CB-CZ 4.17Å; M1-F750 HydrophobicContact CG-CE2 4.42Å; M1-F750 HydrophobicContact CG-CZ 3.97Å; L4-F750 HydrophobicContact CD2-CE1 3.63Å; L4-F750 HydrophobicContact CD2-CE2 4.18Å; L4-F750 HydrophobicContact CD2-CZ 3.39Å; L746-F750 HydrophobicContact CD2-CE2 4.4Å; L746-F750 WeakPolarHBondContact O-CD2 3.34Å; L746-F750 PolarHBondContact O-N 3.43Å; R747-F750 PolarHBondContact O-N 3.1Å
751W78Confident66.6Low191 Ų191105.8 Ų105.872%0.72354%0.542SS*.SBendtrans-134.372.9-178.5-67.1-80.5000110R747R747-W751 CarbonylContact O-C 3.5Å; R747-W751 VanDerWaalsContact O-CA 3.32Å; R747-W751 WeakPolarHBondContact O-CA 2.98Å; R747-W751 WeakPolarHBondContact O-CB 3.47Å; R747-W751 PolarHBondContact O-N 3.27Å
752P74.5Confident64.8Low87 Ų87104.8 Ų104.857%0.56555%0.55SS**  trans-58.2138.3175.623.9-33.2000110D748 K754D748-P752 WeakPolarHBondContact O-CA 3.03Å; P752-K754 PolarHBondContact O-N 3.32Å
753P69.4Low63.6Low92 Ų92108.6 Ų108.660%0.59757%0.57SS**  trans-60.4128.217822.2-30.5000109.9N755P753-N755 VanDerWaalsContact C-N 3.33Å; P753-N755 PolarHBondContact O-N 3.15Å
754K65.3Low62.3Low203 Ų203108.2 Ų108.288%0.88357%0.573SS**  trans-69.286176.9-66.2-177.8-179.6179.80110.1P752P752-K754 PolarHBondContact O-N 3.32Å
755N51.9Low61.4Low124 Ų124114 Ų11466%0.66360%0.596SS**  trans-77.5131.6165.3-82.6-11.9000109.8P753 S757 S758P753-N755 VanDerWaalsContact C-N 3.33Å; P753-N755 PolarHBondContact O-N 3.15Å; N755-S757 PolarHBondContact O-N 3.16Å; N755-S758 PolarHBondContact O-N 3.15Å
756K51.7Low61.3Low223 Ų223113.9 Ų113.997%0.9760%0.596SS**THydrogen-bonded Turntrans-64.621.9-171.7-75.5-176.9174.8177.80116.6
757S49.6Very low61.6Low120 Ų120116.3 Ų116.384%0.83961%0.609SS**THydrogen-bonded Turntrans-138.1-7.6177.8-170.30000115.5N755N755-S757 PolarHBondContact O-N 3.16Å
758S43.8Very low62Low81 Ų81116.9 Ų116.957%0.56662%0.615SS**SBendtrans-107.2104.8173.855.90000108.4N755 T760N755-S758 PolarHBondContact O-N 3.15Å; S758-T760 PolarHBondContact O-N 2.74Å; S758-T760 VanDerWaalsContact O-N 3.09Å
759N40.4Very low62.5Low153 Ų153116.1 Ų116.182%0.81861%0.609SS**  trans-44.5121.2163.5-75-24.7000108.2T761N759-T761 PolarHBondContact O-N 2.78Å; N759-T761 PolarHBondContact O-OG1 2.65Å
760T40.3Very low63.1Low130 Ų130113.3 Ų113.380%0.79860%0.599SS**  trans-27.294.4175-510000111.2S758 A762S758-T760 PolarHBondContact O-N 2.74Å; S758-T760 VanDerWaalsContact O-N 3.09Å; T760-A762 HydrophobicContact CG2-CB 4.47Å; T760-A762 PolarHBondContact O-N 2.97Å
761T43.6Very low63.9Low102 Ų102112.4 Ų112.463%0.62660%0.595SS**  trans-76.480.8168.7-19.40000104.9N759 L763 T764N759-T761 PolarHBondContact O-N 2.78Å; N759-T761 PolarHBondContact O-OG1 2.65Å; T761-L763 PolarHBondContact O-N 3.24Å; T761-T764 HydrophobicContact CG2-CG2 3.94Å; T761-T764 WeakPolarHBondContact CG2-OG1 3.07Å
762A44.4Very low64.6Low73 Ų73104.2 Ų104.260%0.60357%0.565SS**  trans-54.2102.1177.400000108.3T760 T764T760-A762 HydrophobicContact CG2-CB 4.47Å; T760-A762 PolarHBondContact O-N 2.97Å; A762-T764 WeakPolarHBondContact O-CA 3.42Å; A762-T764 PolarHBondContact O-N 3.2Å
763L52.1Low65.3Low141 Ų141101.3 Ų101.374%0.73854%0.543SS*.SBendtrans25.748.3171.5-68.5169.2000113.8Y749 T761 E765Y749-L763 HydrophobicContact CE1-CD2 4.43Å; T761-L763 PolarHBondContact O-N 3.24Å; L763-E765 PolarHBondContact O-N 3.37Å; L763-E765 VanDerWaalsContact O-N 3.12Å
764T56.6Low66.3Low95 Ų9597.2 Ų97.258%0.58352%0.516SS*.PPolyproline II helixtrans-64.5127.5-171.538.50000106.5T761 A762 R766T761-T764 HydrophobicContact CG2-CG2 3.94Å; T761-T764 WeakPolarHBondContact CG2-OG1 3.07Å; A762-T764 WeakPolarHBondContact O-CA 3.42Å; A762-T764 PolarHBondContact O-N 3.2Å; T764-R766 PolarHBondContact O-N 3.34Å
765E64.3Low67.6Low164 Ų16490.4 Ų90.477%0.76649%0.485SS*.PPolyproline II helixtrans-51.2120.9176.1-173.2179.4173.400107.8L763 D767 K771L763-E765 PolarHBondContact O-N 3.37Å; L763-E765 VanDerWaalsContact O-N 3.12Å; E765-D767 PolarHBondContact O-N 2.96Å; E765-K771 IonicContact OE1-NZ 3.36Å; E765-K771 PolarHBondContact OE1-NZ 2.84Å
766R76.1Confident69.5Low44 Ų4484.5 Ų84.517%0.16645%0.453CS..PPolyproline II helixtrans-57.4140.1-178.1-80.1166.764.596.1-8.1109.5D9 T764 K768 M770 K771 T774D9-R766 IonicContact OD1-NE 3.98Å; D9-R766 VanDerWaalsContact OD2-CD 3.26Å; D9-R766 WeakPolarHBondContact OD2-CD 3.44Å; D9-R766 IonicContact OD2-NE 3.34Å; D9-R766 PolarHBondContact OD2-NE 3.25Å; D9-R766 VanDerWaalsContact OD2-NE 3.12Å; T764-R766 PolarHBondContact O-N 3.34Å; R766-K768 PolarHBondContact O-N 3.33Å; R766-M770 VanDerWaalsContact NH2-CG 3.3Å; R766-K771 HydrophobicContact CB-CG 4.13Å; R766-K771 WeakPolarHBondContact O-CE 3.47Å; R766-T774 PolarHBondContact NH2-OG1 3Å
767D83.6Confident71.2Confident100 Ų10075.3 Ų75.354%0.53542%0.415SS..PPolyproline II helixtrans-50.2138.5175.4-179.718.7000110.9E765 E769 M770 K771E765-D767 PolarHBondContact O-N 2.96Å; D767-E769 PolarHBondContact O-N 2.79Å; D767-E769 PolarHBondContact OD1-N 3.46Å; D767-M770 HydrophobicContact CB-CB 4.19Å; D767-M770 WeakPolarHBondContact O-CA 3.46Å; D767-M770 VanDerWaalsContact O-CB 3.22Å; D767-M770 WeakPolarHBondContact O-CB 3.34Å; D767-M770 PolarHBondContact O-N 2.99Å; D767-K771 PolarHBondContact O-N 3.35Å
768K90.2Very high73.1Confident139 Ų13969.6 Ų69.660%0.60438%0.375SS*.Hα-helixtrans-57.5-41.2-178.5-176.3-179.2177.6-177.10110.9R766 M770 K771 L772R766-K768 PolarHBondContact O-N 3.33Å; K768-M770 PolarHBondContact O-N 2.85Å; K768-K771 PolarHBondContact O-N 3.43Å; K768-L772 HydrophobicContact CG-CD1 4.22Å; K768-L772 WeakPolarHBondContact O-CG 3.33Å; K768-L772 PolarHBondContact O-N 2.67Å
769E89.4Confident75.3Confident44 Ų4466.1 Ų66.121%0.20635%0.349CS..Hα-helixtrans-60.9-36.4175.6166.4154.7-155.400111.7V44 R47 D767 R773V44-E769 HydrophobicContact CG1-CG 3.69Å; V44-E769 HydrophobicContact CG2-CB 4.13Å; V44-E769 HydrophobicContact CG2-CG 4.04Å; R47-E769 IonicContact CZ-OE2 3.42Å; R47-E769 IonicContact NH1-OE1 3.24Å; R47-E769 PolarHBondContact NH1-OE1 3.41Å; R47-E769 IonicContact NH1-OE2 3.74Å; R47-E769 PolarHBondContact NH1-OE2 3.39Å; D767-E769 PolarHBondContact O-N 2.79Å; D767-E769 PolarHBondContact OD1-N 3.46Å; E769-R773 WeakPolarHBondContact O-CG 3.47Å; E769-R773 PolarHBondContact O-N 3.17Å; E769-R773 VanDerWaalsContact O-N 3.15Å; E769-R773 PolarHBondContact O-NE 3.44Å
770M85.2Confident77.6Confident5 Ų559 Ų593%0.02531%0.312CS..Hα-helixtrans-67.3-45.2175.9-17159.2-148.400112.1V615 P616 L619 R766 D767 K768 L772 R773 T774V615-M770 HydrophobicContact CB-CE 3.77Å; V615-M770 HydrophobicContact CG1-CE 3.17Å; V615-M770 HydrophobicContact CG2-CE 3.93Å; P616-M770 WeakPolarHBondContact CD-SD 3.38Å; P616-M770 HydrophobicContact CG-CG 4.32Å; P616-M770 HydrophobicContact CG-SD 3.89Å; L619-M770 HydrophobicContact CD1-CE 4.42Å; R766-M770 VanDerWaalsContact NH2-CG 3.3Å; D767-M770 HydrophobicContact CB-CB 4.19Å; D767-M770 WeakPolarHBondContact O-CA 3.46Å; D767-M770 VanDerWaalsContact O-CB 3.22Å; D767-M770 WeakPolarHBondContact O-CB 3.34Å; D767-M770 PolarHBondContact O-N 2.99Å; K768-M770 PolarHBondContact O-N 2.85Å; M770-L772 VanDerWaalsContact C-N 3.32Å; M770-L772 PolarHBondContact O-N 3.4Å; M770-R773 PolarHBondContact O-N 3.47Å; M770-R773 PolarHBondContact SD-NH2 3.49Å; M770-T774 PolarHBondContact O-N 2.88Å; M770-T774 PolarHBondContact O-OG1 3.28Å
771K91Very high79.7Confident49 Ų4952.9 Ų52.921%0.21327%0.274CS..Hα-helixtrans-59.1-42.8176.5-64.4179.4176.5175.70111.5D9 E765 R766 D767 K768 R773 T774 R775D9-K771 HydrophobicContact CB-CD 4.46Å; D9-K771 HydrophobicContact CB-CG 4.17Å; D9-K771 WeakPolarHBondContact OD1-CA 3.41Å; E765-K771 IonicContact OE1-NZ 3.36Å; E765-K771 PolarHBondContact OE1-NZ 2.84Å; R766-K771 HydrophobicContact CB-CG 4.13Å; R766-K771 WeakPolarHBondContact O-CE 3.47Å; D767-K771 PolarHBondContact O-N 3.35Å; K768-K771 PolarHBondContact O-N 3.43Å; K771-R773 PolarHBondContact O-N 2.81Å; K771-T774 WeakPolarHBondContact O-CB 3.34Å; K771-T774 PolarHBondContact O-N 2.77Å; K771-R775 WeakPolarHBondContact O-CG 3.41Å; K771-R775 PolarHBondContact O-N 3.35Å; K771-R775 VanDerWaalsContact O-N 3.1Å
772L93.1Very high81.8Confident19 Ų1949 Ų4910%0.09925%0.249CC..Hα-helixtrans-63-40.4177.7-70.3168.5000112.4E40 E41 V44 K768 M770 R775 V776E40-L772 HydrophobicContact CB-CD1 3.94Å; E41-L772 HydrophobicContact CB-CD2 4.02Å; E41-L772 HydrophobicContact CG-CD2 4.45Å; V44-L772 HydrophobicContact CB-CB 4.5Å; V44-L772 HydrophobicContact CG1-CB 4.47Å; V44-L772 HydrophobicContact CG2-CB 4.29Å; V44-L772 HydrophobicContact CG2-CD1 3.69Å; K768-L772 HydrophobicContact CG-CD1 4.22Å; K768-L772 WeakPolarHBondContact O-CG 3.33Å; K768-L772 PolarHBondContact O-N 2.67Å; M770-L772 VanDerWaalsContact C-N 3.32Å; M770-L772 PolarHBondContact O-N 3.4Å; L772-R775 WeakPolarHBondContact O-CB 3.09Å; L772-R775 PolarHBondContact O-N 3.31Å; L772-V776 PolarHBondContact O-N 3.21Å
773R90.4Very high83.8Confident27 Ų2746 Ų4610%0.10222%0.223CC..Hα-helixtrans-66.2-40.8173.9-70.2179.3-70.2152-9.9112.5V44 M612 S614 E769 M770 K771 R775 V776 L777V44-R773 HydrophobicContact CG1-CG 3.54Å; M612-R773 WeakPolarHBondContact CE-O 3.38Å; S614-R773 PolarHBondContact O-NH1 3.35Å; E769-R773 WeakPolarHBondContact O-CG 3.47Å; E769-R773 PolarHBondContact O-N 3.17Å; E769-R773 VanDerWaalsContact O-N 3.15Å; E769-R773 PolarHBondContact O-NE 3.44Å; M770-R773 PolarHBondContact O-N 3.47Å; M770-R773 PolarHBondContact SD-NH2 3.49Å; K771-R773 PolarHBondContact O-N 2.81Å; R773-R775 PolarHBondContact O-N 2.99Å; R773-V776 PolarHBondContact O-N 3.48Å; R773-L777 PolarHBondContact O-N 3.2Å
774T89.1Confident85.3Confident6 Ų640 Ų404%0.03720%0.195CC..Hα-helixtrans-57.9-36.3174.4-43.10000111.4D9 N12 R13 R766 M770 K771 L777 C778D9-T774 PolarHBondContact OD1-OG1 3.11Å; N12-T774 HydrophobicContact CB-CG2 3.89Å; R13-T774 HydrophobicContact CG-CG2 3.61Å; R766-T774 PolarHBondContact NH2-OG1 3Å; M770-T774 PolarHBondContact O-N 2.88Å; M770-T774 PolarHBondContact O-OG1 3.28Å; K771-T774 WeakPolarHBondContact O-CB 3.34Å; K771-T774 PolarHBondContact O-N 2.77Å; T774-L777 WeakPolarHBondContact O-CB 3.2Å; T774-L777 PolarHBondContact O-N 2.71Å; T774-C778 WeakPolarHBondContact O-CB 3.48Å; T774-C778 PolarHBondContact O-N 3.5Å
775R93Very high86.4Confident59 Ų5938.9 Ų38.922%0.22319%0.191CC..Hα-helixtrans-64.6-45.9177.6-71.3169.357.690.1-6.3112.7E41 K771 L772 R773 L777 C778 R779 F807 Q811E41-R775 IonicContact OE2-CZ 3.95Å; E41-R775 IonicContact OE2-NE 3.18Å; E41-R775 PolarHBondContact OE2-NE 3.23Å; E41-R775 IonicContact OE2-NH2 3.47Å; K771-R775 WeakPolarHBondContact O-CG 3.41Å; K771-R775 PolarHBondContact O-N 3.35Å; K771-R775 VanDerWaalsContact O-N 3.1Å; L772-R775 WeakPolarHBondContact O-CB 3.09Å; L772-R775 PolarHBondContact O-N 3.31Å; R773-R775 PolarHBondContact O-N 2.99Å; R775-L777 VanDerWaalsContact C-N 3.26Å; R775-L777 PolarHBondContact O-N 3.19Å; R775-C778 PolarHBondContact O-N 2.79Å; R775-R779 PolarHBondContact O-N 3.44Å; R775-R779 PolarHBondContact O-NH1 2.84Å; R775-F807 HydrophobicContact CB-CZ 4.15Å; R775-F807 HydrophobicContact CG-CZ 4.43Å; R775-Q811 VanDerWaalsContact NH1-CG 3.33Å
776V91.6Very high87.1Confident0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-59.9-42.4174.9-179.30000110.1F29 L33 E41 V45 M612 L772 R773 R779 T780F29-V776 HydrophobicContact CD2-CG1 4.1Å; F29-V776 HydrophobicContact CE2-CG1 3.63Å; L33-V776 HydrophobicContact CD2-CG1 3.83Å; L33-V776 HydrophobicContact CD2-CG2 4.41Å; L33-V776 HydrophobicContact CG-CG1 4.4Å; E41-V776 HydrophobicContact CG-CG2 3.43Å; E41-V776 VanDerWaalsContact CG-CG2 3.43Å; E41-V776 WeakPolarHBondContact OE1-CG2 3.27Å; V45-V776 HydrophobicContact CG2-CG2 4.04Å; M612-V776 HydrophobicContact CE-CB 3.69Å; M612-V776 HydrophobicContact CE-CG1 3.72Å; L772-V776 PolarHBondContact O-N 3.21Å; R773-V776 PolarHBondContact O-N 3.48Å; V776-R779 PolarHBondContact O-N 2.94Å; V776-T780 WeakPolarHBondContact O-CB 3.41Å; V776-T780 PolarHBondContact O-N 2.74Å; V776-T780 PolarHBondContact O-OG1 2.91Å
777L88.5Confident87.1Confident31 Ų3132.4 Ų32.416%0.16217%0.17CC..Hα-helixtrans-60.6-54.8177-179.560.7000109.6A16 Y24 M612 R773 T774 R775 R779 T780 V781A16-L777 HydrophobicContact CB-CD2 3.89Å; A16-L777 HydrophobicContact CB-CG 4.1Å; Y24-L777 HydrophobicContact CD1-CD1 4.36Å; Y24-L777 HydrophobicContact CE1-CD1 3.9Å; M612-L777 HydrophobicContact CE-CB 3.72Å; M612-L777 VanDerWaalsContact CE-N 3.34Å; R773-L777 PolarHBondContact O-N 3.2Å; T774-L777 WeakPolarHBondContact O-CB 3.2Å; T774-L777 PolarHBondContact O-N 2.71Å; R775-L777 VanDerWaalsContact C-N 3.26Å; R775-L777 PolarHBondContact O-N 3.19Å; L777-R779 VanDerWaalsContact C-N 3.35Å; L777-R779 PolarHBondContact O-N 3.37Å; L777-T780 WeakPolarHBondContact O-CA 3.29Å; L777-T780 VanDerWaalsContact O-CB 3.25Å; L777-T780 WeakPolarHBondContact O-CB 3.22Å; L777-T780 PolarHBondContact O-N 3.12Å; L777-V781 HydrophobicContact CD1-CG2 4.26Å; L777-V781 HydrophobicContact CG-CG2 4.16Å; L777-V781 WeakPolarHBondContact O-CG2 3Å; L777-V781 PolarHBondContact O-N 3.37Å
778C89.1Confident86.4Confident0 Ų033.5 Ų33.50%017%0.172CC..Hα-helixtrans-51.5-48.8178.7-175.30000112.6N12 T774 R775 T780 V781 L782 F807N12-C778 HydrophobicContact CB-CB 3.82Å; N12-C778 PolarHBondContact OD1-SG 2.79Å; T774-C778 WeakPolarHBondContact O-CB 3.48Å; T774-C778 PolarHBondContact O-N 3.5Å; R775-C778 PolarHBondContact O-N 2.79Å; C778-T780 VanDerWaalsContact C-N 3.32Å; C778-T780 PolarHBondContact O-N 2.72Å; C778-V781 WeakPolarHBondContact O-CB 3.28Å; C778-V781 PolarHBondContact O-N 3.5Å; C778-L782 WeakPolarHBondContact O-CG 3.48Å; C778-L782 PolarHBondContact O-N 3.43Å; C778-F807 HydrophobicContact CB-CE2 4.18Å
779R90.4Very high85.2Confident7 Ų733.2 Ų33.23%0.02617%0.172CC..Hα-helixtrans-58.3-43.2174.6-75.5-166.2-151.180.2-8.8112.8A32 E41 R775 V776 L777 V781 L782 L783 F807A32-R779 HydrophobicContact CB-CB 3.84Å; E41-R779 IonicContact OE1-CZ 3.91Å; E41-R779 IonicContact OE1-NH1 2.83Å; E41-R779 PolarHBondContact OE1-NH1 2.94Å; E41-R779 IonicContact OE1-NH2 3.12Å; E41-R779 PolarHBondContact OE1-NH2 3.13Å; E41-R779 IonicContact OE2-CZ 3.78Å; E41-R779 IonicContact OE2-NH1 3.81Å; E41-R779 PolarHBondContact OE2-NH1 3Å; E41-R779 IonicContact OE2-NH2 2.6Å; E41-R779 PolarHBondContact OE2-NH2 2.75Å; R775-R779 PolarHBondContact O-N 3.44Å; R775-R779 PolarHBondContact O-NH1 2.84Å; V776-R779 PolarHBondContact O-N 2.94Å; L777-R779 VanDerWaalsContact C-N 3.35Å; L777-R779 PolarHBondContact O-N 3.37Å; R779-V781 VanDerWaalsContact C-N 3.32Å; R779-V781 PolarHBondContact O-N 2.9Å; R779-L782 PolarHBondContact O-N 2.99Å; R779-L783 WeakPolarHBondContact O-CG 3.02Å; R779-L783 PolarHBondContact O-N 3.45Å; R779-F807 HydrophobicContact CB-CD2 4.36Å; R779-F807 HydrophobicContact CB-CE2 4.5Å; R779-F807 HydrophobicContact CG-CB 4.26Å; R779-F807 HydrophobicContact CG-CD1 3.73Å; R779-F807 HydrophobicContact CG-CD2 3.29Å; R779-F807 HydrophobicContact CG-CE1 3.87Å; R779-F807 HydrophobicContact CG-CE2 3.4Å; R779-F807 HydrophobicContact CG-CG 3.44Å; R779-F807 VanDerWaalsContact CG-CG 3.44Å; R779-F807 HydrophobicContact CG-CZ 3.69Å; R779-F807 VanDerWaalsContact NE-CD1 3.27Å; R779-F807 VanDerWaalsContact NH2-CE1 3.26Å
780T88.1Confident84.4Confident5 Ų534 Ų343%0.03118%0.175CC..Hα-helixtrans-60.5-44.1177.9-55.70000111Y24 F29 A32 V776 L777 C778 L783 G784Y24-T780 HydrophobicContact CD1-CG2 4.31Å; F29-T780 HydrophobicContact CB-CG2 3.98Å; A32-T780 VanDerWaalsContact CB-OG1 3.32Å; A32-T780 WeakPolarHBondContact CB-OG1 3.44Å; V776-T780 WeakPolarHBondContact O-CB 3.41Å; V776-T780 PolarHBondContact O-N 2.74Å; V776-T780 PolarHBondContact O-OG1 2.91Å; L777-T780 WeakPolarHBondContact O-CA 3.29Å; L777-T780 VanDerWaalsContact O-CB 3.25Å; L777-T780 WeakPolarHBondContact O-CB 3.22Å; L777-T780 PolarHBondContact O-N 3.12Å; C778-T780 VanDerWaalsContact C-N 3.32Å; C778-T780 PolarHBondContact O-N 2.72Å; T780-L783 PolarHBondContact O-N 3.09Å; T780-G784 PolarHBondContact O-N 3.3Å; T780-G784 VanDerWaalsContact O-N 3.14Å
781V85.2Confident83.7Confident1 Ų134.1 Ų34.11%0.00618%0.178CC..Hα-helixtrans-63.6-45.5178.9-1650000110.7A16 A19 Y24 L777 C778 R779 L783 G784 S785A16-V781 HydrophobicContact CB-CG2 4.08Å; A19-V781 HydrophobicContact CB-CG1 3.15Å; A19-V781 WeakPolarHBondContact O-CG1 3.46Å; Y24-V781 HydrophobicContact CE1-CB 3.99Å; Y24-V781 HydrophobicContact CE1-CG1 4.07Å; Y24-V781 HydrophobicContact CE1-CG2 3.41Å; Y24-V781 VanDerWaalsContact CE1-CG2 3.41Å; Y24-V781 WeakPolarHBondContact OH-CG1 3.32Å; Y24-V781 WeakPolarHBondContact OH-CG2 3.27Å; L777-V781 HydrophobicContact CD1-CG2 4.26Å; L777-V781 HydrophobicContact CG-CG2 4.16Å; L777-V781 WeakPolarHBondContact O-CG2 3Å; L777-V781 PolarHBondContact O-N 3.37Å; C778-V781 WeakPolarHBondContact O-CB 3.28Å; C778-V781 PolarHBondContact O-N 3.5Å; R779-V781 VanDerWaalsContact C-N 3.32Å; R779-V781 PolarHBondContact O-N 2.9Å; V781-L783 VanDerWaalsContact C-N 3.32Å; V781-L783 PolarHBondContact O-N 3.38Å; V781-G784 CarbonylContact O-C 3.57Å; V781-G784 PolarHBondContact O-N 2.9Å; V781-S785 PolarHBondContact O-N 3.17Å
782L87.5Confident82.6Confident21 Ų2136.2 Ų36.211%0.1119%0.188CC..Hα-helixtrans-63.4-38.9-179-70.8171000111.5I15 C778 R779 S785 V803 F807 L810I15-L782 HydrophobicContact CG2-CD2 3.96Å; I15-L782 HydrophobicContact CG2-CG 4.25Å; C778-L782 WeakPolarHBondContact O-CG 3.48Å; C778-L782 PolarHBondContact O-N 3.43Å; R779-L782 PolarHBondContact O-N 2.99Å; L782-S785 WeakPolarHBondContact O-CB 3.09Å; L782-S785 PolarHBondContact O-N 2.96Å; L782-S785 PolarHBondContact O-OG 3.14Å; L782-V803 HydrophobicContact CB-CG1 3.7Å; L782-F807 HydrophobicContact CD1-CB 3.9Å; L782-F807 HydrophobicContact CD1-CD2 4.03Å; L782-F807 HydrophobicContact CD1-CG 4.48Å; L782-L810 HydrophobicContact CD1-CD1 4.46Å
783L84.5Confident81.3Confident9 Ų936.8 Ų36.85%0.04719%0.19CC..Hα-helixtrans-61.2-45.4173-74.1167.7000111.7Y28 Q31 A32 M35 R779 T780 V781 S785 V786 V803Y28-L783 HydrophobicContact CD1-CB 3.85Å; Y28-L783 HydrophobicContact CG-CB 4.11Å; Y28-L783 WeakPolarHBondContact O-CD1 3.43Å; Q31-L783 HydrophobicContact CB-CD1 3.99Å; Q31-L783 HydrophobicContact CG-CD1 4.03Å; A32-L783 HydrophobicContact CB-CD1 4.11Å; M35-L783 HydrophobicContact SD-CD1 3.83Å; M35-L783 HydrophobicContact SD-CD2 3.95Å; M35-L783 HydrophobicContact SD-CG 4.31Å; R779-L783 WeakPolarHBondContact O-CG 3.02Å; R779-L783 PolarHBondContact O-N 3.45Å; T780-L783 PolarHBondContact O-N 3.09Å; V781-L783 VanDerWaalsContact C-N 3.32Å; V781-L783 PolarHBondContact O-N 3.38Å; L783-S785 PolarHBondContact O-N 3.04Å; L783-V786 PolarHBondContact O-N 2.96Å; L783-V803 HydrophobicContact CD2-CB 4.07Å; L783-V803 HydrophobicContact CD2-CG1 3.86Å; L783-V803 HydrophobicContact CD2-CG2 4.27Å; L783-V803 HydrophobicContact CG-CG1 3.94Å
784G83.9Confident80.2Confident14 Ų1436.4 Ų36.414%0.14419%0.189CC..Hα-helixtrans-73.2-7.2177.300000115T780 V781T780-G784 PolarHBondContact O-N 3.3Å; T780-G784 VanDerWaalsContact O-N 3.14Å; V781-G784 CarbonylContact O-C 3.57Å; V781-G784 PolarHBondContact O-N 2.9Å
785S81.3Confident79.1Confident73 Ų7336.2 Ų36.251%0.5119%0.189SC..Hα-helixtrans-82.2-17.3175.476.30000113V781 L782 L783V781-S785 PolarHBondContact O-N 3.17Å; L782-S785 WeakPolarHBondContact O-CB 3.09Å; L782-S785 PolarHBondContact O-N 2.96Å; L782-S785 PolarHBondContact O-OG 3.14Å; L783-S785 PolarHBondContact O-N 3.04Å
786V79Confident78.1Confident16 Ų1637.1 Ų37.110%0.09720%0.198CC..SBendtrans-86.8125171.7-171.20000107.9L783 F790 A791 T799 V803L783-V786 PolarHBondContact O-N 2.96Å; V786-F790 HydrophobicContact CG1-CD1 3.71Å; V786-F790 HydrophobicContact CG1-CE1 4.43Å; V786-A791 HydrophobicContact CG1-CB 4.15Å; V786-T799 HydrophobicContact CB-CG2 4.1Å; V786-T799 HydrophobicContact CG1-CG2 3.83Å; V786-T799 HydrophobicContact CG2-CG2 4.15Å; V786-V803 HydrophobicContact CG2-CG2 3.74Å
787S75.5Confident77.1Confident56 Ų5640.1 Ų40.139%0.39221%0.212SC..  trans-65.4150.5178.795.20000111E789 F790 A791S787-E789 VanDerWaalsContact C-N 3.29Å; S787-E789 VanDerWaalsContact CB-OE2 3.27Å; S787-E789 WeakPolarHBondContact CB-OE2 3.36Å; S787-E789 PolarHBondContact O-N 3.05Å; S787-E789 PolarHBondContact OG-OE2 3.12Å; S787-F790 PolarHBondContact O-N 3.17Å; S787-F790 WeakPolarHBondContact OG-CB 3.22Å; S787-F790 PolarHBondContact OG-N 2.99Å; S787-A791 WeakPolarHBondContact O-CB 3.41Å; S787-A791 PolarHBondContact O-N 3.38Å
788E68.2Low76.3Confident122 Ų12238.8 Ų38.857%0.5721%0.205SC*.Hα-helixtrans-62.5-38.4-179.5-170.7177.1170.200111.4F790 A791 Q792E788-F790 PolarHBondContact O-N 3.16Å; E788-A791 PolarHBondContact O-N 3.2Å; E788-Q792 WeakPolarHBondContact O-CB 3.27Å; E788-Q792 VanDerWaalsContact O-CG 3.25Å; E788-Q792 WeakPolarHBondContact O-CG 3.39Å; E788-Q792 PolarHBondContact O-N 3.04Å
789E65.2Low75.8Confident133 Ų13339.2 Ų39.262%0.62121%0.208SC*.Hα-helixtrans-66.2-40.2178.6-50.881.4-177.500111.6S787 Q792 F793S787-E789 VanDerWaalsContact C-N 3.29Å; S787-E789 VanDerWaalsContact CB-OE2 3.27Å; S787-E789 WeakPolarHBondContact CB-OE2 3.36Å; S787-E789 PolarHBondContact O-N 3.05Å; S787-E789 PolarHBondContact OG-OE2 3.12Å; E789-Q792 PolarHBondContact O-N 3.44Å; E789-F793 PolarHBondContact O-N 3.01Å; E789-F793 VanDerWaalsContact O-N 3.12Å
790F71.9Confident75.5Confident60 Ų6040 Ų4026%0.26321%0.211SC..Hα-helixtrans-71.9-38.7176.9-176.1-122.3000111.5V689 F693 V786 S787 E788 Q792 F793 L794V689-F790 HydrophobicContact CG1-CZ 3.78Å; V689-F790 HydrophobicContact CG2-CZ 4.43Å; F693-F790 AromaticContact CE2-CE1 3.8Å; F693-F790 HydrophobicContact CE2-CE1 3.8Å; F693-F790 HydrophobicContact CE2-CZ 4.19Å; F693-F790 HydrophobicContact CZ-CE1 4.1Å; V786-F790 HydrophobicContact CG1-CD1 3.71Å; V786-F790 HydrophobicContact CG1-CE1 4.43Å; S787-F790 PolarHBondContact O-N 3.17Å; S787-F790 WeakPolarHBondContact OG-CB 3.22Å; S787-F790 PolarHBondContact OG-N 2.99Å; E788-F790 PolarHBondContact O-N 3.16Å; F790-Q792 VanDerWaalsContact C-N 3.33Å; F790-Q792 PolarHBondContact O-N 3.07Å; F790-F793 WeakPolarHBondContact O-CB 3.33Å; F790-F793 PolarHBondContact O-N 3.3Å; F790-L794 HydrophobicContact CD1-CD1 4.02Å; F790-L794 HydrophobicContact CE1-CD1 3.45Å; F790-L794 VanDerWaalsContact CE1-CD1 3.45Å; F790-L794 HydrophobicContact CE1-CG 4.29Å; F790-L794 HydrophobicContact CE2-CD1 4.14Å; F790-L794 HydrophobicContact CE2-CD2 4.34Å; F790-L794 HydrophobicContact CE2-CG 4.11Å; F790-L794 HydrophobicContact CZ-CD1 3.52Å; F790-L794 HydrophobicContact CZ-CD2 4.22Å; F790-L794 HydrophobicContact CZ-CG 3.98Å; F790-L794 PolarHBondContact O-N 3.37Å
791A71Confident75.2Confident9 Ų943.2 Ų43.27%0.07422%0.222CC..Hα-helixtrans-63-39.4173.200000111.9V786 S787 E788 F793 L794 G795 T799V786-A791 HydrophobicContact CG1-CB 4.15Å; S787-A791 WeakPolarHBondContact O-CB 3.41Å; S787-A791 PolarHBondContact O-N 3.38Å; E788-A791 PolarHBondContact O-N 3.2Å; A791-F793 VanDerWaalsContact C-N 3.3Å; A791-F793 PolarHBondContact O-N 2.99Å; A791-L794 PolarHBondContact O-N 3.15Å; A791-G795 CarbonylContact O-C 3.42Å; A791-G795 WeakPolarHBondContact O-CA 3.43Å; A791-G795 PolarHBondContact O-N 3.21Å; A791-T799 WeakPolarHBondContact CA-OG1 3.28Å; A791-T799 HydrophobicContact CB-CG2 4.02Å
792Q68.8Low75.3Confident93 Ų9343.2 Ų43.244%0.43522%0.223SC..Hα-helixtrans-62.9-35.4173.8-78.8174.95.300112.3V125 E788 E789 F790V125-Q792 WeakPolarHBondContact CG2-O 3.44Å; E788-Q792 WeakPolarHBondContact O-CB 3.27Å; E788-Q792 VanDerWaalsContact O-CG 3.25Å; E788-Q792 WeakPolarHBondContact O-CG 3.39Å; E788-Q792 PolarHBondContact O-N 3.04Å; E789-Q792 PolarHBondContact O-N 3.44Å; F790-Q792 VanDerWaalsContact C-N 3.33Å; F790-Q792 PolarHBondContact O-N 3.07Å
793F64.3Low75.4Confident31 Ų3142.6 Ų42.614%0.13622%0.22CC..Hα-helixtrans-68.7-44.3175.3-175.8-87.4000112.5V125 L710 E789 F790 A791V125-F793 WeakPolarHBondContact CG2-O 3.36Å; L710-F793 HydrophobicContact CB-CE1 4Å; L710-F793 HydrophobicContact CB-CZ 3.74Å; L710-F793 HydrophobicContact CD1-CD2 4.37Å; L710-F793 HydrophobicContact CD1-CE1 4.15Å; L710-F793 HydrophobicContact CD1-CE2 3.83Å; L710-F793 HydrophobicContact CD1-CZ 3.71Å; L710-F793 HydrophobicContact CD2-CD1 3.86Å; L710-F793 HydrophobicContact CD2-CE1 3.5Å; L710-F793 VanDerWaalsContact CD2-CE1 3.5Å; L710-F793 HydrophobicContact CD2-CZ 3.93Å; L710-F793 HydrophobicContact CG-CE1 4.06Å; L710-F793 HydrophobicContact CG-CZ 3.97Å; E789-F793 PolarHBondContact O-N 3.01Å; E789-F793 VanDerWaalsContact O-N 3.12Å; F790-F793 WeakPolarHBondContact O-CB 3.33Å; F790-F793 PolarHBondContact O-N 3.3Å; A791-F793 VanDerWaalsContact C-N 3.3Å; A791-F793 PolarHBondContact O-N 2.99Å
794L69.1Low75.7Confident18 Ų1843.1 Ų43.19%0.09422%0.224CC..Hα-helixtrans-75.4-31.7-179.6-68177.5000113F693 L695 F790 A791 T798F693-L794 HydrophobicContact CD1-CD1 3.75Å; F693-L794 HydrophobicContact CD2-CD1 3.77Å; F693-L794 HydrophobicContact CE1-CD1 3.71Å; F693-L794 HydrophobicContact CE2-CD1 3.72Å; F693-L794 HydrophobicContact CG-CD1 3.79Å; F693-L794 HydrophobicContact CZ-CD1 3.69Å; L695-L794 HydrophobicContact CD1-CD2 4.38Å; F790-L794 HydrophobicContact CD1-CD1 4.02Å; F790-L794 HydrophobicContact CE1-CD1 3.45Å; F790-L794 VanDerWaalsContact CE1-CD1 3.45Å; F790-L794 HydrophobicContact CE1-CG 4.29Å; F790-L794 HydrophobicContact CE2-CD1 4.14Å; F790-L794 HydrophobicContact CE2-CD2 4.34Å; F790-L794 HydrophobicContact CE2-CG 4.11Å; F790-L794 HydrophobicContact CZ-CD1 3.52Å; F790-L794 HydrophobicContact CZ-CD2 4.22Å; F790-L794 HydrophobicContact CZ-CG 3.98Å; F790-L794 PolarHBondContact O-N 3.37Å; A791-L794 PolarHBondContact O-N 3.15Å; L794-T798 HydrophobicContact CB-CG2 4.13Å; L794-T798 VanDerWaalsContact O-CB 3.29Å; L794-T798 WeakPolarHBondContact O-CB 3.39Å; L794-T798 PolarHBondContact O-OG1 3.49Å; L794-T798 VanDerWaalsContact O-OG1 3.08Å
795G65.5Low76Confident2 Ų245.7 Ų45.72%0.02124%0.239CC..  trans94.8150.2-165.500000112.9E362 A791 T799E362-G795 WeakPolarHBondContact OE1-CA 3.4Å; A791-G795 CarbonylContact O-C 3.42Å; A791-G795 WeakPolarHBondContact O-CA 3.43Å; A791-G795 PolarHBondContact O-N 3.21Å; G795-T799 VanDerWaalsContact O-CB 3.31Å; G795-T799 WeakPolarHBondContact O-CB 3.44Å; G795-T799 PolarHBondContact O-N 3.31Å; G795-T799 PolarHBondContact O-OG1 3.34Å
796N71.7Confident76.5Confident78 Ų7843.8 Ų43.842%0.41722%0.224SC..Hα-helixtrans-68.1-38.7-173.5-71.4-32.8000112E362 T799 R800E362-N796 WeakPolarHBondContact O-CB 3.28Å; E362-N796 PolarHBondContact O-N 3.06Å; E362-N796 VanDerWaalsContact O-N 3.08Å; E362-N796 PolarHBondContact OE1-N 2.85Å; N796-T799 PolarHBondContact O-N 3.12Å; N796-R800 WeakPolarHBondContact O-CB 3.38Å; N796-R800 PolarHBondContact O-N 3.43Å
797E70.5Confident77.3Confident64 Ų6443 Ų4330%0.29922%0.22SC..Hα-helixtrans-71.1-39.2-178.8-178.558.1-161.100111.6E362 R800 R801E362-E797 PolarHBondContact OE1-N 3.2Å; E362-E797 VanDerWaalsContact OE1-N 3.08Å; E797-R800 WeakPolarHBondContact O-CB 3.48Å; E797-R800 PolarHBondContact O-N 3Å; E797-R800 IonicContact OE1-CZ 2.73Å; E797-R800 IonicContact OE1-NE 3.98Å; E797-R800 PolarHBondContact OE1-NE 3.48Å; E797-R800 IonicContact OE1-NH2 3.16Å; E797-R800 PolarHBondContact OE1-NH2 2.92Å; E797-R800 IonicContact OE2-CZ 2.98Å; E797-R800 IonicContact OE2-NE 2.97Å; E797-R800 PolarHBondContact OE2-NE 2.9Å; E797-R800 IonicContact OE2-NH2 3.26Å; E797-R800 PolarHBondContact OE2-NH2 2.85Å; E797-R801 WeakPolarHBondContact O-CB 3.1Å; E797-R801 PolarHBondContact O-N 3.32Å
798T72.1Confident78.1Confident2 Ų243.2 Ų43.21%0.01222%0.216CC..Hα-helixtrans-61.1-50.2173-53.70000111.1E362 F693 L695 R703 L794 R800 R801 G802E362-T798 WeakPolarHBondContact OE1-CB 3.43Å; E362-T798 PolarHBondContact OE1-N 2.88Å; E362-T798 PolarHBondContact OE1-OG1 2.86Å; E362-T798 PolarHBondContact OE2-OG1 2.83Å; F693-T798 HydrophobicContact CB-CG2 4.1Å; F693-T798 HydrophobicContact CD1-CG2 4.3Å; L695-T798 HydrophobicContact CD2-CG2 4.46Å; R703-T798 PolarHBondContact NH1-OG1 3.22Å; R703-T798 PolarHBondContact NH2-OG1 3.18Å; L794-T798 HydrophobicContact CB-CG2 4.13Å; L794-T798 VanDerWaalsContact O-CB 3.29Å; L794-T798 WeakPolarHBondContact O-CB 3.39Å; L794-T798 PolarHBondContact O-OG1 3.49Å; L794-T798 VanDerWaalsContact O-OG1 3.08Å; T798-R800 VanDerWaalsContact C-N 3.27Å; T798-R800 PolarHBondContact O-N 2.97Å; T798-R801 PolarHBondContact O-N 3.13Å; T798-G802 PolarHBondContact O-N 2.81Å
799T78.6Confident79.4Confident9 Ų941.9 Ų41.96%0.05521%0.211CC..Hα-helixtrans-57-47.3178.2-62.30000110.1V786 A791 G795 N796 R801 G802 V803V786-T799 HydrophobicContact CB-CG2 4.1Å; V786-T799 HydrophobicContact CG1-CG2 3.83Å; V786-T799 HydrophobicContact CG2-CG2 4.15Å; A791-T799 WeakPolarHBondContact CA-OG1 3.28Å; A791-T799 HydrophobicContact CB-CG2 4.02Å; G795-T799 VanDerWaalsContact O-CB 3.31Å; G795-T799 WeakPolarHBondContact O-CB 3.44Å; G795-T799 PolarHBondContact O-N 3.31Å; G795-T799 PolarHBondContact O-OG1 3.34Å; N796-T799 PolarHBondContact O-N 3.12Å; T799-R801 PolarHBondContact O-N 2.6Å; T799-G802 PolarHBondContact O-N 2.97Å; T799-V803 HydrophobicContact CG2-CG2 4.5Å; T799-V803 WeakPolarHBondContact O-CB 3.46Å; T799-V803 WeakPolarHBondContact O-CG2 3.45Å; T799-V803 PolarHBondContact O-N 2.97Å
800R83.1Confident80.7Confident24 Ų2436.9 Ų36.99%0.09119%0.188CC..Hα-helixtrans-58.5-48.1176.9-17317481.3128.9-9.5112.7M35 E96 N796 E797 T798 V803 S804M35-R800 HydrophobicContact CE-CG 3.48Å; M35-R800 VanDerWaalsContact CE-CG 3.48Å; M35-R800 WeakPolarHBondContact CE-O 3.12Å; M35-R800 HydrophobicContact CG-CG 3.66Å; M35-R800 HydrophobicContact SD-CG 3.44Å; M35-R800 WeakPolarHBondContact SD-CG 3.17Å; E96-R800 IonicContact OE1-CZ 3.51Å; E96-R800 IonicContact OE1-NH1 2.75Å; E96-R800 PolarHBondContact OE1-NH1 3.28Å; E96-R800 IonicContact OE1-NH2 2.77Å; E96-R800 PolarHBondContact OE1-NH2 3.46Å; E96-R800 IonicContact OE2-CZ 3.1Å; E96-R800 VanDerWaalsContact OE2-CZ 3.26Å; E96-R800 IonicContact OE2-NH1 3.46Å; E96-R800 PolarHBondContact OE2-NH1 3.03Å; E96-R800 IonicContact OE2-NH2 2.77Å; E96-R800 PolarHBondContact OE2-NH2 3.36Å; N796-R800 WeakPolarHBondContact O-CB 3.38Å; N796-R800 PolarHBondContact O-N 3.43Å; E797-R800 WeakPolarHBondContact O-CB 3.48Å; E797-R800 PolarHBondContact O-N 3Å; E797-R800 IonicContact OE1-CZ 2.73Å; E797-R800 IonicContact OE1-NE 3.98Å; E797-R800 PolarHBondContact OE1-NE 3.48Å; E797-R800 IonicContact OE1-NH2 3.16Å; E797-R800 PolarHBondContact OE1-NH2 2.92Å; E797-R800 IonicContact OE2-CZ 2.98Å; E797-R800 IonicContact OE2-NE 2.97Å; E797-R800 PolarHBondContact OE2-NE 2.9Å; E797-R800 IonicContact OE2-NH2 3.26Å; E797-R800 PolarHBondContact OE2-NH2 2.85Å; T798-R800 VanDerWaalsContact C-N 3.27Å; T798-R800 PolarHBondContact O-N 2.97Å; R800-V803 PolarHBondContact O-N 3.43Å; R800-S804 VanDerWaalsContact O-CB 3.31Å; R800-S804 WeakPolarHBondContact O-CB 3.18Å; R800-S804 PolarHBondContact O-N 3.11Å
801R82.9Confident81.8Confident73 Ų7335.1 Ų35.128%0.27518%0.181SC..Hα-helixtrans-62.8-44.2179-167.9178.778.6155.92.9111.3F693 D694 E797 T798 T799 S804 C805F693-R801 PolarHBondContact O-NH2 2.74Å; D694-R801 VanDerWaalsContact CB-NH2 3.26Å; D694-R801 PolarHBondContact O-NH2 2.89Å; D694-R801 IonicContact OD2-CZ 2.91Å; D694-R801 IonicContact OD2-NH1 3.18Å; D694-R801 PolarHBondContact OD2-NH1 3.4Å; D694-R801 IonicContact OD2-NH2 3.19Å; D694-R801 PolarHBondContact OD2-NH2 3.48Å; E797-R801 WeakPolarHBondContact O-CB 3.1Å; E797-R801 PolarHBondContact O-N 3.32Å; T798-R801 PolarHBondContact O-N 3.13Å; T799-R801 PolarHBondContact O-N 2.6Å; R801-S804 WeakPolarHBondContact O-CB 3.04Å; R801-S804 PolarHBondContact O-N 3.27Å; R801-C805 WeakPolarHBondContact O-CB 3.34Å; R801-C805 PolarHBondContact O-N 2.84Å
802G87.3Confident83Confident1 Ų139.5 Ų39.51%0.0120%0.2CC..Hα-helixtrans-66.1-43.4179.200000112.8I692 T798 T799 S804 C805 V806I692-G802 WeakPolarHBondContact O-CA 3.39Å; T798-G802 PolarHBondContact O-N 2.81Å; T799-G802 PolarHBondContact O-N 2.97Å; G802-S804 VanDerWaalsContact C-N 3.32Å; G802-S804 PolarHBondContact O-N 3Å; G802-C805 WeakPolarHBondContact O-CB 3.44Å; G802-C805 PolarHBondContact O-N 3.27Å; G802-V806 PolarHBondContact O-N 3.23Å
803V89.3Confident84.3Confident8 Ų839.6 Ų39.65%0.04820%0.201CC..Hα-helixtrans-62-40.8172.6170.20000111.3L782 L783 V786 T799 R800 C805 V806 F807L782-V803 HydrophobicContact CB-CG1 3.7Å; L783-V803 HydrophobicContact CD2-CB 4.07Å; L783-V803 HydrophobicContact CD2-CG1 3.86Å; L783-V803 HydrophobicContact CD2-CG2 4.27Å; L783-V803 HydrophobicContact CG-CG1 3.94Å; V786-V803 HydrophobicContact CG2-CG2 3.74Å; T799-V803 HydrophobicContact CG2-CG2 4.5Å; T799-V803 WeakPolarHBondContact O-CB 3.46Å; T799-V803 WeakPolarHBondContact O-CG2 3.45Å; T799-V803 PolarHBondContact O-N 2.97Å; R800-V803 PolarHBondContact O-N 3.43Å; V803-C805 VanDerWaalsContact C-N 3.31Å; V803-C805 PolarHBondContact O-N 3.43Å; V803-V806 PolarHBondContact O-N 3.48Å; V803-F807 WeakPolarHBondContact O-CB 3.44Å; V803-F807 PolarHBondContact O-N 2.99Å
804S90.1Very high85.7Confident20 Ų2048.3 Ų48.314%0.1423%0.232CC..Hα-helixtrans-62.4-39.4175.2-160.90000111.9R800 R801 G802 F807 N808R800-S804 VanDerWaalsContact O-CB 3.31Å; R800-S804 WeakPolarHBondContact O-CB 3.18Å; R800-S804 PolarHBondContact O-N 3.11Å; R801-S804 WeakPolarHBondContact O-CB 3.04Å; R801-S804 PolarHBondContact O-N 3.27Å; G802-S804 VanDerWaalsContact C-N 3.32Å; G802-S804 PolarHBondContact O-N 3Å; S804-F807 PolarHBondContact O-N 3.34Å; S804-N808 VanDerWaalsContact O-CB 3.22Å; S804-N808 WeakPolarHBondContact O-CB 3.42Å; S804-N808 PolarHBondContact O-N 3.17Å; S804-N808 PolarHBondContact O-ND2 3.31Å
805C90.4Very high86.9Confident68 Ų6853.3 Ų53.346%0.45925%0.254SS..Hα-helixtrans-60.3-51.6176.3-176.30000110.9R801 G802 V803 F807 N808 M809R801-C805 WeakPolarHBondContact O-CB 3.34Å; R801-C805 PolarHBondContact O-N 2.84Å; G802-C805 WeakPolarHBondContact O-CB 3.44Å; G802-C805 PolarHBondContact O-N 3.27Å; V803-C805 VanDerWaalsContact C-N 3.31Å; V803-C805 PolarHBondContact O-N 3.43Å; C805-F807 PolarHBondContact O-N 3.42Å; C805-N808 PolarHBondContact O-N 3.45Å; C805-M809 WeakPolarHBondContact O-CB 3.44Å; C805-M809 PolarHBondContact O-N 2.85Å
806V92.8Very high88.4Confident33 Ų3353.6 Ų53.620%0.226%0.255CS..Hα-helixtrans-59.6-47.8176.9173.90000110.9I692 G802 V803 N808 M809 L810I692-V806 HydrophobicContact CB-CG2 4.32Å; I692-V806 HydrophobicContact CD1-CG2 3.81Å; I692-V806 HydrophobicContact CG1-CG2 3.69Å; I692-V806 HydrophobicContact CG2-CG2 3.76Å; G802-V806 PolarHBondContact O-N 3.23Å; V803-V806 PolarHBondContact O-N 3.48Å; V806-N808 PolarHBondContact O-N 3.36Å; V806-M809 PolarHBondContact O-N 3.24Å; V806-L810 HydrophobicContact CG1-CD1 3.81Å; V806-L810 WeakPolarHBondContact O-CD1 3.33Å; V806-L810 VanDerWaalsContact O-CG 3.22Å; V806-L810 WeakPolarHBondContact O-CG 3.38Å; V806-L810 PolarHBondContact O-N 3.31Å
807F94.3Very high89.5Confident0 Ų054.5 Ų54.50%025%0.252CS..Hα-helixtrans-58.4-49.4178.6174.7-94.3000111.5R775 C778 R779 L782 V803 S804 C805 L810 Q811R775-F807 HydrophobicContact CB-CZ 4.15Å; R775-F807 HydrophobicContact CG-CZ 4.43Å; C778-F807 HydrophobicContact CB-CE2 4.18Å; R779-F807 HydrophobicContact CB-CD2 4.36Å; R779-F807 HydrophobicContact CB-CE2 4.5Å; R779-F807 HydrophobicContact CG-CB 4.26Å; R779-F807 HydrophobicContact CG-CD1 3.73Å; R779-F807 HydrophobicContact CG-CD2 3.29Å; R779-F807 HydrophobicContact CG-CE1 3.87Å; R779-F807 HydrophobicContact CG-CE2 3.4Å; R779-F807 HydrophobicContact CG-CG 3.44Å; R779-F807 VanDerWaalsContact CG-CG 3.44Å; R779-F807 HydrophobicContact CG-CZ 3.69Å; R779-F807 VanDerWaalsContact NE-CD1 3.27Å; R779-F807 VanDerWaalsContact NH2-CE1 3.26Å; L782-F807 HydrophobicContact CD1-CB 3.9Å; L782-F807 HydrophobicContact CD1-CD2 4.03Å; L782-F807 HydrophobicContact CD1-CG 4.48Å; V803-F807 WeakPolarHBondContact O-CB 3.44Å; V803-F807 PolarHBondContact O-N 2.99Å; S804-F807 PolarHBondContact O-N 3.34Å; C805-F807 PolarHBondContact O-N 3.42Å; F807-L810 CarbonylContact O-C 3.35Å; F807-L810 WeakPolarHBondContact O-CB 3.42Å; F807-L810 PolarHBondContact O-N 3.38Å; F807-L810 VanDerWaalsContact O-N 3.13Å; F807-Q811 HydrophobicContact CD1-CG 3.92Å; F807-Q811 HydrophobicContact CE1-CG 3.37Å; F807-Q811 HydrophobicContact CE2-CG 4.21Å; F807-Q811 HydrophobicContact CZ-CG 3.57Å; F807-Q811 VanDerWaalsContact O-CG 3.24Å; F807-Q811 WeakPolarHBondContact O-CG 3.49Å; F807-Q811 PolarHBondContact O-N 2.91Å; F807-Q811 VanDerWaalsContact O-N 3.09Å; F807-Q811 PolarHBondContact O-NE2 2.96Å
808N93.6Very high90.6Very high59 Ų5959 Ų5932%0.31627%0.266SS..Hα-helixtrans-63.6-41.7-178.6-73.1-16000111.5S804 C805 V806 L810 Q811 E812S804-N808 VanDerWaalsContact O-CB 3.22Å; S804-N808 WeakPolarHBondContact O-CB 3.42Å; S804-N808 PolarHBondContact O-N 3.17Å; S804-N808 PolarHBondContact O-ND2 3.31Å; C805-N808 PolarHBondContact O-N 3.45Å; V806-N808 PolarHBondContact O-N 3.36Å; N808-L810 VanDerWaalsContact C-N 3.27Å; N808-L810 PolarHBondContact O-N 3.01Å; N808-Q811 PolarHBondContact O-N 3.39Å; N808-E812 PolarHBondContact O-N 2.92Å
809M94Very high91.6Very high94 Ų9465.7 Ų65.746%0.46330%0.296SS..Hα-helixtrans-55.2-43.8172.2-179-164.170.500111.4C805 V806 Q811 E812 F815C805-M809 WeakPolarHBondContact O-CB 3.44Å; C805-M809 PolarHBondContact O-N 2.85Å; V806-M809 PolarHBondContact O-N 3.24Å; M809-Q811 PolarHBondContact O-N 3.21Å; M809-E812 PolarHBondContact O-N 3.3Å; M809-F815 HydrophobicContact CG-CD2 4.3Å
810L94.4Very high92.3Very high28 Ų2866.2 Ų66.215%0.14730%0.299CS..Hα-helixtrans-72.6-14.6179-65.3163.9000113.6V11 I15 L782 V806 F807 N808 E812 N816V11-L810 HydrophobicContact CG1-CB 4.26Å; V11-L810 HydrophobicContact CG1-CD2 3.91Å; I15-L810 HydrophobicContact CD1-CD1 3.46Å; I15-L810 VanDerWaalsContact CD1-CD1 3.46Å; I15-L810 HydrophobicContact CD1-CD2 4.49Å; I15-L810 HydrophobicContact CD1-CG 4.48Å; L782-L810 HydrophobicContact CD1-CD1 4.46Å; V806-L810 HydrophobicContact CG1-CD1 3.81Å; V806-L810 WeakPolarHBondContact O-CD1 3.33Å; V806-L810 VanDerWaalsContact O-CG 3.22Å; V806-L810 WeakPolarHBondContact O-CG 3.38Å; V806-L810 PolarHBondContact O-N 3.31Å; F807-L810 CarbonylContact O-C 3.35Å; F807-L810 WeakPolarHBondContact O-CB 3.42Å; F807-L810 PolarHBondContact O-N 3.38Å; F807-L810 VanDerWaalsContact O-N 3.13Å; N808-L810 VanDerWaalsContact C-N 3.27Å; N808-L810 PolarHBondContact O-N 3.01Å; L810-E812 VanDerWaalsContact C-N 3.33Å; L810-N816 WeakPolarHBondContact CA-OD1 3.21Å; L810-N816 PolarHBondContact O-ND2 3.33Å; L810-N816 PolarHBondContact O-OD1 3.26Å
811Q94.8Very high92.7Very high24 Ų2468.2 Ų68.211%0.11231%0.309CS..Hα-helixtrans-82.2-15.9173.7-56-38-74.800112.5P8 N12 R775 F807 N808 M809 E813P8-Q811 WeakPolarHBondContact CG-O 3.38Å; N12-Q811 PolarHBondContact ND2-OE1 3.38Å; N12-Q811 PolarHBondContact OD1-NE2 2.98Å; R775-Q811 VanDerWaalsContact NH1-CG 3.33Å; F807-Q811 HydrophobicContact CD1-CG 3.92Å; F807-Q811 HydrophobicContact CE1-CG 3.37Å; F807-Q811 HydrophobicContact CE2-CG 4.21Å; F807-Q811 HydrophobicContact CZ-CG 3.57Å; F807-Q811 VanDerWaalsContact O-CG 3.24Å; F807-Q811 WeakPolarHBondContact O-CG 3.49Å; F807-Q811 PolarHBondContact O-N 2.91Å; F807-Q811 VanDerWaalsContact O-N 3.09Å; F807-Q811 PolarHBondContact O-NE2 2.96Å; N808-Q811 PolarHBondContact O-N 3.39Å; M809-Q811 PolarHBondContact O-N 3.21Å; Q811-E813 PolarHBondContact O-N 2.88Å
812E95.2Very high93.2Very high101 Ų10167.9 Ų67.947%0.47232%0.315SS..  trans-86.5103.3178.7-70.1-60.6138.600111.1N808 M809 L810 R814 F815 N816N808-E812 PolarHBondContact O-N 2.92Å; M809-E812 PolarHBondContact O-N 3.3Å; L810-E812 VanDerWaalsContact C-N 3.33Å; E812-R814 PolarHBondContact O-N 2.88Å; E812-R814 VanDerWaalsContact O-N 3.08Å; E812-F815 HydrophobicContact CB-CB 4.25Å; E812-F815 HydrophobicContact CB-CD2 3.42Å; E812-F815 VanDerWaalsContact CB-CD2 3.42Å; E812-F815 HydrophobicContact CB-CE2 3.98Å; E812-F815 HydrophobicContact CB-CG 4.02Å; E812-F815 HydrophobicContact CG-CD2 3.89Å; E812-F815 HydrophobicContact CG-CE2 3.97Å; E812-F815 PolarHBondContact O-N 3.23Å; E812-N816 PolarHBondContact O-N 2.83Å; E812-N816 VanDerWaalsContact O-N 3.08Å
813E95.3Very high93.3Very high95 Ų9571.3 Ų71.344%0.44434%0.336SS..Hα-helixtrans-54.5-34.5-179.3-169.9-169.7163.700112.3S6 P8 Q811 F815 N816 R817S6-E813 WeakPolarHBondContact O-CG 3.48Å; P8-E813 HydrophobicContact CG-CB 4.3Å; Q811-E813 PolarHBondContact O-N 2.88Å; E813-F815 PolarHBondContact O-N 3.5Å; E813-N816 PolarHBondContact O-N 2.68Å; E813-R817 WeakPolarHBondContact O-CB 3.39Å; E813-R817 PolarHBondContact O-N 2.8Å
814R94.7Very high93.4Very high213 Ų21373.7 Ų73.780%0.80435%0.348SS*.Hα-helixtrans-63.3-41.4178.9-66.7-179.6179.9170.81.4112E812 R818E812-R814 PolarHBondContact O-N 2.88Å; E812-R814 VanDerWaalsContact O-N 3.08Å; R814-R818 PolarHBondContact O-N 3.45Å
815F94.7Very high93.2Very high123 Ų12378.5 Ų78.554%0.53937%0.368SS..Hα-helixtrans-71.8-44.9177.6-62.1-30.4000110.8M809 E812 E813 R817 R818 F819M809-F815 HydrophobicContact CG-CD2 4.3Å; E812-F815 HydrophobicContact CB-CB 4.25Å; E812-F815 HydrophobicContact CB-CD2 3.42Å; E812-F815 VanDerWaalsContact CB-CD2 3.42Å; E812-F815 HydrophobicContact CB-CE2 3.98Å; E812-F815 HydrophobicContact CB-CG 4.02Å; E812-F815 HydrophobicContact CG-CD2 3.89Å; E812-F815 HydrophobicContact CG-CE2 3.97Å; E812-F815 PolarHBondContact O-N 3.23Å; E813-F815 PolarHBondContact O-N 3.5Å; F815-R817 VanDerWaalsContact C-N 3.27Å; F815-R817 PolarHBondContact O-N 2.82Å; F815-R818 WeakPolarHBondContact O-CB 3.31Å; F815-R818 PolarHBondContact O-N 3.03Å; F815-R818 VanDerWaalsContact O-N 3.12Å; F815-F819 PolarHBondContact O-N 2.84Å
816N95.5Very high93.1Very high8 Ų878.2 Ų78.24%0.04337%0.371CS..Hα-helixtrans-56.8-43.2174-63.1-21.7000111.5S6 L810 E812 E813 R818 F819 V820S6-N816 VanDerWaalsContact O-CB 3.26Å; S6-N816 WeakPolarHBondContact O-CB 3.39Å; S6-N816 PolarHBondContact O-ND2 3.18Å; S6-N816 VanDerWaalsContact O-ND2 3.14Å; L810-N816 WeakPolarHBondContact CA-OD1 3.21Å; L810-N816 PolarHBondContact O-ND2 3.33Å; L810-N816 PolarHBondContact O-OD1 3.26Å; E812-N816 PolarHBondContact O-N 2.83Å; E812-N816 VanDerWaalsContact O-N 3.08Å; E813-N816 PolarHBondContact O-N 2.68Å; N816-R818 PolarHBondContact O-N 2.89Å; N816-F819 WeakPolarHBondContact O-CB 3.39Å; N816-F819 PolarHBondContact O-N 3.34Å; N816-V820 VanDerWaalsContact O-CG2 3.29Å; N816-V820 WeakPolarHBondContact O-CG2 3.46Å; N816-V820 PolarHBondContact O-N 3.47Å
817R95.5Very high92.8Very high98 Ų9882.6 Ų82.637%0.3739%0.387SS..Hα-helixtrans-62.4-44.1177.4-170.4173.8-144.5-85.3-5.3111.8I2 N3 E813 F815 F819 V820 H821I2-R817 HydrophobicContact CG2-CG 4.08Å; N3-R817 PolarHBondContact OD1-NH2 3.18Å; E813-R817 WeakPolarHBondContact O-CB 3.39Å; E813-R817 PolarHBondContact O-N 2.8Å; F815-R817 VanDerWaalsContact C-N 3.27Å; F815-R817 PolarHBondContact O-N 2.82Å; R817-F819 VanDerWaalsContact C-N 3.34Å; R817-V820 PolarHBondContact O-N 2.63Å; R817-H821 PolarHBondContact NH1-NE2 3.17Å; R817-H821 PolarHBondContact O-CD2 3.41Å; R817-H821 PolarHBondContact O-N 2.76Å
818R94.5Very high92.5Very high157 Ų15785.6 Ų85.659%0.59240%0.403SS*.Hα-helixtrans-60.7-46.1175.3178.359.1178.6-146.21.8110.8R814 F815 N816 V820 H821 T822R814-R818 PolarHBondContact O-N 3.45Å; F815-R818 WeakPolarHBondContact O-CB 3.31Å; F815-R818 PolarHBondContact O-N 3.03Å; F815-R818 VanDerWaalsContact O-N 3.12Å; N816-R818 PolarHBondContact O-N 2.89Å; R818-V820 PolarHBondContact O-N 2.87Å; R818-H821 PolarHBondContact O-N 3.42Å; R818-T822 PolarHBondContact O-N 3.02Å; R818-T822 PolarHBondContact O-OG1 2.94Å
819F92.7Very high92.2Very high144 Ų14484.7 Ų84.763%0.63240%0.401SS*.Hα-helixtrans-57.9-47.8177.3179.8-108.1000111.9F815 N816 R817 H821 T822 V823F815-F819 PolarHBondContact O-N 2.84Å; N816-F819 WeakPolarHBondContact O-CB 3.39Å; N816-F819 PolarHBondContact O-N 3.34Å; R817-F819 VanDerWaalsContact C-N 3.34Å; F819-H821 VanDerWaalsContact C-N 3.33Å; F819-H821 PolarHBondContact O-N 2.86Å; F819-T822 PolarHBondContact O-N 2.76Å; F819-T822 VanDerWaalsContact O-N 3.17Å; F819-V823 HydrophobicContact CD1-CG2 4.38Å; F819-V823 HydrophobicContact CD2-CG2 4.34Å; F819-V823 HydrophobicContact CE1-CG2 3.99Å; F819-V823 HydrophobicContact CE2-CG2 3.94Å; F819-V823 HydrophobicContact CZ-CG2 3.75Å; F819-V823 WeakPolarHBondContact O-CG2 3.38Å; F819-V823 PolarHBondContact O-N 2.69Å
820V92.7Very high91.8Very high20 Ų2088.7 Ų88.712%0.12141%0.411CS..Hα-helixtrans-58.8-43176.1171.60000111.8I2 L5 N816 R817 R818 V823 L824I2-V820 HydrophobicContact CG1-CG1 4.48Å; I2-V820 HydrophobicContact CG2-CG1 4.21Å; L5-V820 HydrophobicContact CB-CG1 4.1Å; L5-V820 HydrophobicContact CB-CG2 3.63Å; L5-V820 HydrophobicContact CD1-CG1 4.09Å; N816-V820 VanDerWaalsContact O-CG2 3.29Å; N816-V820 WeakPolarHBondContact O-CG2 3.46Å; N816-V820 PolarHBondContact O-N 3.47Å; R817-V820 PolarHBondContact O-N 2.63Å; R818-V820 PolarHBondContact O-N 2.87Å; V820-V823 PolarHBondContact O-N 2.89Å; V820-L824 WeakPolarHBondContact O-CB 3.01Å; V820-L824 PolarHBondContact O-N 2.73Å
821H92.7Very high91.5Very high66 Ų6692.3 Ų92.331%0.30643%0.43SS..Hα-helixtrans-62.4-43.5176.1-75.8-59.4000112.1R817 R818 F819 L824 E825R817-H821 PolarHBondContact NH1-NE2 3.17Å; R817-H821 PolarHBondContact O-CD2 3.41Å; R817-H821 PolarHBondContact O-N 2.76Å; R818-H821 PolarHBondContact O-N 3.42Å; F819-H821 VanDerWaalsContact C-N 3.33Å; F819-H821 PolarHBondContact O-N 2.86Å; H821-L824 PolarHBondContact O-N 2.86Å; H821-E825 VanDerWaalsContact O-CB 3.27Å; H821-E825 WeakPolarHBondContact O-CB 3.3Å; H821-E825 PolarHBondContact O-N 3.46Å
822T92.6Very high91.3Very high65 Ų6595 Ų9540%0.39944%0.441SS..Hα-helixtrans-65.5-42.5179-63.30000112R818 F819 E825 A826R818-T822 PolarHBondContact O-N 3.02Å; R818-T822 PolarHBondContact O-OG1 2.94Å; F819-T822 PolarHBondContact O-N 2.76Å; F819-T822 VanDerWaalsContact O-N 3.17Å; T822-E825 PolarHBondContact O-N 3.36Å; T822-A826 WeakPolarHBondContact O-CB 3.3Å; T822-A826 PolarHBondContact O-N 3.03Å
823V89.9Confident90.9Very high74 Ų7497.7 Ų97.745%0.44845%0.447SS..Hα-helixtrans-64.6-42.7175.1173.20000110.9F819 V820 A826 F827F819-V823 HydrophobicContact CD1-CG2 4.38Å; F819-V823 HydrophobicContact CD2-CG2 4.34Å; F819-V823 HydrophobicContact CE1-CG2 3.99Å; F819-V823 HydrophobicContact CE2-CG2 3.94Å; F819-V823 HydrophobicContact CZ-CG2 3.75Å; F819-V823 WeakPolarHBondContact O-CG2 3.38Å; F819-V823 PolarHBondContact O-N 2.69Å; V820-V823 PolarHBondContact O-N 2.89Å; V823-A826 PolarHBondContact O-N 3.15Å; V823-F827 WeakPolarHBondContact O-CB 3.3Å; V823-F827 PolarHBondContact O-N 2.72Å
824L90Very high90.5Very high57 Ų5798.3 Ų98.330%0.29846%0.459SS..Hα-helixtrans-64.9-42.5178.2-177.963000111.7I2 V820 H821 F827 L828I2-L824 HydrophobicContact CD1-CD2 4.4Å; V820-L824 WeakPolarHBondContact O-CB 3.01Å; V820-L824 PolarHBondContact O-N 2.73Å; H821-L824 PolarHBondContact O-N 2.86Å; L824-F827 PolarHBondContact O-N 3.32Å; L824-L828 HydrophobicContact CD1-CD1 4.21Å; L824-L828 HydrophobicContact CD1-CG 4.21Å; L824-L828 HydrophobicContact CG-CD1 3.97Å; L824-L828 HydrophobicContact CG-CG 4.38Å; L824-L828 WeakPolarHBondContact O-CB 3.45Å; L824-L828 WeakPolarHBondContact O-CG 3.34Å; L824-L828 PolarHBondContact O-N 2.77Å
825E87.8Confident90Very high122 Ų12294.8 Ų94.857%0.5745%0.447SS*.Hα-helixtrans-57.5-52.9174178177.4-169.200110.8H821 T822 F827 L828 C829H821-E825 VanDerWaalsContact O-CB 3.27Å; H821-E825 WeakPolarHBondContact O-CB 3.3Å; H821-E825 PolarHBondContact O-N 3.46Å; T822-E825 PolarHBondContact O-N 3.36Å; E825-F827 VanDerWaalsContact C-N 3.32Å; E825-F827 PolarHBondContact O-N 3.34Å; E825-L828 PolarHBondContact O-N 2.87Å; E825-C829 WeakPolarHBondContact O-CB 3.28Å; E825-C829 PolarHBondContact O-N 3.33Å; E825-C829 PolarHBondContact O-SG 3.31Å
826A88.1Confident89.3Confident62 Ų6291.5 Ų91.551%0.51243%0.433SS..Hα-helixtrans-58.7-43.3178.300000112.2T822 V823 R830T822-A826 WeakPolarHBondContact O-CB 3.3Å; T822-A826 PolarHBondContact O-N 3.03Å; V823-A826 PolarHBondContact O-N 3.15Å; A826-R830 WeakPolarHBondContact O-CB 3.37Å; A826-R830 PolarHBondContact O-N 2.84Å
827F86.5Confident88.6Confident124 Ų12495.1 Ų95.154%0.54446%0.456SS..Hα-helixtrans-62.1-46.5176.7177.6-99.4000112.1V823 L824 E825 R830 L831V823-F827 WeakPolarHBondContact O-CB 3.3Å; V823-F827 PolarHBondContact O-N 2.72Å; L824-F827 PolarHBondContact O-N 3.32Å; E825-F827 VanDerWaalsContact C-N 3.32Å; E825-F827 PolarHBondContact O-N 3.34Å; F827-R830 PolarHBondContact O-N 3.33Å; F827-L831 HydrophobicContact CE1-CD2 3.84Å; F827-L831 HydrophobicContact CZ-CD2 4.05Å; F827-L831 WeakPolarHBondContact O-CB 3.28Å; F827-L831 PolarHBondContact O-N 3.47Å
828L87.3Confident88.1Confident64 Ų6497.5 Ų97.534%0.33547%0.466SS..Hα-helixtrans-65.1-44.3179.2-71.4173.1000111.6L824 E825 R830 L831 F832 W839L824-L828 HydrophobicContact CD1-CD1 4.21Å; L824-L828 HydrophobicContact CD1-CG 4.21Å; L824-L828 HydrophobicContact CG-CD1 3.97Å; L824-L828 HydrophobicContact CG-CG 4.38Å; L824-L828 WeakPolarHBondContact O-CB 3.45Å; L824-L828 WeakPolarHBondContact O-CG 3.34Å; L824-L828 PolarHBondContact O-N 2.77Å; E825-L828 PolarHBondContact O-N 2.87Å; L828-R830 PolarHBondContact O-N 3.19Å; L828-L831 PolarHBondContact O-N 2.96Å; L828-F832 HydrophobicContact CD2-CD2 4.24Å; L828-F832 HydrophobicContact CD2-CE2 4Å; L828-F832 PolarHBondContact O-N 3.24Å; L828-W839 HydrophobicContact CB-CH2 4.44Å; L828-W839 HydrophobicContact CB-CZ3 4.34Å
829C86.7Confident87.5Confident39 Ų3993.1 Ų93.126%0.26445%0.449SS..Hα-helixtrans-61-33.8175.8-69.10000111.9E825 R833E825-C829 WeakPolarHBondContact O-CB 3.28Å; E825-C829 PolarHBondContact O-N 3.33Å; E825-C829 PolarHBondContact O-SG 3.31Å; C829-R833 VanDerWaalsContact O-CA 3.27Å; C829-R833 WeakPolarHBondContact O-CA 3.19Å; C829-R833 PolarHBondContact O-N 2.96Å
830R87.1Confident86.8Confident178 Ų17888.5 Ų88.567%0.67243%0.43SS*.Hα-helixtrans-74.9-45.8175.7-172.660.2176.7175.60.8112.6A826 F827 L828 F832A826-R830 WeakPolarHBondContact O-CB 3.37Å; A826-R830 PolarHBondContact O-N 2.84Å; F827-R830 PolarHBondContact O-N 3.33Å; L828-R830 PolarHBondContact O-N 3.19Å; R830-F832 VanDerWaalsContact C-N 3.32Å; R830-F832 PolarHBondContact O-N 3.23Å
831L87.5Confident86.3Confident104 Ų10490 Ų9055%0.54545%0.445SS..Hα-helixtrans-66-36.2-177.3-175.862.9000112.1F827 L828F827-L831 HydrophobicContact CE1-CD2 3.84Å; F827-L831 HydrophobicContact CZ-CD2 4.05Å; F827-L831 WeakPolarHBondContact O-CB 3.28Å; F827-L831 PolarHBondContact O-N 3.47Å; L828-L831 PolarHBondContact O-N 2.96Å
832F89.4Confident85.6Confident80 Ų8089.8 Ų89.835%0.35145%0.445SS..THydrogen-bonded Turntrans-116.935.3-176.9-62.1-82.5000112L828 R830 Y835 H836 W839L828-F832 HydrophobicContact CD2-CD2 4.24Å; L828-F832 HydrophobicContact CD2-CE2 4Å; L828-F832 PolarHBondContact O-N 3.24Å; R830-F832 VanDerWaalsContact C-N 3.32Å; R830-F832 PolarHBondContact O-N 3.23Å; F832-Y835 HydrophobicContact CB-CD2 4.23Å; F832-Y835 HydrophobicContact CD1-CD2 4.2Å; F832-Y835 PolarHBondContact O-N 3.09Å; F832-H836 PolarHBondContact O-N 3.47Å; F832-W839 HydrophobicContact CB-CH2 3.1Å; F832-W839 HydrophobicContact CB-CZ2 3.55Å; F832-W839 HydrophobicContact CB-CZ3 3.68Å; F832-W839 HydrophobicContact CD1-CH2 4.41Å; F832-W839 HydrophobicContact CD1-CZ2 4.32Å; F832-W839 AromaticContact CD2-CH2 3.41Å; F832-W839 HydrophobicContact CD2-CH2 3.41Å; F832-W839 VanDerWaalsContact CD2-CH2 3.41Å; F832-W839 HydrophobicContact CD2-CZ2 4.01Å; F832-W839 HydrophobicContact CD2-CZ3 4.41Å; F832-W839 HydrophobicContact CE2-CH2 4.36Å; F832-W839 AromaticContact CG-CH2 3.41Å; F832-W839 HydrophobicContact CG-CH2 3.41Å; F832-W839 VanDerWaalsContact CG-CH2 3.41Å; F832-W839 AromaticContact CG-CZ2 3.72Å; F832-W839 HydrophobicContact CG-CZ2 3.72Å; F832-W839 HydrophobicContact CG-CZ3 4.39Å
833R87.1Confident84.8Confident158 Ų15893.5 Ų93.560%0.59645%0.453SS*.G310 helixtrans-43.3-42.2178.7-171-178.5-177.4-179.50.4114.1C829 Y835 H836C829-R833 VanDerWaalsContact O-CA 3.27Å; C829-R833 WeakPolarHBondContact O-CA 3.19Å; C829-R833 PolarHBondContact O-N 2.96Å; R833-Y835 PolarHBondContact O-N 2.84Å; R833-H836 VanDerWaalsContact O-CB 3.32Å; R833-H836 WeakPolarHBondContact O-CB 3.48Å; R833-H836 PolarHBondContact O-N 3.45Å
834P87.3Confident84Confident109 Ų10993.3 Ų93.371%0.70845%0.447SS*.G310 helixtrans-63.9-23.3178.4-22.534.9000115
835Y84.8Confident83.2Confident138 Ų13898 Ų9854%0.54147%0.465SS..G310 helixtrans-97.4-0.1-179-60.7-80.2000113F832 R833 T837 Y838 W839F832-Y835 HydrophobicContact CB-CD2 4.23Å; F832-Y835 HydrophobicContact CD1-CD2 4.2Å; F832-Y835 PolarHBondContact O-N 3.09Å; R833-Y835 PolarHBondContact O-N 2.84Å; Y835-T837 VanDerWaalsContact C-N 3.35Å; Y835-T837 PolarHBondContact O-N 2.81Å; Y835-Y838 WeakPolarHBondContact O-CB 3.31Å; Y835-Y838 PolarHBondContact O-N 3.34Å; Y835-Y838 VanDerWaalsContact O-N 3.12Å; Y835-W839 PolarHBondContact O-N 2.91Å
836H79.3Confident82.3Confident54 Ų5496.5 Ų96.525%0.2546%0.461CS..Hα-helixtrans-56.8-45.9-175.2-173.7-94.2000112.5F832 R833 Y838 W839 E840F832-H836 PolarHBondContact O-N 3.47Å; R833-H836 VanDerWaalsContact O-CB 3.32Å; R833-H836 WeakPolarHBondContact O-CB 3.48Å; R833-H836 PolarHBondContact O-N 3.45Å; H836-Y838 VanDerWaalsContact C-N 3.34Å; H836-Y838 PolarHBondContact O-N 2.83Å; H836-W839 PolarHBondContact O-N 3.03Å; H836-E840 IonicContact CE1-OE1 3.65Å; H836-E840 PolarHBondContact CE1-OE1 3.12Å; H836-E840 VanDerWaalsContact CE1-OE1 3.23Å; H836-E840 IonicContact ND1-OE1 3.92Å; H836-E840 PolarHBondContact O-N 3.41Å
837T81.4Confident81.1Confident84 Ų8497.8 Ų97.852%0.51546%0.459SS..Hα-helixtrans-63.1-39177.752.70000112.4Y835 E840 A841Y835-T837 VanDerWaalsContact C-N 3.35Å; Y835-T837 PolarHBondContact O-N 2.81Å; T837-E840 PolarHBondContact O-N 3.44Å; T837-A841 WeakPolarHBondContact O-CB 3.35Å; T837-A841 PolarHBondContact O-N 2.83Å
838Y83.9Confident79.9Confident148 Ų14892.4 Ų92.458%0.5844%0.436SS*.Hα-helixtrans-65.5-41.2175.4179.1-103.3000111.5Y835 H836 A841 I842Y835-Y838 WeakPolarHBondContact O-CB 3.31Å; Y835-Y838 PolarHBondContact O-N 3.34Å; Y835-Y838 VanDerWaalsContact O-N 3.12Å; H836-Y838 VanDerWaalsContact C-N 3.34Å; H836-Y838 PolarHBondContact O-N 2.83Å; Y838-A841 PolarHBondContact O-N 3.48Å; Y838-I842 HydrophobicContact CD1-CD1 3.79Å; Y838-I842 HydrophobicContact CE1-CD1 3.24Å; Y838-I842 HydrophobicContact CE1-CG1 4.24Å; Y838-I842 HydrophobicContact CE2-CD1 4.48Å; Y838-I842 WeakPolarHBondContact O-CG1 3.47Å; Y838-I842 PolarHBondContact O-N 3.22Å
839W81.8Confident78.7Confident65 Ų6591 Ų9125%0.24643%0.431CS..Hα-helixtrans-66.9-45.2174.8-64.4-18.5000112.3L828 F832 Y835 H836 A841 I842 Y843L828-W839 HydrophobicContact CB-CH2 4.44Å; L828-W839 HydrophobicContact CB-CZ3 4.34Å; F832-W839 HydrophobicContact CB-CH2 3.1Å; F832-W839 HydrophobicContact CB-CZ2 3.55Å; F832-W839 HydrophobicContact CB-CZ3 3.68Å; F832-W839 HydrophobicContact CD1-CH2 4.41Å; F832-W839 HydrophobicContact CD1-CZ2 4.32Å; F832-W839 AromaticContact CD2-CH2 3.41Å; F832-W839 HydrophobicContact CD2-CH2 3.41Å; F832-W839 VanDerWaalsContact CD2-CH2 3.41Å; F832-W839 HydrophobicContact CD2-CZ2 4.01Å; F832-W839 HydrophobicContact CD2-CZ3 4.41Å; F832-W839 HydrophobicContact CE2-CH2 4.36Å; F832-W839 AromaticContact CG-CH2 3.41Å; F832-W839 HydrophobicContact CG-CH2 3.41Å; F832-W839 VanDerWaalsContact CG-CH2 3.41Å; F832-W839 AromaticContact CG-CZ2 3.72Å; F832-W839 HydrophobicContact CG-CZ2 3.72Å; F832-W839 HydrophobicContact CG-CZ3 4.39Å; Y835-W839 PolarHBondContact O-N 2.91Å; H836-W839 PolarHBondContact O-N 3.03Å; W839-A841 PolarHBondContact O-N 3.21Å; W839-I842 CarbonylContact O-C 3.58Å; W839-I842 WeakPolarHBondContact O-CB 3.18Å; W839-I842 PolarHBondContact O-N 2.85Å; W839-Y843 HydrophobicContact CB-CD2 4.16Å; W839-Y843 HydrophobicContact CB-CE2 4.05Å; W839-Y843 WeakPolarHBondContact O-CB 3.27Å; W839-Y843 WeakPolarHBondContact O-CD2 3.32Å; W839-Y843 PolarHBondContact O-N 3.01Å
840E79.9Confident77.5Confident47 Ų4795.9 Ų95.922%0.2245%0.453CS..Hα-helixtrans-54.3-44173.4-77.3-162.8156.200110.7H836 T837 I842 Y843 E844 R857H836-E840 IonicContact CE1-OE1 3.65Å; H836-E840 PolarHBondContact CE1-OE1 3.12Å; H836-E840 VanDerWaalsContact CE1-OE1 3.23Å; H836-E840 IonicContact ND1-OE1 3.92Å; H836-E840 PolarHBondContact O-N 3.41Å; T837-E840 PolarHBondContact O-N 3.44Å; E840-I842 PolarHBondContact O-N 3.22Å; E840-Y843 PolarHBondContact O-N 3.33Å; E840-E844 WeakPolarHBondContact O-CB 3.22Å; E840-E844 WeakPolarHBondContact O-CG 3.17Å; E840-E844 PolarHBondContact O-N 3.03Å; E840-R857 IonicContact OE1-NH1 2.63Å; E840-R857 PolarHBondContact OE1-NH1 3Å; E840-R857 IonicContact OE2-NH1 2.93Å; E840-R857 PolarHBondContact OE2-NH1 3.14Å
841A81.4Confident76.2Confident53 Ų5394.7 Ų94.744%0.43845%0.453SS..Hα-helixtrans-62.8-39.4175.800000113.2T837 Y838 W839 K845T837-A841 WeakPolarHBondContact O-CB 3.35Å; T837-A841 PolarHBondContact O-N 2.83Å; Y838-A841 PolarHBondContact O-N 3.48Å; W839-A841 PolarHBondContact O-N 3.21Å; A841-K845 VanDerWaalsContact O-CB 3.28Å; A841-K845 WeakPolarHBondContact O-CB 3.32Å; A841-K845 PolarHBondContact O-N 2.78Å
842I78.2Confident75.1Confident61 Ų6192.4 Ų92.431%0.31345%0.445SS..Hα-helixtrans-64.4-45.4172.9-71.3174.1000110.8Y838 W839 E840 K845 N846Y838-I842 HydrophobicContact CD1-CD1 3.79Å; Y838-I842 HydrophobicContact CE1-CD1 3.24Å; Y838-I842 HydrophobicContact CE1-CG1 4.24Å; Y838-I842 HydrophobicContact CE2-CD1 4.48Å; Y838-I842 WeakPolarHBondContact O-CG1 3.47Å; Y838-I842 PolarHBondContact O-N 3.22Å; W839-I842 CarbonylContact O-C 3.58Å; W839-I842 WeakPolarHBondContact O-CB 3.18Å; W839-I842 PolarHBondContact O-N 2.85Å; E840-I842 PolarHBondContact O-N 3.22Å; I842-K845 PolarHBondContact O-N 3.44Å; I842-N846 WeakPolarHBondContact O-CB 3.35Å; I842-N846 PolarHBondContact O-N 3.06Å
843Y75.6Confident73.7Confident142 Ų14291.8 Ų91.856%0.55746%0.462SS*.Hα-helixtrans-60.9-46.3178.7-79-63.8000110.6W839 E840 K845 L847W839-Y843 HydrophobicContact CB-CD2 4.16Å; W839-Y843 HydrophobicContact CB-CE2 4.05Å; W839-Y843 WeakPolarHBondContact O-CB 3.27Å; W839-Y843 WeakPolarHBondContact O-CD2 3.32Å; W839-Y843 PolarHBondContact O-N 3.01Å; E840-Y843 PolarHBondContact O-N 3.33Å; Y843-K845 VanDerWaalsContact C-N 3.32Å; Y843-K845 PolarHBondContact O-N 3.44Å; Y843-L847 HydrophobicContact CD1-CD1 3.46Å; Y843-L847 VanDerWaalsContact CD1-CD1 3.46Å; Y843-L847 HydrophobicContact CE1-CD1 3.77Å; Y843-L847 CarbonylContact O-C 3.39Å; Y843-L847 VanDerWaalsContact O-CA 3.28Å; Y843-L847 WeakPolarHBondContact O-CA 3.43Å; Y843-L847 WeakPolarHBondContact O-CB 3.42Å; Y843-L847 PolarHBondContact O-N 2.9Å
844E73.7Confident72.1Confident70 Ų7093 Ų9333%0.32747%0.466SS..Hα-helixtrans-60.8-39.7174.4-75-175172.300112.2E840 C848E840-E844 WeakPolarHBondContact O-CB 3.22Å; E840-E844 WeakPolarHBondContact O-CG 3.17Å; E840-E844 PolarHBondContact O-N 3.03Å; E844-C848 VanDerWaalsContact O-CB 3.3Å; E844-C848 WeakPolarHBondContact O-CB 3.49Å
845K71.9Confident70.7Confident157 Ų15791.9 Ų91.968%0.68347%0.466SS*.Hα-helixtrans-74.8-39.8-178.4-173.8176.8180178.10113.9A841 I842 Y843A841-K845 VanDerWaalsContact O-CB 3.28Å; A841-K845 WeakPolarHBondContact O-CB 3.32Å; A841-K845 PolarHBondContact O-N 2.78Å; I842-K845 PolarHBondContact O-N 3.44Å; Y843-K845 VanDerWaalsContact C-N 3.32Å; Y843-K845 PolarHBondContact O-N 3.44Å
846N69Low69.7Low90 Ų9086 Ų8648%0.48145%0.445SS..Hα-helixtrans-101-30.7-171-70-28.4000113.5I842I842-N846 WeakPolarHBondContact O-CB 3.35Å; I842-N846 PolarHBondContact O-N 3.06Å
847L63.4Low68.8Low89 Ų8990.4 Ų90.447%0.46646%0.46SS..SBendtrans-113.727.4-178.7-71.1158.9000111.6Y843 C852Y843-L847 HydrophobicContact CD1-CD1 3.46Å; Y843-L847 VanDerWaalsContact CD1-CD1 3.46Å; Y843-L847 HydrophobicContact CE1-CD1 3.77Å; Y843-L847 CarbonylContact O-C 3.39Å; Y843-L847 VanDerWaalsContact O-CA 3.28Å; Y843-L847 WeakPolarHBondContact O-CA 3.43Å; Y843-L847 WeakPolarHBondContact O-CB 3.42Å; Y843-L847 PolarHBondContact O-N 2.9Å; L847-C852 VanDerWaalsContact C-SG 3.52Å; L847-C852 HydrophobicContact CD2-CB 4.23Å; L847-C852 PolarHBondContact O-SG 3.24Å
848C61.5Low67.8Low11 Ų1189.6 Ų89.67%0.07446%0.457CS..  trans-52.2143167.5174.20000111.4E844 L850 K851 C852 H859E844-C848 VanDerWaalsContact O-CB 3.3Å; E844-C848 WeakPolarHBondContact O-CB 3.49Å; C848-L850 PolarHBondContact O-N 3.11Å; C848-L850 VanDerWaalsContact O-N 3.12Å; C848-L850 PolarHBondContact SG-N 2.74Å; C848-L850 VanDerWaalsContact SG-N 3.43Å; C848-K851 PolarHBondContact O-N 2.8Å; C848-C852 PolarHBondContact O-N 3.39Å; C848-C852 PolarHBondContact O-SG 3.09Å; C848-C852 VanDerWaalsContact O-SG 3.37Å; C848-H859 PolarHBondContact SG-CE1 3.19Å; C848-H859 PolarHBondContact SG-ND1 2.96Å
849P62Low66.9Low33 Ų3387.2 Ų87.221%0.21445%0.451CS..Hα-helixtrans-52.3-33.2175.27.4-17.2000113.1K851 C852 G853 R854 C856 H859P849-K851 PolarHBondContact O-N 3.09Å; P849-C852 PolarHBondContact O-N 2.9Å; P849-G853 WeakPolarHBondContact O-CA 3.46Å; P849-G853 PolarHBondContact O-N 3.23Å; P849-R854 WeakPolarHBondContact CA-O 3.28Å; P849-R854 WeakPolarHBondContact CB-O 3.22Å; P849-R854 WeakPolarHBondContact CD-O 3.17Å; P849-R854 WeakPolarHBondContact CG-O 3.24Å; P849-R854 VanDerWaalsContact N-O 3.14Å; P849-C856 WeakPolarHBondContact CD-SG 3.35Å; P849-C856 HydrophobicContact CG-CB 4.48Å; P849-H859 HydrophobicContact CG-CB 3.82Å
850L61.7Low65.7Low142 Ų14295 Ų9574%0.74349%0.487SS*.Hα-helixtrans-64.9-18.4176.9-63.7174.7000113.8C848 H859C848-L850 PolarHBondContact O-N 3.11Å; C848-L850 VanDerWaalsContact O-N 3.12Å; C848-L850 PolarHBondContact SG-N 2.74Å; C848-L850 VanDerWaalsContact SG-N 3.43Å; L850-H859 VanDerWaalsContact CD1-NE2 3.3Å; L850-H859 WeakPolarHBondContact CD1-NE2 3.33Å
851K59.1Low65Low154 Ų15497.4 Ų97.467%0.6750%0.5SS*.Hα-helixtrans-108.9-28176.7-69.1-176.3179.9172.70113.8C848 P849C848-K851 PolarHBondContact O-N 2.8Å; P849-K851 PolarHBondContact O-N 3.09Å
852C63.9Low64.1Low55 Ų5599.7 Ų99.737%0.37250%0.503SS..Hα-helixtrans-131.7-5.6-171.677.10000116L847 C848 P849L847-C852 VanDerWaalsContact C-SG 3.52Å; L847-C852 HydrophobicContact CD2-CB 4.23Å; L847-C852 PolarHBondContact O-SG 3.24Å; C848-C852 PolarHBondContact O-N 3.39Å; C848-C852 PolarHBondContact O-SG 3.09Å; C848-C852 VanDerWaalsContact O-SG 3.37Å; P849-C852 PolarHBondContact O-N 2.9Å
853G60.6Low63.4Low68 Ų68101.8 Ų101.870%0.70151%0.514SS*.SBendtrans78.66.7-179.900000116.8P849P849-G853 WeakPolarHBondContact O-CA 3.46Å; P849-G853 PolarHBondContact O-N 3.23Å
854R53.4Low62.6Low183 Ų18399.5 Ų99.569%0.69151%0.511SS*.  trans-100.7135.3174.1-70.7-169.8177.5-166.52.7112.3P849P849-R854 WeakPolarHBondContact CA-O 3.28Å; P849-R854 WeakPolarHBondContact CB-O 3.22Å; P849-R854 WeakPolarHBondContact CD-O 3.17Å; P849-R854 WeakPolarHBondContact CG-O 3.24Å; P849-R854 VanDerWaalsContact N-O 3.14Å
855A58.1Low61.9Low85 Ų85101.3 Ų101.370%0.70252%0.523SS*.  trans-59.8134.9177.500000112.6
856C64.4Low61.3Low16 Ų1697.6 Ų97.611%0.10851%0.512CS..  trans-122.4164172.274.30000110.6P849 S858 H859 K860P849-C856 WeakPolarHBondContact CD-SG 3.35Å; P849-C856 HydrophobicContact CG-CB 4.48Å; C856-S858 VanDerWaalsContact C-N 3.32Å; C856-S858 PolarHBondContact O-N 2.81Å; C856-S858 PolarHBondContact SG-OG 3.27Å; C856-H859 PolarHBondContact O-N 2.88Å; C856-H859 PolarHBondContact SG-ND1 2.87Å; C856-K860 PolarHBondContact O-N 2.81Å
857R60.5Low60.7Low146 Ų14698.1 Ų98.155%0.55151%0.514SS*.G310 helixtrans-62.6-35.1-178.9-73.3-177.9175.9152.21.6113.3E840 H859E840-R857 IonicContact OE1-NH1 2.63Å; E840-R857 PolarHBondContact OE1-NH1 3Å; E840-R857 IonicContact OE2-NH1 2.93Å; E840-R857 PolarHBondContact OE2-NH1 3.14Å; R857-H859 PolarHBondContact O-N 3.15Å
858S60.7Low60.5Low67 Ų6798.8 Ų98.847%0.46952%0.518SS..G310 helixtrans-70.8-11178500000115.3C856C856-S858 VanDerWaalsContact C-N 3.32Å; C856-S858 PolarHBondContact O-N 2.81Å; C856-S858 PolarHBondContact SG-OG 3.27Å
859H64.6Low60.4Low98 Ų98106.2 Ų106.245%0.45456%0.555SS.*G310 helixtrans-128.610.4179.4-63.584.2000113.2C848 P849 L850 C856 R857C848-H859 PolarHBondContact SG-CE1 3.19Å; C848-H859 PolarHBondContact SG-ND1 2.96Å; P849-H859 HydrophobicContact CG-CB 3.82Å; L850-H859 VanDerWaalsContact CD1-NE2 3.3Å; L850-H859 WeakPolarHBondContact CD1-NE2 3.33Å; C856-H859 PolarHBondContact O-N 2.88Å; C856-H859 PolarHBondContact SG-ND1 2.87Å; R857-H859 PolarHBondContact O-N 3.15Å
860K56.3Low60.3Low227 Ų227112.8 Ų112.899%0.98759%0.586SS**  trans-78.90158.4-84.5-172.9173.9-172.80107.7C856C856-K860 PolarHBondContact O-N 2.81Å

Retrieved 860 of 860 residues in 1148.8 ms (Link to these results)

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