A0A096MPR8_PAPAN Loading...

Connector enhancer of kinase suppressor of Ras 1

AlphaFold DB , UniProt , Accession A0A096MPR8, Species PAPAN (Papio anubis, Olive baboon), Gene CNKSR1, Length 720 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
1M68.4Low85Confident68 Ų6863.4 Ų63.434%0.33536%0.363SS..  0136.80-173.5-176.5-68.400109.2L70 L199 V244 Q245 V250M1-L70 HydrophobicContact CE-CD2 3.85Å; M1-L70 HydrophobicContact SD-CD2 4.05Å; M1-L199 HydrophobicContact CB-CD1 3.7Å; M1-L199 HydrophobicContact CE-CD1 4.19Å; M1-L199 HydrophobicContact SD-CD1 4.25Å; M1-V244 HydrophobicContact CE-CG1 3.8Å; M1-Q245 HydrophobicContact CE-CB 4.35Å; M1-Q245 HydrophobicContact CE-CG 4.48Å; M1-V250 HydrophobicContact CE-CG1 4.25Å; M1-V250 HydrophobicContact CE-CG2 3.65Å; M1-V250 HydrophobicContact SD-CG2 4.27Å
2E75.8Confident85.5Confident104 Ų10458.2 Ų58.249%0.48633%0.333SS..  trans-81.9147.2174-60170.2117.100111.1V4 W7 K11E2-V4 PolarHBondContact O-N 3.42Å; E2-W7 PolarHBondContact O-NE1 3.12Å; E2-W7 VanDerWaalsContact O-NE1 3.08Å; E2-K11 IonicContact OE2-NZ 2.79Å; E2-K11 PolarHBondContact OE2-NZ 2.62Å
3P81.9Confident85.8Confident83 Ų8354 Ų5454%0.53931%0.31SS..  trans-56.3133.4176.8-23.533.9000112.2E5 T6P3-E5 PolarHBondContact O-N 3.19Å; P3-E5 VanDerWaalsContact O-N 3.12Å; P3-T6 HydrophobicContact CB-CG2 4.46Å; P3-T6 PolarHBondContact O-N 3.19Å; P3-T6 PolarHBondContact O-OG1 3.05Å
4V83.4Confident85.9Confident6 Ų655.4 Ų55.44%0.03632%0.321CS..G310 helixtrans-59.5-33-171.6-176.40000112.4E2 T6 W7 G35 L38 L39 L67E2-V4 PolarHBondContact O-N 3.42Å; V4-T6 PolarHBondContact O-N 3.24Å; V4-T6 VanDerWaalsContact O-N 3.14Å; V4-W7 HydrophobicContact CB-CD2 4.5Å; V4-W7 HydrophobicContact CG1-CD2 4.08Å; V4-W7 HydrophobicContact CG1-CE3 4.1Å; V4-W7 HydrophobicContact CG1-CZ3 4.32Å; V4-W7 HydrophobicContact CG2-CH2 4.38Å; V4-W7 HydrophobicContact CG2-CZ2 3.91Å; V4-W7 WeakPolarHBondContact O-CB 3.33Å; V4-W7 PolarHBondContact O-N 2.91Å; V4-W7 VanDerWaalsContact O-N 3.09Å; V4-G35 CarbonylContact O-C 3.44Å; V4-G35 VanDerWaalsContact O-CA 3.25Å; V4-G35 WeakPolarHBondContact O-CA 3.41Å; V4-L38 HydrophobicContact CG1-CD2 4.37Å; V4-L39 HydrophobicContact CB-CD1 4.23Å; V4-L39 HydrophobicContact CB-CD2 4.18Å; V4-L39 HydrophobicContact CB-CG 4.44Å; V4-L39 HydrophobicContact CG1-CD1 4.32Å; V4-L39 HydrophobicContact CG1-CD2 3.6Å; V4-L39 HydrophobicContact CG1-CG 3.98Å; V4-L67 HydrophobicContact CG1-CD2 3.68Å; V4-L67 HydrophobicContact CG1-CG 4.17Å; V4-L67 HydrophobicContact CG2-CD1 3.76Å; V4-L67 HydrophobicContact CG2-CD2 4.13Å; V4-L67 HydrophobicContact CG2-CG 3.77Å
5E85.9Confident86Confident137 Ų13751.9 Ų51.964%0.6430%0.3SS*.G310 helixtrans-56.1-29.4175.3-61.5-175.3168.200113.9P3 K36 L39P3-E5 PolarHBondContact O-N 3.19Å; P3-E5 VanDerWaalsContact O-N 3.12Å; E5-K36 HydrophobicContact CB-CB 4.5Å; E5-K36 PolarHBondContact O-N 3.17Å; E5-L39 HydrophobicContact CG-CD1 3.91Å
6T88.9Confident86Confident90 Ų9048.7 Ų48.755%0.55228%0.281SS*.G310 helixtrans-89.3-5.3-178.5710000113.6P3 V4 T8P3-T6 HydrophobicContact CB-CG2 4.46Å; P3-T6 PolarHBondContact O-N 3.19Å; P3-T6 PolarHBondContact O-OG1 3.05Å; V4-T6 PolarHBondContact O-N 3.24Å; V4-T6 VanDerWaalsContact O-N 3.14Å; T6-T8 PolarHBondContact O-N 2.89Å
7W90.3Very high86Confident6 Ų649.9 Ų49.92%0.02328%0.28CS..  trans-63.2133.5-177.4-69.99.9000112.2E2 V4 K11 V12 W15 G35 L38 L67 V250E2-W7 PolarHBondContact O-NE1 3.12Å; E2-W7 VanDerWaalsContact O-NE1 3.08Å; V4-W7 HydrophobicContact CB-CD2 4.5Å; V4-W7 HydrophobicContact CG1-CD2 4.08Å; V4-W7 HydrophobicContact CG1-CE3 4.1Å; V4-W7 HydrophobicContact CG1-CZ3 4.32Å; V4-W7 HydrophobicContact CG2-CH2 4.38Å; V4-W7 HydrophobicContact CG2-CZ2 3.91Å; V4-W7 WeakPolarHBondContact O-CB 3.33Å; V4-W7 PolarHBondContact O-N 2.91Å; V4-W7 VanDerWaalsContact O-N 3.09Å; W7-K11 HydrophobicContact CB-CB 4.33Å; W7-K11 HydrophobicContact CB-CD 4.35Å; W7-K11 HydrophobicContact CB-CG 4.38Å; W7-K11 HydrophobicContact CD2-CD 4.2Å; W7-K11 HydrophobicContact CD2-CG 4.13Å; W7-K11 HydrophobicContact CE3-CG 4.32Å; W7-K11 HydrophobicContact CG-CD 3.93Å; W7-K11 HydrophobicContact CG-CG 4.17Å; W7-V12 HydrophobicContact CB-CG2 4.06Å; W7-V12 HydrophobicContact CE3-CG2 4.28Å; W7-W15 AromaticContact CH2-CD1 3.92Å; W7-W15 HydrophobicContact CH2-CG 4.17Å; W7-W15 HydrophobicContact CZ3-CB 3.81Å; W7-W15 AromaticContact CZ3-CD1 3.87Å; W7-W15 HydrophobicContact CZ3-CD2 4.19Å; W7-W15 AromaticContact CZ3-CG 3.64Å; W7-W15 HydrophobicContact CZ3-CG 3.64Å; W7-G35 PolarHBondContact O-N 3.04Å; W7-L38 HydrophobicContact CE3-CD2 4.44Å; W7-L38 HydrophobicContact CZ3-CD2 4.39Å; W7-L67 HydrophobicContact CH2-CD1 3.77Å; W7-L67 HydrophobicContact CH2-CD2 3.86Å; W7-L67 HydrophobicContact CH2-CG 4.45Å; W7-L67 HydrophobicContact CZ2-CD1 4.25Å; W7-L67 HydrophobicContact CZ3-CD2 3.87Å; W7-V250 HydrophobicContact CH2-CG2 3.67Å; W7-V250 HydrophobicContact CZ2-CG2 3.97Å
8T91.7Very high85.5Confident86 Ų8647.3 Ų47.353%0.52827%0.266SS..  trans-69.7157175.466.40000111.2T6 G10 K11 V12T6-T8 PolarHBondContact O-N 2.89Å; T8-G10 PolarHBondContact O-N 3.25Å; T8-K11 PolarHBondContact O-N 3.12Å; T8-K11 PolarHBondContact OG1-N 2.82Å; T8-V12 PolarHBondContact O-N 3.04Å
9P92.6Very high85Confident40 Ų4045.6 Ų45.626%0.2626%0.257SS..Hα-helixtrans-55.6-33174.9-29.337.2000114.7V12 A13 L33P9-V12 PolarHBondContact O-N 3.47Å; P9-A13 WeakPolarHBondContact O-CB 3.4Å; P9-A13 PolarHBondContact O-N 3.44Å; P9-L33 WeakPolarHBondContact CA-O 3.38Å
10G88.9Confident84.6Confident44 Ų4444.9 Ų44.945%0.45425%0.252SS..Hα-helixtrans-63.4-46.6172.700000112.2T8 V12 A13 T14T8-G10 PolarHBondContact O-N 3.25Å; G10-V12 VanDerWaalsContact C-N 3.33Å; G10-V12 PolarHBondContact O-N 3.44Å; G10-A13 PolarHBondContact O-N 2.91Å; G10-T14 PolarHBondContact O-N 3.5Å; G10-T14 PolarHBondContact O-OG1 3.47Å
11K87.2Confident84.4Confident33 Ų3346.4 Ų46.414%0.14326%0.259CS..Hα-helixtrans-63.8-37.4177.7-169.3164.2-170.8151.70112.3E2 W7 T8 W15 E248E2-K11 IonicContact OE2-NZ 2.79Å; E2-K11 PolarHBondContact OE2-NZ 2.62Å; W7-K11 HydrophobicContact CB-CB 4.33Å; W7-K11 HydrophobicContact CB-CD 4.35Å; W7-K11 HydrophobicContact CB-CG 4.38Å; W7-K11 HydrophobicContact CD2-CD 4.2Å; W7-K11 HydrophobicContact CD2-CG 4.13Å; W7-K11 HydrophobicContact CE3-CG 4.32Å; W7-K11 HydrophobicContact CG-CD 3.93Å; W7-K11 HydrophobicContact CG-CG 4.17Å; T8-K11 PolarHBondContact O-N 3.12Å; T8-K11 PolarHBondContact OG1-N 2.82Å; K11-W15 WeakPolarHBondContact O-CB 3.44Å; K11-W15 PolarHBondContact O-N 3.42Å; K11-E248 WeakPolarHBondContact CE-OE2 3.46Å; K11-E248 IonicContact NZ-OE2 3.68Å; K11-E248 PolarHBondContact NZ-OE2 2.87Å
12V90.4Very high84.9Confident1 Ų145.3 Ų45.31%0.00626%0.259CS..Hα-helixtrans-66.1-42.9172.9173.70000111.7W7 T8 P9 G10 W15 L16 L33 L38W7-V12 HydrophobicContact CB-CG2 4.06Å; W7-V12 HydrophobicContact CE3-CG2 4.28Å; T8-V12 PolarHBondContact O-N 3.04Å; P9-V12 PolarHBondContact O-N 3.47Å; G10-V12 VanDerWaalsContact C-N 3.33Å; G10-V12 PolarHBondContact O-N 3.44Å; V12-W15 PolarHBondContact O-N 3.36Å; V12-L16 HydrophobicContact CG1-CD1 4.02Å; V12-L16 WeakPolarHBondContact O-CG 3.23Å; V12-L16 PolarHBondContact O-N 3.42Å; V12-L33 VanDerWaalsContact CB-O 3.29Å; V12-L33 WeakPolarHBondContact CB-O 3.48Å; V12-L33 HydrophobicContact CG1-CB 4.2Å; V12-L33 HydrophobicContact CG1-CD2 4.08Å; V12-L33 HydrophobicContact CG1-CG 4.29Å; V12-L33 WeakPolarHBondContact CG1-O 3.02Å; V12-L33 WeakPolarHBondContact CG2-O 3.08Å; V12-L38 HydrophobicContact CG1-CB 4.3Å; V12-L38 HydrophobicContact CG1-CD1 4Å; V12-L38 HydrophobicContact CG1-CD2 4.13Å; V12-L38 HydrophobicContact CG1-CG 4.37Å; V12-L38 HydrophobicContact CG2-CD2 4.25Å
13A90Very high85.3Confident4 Ų440.4 Ų40.43%0.03324%0.236CC..Hα-helixtrans-63.1-45.817600000111.6P9 G10 W15 L16 R17 F28 E29P9-A13 WeakPolarHBondContact O-CB 3.4Å; P9-A13 PolarHBondContact O-N 3.44Å; G10-A13 PolarHBondContact O-N 2.91Å; A13-W15 VanDerWaalsContact C-N 3.34Å; A13-W15 PolarHBondContact O-N 3.18Å; A13-L16 PolarHBondContact O-N 3.03Å; A13-R17 VanDerWaalsContact O-CG 3.26Å; A13-R17 WeakPolarHBondContact O-CG 3.28Å; A13-R17 PolarHBondContact O-N 2.97Å; A13-F28 HydrophobicContact CB-CB 3.88Å; A13-E29 HydrophobicContact CB-CG 4.27Å
14T86.8Confident85.5Confident74 Ų7439.3 Ų39.345%0.45422%0.224SC..Hα-helixtrans-57.4-45.4172.2-59.20000111.6G10 L16 R17 G18 Q249G10-T14 PolarHBondContact O-N 3.5Å; G10-T14 PolarHBondContact O-OG1 3.47Å; T14-L16 VanDerWaalsContact C-N 3.34Å; T14-L16 PolarHBondContact O-N 3.31Å; T14-R17 VanDerWaalsContact O-CB 3.32Å; T14-R17 WeakPolarHBondContact O-CB 3.12Å; T14-R17 PolarHBondContact O-N 3.24Å; T14-R17 VanDerWaalsContact O-N 3.14Å; T14-G18 PolarHBondContact O-N 3.24Å; T14-Q249 PolarHBondContact O-OE1 3.2Å; T14-Q249 VanDerWaalsContact O-OE1 3.07Å
15W87.3Confident85.7Confident2 Ų246.7 Ų46.71%0.00826%0.263CS..Hα-helixtrans-60.8-41.2178.3179.378.6000113.1W7 K11 V12 A13 G18 L19 L38 G63 V64 L67 Q249W7-W15 AromaticContact CH2-CD1 3.92Å; W7-W15 HydrophobicContact CH2-CG 4.17Å; W7-W15 HydrophobicContact CZ3-CB 3.81Å; W7-W15 AromaticContact CZ3-CD1 3.87Å; W7-W15 HydrophobicContact CZ3-CD2 4.19Å; W7-W15 AromaticContact CZ3-CG 3.64Å; W7-W15 HydrophobicContact CZ3-CG 3.64Å; K11-W15 WeakPolarHBondContact O-CB 3.44Å; K11-W15 PolarHBondContact O-N 3.42Å; V12-W15 PolarHBondContact O-N 3.36Å; A13-W15 VanDerWaalsContact C-N 3.34Å; A13-W15 PolarHBondContact O-N 3.18Å; W15-G18 PolarHBondContact O-N 3.06Å; W15-L19 HydrophobicContact CH2-CD1 3.94Å; W15-L19 HydrophobicContact CH2-CD2 3.96Å; W15-L19 HydrophobicContact CH2-CG 4.37Å; W15-L19 HydrophobicContact CZ2-CD2 3.76Å; W15-L19 HydrophobicContact CZ3-CD1 3.91Å; W15-L19 HydrophobicContact CZ3-CG 4.47Å; W15-L38 HydrophobicContact CD2-CD2 4.48Å; W15-L38 HydrophobicContact CE3-CD1 4.2Å; W15-L38 HydrophobicContact CE3-CD2 3.83Å; W15-L38 HydrophobicContact CZ3-CD1 3.84Å; W15-L38 HydrophobicContact CZ3-CD2 3.97Å; W15-L38 HydrophobicContact CZ3-CG 4.38Å; W15-G63 VanDerWaalsContact CH2-C 3.5Å; W15-G63 WeakPolarHBondContact CZ2-O 3.3Å; W15-V64 HydrophobicContact CH2-CG2 3.83Å; W15-V64 HydrophobicContact CZ3-CG2 3.98Å; W15-L67 HydrophobicContact CD2-CD2 4.38Å; W15-L67 HydrophobicContact CH2-CD2 4.33Å; W15-L67 HydrophobicContact CZ2-CB 4.34Å; W15-L67 HydrophobicContact CZ2-CD2 3.9Å; W15-Q249 VanDerWaalsContact CA-OE1 3.26Å; W15-Q249 VanDerWaalsContact CD1-NE2 3.31Å; W15-Q249 PolarHBondContact O-NE2 3.41Å; W15-Q249 VanDerWaalsContact O-NE2 3.09Å; W15-Q249 PolarHBondContact O-OE1 3.05Å
16L86.5Confident85.9Confident1 Ų141.8 Ų41.81%0.00524%0.239CC..Hα-helixtrans-66.6-36.3174.9-70.8167000112.2V12 A13 T14 G18 L19 F28 W31 L38 I60V12-L16 HydrophobicContact CG1-CD1 4.02Å; V12-L16 WeakPolarHBondContact O-CG 3.23Å; V12-L16 PolarHBondContact O-N 3.42Å; A13-L16 PolarHBondContact O-N 3.03Å; T14-L16 VanDerWaalsContact C-N 3.34Å; T14-L16 PolarHBondContact O-N 3.31Å; L16-G18 PolarHBondContact O-N 3.34Å; L16-L19 HydrophobicContact CD2-CD1 3.96Å; L16-L19 PolarHBondContact O-N 2.9Å; L16-F28 HydrophobicContact CB-CB 4.45Å; L16-F28 HydrophobicContact CB-CD1 3.75Å; L16-F28 HydrophobicContact CB-CD2 3.92Å; L16-F28 HydrophobicContact CB-CE1 3.8Å; L16-F28 HydrophobicContact CB-CE2 3.98Å; L16-F28 HydrophobicContact CB-CG 3.79Å; L16-F28 HydrophobicContact CB-CZ 3.9Å; L16-F28 HydrophobicContact CD1-CB 4.35Å; L16-F28 HydrophobicContact CD1-CD1 3.68Å; L16-F28 HydrophobicContact CD1-CE1 4.18Å; L16-F28 HydrophobicContact CD1-CG 4.16Å; L16-F28 HydrophobicContact CG-CD1 4.26Å; L16-F28 HydrophobicContact CG-CE1 4.39Å; L16-W31 HydrophobicContact CD1-CE3 3.91Å; L16-W31 HydrophobicContact CD1-CZ3 3.78Å; L16-L38 HydrophobicContact CD2-CD1 4.46Å; L16-I60 HydrophobicContact CD2-CG1 4.34Å; L16-I60 HydrophobicContact CD2-CG2 3.91Å
17R85.4Confident86.1Confident70 Ų7040.3 Ų40.326%0.26423%0.231SC..Hα-helixtrans-59.5-29.6172.7-69.7-78.7174.1-147.6-11.6112.3A13 T14 Q24 Y26 F28 E29A13-R17 VanDerWaalsContact O-CG 3.26Å; A13-R17 WeakPolarHBondContact O-CG 3.28Å; A13-R17 PolarHBondContact O-N 2.97Å; T14-R17 VanDerWaalsContact O-CB 3.32Å; T14-R17 WeakPolarHBondContact O-CB 3.12Å; T14-R17 PolarHBondContact O-N 3.24Å; T14-R17 VanDerWaalsContact O-N 3.14Å; R17-Q24 PolarHBondContact NH1-O 2.87Å; R17-Q24 PolarHBondContact O-NE2 3.08Å; R17-Y26 PolarHBondContact NH2-O 2.71Å; R17-F28 HydrophobicContact CG-CD2 3.97Å; R17-F28 HydrophobicContact CG-CE2 4.45Å; R17-E29 IonicContact CZ-OE1 2.64Å; R17-E29 IonicContact CZ-OE2 2.71Å; R17-E29 IonicContact NE-OE1 2.64Å; R17-E29 PolarHBondContact NE-OE1 3.1Å; R17-E29 IonicContact NE-OE2 2.69Å; R17-E29 IonicContact NH2-OE1 3.36Å; R17-E29 PolarHBondContact NH2-OE1 3.4Å; R17-E29 IonicContact NH2-OE2 3.99Å; R17-E29 PolarHBondContact NH2-OE2 2.87Å
18G77.9Confident86.2Confident3 Ų340.2 Ų40.23%0.03123%0.23CC..Hα-helixtrans-78.4-24.1178.700000115.8T14 W15 L16 W261T14-G18 PolarHBondContact O-N 3.24Å; W15-G18 PolarHBondContact O-N 3.06Å; L16-G18 PolarHBondContact O-N 3.34Å; G18-W261 WeakPolarHBondContact O-CZ2 3.31Å; G18-W261 PolarHBondContact O-NE1 2.82Å; G18-W261 VanDerWaalsContact O-NE1 3.09Å
19L75.6Confident86.3Confident15 Ų1540.2 Ų40.28%0.07922%0.224CC..Hα-helixtrans-56.7-64.1-166.9-72.2-178.7000113.9W15 L16 L23 I60 V252 W261 N265W15-L19 HydrophobicContact CH2-CD1 3.94Å; W15-L19 HydrophobicContact CH2-CD2 3.96Å; W15-L19 HydrophobicContact CH2-CG 4.37Å; W15-L19 HydrophobicContact CZ2-CD2 3.76Å; W15-L19 HydrophobicContact CZ3-CD1 3.91Å; W15-L19 HydrophobicContact CZ3-CG 4.47Å; L16-L19 HydrophobicContact CD2-CD1 3.96Å; L16-L19 PolarHBondContact O-N 2.9Å; L19-L23 HydrophobicContact CB-CD1 3.82Å; L19-L23 HydrophobicContact CD1-CD1 4.28Å; L19-I60 HydrophobicContact CD1-CG1 4.2Å; L19-V252 HydrophobicContact CD2-CG2 3.89Å; L19-W261 PolarHBondContact O-NE1 2.92Å; L19-N265 PolarHBondContact O-ND2 2.68Å
20D78Confident86.3Confident31 Ų3144.5 Ų44.517%0.16625%0.245CC..  trans-153.3159.8174.1-175.8-111.5000113S22 L23 Q24 L59 K264D20-S22 VanDerWaalsContact C-N 3.28Å; D20-S22 PolarHBondContact O-N 3.04Å; D20-S22 VanDerWaalsContact OD1-CB 3.27Å; D20-S22 WeakPolarHBondContact OD1-CB 3.38Å; D20-S22 PolarHBondContact OD1-N 3.42Å; D20-S22 PolarHBondContact OD1-OG 3.19Å; D20-L23 PolarHBondContact O-N 3.39Å; D20-Q24 PolarHBondContact O-NE2 3Å; D20-L59 HydrophobicContact CB-CD1 4.26Å; D20-K264 IonicContact OD2-NZ 2.75Å; D20-K264 PolarHBondContact OD2-NZ 3.24Å
21D78.8Confident86.5Confident76 Ų7644.1 Ų44.141%0.40623%0.23SC..G310 helixtrans-65-29-179.3-53.5-33.5000112.6L23 Q24 K264 R268D21-L23 PolarHBondContact O-N 2.96Å; D21-Q24 WeakPolarHBondContact O-CG 3.31Å; D21-K264 IonicContact OD2-NZ 2.95Å; D21-K264 PolarHBondContact OD2-NZ 3.39Å; D21-R268 IonicContact OD1-CZ 3.82Å; D21-R268 IonicContact OD1-NH1 2.99Å; D21-R268 PolarHBondContact OD1-NH1 2.86Å; D21-R268 IonicContact OD1-NH2 3.89Å; D21-R268 PolarHBondContact OD1-NH2 2.89Å; D21-R268 VanDerWaalsContact OD1-NH2 3.14Å; D21-R268 IonicContact OD2-NH1 3.14Å
22S80.5Confident86.8Confident46 Ų4648.7 Ų48.732%0.32225%0.252SS..G310 helixtrans-68.5-16.7176.559.30000114.4D20 H56D20-S22 VanDerWaalsContact C-N 3.28Å; D20-S22 PolarHBondContact O-N 3.04Å; D20-S22 VanDerWaalsContact OD1-CB 3.27Å; D20-S22 WeakPolarHBondContact OD1-CB 3.38Å; D20-S22 PolarHBondContact OD1-N 3.42Å; D20-S22 PolarHBondContact OD1-OG 3.19Å; S22-H56 PolarHBondContact O-CE1 3.01Å
23L83.4Confident86.9Confident0 Ų049.4 Ų49.40%026%0.256CS..G310 helixtrans-95.2-4.7-175.6-54.4178000113.4L19 D20 D21 D25 Y26 F28 H56 L59 I60L19-L23 HydrophobicContact CB-CD1 3.82Å; L19-L23 HydrophobicContact CD1-CD1 4.28Å; D20-L23 PolarHBondContact O-N 3.39Å; D21-L23 PolarHBondContact O-N 2.96Å; L23-D25 VanDerWaalsContact C-N 3.27Å; L23-D25 PolarHBondContact O-N 3.03Å; L23-Y26 HydrophobicContact CB-CD2 4.38Å; L23-Y26 HydrophobicContact CD2-CD2 4.49Å; L23-Y26 HydrophobicContact CD2-CE2 4.15Å; L23-Y26 VanDerWaalsContact O-CD2 3.31Å; L23-Y26 WeakPolarHBondContact O-CD2 3.28Å; L23-Y26 PolarHBondContact O-N 2.88Å; L23-F28 HydrophobicContact CB-CZ 3.99Å; L23-F28 VanDerWaalsContact O-CZ 3.26Å; L23-F28 WeakPolarHBondContact O-CZ 3.23Å; L23-H56 HydrophobicContact CD2-CB 3.54Å; L23-L59 HydrophobicContact CD1-CB 4.07Å; L23-L59 HydrophobicContact CD1-CD1 4.33Å; L23-L59 HydrophobicContact CD2-CD1 4.11Å; L23-L59 HydrophobicContact CG-CD1 4.23Å; L23-I60 HydrophobicContact CD1-CG1 3.94Å; L23-I60 HydrophobicContact CD2-CD1 4.5Å
24Q85.8Confident87Confident61 Ų6151 Ų5129%0.28527%0.266SS..THydrogen-bonded Turntrans-70.3-18.5-170.3-57.9-52.8-4500114.9R17 D20 D21 Y26R17-Q24 PolarHBondContact NH1-O 2.87Å; R17-Q24 PolarHBondContact O-NE2 3.08Å; D20-Q24 PolarHBondContact O-NE2 3Å; D21-Q24 WeakPolarHBondContact O-CG 3.31Å; Q24-Y26 PolarHBondContact O-N 2.86Å
25D87.8Confident87.1Confident161 Ų16147.5 Ų47.586%0.86124%0.244SC*.THydrogen-bonded Turntrans-72.5-7.3175.7-71-30.1000113.2L23L23-D25 VanDerWaalsContact C-N 3.27Å; L23-D25 PolarHBondContact O-N 3.03Å
26Y91.1Very high87.2Confident34 Ų3453.1 Ų53.113%0.13327%0.268CS..SBendtrans-83.5140.9177.2-67-60.4000112.9R17 L23 Q24 F28 W31 V51 H56R17-Y26 PolarHBondContact NH2-O 2.71Å; L23-Y26 HydrophobicContact CB-CD2 4.38Å; L23-Y26 HydrophobicContact CD2-CD2 4.49Å; L23-Y26 HydrophobicContact CD2-CE2 4.15Å; L23-Y26 VanDerWaalsContact O-CD2 3.31Å; L23-Y26 WeakPolarHBondContact O-CD2 3.28Å; L23-Y26 PolarHBondContact O-N 2.88Å; Q24-Y26 PolarHBondContact O-N 2.86Å; Y26-F28 VanDerWaalsContact C-N 3.31Å; Y26-F28 HydrophobicContact CD2-CE1 4.31Å; Y26-F28 HydrophobicContact CD2-CZ 4.36Å; Y26-F28 HydrophobicContact CG-CE1 4.35Å; Y26-F28 PolarHBondContact O-N 3.31Å; Y26-F28 VanDerWaalsContact O-N 3.09Å; Y26-W31 HydrophobicContact CD1-CZ2 4.29Å; Y26-W31 HydrophobicContact CG-CZ2 4.14Å; Y26-V51 HydrophobicContact CD1-CG2 4.11Å; Y26-V51 HydrophobicContact CD2-CG2 4.38Å; Y26-V51 HydrophobicContact CE1-CB 4.41Å; Y26-V51 HydrophobicContact CE1-CG2 3.9Å; Y26-V51 HydrophobicContact CE2-CG1 4.23Å; Y26-V51 HydrophobicContact CE2-CG2 4.17Å; Y26-V51 HydrophobicContact CG-CG2 4.38Å; Y26-H56 HydrophobicContact CE2-CB 4.17Å; Y26-H56 AromaticContact CE2-ND1 3.47Å; Y26-H56 WeakPolarHBondContact CE2-ND1 3.37Å; Y26-H56 AromaticContact CZ-ND1 3.64Å; Y26-H56 PolarHBondContact OH-ND1 3.25Å
27P91.8Very high87.4Confident59 Ų5956.3 Ų56.338%0.38329%0.286SS..  trans-86.368.6176.836.2-35.6000110.6E29 D30 W31P27-E29 PolarHBondContact O-N 2.74Å; P27-E29 VanDerWaalsContact O-N 3.17Å; P27-D30 HydrophobicContact CB-CB 4.14Å; P27-D30 PolarHBondContact O-N 3.49Å; P27-W31 PolarHBondContact O-N 3.41Å
28F93Very high87.7Confident3 Ų353 Ų531%0.01327%0.273CS..THydrogen-bonded Turntrans-56.4-32.2-178.3-57.9-54.1000113.2A13 L16 R17 L23 Y26 D30 W31A13-F28 HydrophobicContact CB-CB 3.88Å; L16-F28 HydrophobicContact CB-CB 4.45Å; L16-F28 HydrophobicContact CB-CD1 3.75Å; L16-F28 HydrophobicContact CB-CD2 3.92Å; L16-F28 HydrophobicContact CB-CE1 3.8Å; L16-F28 HydrophobicContact CB-CE2 3.98Å; L16-F28 HydrophobicContact CB-CG 3.79Å; L16-F28 HydrophobicContact CB-CZ 3.9Å; L16-F28 HydrophobicContact CD1-CB 4.35Å; L16-F28 HydrophobicContact CD1-CD1 3.68Å; L16-F28 HydrophobicContact CD1-CE1 4.18Å; L16-F28 HydrophobicContact CD1-CG 4.16Å; L16-F28 HydrophobicContact CG-CD1 4.26Å; L16-F28 HydrophobicContact CG-CE1 4.39Å; R17-F28 HydrophobicContact CG-CD2 3.97Å; R17-F28 HydrophobicContact CG-CE2 4.45Å; L23-F28 HydrophobicContact CB-CZ 3.99Å; L23-F28 VanDerWaalsContact O-CZ 3.26Å; L23-F28 WeakPolarHBondContact O-CZ 3.23Å; Y26-F28 VanDerWaalsContact C-N 3.31Å; Y26-F28 HydrophobicContact CD2-CE1 4.31Å; Y26-F28 HydrophobicContact CD2-CZ 4.36Å; Y26-F28 HydrophobicContact CG-CE1 4.35Å; Y26-F28 PolarHBondContact O-N 3.31Å; Y26-F28 VanDerWaalsContact O-N 3.09Å; F28-D30 VanDerWaalsContact C-N 3.32Å; F28-D30 PolarHBondContact O-N 2.64Å; F28-W31 HydrophobicContact CD1-CD2 4.22Å; F28-W31 AromaticContact CD1-CE3 3.88Å; F28-W31 HydrophobicContact CD1-CE3 3.88Å; F28-W31 AromaticContact CD1-CH2 3.59Å; F28-W31 HydrophobicContact CD1-CH2 3.59Å; F28-W31 AromaticContact CD1-CZ2 3.95Å; F28-W31 HydrophobicContact CD1-CZ2 3.95Å; F28-W31 AromaticContact CD1-CZ3 3.56Å; F28-W31 HydrophobicContact CD1-CZ3 3.56Å; F28-W31 AromaticContact CE1-CH2 3.57Å; F28-W31 HydrophobicContact CE1-CH2 3.57Å; F28-W31 HydrophobicContact CE1-CZ2 4.13Å; F28-W31 AromaticContact CE1-CZ3 3.85Å; F28-W31 HydrophobicContact CE1-CZ3 3.85Å; F28-W31 WeakPolarHBondContact O-CB 3.4Å; F28-W31 PolarHBondContact O-N 3.19Å
29E93.1Very high88.1Confident86 Ų8654.7 Ų54.740%0.40228%0.281SS..THydrogen-bonded Turntrans-67-32.6179.2-59.275.6-166.800111.7A13 R17 P27 Q32A13-E29 HydrophobicContact CB-CG 4.27Å; R17-E29 IonicContact CZ-OE1 2.64Å; R17-E29 IonicContact CZ-OE2 2.71Å; R17-E29 IonicContact NE-OE1 2.64Å; R17-E29 PolarHBondContact NE-OE1 3.1Å; R17-E29 IonicContact NE-OE2 2.69Å; R17-E29 IonicContact NH2-OE1 3.36Å; R17-E29 PolarHBondContact NH2-OE1 3.4Å; R17-E29 IonicContact NH2-OE2 3.99Å; R17-E29 PolarHBondContact NH2-OE2 2.87Å; P27-E29 PolarHBondContact O-N 2.74Å; P27-E29 VanDerWaalsContact O-N 3.17Å; E29-Q32 PolarHBondContact O-NE2 2.83Å
30D92.8Very high88.6Confident131 Ų13161.3 Ų61.370%0.70131%0.312SS*.THydrogen-bonded Turntrans-77.8-21.7176.2-70.3-23.4000112.5P27 F28 Q32P27-D30 HydrophobicContact CB-CB 4.14Å; P27-D30 PolarHBondContact O-N 3.49Å; F28-D30 VanDerWaalsContact C-N 3.32Å; F28-D30 PolarHBondContact O-N 2.64Å; D30-Q32 PolarHBondContact O-N 3.07Å
31W93.4Very high89Confident35 Ų3561 Ų6113%0.13331%0.31CS..THydrogen-bonded Turntrans-66.8-23.7-179.3-64.71.1000112.9L16 Y26 P27 F28 L33 L49 V51 I60L16-W31 HydrophobicContact CD1-CE3 3.91Å; L16-W31 HydrophobicContact CD1-CZ3 3.78Å; Y26-W31 HydrophobicContact CD1-CZ2 4.29Å; Y26-W31 HydrophobicContact CG-CZ2 4.14Å; P27-W31 PolarHBondContact O-N 3.41Å; F28-W31 HydrophobicContact CD1-CD2 4.22Å; F28-W31 AromaticContact CD1-CE3 3.88Å; F28-W31 HydrophobicContact CD1-CE3 3.88Å; F28-W31 AromaticContact CD1-CH2 3.59Å; F28-W31 HydrophobicContact CD1-CH2 3.59Å; F28-W31 AromaticContact CD1-CZ2 3.95Å; F28-W31 HydrophobicContact CD1-CZ2 3.95Å; F28-W31 AromaticContact CD1-CZ3 3.56Å; F28-W31 HydrophobicContact CD1-CZ3 3.56Å; F28-W31 AromaticContact CE1-CH2 3.57Å; F28-W31 HydrophobicContact CE1-CH2 3.57Å; F28-W31 HydrophobicContact CE1-CZ2 4.13Å; F28-W31 AromaticContact CE1-CZ3 3.85Å; F28-W31 HydrophobicContact CE1-CZ3 3.85Å; F28-W31 WeakPolarHBondContact O-CB 3.4Å; F28-W31 PolarHBondContact O-N 3.19Å; W31-L33 HydrophobicContact CB-CB 4.33Å; W31-L33 PolarHBondContact O-N 2.81Å; W31-L49 HydrophobicContact CB-CD2 4.13Å; W31-L49 HydrophobicContact CD2-CB 4.21Å; W31-L49 HydrophobicContact CD2-CD1 4.04Å; W31-L49 HydrophobicContact CD2-CD2 4.1Å; W31-L49 HydrophobicContact CD2-CG 4.35Å; W31-L49 HydrophobicContact CE3-CD1 3.81Å; W31-L49 HydrophobicContact CG-CD2 3.85Å; W31-L49 HydrophobicContact CH2-CB 4.46Å; W31-L49 HydrophobicContact CZ2-CB 4.07Å; W31-L49 HydrophobicContact CZ3-CD1 4.14Å; W31-V51 HydrophobicContact CH2-CG2 3.48Å; W31-V51 VanDerWaalsContact CH2-CG2 3.48Å; W31-V51 HydrophobicContact CZ2-CG2 3.61Å; W31-I60 HydrophobicContact CH2-CD1 4.29Å
32Q92.6Very high89.2Confident129 Ų12959.9 Ų59.960%0.60331%0.308SS*.  trans4933-180-67.3-66.9-55.800113.6E29 D30 P34E29-Q32 PolarHBondContact O-NE2 2.83Å; D30-Q32 PolarHBondContact O-N 3.07Å; Q32-P34 VanDerWaalsContact O-CD 3.27Å; Q32-P34 WeakPolarHBondContact O-CD 3.2Å
33L92.4Very high89.2Confident17 Ų1760.7 Ų60.79%0.08931%0.312CS..  trans-78.5111.9-169.6-173.769.8000111.3P9 V12 W31 N37 L38 L41P9-L33 WeakPolarHBondContact CA-O 3.38Å; V12-L33 VanDerWaalsContact CB-O 3.29Å; V12-L33 WeakPolarHBondContact CB-O 3.48Å; V12-L33 HydrophobicContact CG1-CB 4.2Å; V12-L33 HydrophobicContact CG1-CD2 4.08Å; V12-L33 HydrophobicContact CG1-CG 4.29Å; V12-L33 WeakPolarHBondContact CG1-O 3.02Å; V12-L33 WeakPolarHBondContact CG2-O 3.08Å; W31-L33 HydrophobicContact CB-CB 4.33Å; W31-L33 PolarHBondContact O-N 2.81Å; L33-N37 HydrophobicContact CD1-CB 3.55Å; L33-N37 HydrophobicContact CG-CB 4.35Å; L33-L38 HydrophobicContact CD2-CB 4.35Å; L33-L38 HydrophobicContact CD2-CD1 4.03Å; L33-L41 HydrophobicContact CD2-CD1 4.12Å; L33-L41 HydrophobicContact CD2-CD2 4.25Å; L33-L41 HydrophobicContact CD2-CG 4.41Å
34P92.8Very high89Confident37 Ų3770.7 Ų70.724%0.2435%0.35CS..  trans-76.3155.317633.2-36.4000111.3Q32 K36 N37 L38Q32-P34 VanDerWaalsContact O-CD 3.27Å; Q32-P34 WeakPolarHBondContact O-CD 3.2Å; P34-K36 VanDerWaalsContact C-N 3.33Å; P34-K36 HydrophobicContact CB-CG 4.46Å; P34-K36 HydrophobicContact CG-CG 4.24Å; P34-K36 PolarHBondContact O-N 2.87Å; P34-N37 HydrophobicContact CG-CB 4Å; P34-N37 WeakPolarHBondContact CG-OD1 3.36Å; P34-N37 WeakPolarHBondContact O-CA 3.39Å; P34-N37 WeakPolarHBondContact O-CB 3.17Å; P34-N37 PolarHBondContact O-N 2.81Å; P34-L38 PolarHBondContact O-N 3.04Å; P34-L38 VanDerWaalsContact O-N 3.07Å
35G88.9Confident89.2Confident0 Ų069.5 Ų69.50%035%0.348CS..Hα-helixtrans-57.4-37.6-17400000115.2V4 W7 N37 L38 L39V4-G35 CarbonylContact O-C 3.44Å; V4-G35 VanDerWaalsContact O-CA 3.25Å; V4-G35 WeakPolarHBondContact O-CA 3.41Å; W7-G35 PolarHBondContact O-N 3.04Å; G35-N37 PolarHBondContact O-N 3.05Å; G35-L38 VanDerWaalsContact O-CB 3.28Å; G35-L38 WeakPolarHBondContact O-CB 3.25Å; G35-L38 PolarHBondContact O-N 3.49Å; G35-L38 VanDerWaalsContact O-N 3.08Å; G35-L39 PolarHBondContact O-N 3.45Å; G35-L39 VanDerWaalsContact O-N 3.13Å
36K89.7Confident89.1Confident120 Ų12061.8 Ų61.852%0.52231%0.307SS..Hα-helixtrans-57.9-28.7171.573.7-175.7-175.7176.60114.5E5 P34 Q40E5-K36 HydrophobicContact CB-CB 4.5Å; E5-K36 PolarHBondContact O-N 3.17Å; P34-K36 VanDerWaalsContact C-N 3.33Å; P34-K36 HydrophobicContact CB-CG 4.46Å; P34-K36 HydrophobicContact CG-CG 4.24Å; P34-K36 PolarHBondContact O-N 2.87Å; K36-Q40 WeakPolarHBondContact O-CG 3.43Å
37N91.2Very high88.8Confident69 Ų6965.2 Ų65.237%0.36932%0.324SS..Hα-helixtrans-87.3-30.2176-73.143.7000111L33 P34 G35 L39 Q40 L41L33-N37 HydrophobicContact CD1-CB 3.55Å; L33-N37 HydrophobicContact CG-CB 4.35Å; P34-N37 HydrophobicContact CG-CB 4Å; P34-N37 WeakPolarHBondContact CG-OD1 3.36Å; P34-N37 WeakPolarHBondContact O-CA 3.39Å; P34-N37 WeakPolarHBondContact O-CB 3.17Å; P34-N37 PolarHBondContact O-N 2.81Å; G35-N37 PolarHBondContact O-N 3.05Å; N37-L39 VanDerWaalsContact C-N 3.3Å; N37-L39 PolarHBondContact O-N 3.45Å; N37-Q40 CarbonylContact O-C 3.39Å; N37-Q40 PolarHBondContact O-N 3.44Å; N37-L41 PolarHBondContact O-N 3.24Å
38L90.3Very high88.6Confident0 Ų066.6 Ų66.60%034%0.34CS..Hα-helixtrans-55.7-47.2171.6179.770.6000110.4V4 W7 V12 W15 L16 L33 P34 G35 Q40 L41 V64 L67V4-L38 HydrophobicContact CG1-CD2 4.37Å; W7-L38 HydrophobicContact CE3-CD2 4.44Å; W7-L38 HydrophobicContact CZ3-CD2 4.39Å; V12-L38 HydrophobicContact CG1-CB 4.3Å; V12-L38 HydrophobicContact CG1-CD1 4Å; V12-L38 HydrophobicContact CG1-CD2 4.13Å; V12-L38 HydrophobicContact CG1-CG 4.37Å; V12-L38 HydrophobicContact CG2-CD2 4.25Å; W15-L38 HydrophobicContact CD2-CD2 4.48Å; W15-L38 HydrophobicContact CE3-CD1 4.2Å; W15-L38 HydrophobicContact CE3-CD2 3.83Å; W15-L38 HydrophobicContact CZ3-CD1 3.84Å; W15-L38 HydrophobicContact CZ3-CD2 3.97Å; W15-L38 HydrophobicContact CZ3-CG 4.38Å; L16-L38 HydrophobicContact CD2-CD1 4.46Å; L33-L38 HydrophobicContact CD2-CB 4.35Å; L33-L38 HydrophobicContact CD2-CD1 4.03Å; P34-L38 PolarHBondContact O-N 3.04Å; P34-L38 VanDerWaalsContact O-N 3.07Å; G35-L38 VanDerWaalsContact O-CB 3.28Å; G35-L38 WeakPolarHBondContact O-CB 3.25Å; G35-L38 PolarHBondContact O-N 3.49Å; G35-L38 VanDerWaalsContact O-N 3.08Å; L38-Q40 PolarHBondContact O-N 3.22Å; L38-Q40 VanDerWaalsContact O-N 3.11Å; L38-L41 HydrophobicContact CD1-CD1 3.79Å; L38-L41 WeakPolarHBondContact O-CB 3.39Å; L38-L41 WeakPolarHBondContact O-CG 2.97Å; L38-L41 PolarHBondContact O-N 3.17Å; L38-V64 HydrophobicContact CD1-CG2 3.64Å; L38-V64 HydrophobicContact CG-CG2 3.78Å; L38-V64 WeakPolarHBondContact O-CG1 3.24Å; L38-L67 HydrophobicContact CD2-CD2 3.93Å
39L86.4Confident88.5Confident39 Ų3968.5 Ų68.520%0.20435%0.35CS..THydrogen-bonded Turntrans-65.4-9.6176-58.8-169.5000114.7V4 E5 G35 N37 V64 Q68V4-L39 HydrophobicContact CB-CD1 4.23Å; V4-L39 HydrophobicContact CB-CD2 4.18Å; V4-L39 HydrophobicContact CB-CG 4.44Å; V4-L39 HydrophobicContact CG1-CD1 4.32Å; V4-L39 HydrophobicContact CG1-CD2 3.6Å; V4-L39 HydrophobicContact CG1-CG 3.98Å; E5-L39 HydrophobicContact CG-CD1 3.91Å; G35-L39 PolarHBondContact O-N 3.45Å; G35-L39 VanDerWaalsContact O-N 3.13Å; N37-L39 VanDerWaalsContact C-N 3.3Å; N37-L39 PolarHBondContact O-N 3.45Å; L39-V64 HydrophobicContact CD2-CG1 4.44Å; L39-Q68 HydrophobicContact CD2-CG 3.71Å; L39-Q68 PolarHBondContact O-NE2 2.82Å
40Q86.7Confident88.4Confident154 Ų15467.5 Ų67.572%0.7236%0.357SS*.THydrogen-bonded Turntrans-113.214.1179.8-63.2-178.93.800112.3K36 N37 L38K36-Q40 WeakPolarHBondContact O-CG 3.43Å; N37-Q40 CarbonylContact O-C 3.39Å; N37-Q40 PolarHBondContact O-N 3.44Å; L38-Q40 PolarHBondContact O-N 3.22Å; L38-Q40 VanDerWaalsContact O-N 3.11Å
41L87.1Confident88Confident23 Ų2361.2 Ų61.212%0.1232%0.323CS..  trans-64.4141.3174.1-73.8-179.8000111.6L33 N37 L38 S45 L46 L49 I60 L61 V64L33-L41 HydrophobicContact CD2-CD1 4.12Å; L33-L41 HydrophobicContact CD2-CD2 4.25Å; L33-L41 HydrophobicContact CD2-CG 4.41Å; N37-L41 PolarHBondContact O-N 3.24Å; L38-L41 HydrophobicContact CD1-CD1 3.79Å; L38-L41 WeakPolarHBondContact O-CB 3.39Å; L38-L41 WeakPolarHBondContact O-CG 2.97Å; L38-L41 PolarHBondContact O-N 3.17Å; L41-S45 WeakPolarHBondContact CD2-OG 3.34Å; L41-L46 HydrophobicContact CD1-CD2 4.12Å; L41-L46 HydrophobicContact CD2-CD2 4.34Å; L41-L46 HydrophobicContact CD2-CG 4.49Å; L41-L49 HydrophobicContact CD2-CD1 4.21Å; L41-I60 HydrophobicContact CD1-CG2 3.88Å; L41-L61 HydrophobicContact CB-CD2 3.88Å; L41-L61 WeakPolarHBondContact O-CD2 3.28Å; L41-V64 HydrophobicContact CD1-CG2 4.41Å
42C82.2Confident87.3Confident54 Ų5468.9 Ų68.937%0.36535%0.352SS..  trans-140.5168.8172.366.50000108.8R44 S45 L46C42-R44 PolarHBondContact O-N 2.9Å; C42-R44 VanDerWaalsContact O-N 3.12Å; C42-S45 PolarHBondContact N-OG 3.02Å; C42-S45 PolarHBondContact O-N 3.41Å; C42-S45 VanDerWaalsContact O-N 3.08Å; C42-S45 PolarHBondContact O-OG 3.46Å; C42-L46 PolarHBondContact O-N 2.99Å; C42-L46 VanDerWaalsContact O-N 3.09Å
43P80.1Confident86.7Confident63 Ų6366 Ų6641%0.40935%0.345SS..Hα-helixtrans-50.9-40177.9-30.736.9000113.4S45 L46 E47 L61P43-S45 PolarHBondContact O-N 3.44Å; P43-L46 PolarHBondContact O-N 3.03Å; P43-E47 WeakPolarHBondContact O-CG 3.4Å; P43-E47 PolarHBondContact O-N 3.48Å; P43-L61 HydrophobicContact CG-CD1 3.78Å
44R80.9Confident85.8Confident210 Ų21070.7 Ų70.779%0.79237%0.37SS*.Hα-helixtrans-67.2-35.7-179.6-62.8-178.7-177.9170.12.2113.9C42 A48C42-R44 PolarHBondContact O-N 2.9Å; C42-R44 VanDerWaalsContact O-N 3.12Å; R44-A48 PolarHBondContact O-N 3.12Å
45S88.8Confident84.7Confident35 Ų3570.6 Ų70.625%0.24538%0.376CS..Hα-helixtrans-75.8-32.2175.7570000111.4L41 C42 P43 A48 L49L41-S45 WeakPolarHBondContact CD2-OG 3.34Å; C42-S45 PolarHBondContact N-OG 3.02Å; C42-S45 PolarHBondContact O-N 3.41Å; C42-S45 VanDerWaalsContact O-N 3.08Å; C42-S45 PolarHBondContact O-OG 3.46Å; P43-S45 PolarHBondContact O-N 3.44Å; S45-A48 WeakPolarHBondContact O-CB 3.45Å; S45-A48 PolarHBondContact O-N 3.32Å; S45-L49 WeakPolarHBondContact O-CG 3.45Å; S45-L49 PolarHBondContact O-N 3.34Å
46L85.9Confident84.3Confident0 Ų072.8 Ų72.80%039%0.386CS..Hα-helixtrans-68.3-40.1173.6-75.6174.3000112.5L41 C42 P43 A48 L49 A50 V51 Q57 I60 L61L41-L46 HydrophobicContact CD1-CD2 4.12Å; L41-L46 HydrophobicContact CD2-CD2 4.34Å; L41-L46 HydrophobicContact CD2-CG 4.49Å; C42-L46 PolarHBondContact O-N 2.99Å; C42-L46 VanDerWaalsContact O-N 3.09Å; P43-L46 PolarHBondContact O-N 3.03Å; L46-A48 VanDerWaalsContact C-N 3.26Å; L46-A48 PolarHBondContact O-N 3.46Å; L46-L49 CarbonylContact O-C 3.15Å; L46-L49 WeakPolarHBondContact O-CA 3.29Å; L46-L49 PolarHBondContact O-N 3.4Å; L46-L49 VanDerWaalsContact O-N 3.1Å; L46-A50 PolarHBondContact O-N 3.26Å; L46-V51 CarbonylContact C-O 3.58Å; L46-V51 HydrophobicContact CB-CB 4.13Å; L46-V51 HydrophobicContact CD2-CB 4.35Å; L46-V51 HydrophobicContact CD2-CG2 4.22Å; L46-V51 WeakPolarHBondContact O-CB 3.38Å; L46-V51 PolarHBondContact O-N 3.46Å; L46-Q57 HydrophobicContact CB-CG 4.13Å; L46-Q57 HydrophobicContact CD1-CB 4.04Å; L46-Q57 HydrophobicContact CD1-CG 4.2Å; L46-I60 HydrophobicContact CD1-CB 4.33Å; L46-I60 HydrophobicContact CD1-CG2 4.31Å; L46-I60 HydrophobicContact CD2-CD1 4.21Å; L46-I60 HydrophobicContact CD2-CG2 4.02Å; L46-L61 HydrophobicContact CD1-CD1 4.08Å; L46-L61 HydrophobicContact CD1-CD2 3.65Å; L46-L61 HydrophobicContact CD1-CG 3.56Å
47E84.2Confident83.7Confident105 Ų10567.6 Ų67.649%0.49136%0.364SS..Hα-helixtrans-58.9-36.8170.5-75179.2179.600112.8P43 A50P43-E47 WeakPolarHBondContact O-CG 3.4Å; P43-E47 PolarHBondContact O-N 3.48Å; E47-A50 WeakPolarHBondContact O-CA 3.44Å; E47-A50 PolarHBondContact O-N 3.38Å; E47-A50 VanDerWaalsContact O-N 3.13Å
48A88.8Confident82.9Confident88 Ų8870.3 Ų70.373%0.72737%0.374SS*.Hα-helixtrans-70.3-30.4175.600000112.7R44 S45 L46 A50R44-A48 PolarHBondContact O-N 3.12Å; S45-A48 WeakPolarHBondContact O-CB 3.45Å; S45-A48 PolarHBondContact O-N 3.32Å; L46-A48 VanDerWaalsContact C-N 3.26Å; L46-A48 PolarHBondContact O-N 3.46Å; A48-A50 PolarHBondContact O-N 3.23Å
49L91.1Very high82.2Confident43 Ų4371.9 Ų71.923%0.22538%0.382CS..THydrogen-bonded Turntrans-82.315.7168.8-63.3171.5000112.9W31 L41 S45 L46 V51W31-L49 HydrophobicContact CB-CD2 4.13Å; W31-L49 HydrophobicContact CD2-CB 4.21Å; W31-L49 HydrophobicContact CD2-CD1 4.04Å; W31-L49 HydrophobicContact CD2-CD2 4.1Å; W31-L49 HydrophobicContact CD2-CG 4.35Å; W31-L49 HydrophobicContact CE3-CD1 3.81Å; W31-L49 HydrophobicContact CG-CD2 3.85Å; W31-L49 HydrophobicContact CH2-CB 4.46Å; W31-L49 HydrophobicContact CZ2-CB 4.07Å; W31-L49 HydrophobicContact CZ3-CD1 4.14Å; L41-L49 HydrophobicContact CD2-CD1 4.21Å; S45-L49 WeakPolarHBondContact O-CG 3.45Å; S45-L49 PolarHBondContact O-N 3.34Å; L46-L49 CarbonylContact O-C 3.15Å; L46-L49 WeakPolarHBondContact O-CA 3.29Å; L46-L49 PolarHBondContact O-N 3.4Å; L46-L49 VanDerWaalsContact O-N 3.1Å; L49-V51 PolarHBondContact O-N 2.95Å
50A89.2Confident81.9Confident65 Ų6570 Ų7054%0.53737%0.372SS..THydrogen-bonded Turntrans64.56.4-178.700000116.8L46 E47 A48 R52L46-A50 PolarHBondContact O-N 3.26Å; E47-A50 WeakPolarHBondContact O-CA 3.44Å; E47-A50 PolarHBondContact O-N 3.38Å; E47-A50 VanDerWaalsContact O-N 3.13Å; A48-A50 PolarHBondContact O-N 3.23Å; A50-R52 PolarHBondContact O-N 3.16Å
51V86.2Confident81.5Confident0 Ų064.6 Ų64.60%035%0.348CS..  trans-76.491.5171.2-173.10000109.1Y26 W31 L46 L49 H56 Q57 I60Y26-V51 HydrophobicContact CD1-CG2 4.11Å; Y26-V51 HydrophobicContact CD2-CG2 4.38Å; Y26-V51 HydrophobicContact CE1-CB 4.41Å; Y26-V51 HydrophobicContact CE1-CG2 3.9Å; Y26-V51 HydrophobicContact CE2-CG1 4.23Å; Y26-V51 HydrophobicContact CE2-CG2 4.17Å; Y26-V51 HydrophobicContact CG-CG2 4.38Å; W31-V51 HydrophobicContact CH2-CG2 3.48Å; W31-V51 VanDerWaalsContact CH2-CG2 3.48Å; W31-V51 HydrophobicContact CZ2-CG2 3.61Å; L46-V51 CarbonylContact C-O 3.58Å; L46-V51 HydrophobicContact CB-CB 4.13Å; L46-V51 HydrophobicContact CD2-CB 4.35Å; L46-V51 HydrophobicContact CD2-CG2 4.22Å; L46-V51 WeakPolarHBondContact O-CB 3.38Å; L46-V51 PolarHBondContact O-N 3.46Å; L49-V51 PolarHBondContact O-N 2.95Å; V51-H56 HydrophobicContact CG1-CB 3.77Å; V51-Q57 HydrophobicContact CG1-CG 3.92Å; V51-Q57 PolarHBondContact O-NE2 3.41Å; V51-I60 HydrophobicContact CG1-CD1 4.29Å; V51-I60 HydrophobicContact CG2-CD1 4.29Å
52R77.7Confident80.8Confident196 Ų19663.7 Ų63.774%0.7434%0.344SS*.  trans-104.6-8.2-178.3-64.8-177.6-178.4170.21.4114.9A50A50-R52 PolarHBondContact O-N 3.16Å
53C80.5Confident80.4Confident67 Ų6761.2 Ų61.245%0.45333%0.328SS..  trans-81.1118.3177.1-64.40000108.5G55 H56 Q57C53-G55 PolarHBondContact O-N 3.36Å; C53-H56 HydrophobicContact CB-CB 4.02Å; C53-H56 WeakPolarHBondContact O-CA 2.96Å; C53-H56 WeakPolarHBondContact O-CB 3.35Å; C53-H56 PolarHBondContact O-N 2.85Å; C53-Q57 PolarHBondContact O-N 3.44Å
54L72.9Confident80.5Confident116 Ų11658.4 Ų58.461%0.60731%0.31SS*.Hα-helixtrans-53.9-48.4-174.7-67.9173.9000112.3H56 Q57 E58L54-H56 PolarHBondContact O-N 3.33Å; L54-H56 VanDerWaalsContact O-N 3.16Å; L54-Q57 CarbonylContact O-C 3.52Å; L54-Q57 WeakPolarHBondContact O-CA 3.47Å; L54-Q57 WeakPolarHBondContact O-CB 3.33Å; L54-Q57 PolarHBondContact O-N 3.33Å; L54-E58 WeakPolarHBondContact O-CG 3.22Å; L54-E58 PolarHBondContact O-N 3.37Å
55G69.4Low80.3Confident35 Ų3554.1 Ų54.136%0.36130%0.298SS..Hα-helixtrans-57.6-30.4174.500000114.7C53 E58 L59C53-G55 PolarHBondContact O-N 3.36Å; G55-E58 WeakPolarHBondContact CA-OE2 2.99Å; G55-L59 WeakPolarHBondContact O-CB 3.31Å; G55-L59 VanDerWaalsContact O-CG 3.23Å; G55-L59 WeakPolarHBondContact O-CG 2.36Å; G55-L59 PolarHBondContact O-N 3.5Å
56H80.5Confident79.5Confident47 Ų4753.4 Ų53.422%0.21829%0.291CS..Hα-helixtrans-77.7-29.5174.6-61.6-175.1000111.8S22 L23 Y26 V51 C53 L54 I60S22-H56 PolarHBondContact O-CE1 3.01Å; L23-H56 HydrophobicContact CD2-CB 3.54Å; Y26-H56 HydrophobicContact CE2-CB 4.17Å; Y26-H56 AromaticContact CE2-ND1 3.47Å; Y26-H56 WeakPolarHBondContact CE2-ND1 3.37Å; Y26-H56 AromaticContact CZ-ND1 3.64Å; Y26-H56 PolarHBondContact OH-ND1 3.25Å; V51-H56 HydrophobicContact CG1-CB 3.77Å; C53-H56 HydrophobicContact CB-CB 4.02Å; C53-H56 WeakPolarHBondContact O-CA 2.96Å; C53-H56 WeakPolarHBondContact O-CB 3.35Å; C53-H56 PolarHBondContact O-N 2.85Å; L54-H56 PolarHBondContact O-N 3.33Å; L54-H56 VanDerWaalsContact O-N 3.16Å; H56-I60 WeakPolarHBondContact O-CD1 3.49Å; H56-I60 VanDerWaalsContact O-CG1 3.31Å; H56-I60 WeakPolarHBondContact O-CG1 3.37Å; H56-I60 PolarHBondContact O-N 2.8Å
57Q76.6Confident79.1Confident11 Ų1153.4 Ų53.45%0.05129%0.292CS..Hα-helixtrans-70.1-43.7170.1-61-177.9-100111.1L46 V51 C53 L54 I60 L61L46-Q57 HydrophobicContact CB-CG 4.13Å; L46-Q57 HydrophobicContact CD1-CB 4.04Å; L46-Q57 HydrophobicContact CD1-CG 4.2Å; V51-Q57 HydrophobicContact CG1-CG 3.92Å; V51-Q57 PolarHBondContact O-NE2 3.41Å; C53-Q57 PolarHBondContact O-N 3.44Å; L54-Q57 CarbonylContact O-C 3.52Å; L54-Q57 WeakPolarHBondContact O-CA 3.47Å; L54-Q57 WeakPolarHBondContact O-CB 3.33Å; L54-Q57 PolarHBondContact O-N 3.33Å; Q57-I60 PolarHBondContact O-N 3.28Å; Q57-L61 HydrophobicContact CB-CD1 4.46Å; Q57-L61 VanDerWaalsContact O-CB 3.31Å; Q57-L61 WeakPolarHBondContact O-CB 3.46Å; Q57-L61 VanDerWaalsContact O-CG 3.24Å; Q57-L61 WeakPolarHBondContact O-CG 3.49Å; Q57-L61 PolarHBondContact O-N 2.8Å
58E75.1Confident78.8Confident126 Ų12652.5 Ų52.559%0.58929%0.287SS*.Hα-helixtrans-58.6-47.6177.4-71.1157-171.800111.1L54 G55 I60 G62L54-E58 WeakPolarHBondContact O-CG 3.22Å; L54-E58 PolarHBondContact O-N 3.37Å; G55-E58 WeakPolarHBondContact CA-OE2 2.99Å; E58-I60 PolarHBondContact O-N 3.41Å; E58-G62 PolarHBondContact O-N 2.7Å
59L75.2Confident78.1Confident32 Ų3249.4 Ų49.417%0.16826%0.261CS..Hα-helixtrans-57.5-45.9174.3-74.3168.5000113.1D20 L23 G55 G63 V259D20-L59 HydrophobicContact CB-CD1 4.26Å; L23-L59 HydrophobicContact CD1-CB 4.07Å; L23-L59 HydrophobicContact CD1-CD1 4.33Å; L23-L59 HydrophobicContact CD2-CD1 4.11Å; L23-L59 HydrophobicContact CG-CD1 4.23Å; G55-L59 WeakPolarHBondContact O-CB 3.31Å; G55-L59 VanDerWaalsContact O-CG 3.23Å; G55-L59 WeakPolarHBondContact O-CG 2.36Å; G55-L59 PolarHBondContact O-N 3.5Å; L59-G63 PolarHBondContact O-N 2.8Å; L59-G63 VanDerWaalsContact O-N 3.09Å; L59-V259 HydrophobicContact CD2-CB 3.73Å; L59-V259 HydrophobicContact CD2-CG1 3.92Å; L59-V259 HydrophobicContact CD2-CG2 3.87Å
60I80.4Confident77.4Confident0 Ų047.8 Ų47.80%025%0.253CS..Hα-helixtrans-74.2-47.1-177-64.8169.3000111.4L16 L19 L23 W31 L41 L46 V51 H56 Q57 E58 G63 V64L16-I60 HydrophobicContact CD2-CG1 4.34Å; L16-I60 HydrophobicContact CD2-CG2 3.91Å; L19-I60 HydrophobicContact CD1-CG1 4.2Å; L23-I60 HydrophobicContact CD1-CG1 3.94Å; L23-I60 HydrophobicContact CD2-CD1 4.5Å; W31-I60 HydrophobicContact CH2-CD1 4.29Å; L41-I60 HydrophobicContact CD1-CG2 3.88Å; L46-I60 HydrophobicContact CD1-CB 4.33Å; L46-I60 HydrophobicContact CD1-CG2 4.31Å; L46-I60 HydrophobicContact CD2-CD1 4.21Å; L46-I60 HydrophobicContact CD2-CG2 4.02Å; V51-I60 HydrophobicContact CG1-CD1 4.29Å; V51-I60 HydrophobicContact CG2-CD1 4.29Å; H56-I60 WeakPolarHBondContact O-CD1 3.49Å; H56-I60 VanDerWaalsContact O-CG1 3.31Å; H56-I60 WeakPolarHBondContact O-CG1 3.37Å; H56-I60 PolarHBondContact O-N 2.8Å; Q57-I60 PolarHBondContact O-N 3.28Å; E58-I60 PolarHBondContact O-N 3.41Å; I60-G63 PolarHBondContact O-N 3.22Å; I60-V64 WeakPolarHBondContact O-CG2 3.17Å; I60-V64 PolarHBondContact O-N 3.18Å
61L79.6Confident76.6Confident41 Ų4147.1 Ų47.122%0.21524%0.244CC..Hα-helixtrans-65.1-42.9-179.3-67.3172.9000111.3L41 P43 L46 Q57 V64 E65L41-L61 HydrophobicContact CB-CD2 3.88Å; L41-L61 WeakPolarHBondContact O-CD2 3.28Å; P43-L61 HydrophobicContact CG-CD1 3.78Å; L46-L61 HydrophobicContact CD1-CD1 4.08Å; L46-L61 HydrophobicContact CD1-CD2 3.65Å; L46-L61 HydrophobicContact CD1-CG 3.56Å; Q57-L61 HydrophobicContact CB-CD1 4.46Å; Q57-L61 VanDerWaalsContact O-CB 3.31Å; Q57-L61 WeakPolarHBondContact O-CB 3.46Å; Q57-L61 VanDerWaalsContact O-CG 3.24Å; Q57-L61 WeakPolarHBondContact O-CG 3.49Å; Q57-L61 PolarHBondContact O-N 2.8Å; L61-V64 CarbonylContact O-C 3.47Å; L61-V64 WeakPolarHBondContact O-CB 3.36Å; L61-V64 PolarHBondContact O-N 3.38Å; L61-V64 VanDerWaalsContact O-N 3.16Å; L61-E65 PolarHBondContact O-N 3.3Å
62G71.3Confident76Confident4 Ų450.1 Ų50.14%0.04127%0.265CS..Hα-helixtrans-66.3-39.7177.300000112.9E58 V64 E65 Q66E58-G62 PolarHBondContact O-N 2.7Å; G62-V64 VanDerWaalsContact C-N 3.27Å; G62-V64 PolarHBondContact O-N 3.45Å; G62-E65 PolarHBondContact O-N 2.77Å; G62-Q66 VanDerWaalsContact O-CG 3.3Å; G62-Q66 WeakPolarHBondContact O-CG 3.29Å; G62-Q66 PolarHBondContact O-N 2.81Å
63G74.9Confident75.7Confident2 Ų242.5 Ų42.52%0.02124%0.237CC..Hα-helixtrans-59.5-38170.200000112.5W15 L59 I60 L67W15-G63 VanDerWaalsContact CH2-C 3.5Å; W15-G63 WeakPolarHBondContact CZ2-O 3.3Å; L59-G63 PolarHBondContact O-N 2.8Å; L59-G63 VanDerWaalsContact O-N 3.09Å; I60-G63 PolarHBondContact O-N 3.22Å; G63-L67 VanDerWaalsContact O-CB 3.25Å; G63-L67 WeakPolarHBondContact O-CB 2.56Å; G63-L67 PolarHBondContact O-N 2.8Å; G63-L67 VanDerWaalsContact O-N 3.07Å
64V81.6Confident75.3Confident4 Ų441 Ų412%0.02422%0.224CC..Hα-helixtrans-69.6-40.2175.5166.50000112.1W15 L38 L39 L41 I60 L61 G62 L67 Q68W15-V64 HydrophobicContact CH2-CG2 3.83Å; W15-V64 HydrophobicContact CZ3-CG2 3.98Å; L38-V64 HydrophobicContact CD1-CG2 3.64Å; L38-V64 HydrophobicContact CG-CG2 3.78Å; L38-V64 WeakPolarHBondContact O-CG1 3.24Å; L39-V64 HydrophobicContact CD2-CG1 4.44Å; L41-V64 HydrophobicContact CD1-CG2 4.41Å; I60-V64 WeakPolarHBondContact O-CG2 3.17Å; I60-V64 PolarHBondContact O-N 3.18Å; L61-V64 CarbonylContact O-C 3.47Å; L61-V64 WeakPolarHBondContact O-CB 3.36Å; L61-V64 PolarHBondContact O-N 3.38Å; L61-V64 VanDerWaalsContact O-N 3.16Å; G62-V64 VanDerWaalsContact C-N 3.27Å; G62-V64 PolarHBondContact O-N 3.45Å; V64-L67 WeakPolarHBondContact O-CB 3.07Å; V64-L67 PolarHBondContact O-N 2.89Å; V64-Q68 WeakPolarHBondContact O-CG 3.19Å; V64-Q68 PolarHBondContact O-N 2.78Å
65E76.8Confident75.2Confident119 Ų11941.5 Ų41.556%0.55622%0.223SC*.Hα-helixtrans-62.9-45.1177.5-177169.8-14600111.3L61 G62 L67 Q68 A69L61-E65 PolarHBondContact O-N 3.3Å; G62-E65 PolarHBondContact O-N 2.77Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.33Å; E65-Q68 WeakPolarHBondContact O-CB 3Å; E65-Q68 PolarHBondContact O-N 3.19Å; E65-A69 WeakPolarHBondContact O-CB 3.39Å; E65-A69 PolarHBondContact O-N 3.33Å
66Q71.8Confident75.4Confident20 Ų2043.9 Ų43.99%0.09323%0.231CC..Hα-helixtrans-64.7-35.4174.9-66.5170.615.900112.5G62 Q68 A69 L70 V252 R253 V258G62-Q66 VanDerWaalsContact O-CG 3.3Å; G62-Q66 WeakPolarHBondContact O-CG 3.29Å; G62-Q66 PolarHBondContact O-N 2.81Å; Q66-Q68 VanDerWaalsContact C-N 3.35Å; Q66-A69 PolarHBondContact O-N 3.11Å; Q66-L70 WeakPolarHBondContact O-CB 3.34Å; Q66-L70 PolarHBondContact O-N 3.21Å; Q66-V252 HydrophobicContact CB-CG1 3.84Å; Q66-V252 VanDerWaalsContact OE1-C 3.28Å; Q66-V252 VanDerWaalsContact OE1-CG1 3.25Å; Q66-R253 WeakPolarHBondContact CG-O 3.16Å; Q66-R253 PolarHBondContact NE2-O 3.31Å; Q66-R253 PolarHBondContact OE1-O 3.3Å; Q66-R253 VanDerWaalsContact OE1-O 3.05Å; Q66-V258 PolarHBondContact NE2-O 3.23Å
67L78Confident75.4Confident1 Ų142.4 Ų42.41%0.00522%0.224CC..Hα-helixtrans-67-34.4174.7-176.263.2000112.1V4 W7 W15 L38 G63 V64 E65 S71 V250V4-L67 HydrophobicContact CG1-CD2 3.68Å; V4-L67 HydrophobicContact CG1-CG 4.17Å; V4-L67 HydrophobicContact CG2-CD1 3.76Å; V4-L67 HydrophobicContact CG2-CD2 4.13Å; V4-L67 HydrophobicContact CG2-CG 3.77Å; W7-L67 HydrophobicContact CH2-CD1 3.77Å; W7-L67 HydrophobicContact CH2-CD2 3.86Å; W7-L67 HydrophobicContact CH2-CG 4.45Å; W7-L67 HydrophobicContact CZ2-CD1 4.25Å; W7-L67 HydrophobicContact CZ3-CD2 3.87Å; W15-L67 HydrophobicContact CD2-CD2 4.38Å; W15-L67 HydrophobicContact CH2-CD2 4.33Å; W15-L67 HydrophobicContact CZ2-CB 4.34Å; W15-L67 HydrophobicContact CZ2-CD2 3.9Å; L38-L67 HydrophobicContact CD2-CD2 3.93Å; G63-L67 VanDerWaalsContact O-CB 3.25Å; G63-L67 WeakPolarHBondContact O-CB 2.56Å; G63-L67 PolarHBondContact O-N 2.8Å; G63-L67 VanDerWaalsContact O-N 3.07Å; V64-L67 WeakPolarHBondContact O-CB 3.07Å; V64-L67 PolarHBondContact O-N 2.89Å; E65-L67 VanDerWaalsContact C-N 3.32Å; E65-L67 PolarHBondContact O-N 3.33Å; L67-S71 PolarHBondContact O-N 2.62Å; L67-V250 HydrophobicContact CD1-CB 4.33Å; L67-V250 HydrophobicContact CD1-CG1 4.06Å; L67-V250 HydrophobicContact CD1-CG2 4.1Å
68Q77.9Confident75.8Confident86 Ų8642.7 Ų42.740%0.40223%0.226SC..Hα-helixtrans-69.9-45.7169.6-68.9178.639.700111.9L39 V64 E65 Q66 L70 S71 S72L39-Q68 HydrophobicContact CD2-CG 3.71Å; L39-Q68 PolarHBondContact O-NE2 2.82Å; V64-Q68 WeakPolarHBondContact O-CG 3.19Å; V64-Q68 PolarHBondContact O-N 2.78Å; E65-Q68 WeakPolarHBondContact O-CB 3Å; E65-Q68 PolarHBondContact O-N 3.19Å; Q66-Q68 VanDerWaalsContact C-N 3.35Å; Q68-L70 VanDerWaalsContact C-N 3.34Å; Q68-L70 PolarHBondContact O-N 3.43Å; Q68-S71 PolarHBondContact O-N 3.16Å; Q68-S71 VanDerWaalsContact O-N 3.12Å; Q68-S72 PolarHBondContact O-N 3.24Å; Q68-S72 PolarHBondContact O-OG 3.45Å
69A74.1Confident76.3Confident22 Ų2236.8 Ų36.818%0.18220%0.198CC..Hα-helixtrans-56.5-48.4178.300000110.6E65 Q66 S71 S72 R73E65-A69 WeakPolarHBondContact O-CB 3.39Å; E65-A69 PolarHBondContact O-N 3.33Å; Q66-A69 PolarHBondContact O-N 3.11Å; A69-S71 VanDerWaalsContact C-N 3.32Å; A69-S71 PolarHBondContact O-N 2.9Å; A69-S72 PolarHBondContact O-N 2.91Å; A69-S72 PolarHBondContact O-OG 2.97Å; A69-S72 VanDerWaalsContact O-OG 3.07Å; A69-R73 WeakPolarHBondContact O-CB 3.19Å; A69-R73 WeakPolarHBondContact O-CD 3.22Å; A69-R73 WeakPolarHBondContact O-CG 3.08Å; A69-R73 PolarHBondContact O-N 3.23Å
70L74.8Confident76.9Confident10 Ų1038.2 Ų38.25%0.05220%0.203CC..Hα-helixtrans-51.9-49.3174.4178.967.7000112M1 Q66 Q68 S72 L74 V244 V250M1-L70 HydrophobicContact CE-CD2 3.85Å; M1-L70 HydrophobicContact SD-CD2 4.05Å; Q66-L70 WeakPolarHBondContact O-CB 3.34Å; Q66-L70 PolarHBondContact O-N 3.21Å; Q68-L70 VanDerWaalsContact C-N 3.34Å; Q68-L70 PolarHBondContact O-N 3.43Å; L70-S72 PolarHBondContact O-N 2.9Å; L70-L74 HydrophobicContact CD1-CD1 3.89Å; L70-L74 HydrophobicContact CD1-CG 4.34Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 VanDerWaalsContact O-CD1 3.31Å; L70-L74 WeakPolarHBondContact O-CD1 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.14Å; L70-L74 PolarHBondContact O-N 3.09Å; L70-V244 HydrophobicContact CD1-CG1 3.78Å; L70-V244 HydrophobicContact CD1-CG2 4.42Å; L70-V244 HydrophobicContact CD2-CG1 3.46Å; L70-V244 VanDerWaalsContact CD2-CG1 3.46Å; L70-V244 HydrophobicContact CG-CG1 4.26Å; L70-V250 HydrophobicContact CD2-CG1 4.08Å
71S73.6Confident77.4Confident51 Ų5140.1 Ų40.136%0.35722%0.216SC..Hα-helixtrans-70.2-28.9-175.4-171.10000114.2L67 Q68 A69 Q75L67-S71 PolarHBondContact O-N 2.62Å; Q68-S71 PolarHBondContact O-N 3.16Å; Q68-S71 VanDerWaalsContact O-N 3.12Å; A69-S71 VanDerWaalsContact C-N 3.32Å; A69-S71 PolarHBondContact O-N 2.9Å; S71-Q75 PolarHBondContact O-NE2 3.2Å
72S73.4Confident77.8Confident63 Ų6338.7 Ų38.744%0.44121%0.209SC..Hα-helixtrans-82.8-46.2175.8620000111.2Q68 A69 L70 L74 Q75 T76Q68-S72 PolarHBondContact O-N 3.24Å; Q68-S72 PolarHBondContact O-OG 3.45Å; A69-S72 PolarHBondContact O-N 2.91Å; A69-S72 PolarHBondContact O-OG 2.97Å; A69-S72 VanDerWaalsContact O-OG 3.07Å; L70-S72 PolarHBondContact O-N 2.9Å; S72-L74 PolarHBondContact O-N 3.2Å; S72-Q75 WeakPolarHBondContact O-CB 3.21Å; S72-Q75 PolarHBondContact O-N 2.95Å; S72-T76 PolarHBondContact O-N 3.11Å; S72-T76 PolarHBondContact O-OG1 2.93Å
73R71.6Confident78.7Confident36 Ų3638.5 Ų38.514%0.13621%0.207CC..Hα-helixtrans-61.1-38.6-177.3-72.1166.359.3-163.69.8113.4A69 Q75 T76 E77 E255A69-R73 WeakPolarHBondContact O-CB 3.19Å; A69-R73 WeakPolarHBondContact O-CD 3.22Å; A69-R73 WeakPolarHBondContact O-CG 3.08Å; A69-R73 PolarHBondContact O-N 3.23Å; R73-Q75 PolarHBondContact O-N 3.09Å; R73-Q75 VanDerWaalsContact O-N 3.11Å; R73-T76 PolarHBondContact O-N 3.11Å; R73-E77 HydrophobicContact CB-CG 3.88Å; R73-E77 HydrophobicContact CG-CG 4.26Å; R73-E77 IonicContact CZ-OE1 2.7Å; R73-E77 VanDerWaalsContact CZ-OE1 3.24Å; R73-E77 IonicContact NE-OE1 2.93Å; R73-E77 PolarHBondContact NE-OE1 2.97Å; R73-E77 IonicContact NE-OE2 3.17Å; R73-E77 IonicContact NH2-OE1 3.18Å; R73-E77 PolarHBondContact NH2-OE1 3.23Å; R73-E77 IonicContact NH2-OE2 3.85Å; R73-E77 WeakPolarHBondContact O-CB 3.17Å; R73-E77 PolarHBondContact O-N 2.89Å; R73-E255 IonicContact CZ-OE1 3.17Å; R73-E255 IonicContact CZ-OE2 3.12Å; R73-E255 IonicContact NE-OE2 2.78Å; R73-E255 IonicContact NH1-OE1 2.85Å; R73-E255 PolarHBondContact NH1-OE1 2.85Å; R73-E255 IonicContact NH1-OE2 3.49Å; R73-E255 PolarHBondContact NH1-OE2 2.72Å; R73-E255 IonicContact NH2-OE1 3.2Å; R73-E255 PolarHBondContact NH2-OE1 3.28Å; R73-E255 VanDerWaalsContact NH2-OE1 3.16Å
74L71.9Confident79.6Confident34 Ų3442.9 Ų42.918%0.17823%0.227CC..Hα-helixtrans-60.2-21174.3-73163.2000113.6L70 S72 A197 L199 K282L70-L74 HydrophobicContact CD1-CD1 3.89Å; L70-L74 HydrophobicContact CD1-CG 4.34Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 VanDerWaalsContact O-CD1 3.31Å; L70-L74 WeakPolarHBondContact O-CD1 3.44Å; L70-L74 VanDerWaalsContact O-CG 3.26Å; L70-L74 WeakPolarHBondContact O-CG 3.14Å; L70-L74 PolarHBondContact O-N 3.09Å; S72-L74 PolarHBondContact O-N 3.2Å; L74-A197 HydrophobicContact CD2-CB 4.45Å; L74-L199 HydrophobicContact CD1-CD1 3.5Å; L74-L199 HydrophobicContact CD1-CD2 3.99Å; L74-L199 HydrophobicContact CD1-CG 3.56Å; L74-L199 HydrophobicContact CD2-CD2 3.98Å; L74-L199 HydrophobicContact CD2-CG 3.96Å; L74-L199 HydrophobicContact CG-CG 4.44Å; L74-K282 HydrophobicContact CD2-CD 4.12Å; L74-K282 HydrophobicContact CD2-CG 4.1Å
75Q70.1Confident80Confident128 Ų12843.9 Ų43.960%0.59824%0.238SC*.Hα-helixtrans-92.8-17.1176.8-56-174.433.100113.2S71 S72 R73 R196S71-Q75 PolarHBondContact O-NE2 3.2Å; S72-Q75 WeakPolarHBondContact O-CB 3.21Å; S72-Q75 PolarHBondContact O-N 2.95Å; R73-Q75 PolarHBondContact O-N 3.09Å; R73-Q75 VanDerWaalsContact O-N 3.11Å; Q75-R196 PolarHBondContact O-NH1 3.01Å
76T74.1Confident80.8Confident84 Ų8438.2 Ų38.252%0.51521%0.211SC..Hα-helixtrans-121.9-36.7-169.8560000114.2S72 R73 N78 S81S72-T76 PolarHBondContact O-N 3.11Å; S72-T76 PolarHBondContact O-OG1 2.93Å; R73-T76 PolarHBondContact O-N 3.11Å; T76-N78 PolarHBondContact O-N 2.98Å; T76-N78 PolarHBondContact O-ND2 3.39Å; T76-S81 PolarHBondContact O-OG 2.68Å
77E81.1Confident81.9Confident17 Ų1739.1 Ų39.18%0.07922%0.216CC..  trans-66.9128.9-178.7-70.4-178.3154.100112.1R73 L82 W128 K282R73-E77 HydrophobicContact CB-CG 3.88Å; R73-E77 HydrophobicContact CG-CG 4.26Å; R73-E77 IonicContact CZ-OE1 2.7Å; R73-E77 VanDerWaalsContact CZ-OE1 3.24Å; R73-E77 IonicContact NE-OE1 2.93Å; R73-E77 PolarHBondContact NE-OE1 2.97Å; R73-E77 IonicContact NE-OE2 3.17Å; R73-E77 IonicContact NH2-OE1 3.18Å; R73-E77 PolarHBondContact NH2-OE1 3.23Å; R73-E77 IonicContact NH2-OE2 3.85Å; R73-E77 WeakPolarHBondContact O-CB 3.17Å; R73-E77 PolarHBondContact O-N 2.89Å; E77-L82 HydrophobicContact CG-CD2 4.44Å; E77-W128 HydrophobicContact CB-CE3 4.35Å; E77-W128 HydrophobicContact CB-CH2 4.31Å; E77-W128 HydrophobicContact CB-CZ3 3.65Å; E77-W128 WeakPolarHBondContact O-CH2 3.24Å; E77-K282 IonicContact OE2-NZ 2.7Å; E77-K282 PolarHBondContact OE2-NZ 2.92Å
78N85.2Confident82.6Confident17 Ų1740 Ų409%0.09123%0.226CC..BIsolated β-bridgetrans-151.9167.1167.749.488.5000107.7T76 K80 S81 L82 L193 Q195 R196T76-N78 PolarHBondContact O-N 2.98Å; T76-N78 PolarHBondContact O-ND2 3.39Å; N78-K80 PolarHBondContact O-N 2.97Å; N78-K80 WeakPolarHBondContact OD1-CB 3.16Å; N78-K80 PolarHBondContact OD1-N 3.34Å; N78-S81 PolarHBondContact N-OG 3.43Å; N78-S81 PolarHBondContact O-N 3.29Å; N78-S81 PolarHBondContact O-OG 3.07Å; N78-S81 PolarHBondContact OD1-N 3.25Å; N78-L82 WeakPolarHBondContact O-CG 3.11Å; N78-L82 PolarHBondContact O-N 3.05Å; N78-L82 VanDerWaalsContact O-N 3.16Å; N78-L193 PolarHBondContact OD1-O 2.91Å; N78-Q195 WeakPolarHBondContact CA-O 3.47Å; N78-Q195 WeakPolarHBondContact CB-O 3.26Å; N78-R196 HydrophobicContact CB-CG 4.26Å
79L85.4Confident83.3Confident1 Ų136.8 Ų36.81%0.00521%0.214CC..Hα-helixtrans-57-41.2-178.1177.161.3000111.6T83 L125 L129 I184 C188 L192 L193L79-T83 WeakPolarHBondContact O-CB 3.32Å; L79-T83 PolarHBondContact O-N 3.2Å; L79-T83 PolarHBondContact O-OG1 2.85Å; L79-L125 HydrophobicContact CD1-CD1 3.54Å; L79-L129 HydrophobicContact CD1-CD1 4.39Å; L79-L129 HydrophobicContact CD1-CD2 3.73Å; L79-L129 HydrophobicContact CD1-CG 4.08Å; L79-L129 HydrophobicContact CD2-CD2 4.42Å; L79-I184 HydrophobicContact CD1-CG2 4.18Å; L79-I184 HydrophobicContact CD2-CG2 4.04Å; L79-I184 HydrophobicContact CG-CG2 4.09Å; L79-C188 HydrophobicContact CD2-CB 4.46Å; L79-L192 HydrophobicContact CD2-CD2 3.41Å; L79-L192 VanDerWaalsContact CD2-CD2 3.41Å; L79-L193 HydrophobicContact CD2-CD2 4.08Å; L79-L193 HydrophobicContact CG-CD2 4.12Å; L79-L193 PolarHBondContact N-O 3.28Å
80K88.3Confident84.2Confident63 Ų6335.8 Ų35.827%0.27421%0.206SC..Hα-helixtrans-61.7-50.5177.2172-178.5176.7-175.60112.1N78 L82 T83 E84 L185 L193 E194N78-K80 PolarHBondContact O-N 2.97Å; N78-K80 WeakPolarHBondContact OD1-CB 3.16Å; N78-K80 PolarHBondContact OD1-N 3.34Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.5Å; K80-T83 PolarHBondContact O-N 3.4Å; K80-T83 VanDerWaalsContact O-N 3.15Å; K80-E84 WeakPolarHBondContact CE-OE1 3.41Å; K80-E84 HydrophobicContact CG-CG 4.19Å; K80-E84 WeakPolarHBondContact O-CB 3.45Å; K80-E84 WeakPolarHBondContact O-CG 3.46Å; K80-E84 PolarHBondContact O-N 2.59Å; K80-L185 HydrophobicContact CB-CD2 4.33Å; K80-L185 HydrophobicContact CG-CD2 4Å; K80-L193 HydrophobicContact CB-CB 4.16Å; K80-L193 HydrophobicContact CB-CD2 4.23Å; K80-L193 VanDerWaalsContact CB-O 3.23Å; K80-L193 WeakPolarHBondContact CB-O 3.22Å; K80-L193 PolarHBondContact N-O 3.29Å; K80-E194 HydrophobicContact CD-CG 4.25Å; K80-E194 IonicContact NZ-OE1 2.97Å
81S90.1Very high85Confident39 Ų3942.5 Ų42.527%0.27323%0.231SC..Hα-helixtrans-62.1-36.5-177.968.40000112.9T76 N78 G85T76-S81 PolarHBondContact O-OG 2.68Å; N78-S81 PolarHBondContact N-OG 3.43Å; N78-S81 PolarHBondContact O-N 3.29Å; N78-S81 PolarHBondContact O-OG 3.07Å; N78-S81 PolarHBondContact OD1-N 3.25Å; S81-G85 PolarHBondContact O-N 3.04Å
82L88.6Confident85.8Confident11 Ų1143.7 Ų43.76%0.05823%0.233CC..Hα-helixtrans-71.8-36.3176.5-66171.8000111.9E77 N78 K80 G85 L86 A124 L125 W128E77-L82 HydrophobicContact CG-CD2 4.44Å; N78-L82 WeakPolarHBondContact O-CG 3.11Å; N78-L82 PolarHBondContact O-N 3.05Å; N78-L82 VanDerWaalsContact O-N 3.16Å; K80-L82 VanDerWaalsContact C-N 3.29Å; K80-L82 PolarHBondContact O-N 3.5Å; L82-G85 PolarHBondContact O-N 3.28Å; L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 PolarHBondContact O-N 3.23Å; L82-A124 HydrophobicContact CD2-CB 3.92Å; L82-L125 HydrophobicContact CB-CB 4.33Å; L82-L125 HydrophobicContact CB-CD1 3.91Å; L82-W128 HydrophobicContact CD1-CB 3.56Å; L82-W128 HydrophobicContact CD1-CD2 3.7Å; L82-W128 HydrophobicContact CD1-CE3 3.58Å; L82-W128 HydrophobicContact CD1-CG 3.72Å; L82-W128 HydrophobicContact CD1-CZ3 4.47Å
83T89.5Confident86.6Confident0 Ų040.7 Ų40.70%021%0.212CC..Hα-helixtrans-72.1-38.2176-500000111.7L79 K80 L87 L125 C181 I184 L185L79-T83 WeakPolarHBondContact O-CB 3.32Å; L79-T83 PolarHBondContact O-N 3.2Å; L79-T83 PolarHBondContact O-OG1 2.85Å; K80-T83 PolarHBondContact O-N 3.4Å; K80-T83 VanDerWaalsContact O-N 3.15Å; T83-L87 VanDerWaalsContact O-CB 3.28Å; T83-L87 WeakPolarHBondContact O-CB 3.25Å; T83-L87 PolarHBondContact O-N 3.07Å; T83-L125 WeakPolarHBondContact OG1-CD1 3.28Å; T83-C181 HydrophobicContact CG2-CB 3.71Å; T83-C181 VanDerWaalsContact CG2-O 3.29Å; T83-C181 WeakPolarHBondContact CG2-O 3.31Å; T83-I184 HydrophobicContact CG2-CB 4.05Å; T83-I184 HydrophobicContact CG2-CG2 4.02Å; T83-L185 HydrophobicContact CG2-CD1 4.16Å; T83-L185 HydrophobicContact CG2-CD2 4.14Å; T83-L185 HydrophobicContact CG2-CG 3.74Å
84E92.8Very high87.5Confident95 Ų9541.1 Ų41.144%0.44422%0.215SC..Hα-helixtrans-67.3-37.1172.8-72.2174.9163.100111.5K80 G88 L185K80-E84 WeakPolarHBondContact CE-OE1 3.41Å; K80-E84 HydrophobicContact CG-CG 4.19Å; K80-E84 WeakPolarHBondContact O-CB 3.45Å; K80-E84 WeakPolarHBondContact O-CG 3.46Å; K80-E84 PolarHBondContact O-N 2.59Å; E84-G88 PolarHBondContact O-N 3.32Å; E84-L185 HydrophobicContact CG-CD1 4.23Å; E84-L185 HydrophobicContact CG-CD2 4.25Å
85G91.5Very high88.4Confident25 Ų2543.6 Ų43.626%0.25824%0.235SC..Hα-helixtrans-62.3-5317300000112.7S81 L82 L87 G88 A89S81-G85 PolarHBondContact O-N 3.04Å; L82-G85 PolarHBondContact O-N 3.28Å; G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 2.67Å; G85-G88 WeakPolarHBondContact O-CA 3.17Å; G85-G88 PolarHBondContact O-N 2.8Å; G85-G88 VanDerWaalsContact O-N 3.11Å; G85-A89 PolarHBondContact O-N 3.16Å
86L93.3Very high89.2Confident0 Ų039.8 Ų39.80%022%0.219CC..Hα-helixtrans-58-42.7175178.155.9000112.2L82 G88 A89 T90 L118 E121 A122 L125 I146 V177L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 PolarHBondContact O-N 3.23Å; L86-G88 VanDerWaalsContact C-N 3.33Å; L86-G88 PolarHBondContact O-N 3.12Å; L86-A89 PolarHBondContact O-N 3.29Å; L86-T90 VanDerWaalsContact O-CB 3.31Å; L86-T90 WeakPolarHBondContact O-CB 3.32Å; L86-T90 PolarHBondContact O-N 3.01Å; L86-T90 PolarHBondContact O-OG1 2.7Å; L86-L118 HydrophobicContact CD1-CD1 3.6Å; L86-E121 HydrophobicContact CB-CB 4.23Å; L86-E121 HydrophobicContact CD1-CB 4.3Å; L86-A122 HydrophobicContact CD1-CB 3.75Å; L86-A122 HydrophobicContact CD2-CB 4.24Å; L86-L125 HydrophobicContact CB-CD2 4.46Å; L86-L125 HydrophobicContact CD2-CD2 3.52Å; L86-I146 HydrophobicContact CD2-CD1 4.29Å; L86-V177 HydrophobicContact CD1-CG1 4.17Å; L86-V177 HydrophobicContact CD2-CG1 4.1Å; L86-V177 HydrophobicContact CG-CG1 4.14Å
87L93.9Very high89.6Confident38 Ų3835.8 Ų35.820%0.19919%0.194CC..Hα-helixtrans-64.8-37.5176.9-177.961.3000112.1T83 G85 R91 A178 C181 L185T83-L87 VanDerWaalsContact O-CB 3.28Å; T83-L87 WeakPolarHBondContact O-CB 3.25Å; T83-L87 PolarHBondContact O-N 3.07Å; G85-L87 VanDerWaalsContact C-N 3.32Å; G85-L87 PolarHBondContact O-N 2.67Å; L87-R91 PolarHBondContact O-N 3.18Å; L87-R91 VanDerWaalsContact O-N 3.09Å; L87-A178 HydrophobicContact CD1-CB 3.71Å; L87-C181 HydrophobicContact CB-CB 4.16Å; L87-C181 HydrophobicContact CD1-CB 4.36Å; L87-L185 HydrophobicContact CD2-CD1 4.44Å
88G93.5Very high89.7Confident19 Ų1941.4 Ų41.420%0.19622%0.221CC..Hα-helixtrans-61-56.4172.600000112.1E84 G85 L86 T90 R91 D92E84-G88 PolarHBondContact O-N 3.32Å; G85-G88 WeakPolarHBondContact O-CA 3.17Å; G85-G88 PolarHBondContact O-N 2.8Å; G85-G88 VanDerWaalsContact O-N 3.11Å; L86-G88 VanDerWaalsContact C-N 3.33Å; L86-G88 PolarHBondContact O-N 3.12Å; G88-T90 VanDerWaalsContact C-N 3.26Å; G88-T90 PolarHBondContact O-N 3.37Å; G88-R91 PolarHBondContact O-N 3.28Å; G88-R91 VanDerWaalsContact O-N 3.16Å; G88-D92 WeakPolarHBondContact O-CB 3.07Å; G88-D92 VanDerWaalsContact O-CG 3.29Å; G88-D92 PolarHBondContact O-N 2.71Å
89A92.3Very high89Confident20 Ų2043.5 Ų43.517%0.16525%0.246CC..Hα-helixtrans-57.7-38.8177.700000112.2G85 L86 D92 F93 L118 E121G85-A89 PolarHBondContact O-N 3.16Å; L86-A89 PolarHBondContact O-N 3.29Å; A89-D92 PolarHBondContact O-N 2.97Å; A89-F93 WeakPolarHBondContact O-CB 3.12Å; A89-F93 PolarHBondContact O-N 2.88Å; A89-L118 HydrophobicContact CB-CB 4.5Å; A89-L118 HydrophobicContact CB-CD1 4.3Å; A89-E121 HydrophobicContact CB-CB 4.48Å; A89-E121 HydrophobicContact CB-CG 4.05Å
90T93.3Very high88.3Confident1 Ų150.2 Ų50.21%0.00627%0.271CS..Hα-helixtrans-61.4-47.4176.3-580000111.8L86 G88 Q94 L118 C174 A178L86-T90 VanDerWaalsContact O-CB 3.31Å; L86-T90 WeakPolarHBondContact O-CB 3.32Å; L86-T90 PolarHBondContact O-N 3.01Å; L86-T90 PolarHBondContact O-OG1 2.7Å; G88-T90 VanDerWaalsContact C-N 3.26Å; G88-T90 PolarHBondContact O-N 3.37Å; T90-Q94 VanDerWaalsContact O-CG 3.31Å; T90-Q94 WeakPolarHBondContact O-CG 3.33Å; T90-Q94 PolarHBondContact O-N 3.07Å; T90-L118 VanDerWaalsContact OG1-CD1 3.3Å; T90-L118 WeakPolarHBondContact OG1-CD1 3.24Å; T90-C174 HydrophobicContact CG2-CB 3.8Å; T90-C174 VanDerWaalsContact CG2-O 3.24Å; T90-C174 WeakPolarHBondContact CG2-O 3.27Å; T90-A178 HydrophobicContact CG2-CB 4.14Å
91R92.4Very high87.3Confident151 Ų15148.1 Ų48.157%0.5726%0.263SS*.Hα-helixtrans-65.9-41.7178.7-177.7-160.467-155.1-8.7111.8L87 G88 Q94 S95L87-R91 PolarHBondContact O-N 3.18Å; L87-R91 VanDerWaalsContact O-N 3.09Å; G88-R91 PolarHBondContact O-N 3.28Å; G88-R91 VanDerWaalsContact O-N 3.16Å; R91-Q94 WeakPolarHBondContact O-CB 3.41Å; R91-Q94 PolarHBondContact O-N 3.02Å; R91-S95 PolarHBondContact O-N 3.22Å
92D90Very high85.8Confident75 Ų7548.4 Ų48.440%0.40127%0.272SS..Hα-helixtrans-74-37.4-174.7-64.3-9000110.1G88 A89 S95 I96G88-D92 WeakPolarHBondContact O-CB 3.07Å; G88-D92 VanDerWaalsContact O-CG 3.29Å; G88-D92 PolarHBondContact O-N 2.71Å; A89-D92 PolarHBondContact O-N 2.97Å; D92-S95 PolarHBondContact O-N 3.14Å; D92-I96 WeakPolarHBondContact O-CG1 3.25Å; D92-I96 PolarHBondContact O-N 3.27Å; D92-I96 VanDerWaalsContact O-N 3.09Å
93F90.6Very high84.2Confident1 Ų156 Ų560%0.00431%0.313CS..Hα-helixtrans-60.3-44.7166.6175.4-106.9000112.9A89 S95 I96 V97 V111 A114 T115 L118 L153 L157 V170 C174A89-F93 WeakPolarHBondContact O-CB 3.12Å; A89-F93 PolarHBondContact O-N 2.88Å; F93-S95 VanDerWaalsContact C-N 3.28Å; F93-S95 PolarHBondContact O-N 3.09Å; F93-I96 PolarHBondContact O-N 3.34Å; F93-I96 VanDerWaalsContact O-N 3.1Å; F93-V97 HydrophobicContact CD1-CG2 4.32Å; F93-V97 HydrophobicContact CD2-CG2 4.09Å; F93-V97 HydrophobicContact CE1-CG2 3.9Å; F93-V97 HydrophobicContact CE2-CG2 3.64Å; F93-V97 HydrophobicContact CG-CG2 4.41Å; F93-V97 HydrophobicContact CZ-CG2 3.52Å; F93-V97 WeakPolarHBondContact O-CG2 3.36Å; F93-V97 PolarHBondContact O-N 3.1Å; F93-V111 HydrophobicContact CE2-CG1 3.83Å; F93-V111 HydrophobicContact CZ-CG1 4.41Å; F93-A114 HydrophobicContact CB-CB 4.17Å; F93-A114 HydrophobicContact CD2-CB 3.74Å; F93-A114 HydrophobicContact CG-CB 4.45Å; F93-T115 VanDerWaalsContact CE2-OG1 3.31Å; F93-T115 WeakPolarHBondContact CE2-OG1 3.48Å; F93-L118 HydrophobicContact CB-CD2 4.43Å; F93-L118 HydrophobicContact CD1-CD2 3.72Å; F93-L118 HydrophobicContact CE1-CD2 4.16Å; F93-L118 HydrophobicContact CG-CD2 4.09Å; F93-L153 HydrophobicContact CE1-CD1 3.85Å; F93-L153 HydrophobicContact CE1-CD2 3.98Å; F93-L153 HydrophobicContact CZ-CD1 3.96Å; F93-L153 HydrophobicContact CZ-CD2 4.24Å; F93-L157 HydrophobicContact CZ-CD1 4.12Å; F93-V170 HydrophobicContact CE1-CG1 3.56Å; F93-V170 HydrophobicContact CZ-CG1 3.85Å; F93-C174 WeakPolarHBondContact CD1-SG 3.32Å; F93-C174 WeakPolarHBondContact CE1-SG 3.42Å
94Q90.5Very high82.5Confident44 Ų4459.5 Ų59.521%0.20634%0.337CS..Hα-helixtrans-55.8-43.1172.6-77.9175.4-35.700111.9T90 R91 I96 V97 Q98 L171 C174T90-Q94 VanDerWaalsContact O-CG 3.31Å; T90-Q94 WeakPolarHBondContact O-CG 3.33Å; T90-Q94 PolarHBondContact O-N 3.07Å; R91-Q94 WeakPolarHBondContact O-CB 3.41Å; R91-Q94 PolarHBondContact O-N 3.02Å; Q94-I96 VanDerWaalsContact C-N 3.27Å; Q94-I96 PolarHBondContact O-N 3.41Å; Q94-V97 PolarHBondContact O-N 3.1Å; Q94-Q98 WeakPolarHBondContact O-CB 3.47Å; Q94-Q98 PolarHBondContact O-N 3.17Å; Q94-Q98 VanDerWaalsContact O-N 3.08Å; Q94-L171 HydrophobicContact CB-CD2 4.19Å; Q94-L171 HydrophobicContact CG-CD2 4Å; Q94-C174 HydrophobicContact CG-CB 3.46Å; Q94-C174 VanDerWaalsContact CG-CB 3.46Å; Q94-C174 VanDerWaalsContact NE2-CB 3.35Å
95S89.3Confident80.9Confident86 Ų8659.8 Ų59.860%0.60136%0.355SS*.Hα-helixtrans-69.4-20.7178.8-171.50000114R91 D92 F93R91-S95 PolarHBondContact O-N 3.22Å; D92-S95 PolarHBondContact O-N 3.14Å; F93-S95 VanDerWaalsContact C-N 3.28Å; F93-S95 PolarHBondContact O-N 3.09Å
96I86.6Confident79.7Confident48 Ų4863.4 Ų63.425%0.24636%0.364CS..Hα-helixtrans-86.6-40.8174.9-67.5163000110.3D92 F93 Q94 R100 D110 V111 A114D92-I96 WeakPolarHBondContact O-CG1 3.25Å; D92-I96 PolarHBondContact O-N 3.27Å; D92-I96 VanDerWaalsContact O-N 3.09Å; F93-I96 PolarHBondContact O-N 3.34Å; F93-I96 VanDerWaalsContact O-N 3.1Å; Q94-I96 VanDerWaalsContact C-N 3.27Å; Q94-I96 PolarHBondContact O-N 3.41Å; I96-R100 WeakPolarHBondContact O-CB 3.5Å; I96-R100 WeakPolarHBondContact O-CD 3.38Å; I96-R100 WeakPolarHBondContact O-CG 3.24Å; I96-D110 HydrophobicContact CG2-CB 3.83Å; I96-V111 HydrophobicContact CG2-CG2 3.85Å; I96-A114 HydrophobicContact CD1-CB 3.68Å
97V84.1Confident78.7Confident0 Ų064.4 Ų64.40%037%0.37CS..Hα-helixtrans-65.3-39.5178.9164.50000112.7F93 Q94 G99 R100 L101 V111 E167 V170 L171F93-V97 HydrophobicContact CD1-CG2 4.32Å; F93-V97 HydrophobicContact CD2-CG2 4.09Å; F93-V97 HydrophobicContact CE1-CG2 3.9Å; F93-V97 HydrophobicContact CE2-CG2 3.64Å; F93-V97 HydrophobicContact CG-CG2 4.41Å; F93-V97 HydrophobicContact CZ-CG2 3.52Å; F93-V97 WeakPolarHBondContact O-CG2 3.36Å; F93-V97 PolarHBondContact O-N 3.1Å; Q94-V97 PolarHBondContact O-N 3.1Å; V97-G99 PolarHBondContact O-N 3.37Å; V97-G99 VanDerWaalsContact O-N 3.13Å; V97-R100 PolarHBondContact O-N 2.95Å; V97-L101 HydrophobicContact CG1-CD1 4.39Å; V97-V111 HydrophobicContact CG2-CG1 3.96Å; V97-V111 HydrophobicContact CG2-CG2 4.3Å; V97-E167 HydrophobicContact CG1-CG 3.95Å; V97-V170 HydrophobicContact CB-CG1 4.41Å; V97-V170 HydrophobicContact CG1-CB 4.33Å; V97-V170 HydrophobicContact CG1-CG1 3.82Å; V97-V170 HydrophobicContact CG2-CG1 3.97Å; V97-L171 HydrophobicContact CG1-CD2 4.47Å
98Q82.5Confident78Confident136 Ų13664 Ų6464%0.63637%0.369SS*.THydrogen-bonded Turntrans-57.7115-168.9-172.6171.236.400113Q94 R100 E167Q94-Q98 WeakPolarHBondContact O-CB 3.47Å; Q94-Q98 PolarHBondContact O-N 3.17Å; Q94-Q98 VanDerWaalsContact O-N 3.08Å; Q98-R100 PolarHBondContact O-N 2.77Å; Q98-E167 WeakPolarHBondContact CA-OE1 3.4Å
99G70.3Confident77.2Confident60 Ų6064.5 Ų64.562%0.61937%0.367SS*.THydrogen-bonded Turntrans70.47.4-177.800000115.5V97 E167V97-G99 PolarHBondContact O-N 3.37Å; V97-G99 VanDerWaalsContact O-N 3.13Å; G99-E167 WeakPolarHBondContact CA-OE2 3.44Å; G99-E167 VanDerWaalsContact N-CD 3.29Å; G99-E167 PolarHBondContact N-OE1 2.69Å; G99-E167 PolarHBondContact N-OE2 2.81Å; G99-E167 VanDerWaalsContact N-OE2 3.16Å
100R70.8Confident76.7Confident143 Ų14366.1 Ų66.154%0.5437%0.373SS..THydrogen-bonded Turntrans-103.8-13-179.4-64.7-155.1-179.8-140.6-10114.8I96 V97 Q98 G102 D110I96-R100 WeakPolarHBondContact O-CB 3.5Å; I96-R100 WeakPolarHBondContact O-CD 3.38Å; I96-R100 WeakPolarHBondContact O-CG 3.24Å; V97-R100 PolarHBondContact O-N 2.95Å; Q98-R100 PolarHBondContact O-N 2.77Å; R100-G102 VanDerWaalsContact C-N 3.31Å; R100-D110 IonicContact CZ-OD2 3.63Å; R100-D110 IonicContact NE-OD2 3.86Å; R100-D110 IonicContact NH1-OD2 2.86Å; R100-D110 PolarHBondContact NH1-OD2 2.94Å
101L67.8Low76.3Confident18 Ų1866.1 Ų66.19%0.09437%0.373CS..SBendtrans-79.6-13.8174.1-104.659.5000113.2V97 V111 A163 K166 E167 V170V97-L101 HydrophobicContact CG1-CD1 4.39Å; L101-V111 HydrophobicContact CD1-CG1 4.31Å; L101-V111 HydrophobicContact CD1-CG2 4.2Å; L101-A163 WeakPolarHBondContact O-CB 3.31Å; L101-K166 HydrophobicContact CD2-CB 4.04Å; L101-E167 HydrophobicContact CB-CB 4.24Å; L101-E167 HydrophobicContact CD2-CB 4.36Å; L101-V170 HydrophobicContact CD2-CG2 4.32Å
102G57.6Low75.7Confident46 Ų4659.2 Ų59.247%0.47435%0.348SS..THydrogen-bonded Turntrans-57.9129.4-178.800000114.9R100 C104R100-G102 VanDerWaalsContact C-N 3.31Å; G102-C104 PolarHBondContact O-N 2.86Å
103D55.9Low75.4Confident170 Ų17057.9 Ų57.991%0.90934%0.343SS*.THydrogen-bonded Turntrans52.3-1.1175.5-84.8-8.9000118.1A105D103-A105 PolarHBondContact O-N 2.74Å
104C54.6Low75.2Confident74 Ų7458.1 Ų58.150%0.535%0.345SS..  trans-80.9120.8-178.7-153.70000111.7G102 K106G102-C104 PolarHBondContact O-N 2.86Å; C104-K106 WeakPolarHBondContact CB-O 3.34Å; C104-K106 PolarHBondContact O-N 2.84Å; C104-K106 PolarHBondContact SG-O 3.4Å
105A58.8Low75Confident101 Ų10156 Ų5684%0.83534%0.336SS*.SBendtrans-71.410.5175.700000114.4D103D103-A105 PolarHBondContact O-N 2.74Å
106K66.1Low74.7Confident101 Ų10155.6 Ų55.644%0.43933%0.329SS..SBendtrans-148.8151174.7-71.3-177.8177.5174.10109.1C104 P108 E578C104-K106 WeakPolarHBondContact CB-O 3.34Å; C104-K106 PolarHBondContact O-N 2.84Å; C104-K106 PolarHBondContact SG-O 3.4Å; K106-P108 WeakPolarHBondContact O-CD 3.45Å; K106-E578 IonicContact NZ-OE2 2.6Å; K106-E578 PolarHBondContact NZ-OE2 2.78Å
107T71.9Confident74.7Confident21 Ų2158.9 Ų58.913%0.12934%0.344CS..  trans-66.6128167.8-36.90000110.1V111 L112 L157 R585T107-V111 HydrophobicContact CG2-CB 4.11Å; T107-V111 HydrophobicContact CG2-CG1 3.73Å; T107-L112 HydrophobicContact CG2-CD2 3.78Å; T107-L112 HydrophobicContact CG2-CG 3.94Å; T107-L112 WeakPolarHBondContact O-CD1 2.96Å; T107-L157 HydrophobicContact CG2-CD2 4.03Å; T107-L157 PolarHBondContact OG1-O 3.02Å; T107-R585 PolarHBondContact OG1-NH2 3.05Å
108P80.1Confident74.9Confident29 Ų2959 Ų5919%0.18834%0.344CS..  trans-60.8151175.4-27.837.8000114.1K106 D110 V111 L112K106-P108 WeakPolarHBondContact O-CD 3.45Å; P108-D110 WeakPolarHBondContact CB-OD1 3.36Å; P108-V111 HydrophobicContact CB-CB 4.45Å; P108-V111 HydrophobicContact CB-CG2 4.08Å; P108-V111 HydrophobicContact CG-CG2 4.3Å; P108-V111 WeakPolarHBondContact O-CB 3.45Å; P108-V111 PolarHBondContact O-N 2.77Å; P108-L112 VanDerWaalsContact O-CG 3.26Å; P108-L112 WeakPolarHBondContact O-CG 3.39Å; P108-L112 PolarHBondContact O-N 2.83Å
109I76.6Confident75Confident29 Ų2953.4 Ų53.415%0.14932%0.32CS..Hα-helixtrans-69.8-36.1-173.1-58.6159.4000112.1V111 L112 C113 E574 L577 E578I109-V111 VanDerWaalsContact C-N 3.34Å; I109-V111 PolarHBondContact O-N 3.31Å; I109-L112 WeakPolarHBondContact O-CB 3.4Å; I109-L112 PolarHBondContact O-N 3.4Å; I109-L112 VanDerWaalsContact O-N 3.14Å; I109-C113 PolarHBondContact O-N 2.76Å; I109-C113 PolarHBondContact O-SG 2.59Å; I109-E574 HydrophobicContact CD1-CB 3.63Å; I109-E574 HydrophobicContact CD1-CG 4.34Å; I109-E574 WeakPolarHBondContact CD1-O 3.43Å; I109-L577 HydrophobicContact CG2-CB 4.29Å; I109-L577 HydrophobicContact CG2-CD2 3.75Å; I109-L577 HydrophobicContact CG2-CG 4.06Å; I109-E578 HydrophobicContact CD1-CB 3.79Å; I109-E578 HydrophobicContact CD1-CG 4Å; I109-E578 HydrophobicContact CG1-CB 4.03Å; I109-E578 HydrophobicContact CG1-CG 3.92Å
110D81.4Confident75.6Confident55 Ų5553.2 Ų53.229%0.29430%0.302SS..Hα-helixtrans-58.7-43.9171.951.1-14.8000111.6I96 R100 P108 A114I96-D110 HydrophobicContact CG2-CB 3.83Å; R100-D110 IonicContact CZ-OD2 3.63Å; R100-D110 IonicContact NE-OD2 3.86Å; R100-D110 IonicContact NH1-OD2 2.86Å; R100-D110 PolarHBondContact NH1-OD2 2.94Å; P108-D110 WeakPolarHBondContact CB-OD1 3.36Å; D110-A114 WeakPolarHBondContact O-CB 3.15Å; D110-A114 PolarHBondContact O-N 3.02Å; D110-A114 VanDerWaalsContact O-N 3.1Å
111V83.8Confident76.4Confident0 Ų049.1 Ų49.10%029%0.289CS..Hα-helixtrans-61.8-42.3172.21780000111.1F93 I96 V97 L101 T107 P108 I109 T115 L157F93-V111 HydrophobicContact CE2-CG1 3.83Å; F93-V111 HydrophobicContact CZ-CG1 4.41Å; I96-V111 HydrophobicContact CG2-CG2 3.85Å; V97-V111 HydrophobicContact CG2-CG1 3.96Å; V97-V111 HydrophobicContact CG2-CG2 4.3Å; L101-V111 HydrophobicContact CD1-CG1 4.31Å; L101-V111 HydrophobicContact CD1-CG2 4.2Å; T107-V111 HydrophobicContact CG2-CB 4.11Å; T107-V111 HydrophobicContact CG2-CG1 3.73Å; P108-V111 HydrophobicContact CB-CB 4.45Å; P108-V111 HydrophobicContact CB-CG2 4.08Å; P108-V111 HydrophobicContact CG-CG2 4.3Å; P108-V111 WeakPolarHBondContact O-CB 3.45Å; P108-V111 PolarHBondContact O-N 2.77Å; I109-V111 VanDerWaalsContact C-N 3.34Å; I109-V111 PolarHBondContact O-N 3.31Å; V111-T115 WeakPolarHBondContact O-CB 3.42Å; V111-T115 PolarHBondContact O-N 2.73Å; V111-T115 PolarHBondContact O-OG1 3.29Å; V111-L157 HydrophobicContact CG1-CD2 3.98Å
112L81.3Confident77.3Confident7 Ų748.3 Ų48.34%0.03729%0.285CS..Hα-helixtrans-66.8-42.8-179.5-66.6166.3000112.4T107 P108 I109 T115 V116 V581 L591T107-L112 HydrophobicContact CG2-CD2 3.78Å; T107-L112 HydrophobicContact CG2-CG 3.94Å; T107-L112 WeakPolarHBondContact O-CD1 2.96Å; P108-L112 VanDerWaalsContact O-CG 3.26Å; P108-L112 WeakPolarHBondContact O-CG 3.39Å; P108-L112 PolarHBondContact O-N 2.83Å; I109-L112 WeakPolarHBondContact O-CB 3.4Å; I109-L112 PolarHBondContact O-N 3.4Å; I109-L112 VanDerWaalsContact O-N 3.14Å; L112-T115 WeakPolarHBondContact O-CB 3.36Å; L112-T115 PolarHBondContact O-N 3.32Å; L112-V116 PolarHBondContact O-N 2.97Å; L112-V581 HydrophobicContact CD1-CB 4.32Å; L112-V581 HydrophobicContact CD1-CG1 3.99Å; L112-V581 HydrophobicContact CD1-CG2 4.23Å; L112-V581 HydrophobicContact CD2-CG1 4.13Å; L112-L591 HydrophobicContact CD2-CD1 3.4Å; L112-L591 HydrophobicContact CD2-CD2 4.11Å; L112-L591 HydrophobicContact CD2-CG 4.28Å
113C82.4Confident78.3Confident46 Ų4648.7 Ų48.731%0.31128%0.276SS..Hα-helixtrans-57.6-55.2172.5-69.50000111.2I109 T115 V116 E117 L577I109-C113 PolarHBondContact O-N 2.76Å; I109-C113 PolarHBondContact O-SG 2.59Å; C113-T115 PolarHBondContact O-N 3.28Å; C113-V116 WeakPolarHBondContact O-CB 3.21Å; C113-V116 PolarHBondContact O-N 3.36Å; C113-E117 PolarHBondContact O-N 2.88Å; C113-L577 WeakPolarHBondContact SG-CD2 3.44Å
114A86.4Confident79.5Confident6 Ų641.9 Ų41.95%0.0524%0.243CC..Hα-helixtrans-66.3-23.8-177.100000112.7F93 I96 D110 L118F93-A114 HydrophobicContact CB-CB 4.17Å; F93-A114 HydrophobicContact CD2-CB 3.74Å; F93-A114 HydrophobicContact CG-CB 4.45Å; I96-A114 HydrophobicContact CD1-CB 3.68Å; D110-A114 WeakPolarHBondContact O-CB 3.15Å; D110-A114 PolarHBondContact O-N 3.02Å; D110-A114 VanDerWaalsContact O-N 3.1Å; A114-L118 WeakPolarHBondContact O-CB 3.16Å; A114-L118 PolarHBondContact O-N 2.87Å
115T86.6Confident80.8Confident0 Ų038.3 Ų38.30%022%0.219CC..Hα-helixtrans-64.6-44.9168.3-53.30000111.3F93 V111 L112 C113 V119 L157 L591F93-T115 VanDerWaalsContact CE2-OG1 3.31Å; F93-T115 WeakPolarHBondContact CE2-OG1 3.48Å; V111-T115 WeakPolarHBondContact O-CB 3.42Å; V111-T115 PolarHBondContact O-N 2.73Å; V111-T115 PolarHBondContact O-OG1 3.29Å; L112-T115 WeakPolarHBondContact O-CB 3.36Å; L112-T115 PolarHBondContact O-N 3.32Å; C113-T115 PolarHBondContact O-N 3.28Å; T115-V119 WeakPolarHBondContact O-CB 3.2Å; T115-V119 WeakPolarHBondContact O-CG2 3.28Å; T115-V119 PolarHBondContact O-N 2.93Å; T115-L157 HydrophobicContact CG2-CD1 3.74Å; T115-L157 WeakPolarHBondContact OG1-CD1 3.48Å; T115-L591 HydrophobicContact CG2-CD1 4.27Å
116V83.5Confident81.8Confident77 Ų7734 Ų3447%0.46718%0.182SC..Hα-helixtrans-67.9-39179.3174.60000111.1L112 C113 V119 H120L112-V116 PolarHBondContact O-N 2.97Å; C113-V116 WeakPolarHBondContact O-CB 3.21Å; C113-V116 PolarHBondContact O-N 3.36Å; V116-V119 PolarHBondContact O-N 2.66Å; V116-H120 WeakPolarHBondContact O-CB 3.2Å; V116-H120 PolarHBondContact O-N 2.88Å
117E85.7Confident82.2Confident118 Ų11831.3 Ų31.355%0.55117%0.171SC*.Hα-helixtrans-64.4-46.6175.1-67.5175160.300111.8C113 V119 H120 E121C113-E117 PolarHBondContact O-N 2.88Å; E117-V119 VanDerWaalsContact C-N 3.29Å; E117-V119 PolarHBondContact O-N 2.89Å; E117-H120 WeakPolarHBondContact O-CB 3.33Å; E117-H120 PolarHBondContact O-N 3.13Å; E117-H120 VanDerWaalsContact O-N 3.1Å; E117-E121 PolarHBondContact O-N 2.79Å
118L88.3Confident82.4Confident2 Ų230.8 Ų30.81%0.0117%0.166CC..Hα-helixtrans-56.7-41.8174.3175.659.1000112.4L86 A89 T90 F93 A114 A122 L150 L153L86-L118 HydrophobicContact CD1-CD1 3.6Å; A89-L118 HydrophobicContact CB-CB 4.5Å; A89-L118 HydrophobicContact CB-CD1 4.3Å; T90-L118 VanDerWaalsContact OG1-CD1 3.3Å; T90-L118 WeakPolarHBondContact OG1-CD1 3.24Å; F93-L118 HydrophobicContact CB-CD2 4.43Å; F93-L118 HydrophobicContact CD1-CD2 3.72Å; F93-L118 HydrophobicContact CE1-CD2 4.16Å; F93-L118 HydrophobicContact CG-CD2 4.09Å; A114-L118 WeakPolarHBondContact O-CB 3.16Å; A114-L118 PolarHBondContact O-N 2.87Å; L118-A122 VanDerWaalsContact O-CB 3.29Å; L118-A122 WeakPolarHBondContact O-CB 3.44Å; L118-A122 PolarHBondContact O-N 3.24Å; L118-L150 HydrophobicContact CD2-CD2 4.11Å; L118-L150 HydrophobicContact CG-CD2 3.95Å; L118-L153 HydrophobicContact CD2-CD2 3.61Å
119V85Confident82.1Confident19 Ų1929.6 Ų29.612%0.11516%0.158CC..Hα-helixtrans-69.1-34.2176.8166.20000112.1T115 V116 E117 N123 L150 L592T115-V119 WeakPolarHBondContact O-CB 3.2Å; T115-V119 WeakPolarHBondContact O-CG2 3.28Å; T115-V119 PolarHBondContact O-N 2.93Å; V116-V119 PolarHBondContact O-N 2.66Å; E117-V119 VanDerWaalsContact C-N 3.29Å; E117-V119 PolarHBondContact O-N 2.89Å; V119-N123 WeakPolarHBondContact CG1-ND2 3.29Å; V119-N123 WeakPolarHBondContact O-CB 3.49Å; V119-N123 PolarHBondContact O-N 2.85Å; V119-N123 PolarHBondContact O-ND2 3.23Å; V119-L150 HydrophobicContact CG2-CD2 4.44Å; V119-L592 HydrophobicContact CB-CD2 4.14Å; V119-L592 HydrophobicContact CG1-CD2 3.67Å; V119-L592 HydrophobicContact CG2-CD2 3.39Å
120H83.1Confident81.6Confident55 Ų5530.5 Ų30.526%0.25517%0.167SC..Hα-helixtrans-66.5-51.8177-175.574.4000111.2V116 E117 A122 N123 A124 R256V116-H120 WeakPolarHBondContact O-CB 3.2Å; V116-H120 PolarHBondContact O-N 2.88Å; E117-H120 WeakPolarHBondContact O-CB 3.33Å; E117-H120 PolarHBondContact O-N 3.13Å; E117-H120 VanDerWaalsContact O-N 3.1Å; H120-A122 VanDerWaalsContact C-N 3.32Å; H120-A122 PolarHBondContact O-N 2.86Å; H120-N123 PolarHBondContact O-N 2.95Å; H120-A124 PolarHBondContact O-N 3.25Å; H120-R256 PolarHBondContact CD2-NH2 2.64Å; H120-R256 VanDerWaalsContact CD2-NH2 3.33Å; H120-R256 PolarHBondContact NE2-NH2 2.79Å
121E87.8Confident80.7Confident58 Ų5829.3 Ų29.327%0.27116%0.158SC..Hα-helixtrans-60-41.8176.5-66.2-59.2129.800111.7L86 A89 E117 A124 L125L86-E121 HydrophobicContact CB-CB 4.23Å; L86-E121 HydrophobicContact CD1-CB 4.3Å; A89-E121 HydrophobicContact CB-CB 4.48Å; A89-E121 HydrophobicContact CB-CG 4.05Å; E117-E121 PolarHBondContact O-N 2.79Å; E121-A124 PolarHBondContact O-N 3.07Å; E121-L125 PolarHBondContact O-N 3.11Å
122A86.3Confident79.4Confident0 Ų030.7 Ų30.70%016%0.164CC..Hα-helixtrans-64.9-43.8177.600000112.7L86 L118 H120 A124 L125 L126 I146 L150L86-A122 HydrophobicContact CD1-CB 3.75Å; L86-A122 HydrophobicContact CD2-CB 4.24Å; L118-A122 VanDerWaalsContact O-CB 3.29Å; L118-A122 WeakPolarHBondContact O-CB 3.44Å; L118-A122 PolarHBondContact O-N 3.24Å; H120-A122 VanDerWaalsContact C-N 3.32Å; H120-A122 PolarHBondContact O-N 2.86Å; A122-A124 VanDerWaalsContact C-N 3.32Å; A122-A124 PolarHBondContact O-N 3.12Å; A122-L125 PolarHBondContact O-N 3.48Å; A122-L126 WeakPolarHBondContact O-CB 3.42Å; A122-L126 VanDerWaalsContact O-CG 3.23Å; A122-L126 WeakPolarHBondContact O-CG 3.41Å; A122-L126 PolarHBondContact O-N 3.29Å; A122-I146 HydrophobicContact CB-CG2 4.12Å; A122-L150 HydrophobicContact CB-CD1 3.17Å
123N78.9Confident78Confident55 Ų5534.3 Ų34.329%0.29418%0.183SC..Hα-helixtrans-63.4-39.3174.7-79.6-56.8000111.3V119 H120 L125 L126 F127V119-N123 WeakPolarHBondContact CG1-ND2 3.29Å; V119-N123 WeakPolarHBondContact O-CB 3.49Å; V119-N123 PolarHBondContact O-N 2.85Å; V119-N123 PolarHBondContact O-ND2 3.23Å; H120-N123 PolarHBondContact O-N 2.95Å; N123-L125 PolarHBondContact O-N 3.46Å; N123-L126 PolarHBondContact O-N 3.06Å; N123-F127 HydrophobicContact CB-CD2 4.29Å; N123-F127 HydrophobicContact CB-CE2 4.04Å; N123-F127 WeakPolarHBondContact O-CB 3.14Å; N123-F127 WeakPolarHBondContact O-CD2 3.48Å; N123-F127 WeakPolarHBondContact O-CG 3.37Å; N123-F127 PolarHBondContact O-N 3.39Å
124A80.2Confident76.3Confident26 Ų2639.6 Ų39.622%0.21520%0.201CC..Hα-helixtrans-60.8-43.717600000112.2L82 H120 E121 A122 W128L82-A124 HydrophobicContact CD2-CB 3.92Å; H120-A124 PolarHBondContact O-N 3.25Å; E121-A124 PolarHBondContact O-N 3.07Å; A122-A124 VanDerWaalsContact C-N 3.32Å; A122-A124 PolarHBondContact O-N 3.12Å; A124-W128 PolarHBondContact O-N 3.43Å
125L83Confident74.2Confident0 Ų041.7 Ų41.70%022%0.215CC..Hα-helixtrans-64.5-44.8173.4-178.363.2000112.3L79 L82 T83 L86 E121 A122 N123 W128 L129 I146 I184L79-L125 HydrophobicContact CD1-CD1 3.54Å; L82-L125 HydrophobicContact CB-CB 4.33Å; L82-L125 HydrophobicContact CB-CD1 3.91Å; T83-L125 WeakPolarHBondContact OG1-CD1 3.28Å; L86-L125 HydrophobicContact CB-CD2 4.46Å; L86-L125 HydrophobicContact CD2-CD2 3.52Å; E121-L125 PolarHBondContact O-N 3.11Å; A122-L125 PolarHBondContact O-N 3.48Å; N123-L125 PolarHBondContact O-N 3.46Å; L125-W128 WeakPolarHBondContact O-CB 3.12Å; L125-W128 PolarHBondContact O-N 2.88Å; L125-W128 VanDerWaalsContact O-N 3.14Å; L125-L129 HydrophobicContact CD1-CD1 4.02Å; L125-L129 HydrophobicContact CD1-CG 4.47Å; L125-L129 HydrophobicContact CG-CD1 3.94Å; L125-L129 WeakPolarHBondContact O-CG 3.22Å; L125-L129 PolarHBondContact O-N 2.92Å; L125-I146 HydrophobicContact CD2-CD1 4.31Å; L125-I184 HydrophobicContact CD2-CD1 4.35Å
126L78.6Confident72.4Confident9 Ų948.1 Ų48.15%0.04725%0.245CC..Hα-helixtrans-64.5-39.1178.4-71.6175.4000112.4A122 N123 W128 L129 S130 C143 I146 R147A122-L126 WeakPolarHBondContact O-CB 3.42Å; A122-L126 VanDerWaalsContact O-CG 3.23Å; A122-L126 WeakPolarHBondContact O-CG 3.41Å; A122-L126 PolarHBondContact O-N 3.29Å; N123-L126 PolarHBondContact O-N 3.06Å; L126-W128 VanDerWaalsContact C-N 3.31Å; L126-L129 PolarHBondContact O-N 3.31Å; L126-S130 WeakPolarHBondContact O-CB 3.19Å; L126-S130 PolarHBondContact O-N 2.94Å; L126-S130 PolarHBondContact O-OG 3.33Å; L126-C143 HydrophobicContact CD2-CB 3.89Å; L126-C143 WeakPolarHBondContact CD2-O 3.42Å; L126-I146 HydrophobicContact CD1-CG2 4.12Å; L126-I146 HydrophobicContact CD2-CB 4.31Å; L126-I146 HydrophobicContact CD2-CG2 4.33Å; L126-I146 HydrophobicContact CG-CG2 4.27Å; L126-R147 HydrophobicContact CD1-CB 4.14Å
127F74.7Confident70.5Confident46 Ų4647.8 Ų47.820%0.20224%0.24CC..Hα-helixtrans-67.7-30.4172.8-72-52.8000112.2N123 S130 R131N123-F127 HydrophobicContact CB-CD2 4.29Å; N123-F127 HydrophobicContact CB-CE2 4.04Å; N123-F127 WeakPolarHBondContact O-CB 3.14Å; N123-F127 WeakPolarHBondContact O-CD2 3.48Å; N123-F127 WeakPolarHBondContact O-CG 3.37Å; N123-F127 PolarHBondContact O-N 3.39Å; F127-S130 WeakPolarHBondContact CA-OG 3.42Å; F127-S130 PolarHBondContact O-OG 2.84Å; F127-S130 VanDerWaalsContact O-OG 3.14Å; F127-R131 WeakPolarHBondContact O-CG 3.19Å; F127-R131 PolarHBondContact O-NH1 2.94Å
128W77.4Confident68.6Low9 Ų949.7 Ų49.73%0.03425%0.254CS..Hα-helixtrans-67.2-45.8172.1-170.2-81.7000111.8E77 L82 A124 L125 L126 R131 Q195 A197 I284E77-W128 HydrophobicContact CB-CE3 4.35Å; E77-W128 HydrophobicContact CB-CH2 4.31Å; E77-W128 HydrophobicContact CB-CZ3 3.65Å; E77-W128 WeakPolarHBondContact O-CH2 3.24Å; L82-W128 HydrophobicContact CD1-CB 3.56Å; L82-W128 HydrophobicContact CD1-CD2 3.7Å; L82-W128 HydrophobicContact CD1-CE3 3.58Å; L82-W128 HydrophobicContact CD1-CG 3.72Å; L82-W128 HydrophobicContact CD1-CZ3 4.47Å; A124-W128 PolarHBondContact O-N 3.43Å; L125-W128 WeakPolarHBondContact O-CB 3.12Å; L125-W128 PolarHBondContact O-N 2.88Å; L125-W128 VanDerWaalsContact O-N 3.14Å; L126-W128 VanDerWaalsContact C-N 3.31Å; W128-R131 PolarHBondContact O-N 3.3Å; W128-Q195 WeakPolarHBondContact CZ2-O 3.42Å; W128-A197 HydrophobicContact CH2-CB 3.77Å; W128-A197 HydrophobicContact CZ3-CB 3.94Å; W128-I284 HydrophobicContact CD2-CD1 3.84Å; W128-I284 HydrophobicContact CE3-CD1 4.35Å; W128-I284 HydrophobicContact CG-CD1 4.25Å; W128-I284 HydrophobicContact CH2-CD1 4.35Å; W128-I284 HydrophobicContact CH2-CG1 4.24Å; W128-I284 HydrophobicContact CZ2-CD1 3.8Å; W128-I284 HydrophobicContact CZ2-CG1 3.89Å; W128-I284 HydrophobicContact CZ2-CG2 4.25Å
129L74.1Confident67Low4 Ų456.6 Ų56.62%0.02129%0.291CS..Hα-helixtrans-72.6-29.3179.9-68.2165.5000112.6L79 L125 L126 R131 Y132 F140 I184L79-L129 HydrophobicContact CD1-CD1 4.39Å; L79-L129 HydrophobicContact CD1-CD2 3.73Å; L79-L129 HydrophobicContact CD1-CG 4.08Å; L79-L129 HydrophobicContact CD2-CD2 4.42Å; L125-L129 HydrophobicContact CD1-CD1 4.02Å; L125-L129 HydrophobicContact CD1-CG 4.47Å; L125-L129 HydrophobicContact CG-CD1 3.94Å; L125-L129 WeakPolarHBondContact O-CG 3.22Å; L125-L129 PolarHBondContact O-N 2.92Å; L126-L129 PolarHBondContact O-N 3.31Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.85Å; L129-Y132 WeakPolarHBondContact O-CB 3.33Å; L129-Y132 PolarHBondContact O-N 3.42Å; L129-Y132 VanDerWaalsContact O-N 3.08Å; L129-F140 HydrophobicContact CD2-CE1 4.07Å; L129-F140 HydrophobicContact CD2-CZ 4.16Å; L129-I184 HydrophobicContact CD1-CD1 4.34Å
130S65.8Low65.6Low48 Ų4857.5 Ų57.534%0.33629%0.294SS..Hα-helixtrans-68.2-28.7174.469.70000113.4L126 F127 Y132L126-S130 WeakPolarHBondContact O-CB 3.19Å; L126-S130 PolarHBondContact O-N 2.94Å; L126-S130 PolarHBondContact O-OG 3.33Å; F127-S130 WeakPolarHBondContact CA-OG 3.42Å; F127-S130 PolarHBondContact O-OG 2.84Å; F127-S130 VanDerWaalsContact O-OG 3.14Å; S130-Y132 PolarHBondContact O-N 3.24Å
131R62.7Low64.6Low30 Ų3058.2 Ų58.211%0.11331%0.305CS..THydrogen-bonded Turntrans-68.8-8170.8-64.4-171.7-158.975.313.6113.5F127 W128 L129 F221 G240 E242 I284F127-R131 WeakPolarHBondContact O-CG 3.19Å; F127-R131 PolarHBondContact O-NH1 2.94Å; W128-R131 PolarHBondContact O-N 3.3Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.85Å; R131-F221 HydrophobicContact CG-CD1 4.49Å; R131-F221 HydrophobicContact CG-CE1 4.04Å; R131-G240 WeakPolarHBondContact CG-O 3.41Å; R131-E242 IonicContact CZ-OE2 3.24Å; R131-E242 IonicContact NE-OE2 2.66Å; R131-E242 PolarHBondContact NE-OE2 3.4Å; R131-E242 IonicContact NH2-OE1 3.16Å; R131-E242 PolarHBondContact NH2-OE1 3.27Å; R131-E242 VanDerWaalsContact NH2-OE1 3.12Å; R131-E242 IonicContact NH2-OE2 2.7Å; R131-E242 PolarHBondContact NH2-OE2 2.96Å; R131-I284 HydrophobicContact CB-CD1 4.14Å
132Y56.3Low63.4Low30 Ų3056.4 Ų56.412%0.11830%0.3CS..THydrogen-bonded Turntrans-104.4-15-175.6-169.8-93.3000113.6L129 S130 F134 L137 F140 L192 I286L129-Y132 WeakPolarHBondContact O-CB 3.33Å; L129-Y132 PolarHBondContact O-N 3.42Å; L129-Y132 VanDerWaalsContact O-N 3.08Å; S130-Y132 PolarHBondContact O-N 3.24Å; Y132-F134 VanDerWaalsContact C-N 3.28Å; Y132-F134 PolarHBondContact O-N 3.45Å; Y132-L137 HydrophobicContact CE1-CB 3.96Å; Y132-L137 HydrophobicContact CE1-CD1 3.66Å; Y132-L137 HydrophobicContact CE1-CG 3.79Å; Y132-F140 AromaticContact CD1-CE2 3.97Å; Y132-F140 HydrophobicContact CD1-CE2 3.97Å; Y132-F140 HydrophobicContact CE1-CE2 4.17Å; Y132-L192 HydrophobicContact CE2-CD1 3.83Å; Y132-I286 HydrophobicContact CD2-CD1 4.5Å; Y132-I286 HydrophobicContact CE2-CD1 3.87Å; Y132-I286 HydrophobicContact CE2-CG1 4.07Å
133L50.4Low62.3Low83 Ų8357.1 Ų57.144%0.43531%0.305SS..THydrogen-bonded Turntrans-83.934.2-158.4-94.2170000116.4F140L133-F140 HydrophobicContact CD2-CB 4.13Å; L133-F140 HydrophobicContact CD2-CD2 3.96Å; L133-F140 HydrophobicContact CD2-CG 4.47Å
134F47.1Very low61.9Low156 Ų15659.1 Ų59.168%0.68431%0.312SS*.THydrogen-bonded Turntrans-1319.1-178.8-81.6-66.1000117Y132 P239Y132-F134 VanDerWaalsContact C-N 3.28Å; Y132-F134 PolarHBondContact O-N 3.45Å; F134-P239 HydrophobicContact CD2-CB 4.06Å; F134-P239 HydrophobicContact CE2-CB 4.42Å; F134-P239 HydrophobicContact CG-CB 4.31Å
135S42.9Very low61.9Low50 Ų5061 Ų6135%0.3532%0.316SS..SBendtrans-142.2-58.3-178.8620000118.4
136H47.6Very low62Low135 Ų13561 Ų6163%0.62532%0.317SS*.SBendtrans-135.32.1-150.4-67.9-31.2000120.7
137L45.1Very low62.1Low70 Ų7065.3 Ų65.337%0.36633%0.332SS..  trans-129.3117.6170.9-66.6174.7000112.1Y132 D139 F140 L192Y132-L137 HydrophobicContact CE1-CB 3.96Å; Y132-L137 HydrophobicContact CE1-CD1 3.66Å; Y132-L137 HydrophobicContact CE1-CG 3.79Å; L137-D139 PolarHBondContact O-N 3.25Å; L137-F140 HydrophobicContact CB-CD2 4.45Å; L137-F140 HydrophobicContact CB-CE2 3.82Å; L137-F140 HydrophobicContact CD1-CE2 4.06Å; L137-F140 HydrophobicContact CD1-CZ 4.1Å; L137-L192 HydrophobicContact CD1-CD1 4.14Å
138N45.1Very low62.6Low158 Ų15866.7 Ų66.785%0.84534%0.342SS*.SBendtrans-94.846.5-167.7-65.6-11.7000114.2
139D54.3Low63.1Low148 Ų14867 Ų6779%0.79134%0.344SS*.  trans-173.9121.4152.6-104-32000110.9L137L137-D139 PolarHBondContact O-N 3.25Å
140F57.2Low63.6Low37 Ų3767.2 Ų67.216%0.16235%0.345CS..  trans-141.236.2177.4-89.3-59.7000112.3L129 Y132 L133 L137 A142 C143L129-F140 HydrophobicContact CD2-CE1 4.07Å; L129-F140 HydrophobicContact CD2-CZ 4.16Å; Y132-F140 AromaticContact CD1-CE2 3.97Å; Y132-F140 HydrophobicContact CD1-CE2 3.97Å; Y132-F140 HydrophobicContact CE1-CE2 4.17Å; L133-F140 HydrophobicContact CD2-CB 4.13Å; L133-F140 HydrophobicContact CD2-CD2 3.96Å; L133-F140 HydrophobicContact CD2-CG 4.47Å; L137-F140 HydrophobicContact CB-CD2 4.45Å; L137-F140 HydrophobicContact CB-CE2 3.82Å; L137-F140 HydrophobicContact CD1-CE2 4.06Å; L137-F140 HydrophobicContact CD1-CZ 4.1Å; F140-A142 PolarHBondContact O-N 2.92Å; F140-A142 VanDerWaalsContact O-N 3.14Å; F140-C143 WeakPolarHBondContact O-CB 3.35Å; F140-C143 PolarHBondContact O-N 2.75Å
141S62.1Low64.4Low70 Ų7068.7 Ų68.749%0.4935%0.347SS..Hα-helixtrans-49.4-39.1171.267.20000111.6C143 Q144 E145S141-C143 PolarHBondContact O-N 3.27Å; S141-Q144 WeakPolarHBondContact O-CA 3.38Å; S141-Q144 WeakPolarHBondContact O-CB 3.03Å; S141-Q144 PolarHBondContact O-N 3.05Å; S141-E145 WeakPolarHBondContact CB-OE1 3.32Å; S141-E145 WeakPolarHBondContact O-CG 3.34Å; S141-E145 PolarHBondContact O-N 3.08Å; S141-E145 PolarHBondContact OG-OE1 3Å
142A61.8Low65.6Low21 Ų2170.6 Ų70.617%0.17436%0.357CS..Hα-helixtrans-39.1-37.3168.500000115.8F140 E145 I146 I180F140-A142 PolarHBondContact O-N 2.92Å; F140-A142 VanDerWaalsContact O-N 3.14Å; A142-E145 PolarHBondContact N-OE1 2.79Å; A142-I146 VanDerWaalsContact O-CG1 3.32Å; A142-I146 WeakPolarHBondContact O-CG1 3.26Å; A142-I146 PolarHBondContact O-N 3.09Å; A142-I180 HydrophobicContact CB-CG2 3.67Å
143C63.9Low67.1Low14 Ų1469.2 Ų69.210%0.09535%0.352CS..Hα-helixtrans-73.6-39.7179-610000111.8L126 F140 S141 R147L126-C143 HydrophobicContact CD2-CB 3.89Å; L126-C143 WeakPolarHBondContact CD2-O 3.42Å; F140-C143 WeakPolarHBondContact O-CB 3.35Å; F140-C143 PolarHBondContact O-N 2.75Å; S141-C143 PolarHBondContact O-N 3.27Å; C143-R147 PolarHBondContact O-N 2.86Å
144Q69.1Low68.7Low97 Ų9765.4 Ų65.445%0.45333%0.332SS..Hα-helixtrans-70.4-42.2173.9-171.45840.400110.1S141 I146 R147 D148S141-Q144 WeakPolarHBondContact O-CA 3.38Å; S141-Q144 WeakPolarHBondContact O-CB 3.03Å; S141-Q144 PolarHBondContact O-N 3.05Å; Q144-I146 PolarHBondContact O-N 3.29Å; Q144-R147 WeakPolarHBondContact O-CB 3.43Å; Q144-R147 PolarHBondContact O-N 3.1Å; Q144-D148 PolarHBondContact NE2-OD1 3.08Å; Q144-D148 PolarHBondContact NE2-OD2 3.34Å; Q144-D148 PolarHBondContact O-N 3.5Å
145E81.1Confident70.4Confident65 Ų6561.3 Ų61.330%0.30432%0.315SS..Hα-helixtrans-56-46.6175-69164.6-132.500112.3S141 A142 R147 D148 L149 H176 I180S141-E145 WeakPolarHBondContact CB-OE1 3.32Å; S141-E145 WeakPolarHBondContact O-CG 3.34Å; S141-E145 PolarHBondContact O-N 3.08Å; S141-E145 PolarHBondContact OG-OE1 3Å; A142-E145 PolarHBondContact N-OE1 2.79Å; E145-R147 VanDerWaalsContact C-N 3.31Å; E145-R147 PolarHBondContact O-N 2.63Å; E145-D148 PolarHBondContact O-N 2.84Å; E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 VanDerWaalsContact O-CD1 3.32Å; E145-L149 WeakPolarHBondContact O-CD1 3.27Å; E145-L149 WeakPolarHBondContact O-CG 3.45Å; E145-L149 PolarHBondContact O-N 2.76Å; E145-H176 IonicContact OE2-NE2 3.86Å; E145-I180 HydrophobicContact CB-CD1 3.86Å
146I83.9Confident72.3Confident1 Ų160 Ų601%0.00530%0.304CS..Hα-helixtrans-58-42.9174.8-72.6167.3000111.4L86 A122 L125 L126 A142 Q144 L150 I180L86-I146 HydrophobicContact CD2-CD1 4.29Å; A122-I146 HydrophobicContact CB-CG2 4.12Å; L125-I146 HydrophobicContact CD2-CD1 4.31Å; L126-I146 HydrophobicContact CD1-CG2 4.12Å; L126-I146 HydrophobicContact CD2-CB 4.31Å; L126-I146 HydrophobicContact CD2-CG2 4.33Å; L126-I146 HydrophobicContact CG-CG2 4.27Å; A142-I146 VanDerWaalsContact O-CG1 3.32Å; A142-I146 WeakPolarHBondContact O-CG1 3.26Å; A142-I146 PolarHBondContact O-N 3.09Å; Q144-I146 PolarHBondContact O-N 3.29Å; I146-L150 HydrophobicContact CG2-CD1 3.83Å; I146-L150 WeakPolarHBondContact O-CD1 3.37Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 3.41Å; I146-L150 PolarHBondContact O-N 3.1Å; I146-L150 VanDerWaalsContact O-N 3.15Å; I146-I180 HydrophobicContact CD1-CB 4.42Å; I146-I180 HydrophobicContact CD1-CG2 3.68Å; I146-I180 HydrophobicContact CG1-CB 4.38Å; I146-I180 HydrophobicContact CG1-CD1 3.96Å; I146-I180 HydrophobicContact CG1-CG2 4Å
147R81.1Confident73.9Confident100 Ų10053.9 Ų53.938%0.37728%0.276SS..Hα-helixtrans-63.6-44.1179.7-176.2-175.6-59.2-72.2-1111.7L126 C143 Q144 E145 E151L126-R147 HydrophobicContact CD1-CB 4.14Å; C143-R147 PolarHBondContact O-N 2.86Å; Q144-R147 WeakPolarHBondContact O-CB 3.43Å; Q144-R147 PolarHBondContact O-N 3.1Å; E145-R147 VanDerWaalsContact C-N 3.31Å; E145-R147 PolarHBondContact O-N 2.63Å; R147-E151 PolarHBondContact O-N 2.94Å
148D84.8Confident75.2Confident75 Ų7551.2 Ų51.240%0.40126%0.262SS..Hα-helixtrans-73.4-39.1-176.9-61.6-16.3000111.1Q144 E145 L150 E151 E152Q144-D148 PolarHBondContact NE2-OD1 3.08Å; Q144-D148 PolarHBondContact NE2-OD2 3.34Å; Q144-D148 PolarHBondContact O-N 3.5Å; E145-D148 PolarHBondContact O-N 2.84Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 3.45Å; D148-E151 WeakPolarHBondContact O-CB 3.39Å; D148-E151 PolarHBondContact O-N 2.99Å; D148-E152 PolarHBondContact O-N 2.85Å
149L88.2Confident76.5Confident14 Ų1448.5 Ų48.57%0.07324%0.244CC..Hα-helixtrans-60.9-38.2174-75.7166.2000112.5E145 E151 E152 L153 I173 H176 V177 I180E145-L149 WeakPolarHBondContact O-CB 3.49Å; E145-L149 VanDerWaalsContact O-CD1 3.32Å; E145-L149 WeakPolarHBondContact O-CD1 3.27Å; E145-L149 WeakPolarHBondContact O-CG 3.45Å; E145-L149 PolarHBondContact O-N 2.76Å; L149-E151 VanDerWaalsContact C-N 3.34Å; L149-E152 PolarHBondContact O-N 3.16Å; L149-L153 WeakPolarHBondContact O-CB 3.34Å; L149-L153 PolarHBondContact O-N 3.08Å; L149-I173 HydrophobicContact CB-CG2 3.97Å; L149-I173 HydrophobicContact CD2-CG2 4.06Å; L149-I173 VanDerWaalsContact O-CG2 3.31Å; L149-I173 WeakPolarHBondContact O-CG2 3.32Å; L149-H176 HydrophobicContact CD1-CB 4.02Å; L149-H176 WeakPolarHBondContact CD1-ND1 3.17Å; L149-H176 HydrophobicContact CD2-CB 4.21Å; L149-V177 HydrophobicContact CB-CG2 4.02Å; L149-V177 HydrophobicContact CD1-CG2 3.93Å; L149-I180 HydrophobicContact CD1-CD1 3.85Å
150L84.7Confident77.1Confident10 Ų1049.1 Ų49.15%0.05225%0.248CC..Hα-helixtrans-76.2-24.2178.1-68.6165.9000112.8L118 V119 A122 I146 D148 L153 S154L118-L150 HydrophobicContact CD2-CD2 4.11Å; L118-L150 HydrophobicContact CG-CD2 3.95Å; V119-L150 HydrophobicContact CG2-CD2 4.44Å; A122-L150 HydrophobicContact CB-CD1 3.17Å; I146-L150 HydrophobicContact CG2-CD1 3.83Å; I146-L150 WeakPolarHBondContact O-CD1 3.37Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 3.41Å; I146-L150 PolarHBondContact O-N 3.1Å; I146-L150 VanDerWaalsContact O-N 3.15Å; D148-L150 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 3.45Å; L150-L153 HydrophobicContact CD2-CD2 4Å; L150-S154 VanDerWaalsContact O-CB 3.31Å; L150-S154 WeakPolarHBondContact O-CB 3.33Å; L150-S154 PolarHBondContact O-N 3.34Å; L150-S154 VanDerWaalsContact O-N 3.09Å; L150-S154 PolarHBondContact O-OG 2.87Å
151E83.9Confident77.6Confident79 Ų7949.3 Ų49.337%0.36926%0.26SS..Hα-helixtrans-70.9-46.5166.7177.8153.9-13900111.6R147 D148 L149 L153 S154 Q155 R594R147-E151 PolarHBondContact O-N 2.94Å; D148-E151 WeakPolarHBondContact O-CB 3.39Å; D148-E151 PolarHBondContact O-N 2.99Å; L149-E151 VanDerWaalsContact C-N 3.34Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.48Å; E151-S154 PolarHBondContact O-N 2.89Å; E151-Q155 PolarHBondContact O-N 3.19Å; E151-R594 WeakPolarHBondContact OE1-CD 3.37Å; E151-R594 IonicContact OE1-CZ 2.7Å; E151-R594 IonicContact OE1-NE 3.21Å; E151-R594 IonicContact OE1-NH1 3.67Å; E151-R594 PolarHBondContact OE1-NH1 3.45Å; E151-R594 IonicContact OE1-NH2 3.84Å; E151-R594 IonicContact OE2-CZ 2.69Å; E151-R594 IonicContact OE2-NE 3.71Å; E151-R594 IonicContact OE2-NH1 3.12Å; E151-R594 PolarHBondContact OE2-NH1 2.93Å; E151-R594 IonicContact OE2-NH2 2.77Å; E151-R594 PolarHBondContact OE2-NH2 2.98Å
152E87.9Confident78.1Confident70 Ų7049.1 Ų49.133%0.32726%0.258SS..Hα-helixtrans-55.4-49.3172.3-168.5-168.5158.100110.7D148 L149 S154 Q155 V156 R172 I173D148-E152 PolarHBondContact O-N 2.85Å; L149-E152 PolarHBondContact O-N 3.16Å; E152-S154 VanDerWaalsContact C-N 3.31Å; E152-S154 PolarHBondContact O-N 2.91Å; E152-Q155 PolarHBondContact O-N 2.99Å; E152-V156 HydrophobicContact CG-CG2 4.47Å; E152-V156 WeakPolarHBondContact O-CB 3.45Å; E152-V156 VanDerWaalsContact O-CG2 3.23Å; E152-V156 WeakPolarHBondContact O-CG2 3.36Å; E152-V156 PolarHBondContact O-N 2.8Å; E152-R172 IonicContact OE1-CZ 3.7Å; E152-R172 IonicContact OE1-NH2 2.66Å; E152-R172 PolarHBondContact OE1-NH2 3.06Å; E152-I173 HydrophobicContact CB-CD1 4.04Å; E152-I173 HydrophobicContact CG-CD1 3.69Å; E152-I173 HydrophobicContact CG-CG1 4.36Å
153L87.6Confident78.5Confident1 Ų149.2 Ų49.21%0.00526%0.258CS..Hα-helixtrans-54.7-48.5177.3177.661.3000111.4F93 L118 L149 L150 E151 V156 L157 V170 I173F93-L153 HydrophobicContact CE1-CD1 3.85Å; F93-L153 HydrophobicContact CE1-CD2 3.98Å; F93-L153 HydrophobicContact CZ-CD1 3.96Å; F93-L153 HydrophobicContact CZ-CD2 4.24Å; L118-L153 HydrophobicContact CD2-CD2 3.61Å; L149-L153 WeakPolarHBondContact O-CB 3.34Å; L149-L153 PolarHBondContact O-N 3.08Å; L150-L153 HydrophobicContact CD2-CD2 4Å; E151-L153 VanDerWaalsContact C-N 3.34Å; E151-L153 PolarHBondContact O-N 3.48Å; L153-V156 PolarHBondContact O-N 3.05Å; L153-L157 HydrophobicContact CD1-CD1 4Å; L153-L157 HydrophobicContact CD1-CG 4.32Å; L153-L157 HydrophobicContact CG-CD1 3.99Å; L153-L157 WeakPolarHBondContact O-CB 3.4Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 2.9Å; L153-V170 HydrophobicContact CD1-CB 4.22Å; L153-V170 HydrophobicContact CD1-CG1 3.71Å; L153-V170 HydrophobicContact CD1-CG2 3.96Å; L153-I173 HydrophobicContact CB-CD1 4.32Å; L153-I173 HydrophobicContact CB-CG2 4.08Å
154S83.3Confident78.8Confident3 Ų354.4 Ų54.42%0.02129%0.285CS..Hα-helixtrans-67.5-39.3-177.2-64.10000111.6L150 E151 E152 L157 H158 L592L150-S154 VanDerWaalsContact O-CB 3.31Å; L150-S154 WeakPolarHBondContact O-CB 3.33Å; L150-S154 PolarHBondContact O-N 3.34Å; L150-S154 VanDerWaalsContact O-N 3.09Å; L150-S154 PolarHBondContact O-OG 2.87Å; E151-S154 PolarHBondContact O-N 2.89Å; E152-S154 VanDerWaalsContact C-N 3.31Å; E152-S154 PolarHBondContact O-N 2.91Å; S154-L157 PolarHBondContact O-N 3.26Å; S154-H158 PolarHBondContact O-N 2.62Å; S154-H158 PolarHBondContact O-ND1 3.43Å; S154-L592 VanDerWaalsContact OG-CD1 3.27Å; S154-L592 WeakPolarHBondContact OG-CD1 3.24Å; S154-L592 WeakPolarHBondContact OG-CD2 3.35Å; S154-L592 WeakPolarHBondContact OG-CG 3.27Å
155Q82.8Confident79.2Confident69 Ų6956 Ų5632%0.32229%0.293SS..Hα-helixtrans-65.3-45.2175.9-174.564.23.500111.3E151 E152 L157 H158 E159E151-Q155 PolarHBondContact O-N 3.19Å; E152-Q155 PolarHBondContact O-N 2.99Å; Q155-L157 VanDerWaalsContact C-N 3.29Å; Q155-L157 PolarHBondContact O-N 2.86Å; Q155-H158 WeakPolarHBondContact O-CA 3.37Å; Q155-H158 PolarHBondContact O-N 2.89Å; Q155-E159 HydrophobicContact CG-CG 4.11Å; Q155-E159 PolarHBondContact NE2-OE1 3.34Å; Q155-E159 PolarHBondContact O-N 2.6Å
156V83.6Confident79.2Confident22 Ų2255.1 Ų55.113%0.13329%0.288CS..Hα-helixtrans-61.4-35.1177.71720000112.3E152 L153 H158 K166 T169 V170E152-V156 HydrophobicContact CG-CG2 4.47Å; E152-V156 WeakPolarHBondContact O-CB 3.45Å; E152-V156 VanDerWaalsContact O-CG2 3.23Å; E152-V156 WeakPolarHBondContact O-CG2 3.36Å; E152-V156 PolarHBondContact O-N 2.8Å; L153-V156 PolarHBondContact O-N 3.05Å; V156-H158 VanDerWaalsContact C-N 3.26Å; V156-H158 PolarHBondContact O-N 2.94Å; V156-K166 HydrophobicContact CG1-CB 4.33Å; V156-K166 HydrophobicContact CG1-CG 4.27Å; V156-T169 HydrophobicContact CB-CG2 4.36Å; V156-T169 HydrophobicContact CG1-CG2 3.96Å; V156-T169 HydrophobicContact CG2-CG2 3.64Å; V156-V170 HydrophobicContact CG1-CG2 3.9Å
157L80.7Confident79.3Confident7 Ų756.8 Ų56.84%0.03730%0.295CS..THydrogen-bonded Turntrans-74-10.7173-69.2170.2000113.8F93 T107 V111 T115 L153 S154 Q155 V170 R585F93-L157 HydrophobicContact CZ-CD1 4.12Å; T107-L157 HydrophobicContact CG2-CD2 4.03Å; T107-L157 PolarHBondContact OG1-O 3.02Å; V111-L157 HydrophobicContact CG1-CD2 3.98Å; T115-L157 HydrophobicContact CG2-CD1 3.74Å; T115-L157 WeakPolarHBondContact OG1-CD1 3.48Å; L153-L157 HydrophobicContact CD1-CD1 4Å; L153-L157 HydrophobicContact CD1-CG 4.32Å; L153-L157 HydrophobicContact CG-CD1 3.99Å; L153-L157 WeakPolarHBondContact O-CB 3.4Å; L153-L157 VanDerWaalsContact O-CG 3.26Å; L153-L157 WeakPolarHBondContact O-CG 3.44Å; L153-L157 PolarHBondContact O-N 2.9Å; S154-L157 PolarHBondContact O-N 3.26Å; Q155-L157 VanDerWaalsContact C-N 3.29Å; Q155-L157 PolarHBondContact O-N 2.86Å; L157-V170 HydrophobicContact CD2-CG2 4.15Å; L157-V170 HydrophobicContact CG-CG2 4.48Å; L157-R585 PolarHBondContact O-NH2 2.82Å
158H72.3Confident79.5Confident14 Ų1454.1 Ų54.17%0.06530%0.299CS..THydrogen-bonded Turntrans-108-29.4178.9-73.266.1000115S154 Q155 V156 R585 L591 Q596S154-H158 PolarHBondContact O-N 2.62Å; S154-H158 PolarHBondContact O-ND1 3.43Å; Q155-H158 WeakPolarHBondContact O-CA 3.37Å; Q155-H158 PolarHBondContact O-N 2.89Å; V156-H158 VanDerWaalsContact C-N 3.26Å; V156-H158 PolarHBondContact O-N 2.94Å; H158-R585 PolarHBondContact CD2-NE 3.33Å; H158-R585 PolarHBondContact O-NH1 2.88Å; H158-L591 PolarHBondContact NE2-N 3.28Å; H158-Q596 VanDerWaalsContact CB-NE2 3.28Å
159E73.4Confident79.6Confident102 Ų10251.8 Ų51.848%0.47729%0.287SS..SBendtrans-69.7153.8-179.6-72.7-176.8164.900113.2Q155 K166Q155-E159 HydrophobicContact CG-CG 4.11Å; Q155-E159 PolarHBondContact NE2-OE1 3.34Å; Q155-E159 PolarHBondContact O-N 2.6Å; E159-K166 WeakPolarHBondContact O-CE 3.48Å; E159-K166 PolarHBondContact O-NZ 2.97Å
160D65.1Low79.6Confident160 Ų16051.1 Ų51.186%0.85628%0.284SS*.  trans-90.6129.3171.3-74-43.3000109.9
161G69.2Low79.8Confident42 Ų4252.7 Ų52.743%0.43329%0.292SS..  trans172.6167-168.700000111.7K166G161-K166 VanDerWaalsContact O-CE 3.3Å; G161-K166 WeakPolarHBondContact O-CE 3.44Å; G161-K166 PolarHBondContact O-NZ 3.48Å; G161-K166 VanDerWaalsContact O-NZ 3.09Å
162P71.3Confident80.2Confident66 Ų6655.2 Ų55.243%0.42930%0.298SS..  trans-64.4142.4-173.427.2-34.4000112.4D164 E165 K166P162-D164 PolarHBondContact O-N 3.46Å; P162-E165 HydrophobicContact CG-CB 4.05Å; P162-E165 HydrophobicContact CG-CG 3.83Å; P162-E165 WeakPolarHBondContact CG-OE2 3.42Å; P162-K166 WeakPolarHBondContact O-CG 3.12Å; P162-K166 PolarHBondContact O-N 3.06Å
163A70.9Confident80.4Confident23 Ų2351.9 Ų51.919%0.1928%0.283CS..Hα-helixtrans-66.9-35.3-16900000113.7L101 E167L101-A163 WeakPolarHBondContact O-CB 3.31Å; A163-E167 WeakPolarHBondContact O-CB 3.08Å; A163-E167 PolarHBondContact O-N 3.3Å
164D69.6Low80.6Confident122 Ų12252 Ų5265%0.65228%0.283SS*.Hα-helixtrans-73.6-41.6-178.353.9-50.6000112.7P162 K166 E167 G168P162-D164 PolarHBondContact O-N 3.46Å; D164-K166 VanDerWaalsContact C-N 3.32Å; D164-E167 PolarHBondContact O-N 3.3Å; D164-G168 PolarHBondContact O-N 3.4Å
165E78.2Confident81Confident132 Ų13255.1 Ų55.162%0.61731%0.305SS*.Hα-helixtrans-67-35.7173.5-58.5-172.8153.600111.7P162 T169P162-E165 HydrophobicContact CG-CB 4.05Å; P162-E165 HydrophobicContact CG-CG 3.83Å; P162-E165 WeakPolarHBondContact CG-OE2 3.42Å; E165-T169 VanDerWaalsContact O-CB 3.27Å; E165-T169 WeakPolarHBondContact O-CB 3.32Å; E165-T169 PolarHBondContact O-N 3.08Å; E165-T169 PolarHBondContact O-OG1 3.29Å
166K81.7Confident81.5Confident46 Ų4656.1 Ų56.120%0.231%0.31CS..Hα-helixtrans-64.1-54.2171.9-76.6171.6167174.80111.8L101 V156 E159 G161 P162 D164 G168 T169 V170L101-K166 HydrophobicContact CD2-CB 4.04Å; V156-K166 HydrophobicContact CG1-CB 4.33Å; V156-K166 HydrophobicContact CG1-CG 4.27Å; E159-K166 WeakPolarHBondContact O-CE 3.48Å; E159-K166 PolarHBondContact O-NZ 2.97Å; G161-K166 VanDerWaalsContact O-CE 3.3Å; G161-K166 WeakPolarHBondContact O-CE 3.44Å; G161-K166 PolarHBondContact O-NZ 3.48Å; G161-K166 VanDerWaalsContact O-NZ 3.09Å; P162-K166 WeakPolarHBondContact O-CG 3.12Å; P162-K166 PolarHBondContact O-N 3.06Å; D164-K166 VanDerWaalsContact C-N 3.32Å; K166-G168 VanDerWaalsContact C-N 3.34Å; K166-G168 PolarHBondContact O-N 3.43Å; K166-T169 PolarHBondContact O-N 2.88Å; K166-T169 VanDerWaalsContact O-N 3.1Å; K166-V170 WeakPolarHBondContact O-CG2 3.42Å; K166-V170 PolarHBondContact O-N 3.45Å
167E84.6Confident81.8Confident36 Ų3655.2 Ų55.217%0.16830%0.304CS..Hα-helixtrans-60.4-44.7-178.6-169.7175.2140.200111V97 Q98 G99 L101 A163 D164 T169 V170 L171V97-E167 HydrophobicContact CG1-CG 3.95Å; Q98-E167 WeakPolarHBondContact CA-OE1 3.4Å; G99-E167 WeakPolarHBondContact CA-OE2 3.44Å; G99-E167 VanDerWaalsContact N-CD 3.29Å; G99-E167 PolarHBondContact N-OE1 2.69Å; G99-E167 PolarHBondContact N-OE2 2.81Å; G99-E167 VanDerWaalsContact N-OE2 3.16Å; L101-E167 HydrophobicContact CB-CB 4.24Å; L101-E167 HydrophobicContact CD2-CB 4.36Å; A163-E167 WeakPolarHBondContact O-CB 3.08Å; A163-E167 PolarHBondContact O-N 3.3Å; D164-E167 PolarHBondContact O-N 3.3Å; E167-T169 VanDerWaalsContact C-N 3.29Å; E167-T169 PolarHBondContact O-N 2.63Å; E167-V170 PolarHBondContact O-N 2.85Å; E167-L171 HydrophobicContact CG-CD1 4.04Å; E167-L171 HydrophobicContact CG-CG 4.4Å; E167-L171 WeakPolarHBondContact O-CB 3.42Å; E167-L171 VanDerWaalsContact O-CG 3.27Å; E167-L171 WeakPolarHBondContact O-CG 3.28Å; E167-L171 PolarHBondContact O-N 3.35Å
168G85.4Confident82.4Confident43 Ų4355.5 Ų55.544%0.44331%0.308SS..Hα-helixtrans-60.1-36174.400000113.5D164 K166 R172D164-G168 PolarHBondContact O-N 3.4Å; K166-G168 VanDerWaalsContact C-N 3.34Å; K166-G168 PolarHBondContact O-N 3.43Å; G168-R172 WeakPolarHBondContact O-CB 3.15Å; G168-R172 PolarHBondContact O-N 3.43Å
169T87.1Confident83.2Confident26 Ų2656.1 Ų56.116%0.1632%0.318CS..Hα-helixtrans-72.4-45.5175.2-69.10000112.4V156 E165 K166 E167 L171 R172 I173V156-T169 HydrophobicContact CB-CG2 4.36Å; V156-T169 HydrophobicContact CG1-CG2 3.96Å; V156-T169 HydrophobicContact CG2-CG2 3.64Å; E165-T169 VanDerWaalsContact O-CB 3.27Å; E165-T169 WeakPolarHBondContact O-CB 3.32Å; E165-T169 PolarHBondContact O-N 3.08Å; E165-T169 PolarHBondContact O-OG1 3.29Å; K166-T169 PolarHBondContact O-N 2.88Å; K166-T169 VanDerWaalsContact O-N 3.1Å; E167-T169 VanDerWaalsContact C-N 3.29Å; E167-T169 PolarHBondContact O-N 2.63Å; T169-L171 VanDerWaalsContact C-N 3.33Å; T169-L171 PolarHBondContact O-N 3.12Å; T169-R172 VanDerWaalsContact CG2-NH2 3.34Å; T169-R172 WeakPolarHBondContact O-CB 3.19Å; T169-R172 PolarHBondContact O-N 2.95Å; T169-R172 PolarHBondContact OG1-NH1 3.36Å; T169-I173 HydrophobicContact CG2-CD1 3.78Å; T169-I173 HydrophobicContact CG2-CG1 4.47Å; T169-I173 WeakPolarHBondContact O-CD1 3.38Å; T169-I173 VanDerWaalsContact O-CG1 3.29Å; T169-I173 WeakPolarHBondContact O-CG1 3.42Å; T169-I173 PolarHBondContact O-N 3.14Å
170V88.6Confident83.8Confident0 Ų051.6 Ų51.60%030%0.297CS..Hα-helixtrans-57.8-46.5175.4171.80000110.6F93 V97 L101 L153 V156 L157 K166 E167 R172 I173 C174F93-V170 HydrophobicContact CE1-CG1 3.56Å; F93-V170 HydrophobicContact CZ-CG1 3.85Å; V97-V170 HydrophobicContact CB-CG1 4.41Å; V97-V170 HydrophobicContact CG1-CB 4.33Å; V97-V170 HydrophobicContact CG1-CG1 3.82Å; V97-V170 HydrophobicContact CG2-CG1 3.97Å; L101-V170 HydrophobicContact CD2-CG2 4.32Å; L153-V170 HydrophobicContact CD1-CB 4.22Å; L153-V170 HydrophobicContact CD1-CG1 3.71Å; L153-V170 HydrophobicContact CD1-CG2 3.96Å; V156-V170 HydrophobicContact CG1-CG2 3.9Å; L157-V170 HydrophobicContact CD2-CG2 4.15Å; L157-V170 HydrophobicContact CG-CG2 4.48Å; K166-V170 WeakPolarHBondContact O-CG2 3.42Å; K166-V170 PolarHBondContact O-N 3.45Å; E167-V170 PolarHBondContact O-N 2.85Å; V170-R172 PolarHBondContact O-N 3.47Å; V170-I173 PolarHBondContact O-N 3.4Å; V170-C174 PolarHBondContact O-N 3.39Å; V170-C174 PolarHBondContact O-SG 2.78Å
171L89.3Confident85Confident44 Ų4444 Ų4423%0.2326%0.256CS..Hα-helixtrans-66.4-35.2178.4-67.2175.7000112.6Q94 V97 E167 T169 S175Q94-L171 HydrophobicContact CB-CD2 4.19Å; Q94-L171 HydrophobicContact CG-CD2 4Å; V97-L171 HydrophobicContact CG1-CD2 4.47Å; E167-L171 HydrophobicContact CG-CD1 4.04Å; E167-L171 HydrophobicContact CG-CG 4.4Å; E167-L171 WeakPolarHBondContact O-CB 3.42Å; E167-L171 VanDerWaalsContact O-CG 3.27Å; E167-L171 WeakPolarHBondContact O-CG 3.28Å; E167-L171 PolarHBondContact O-N 3.35Å; T169-L171 VanDerWaalsContact C-N 3.33Å; T169-L171 PolarHBondContact O-N 3.12Å; L171-S175 WeakPolarHBondContact O-CB 3.2Å; L171-S175 PolarHBondContact O-N 2.95Å; L171-S175 PolarHBondContact O-OG 2.93Å
172R91.5Very high86Confident131 Ų13146.7 Ų46.749%0.49426%0.257SS..Hα-helixtrans-58.8-51.6170.8176.7-17674.8-121.710.2111.1E152 G168 T169 V170 C174 S175 H176E152-R172 IonicContact OE1-CZ 3.7Å; E152-R172 IonicContact OE1-NH2 2.66Å; E152-R172 PolarHBondContact OE1-NH2 3.06Å; G168-R172 WeakPolarHBondContact O-CB 3.15Å; G168-R172 PolarHBondContact O-N 3.43Å; T169-R172 VanDerWaalsContact CG2-NH2 3.34Å; T169-R172 WeakPolarHBondContact O-CB 3.19Å; T169-R172 PolarHBondContact O-N 2.95Å; T169-R172 PolarHBondContact OG1-NH1 3.36Å; V170-R172 PolarHBondContact O-N 3.47Å; R172-C174 PolarHBondContact O-N 2.7Å; R172-S175 WeakPolarHBondContact O-CB 3.47Å; R172-S175 PolarHBondContact O-N 2.75Å; R172-H176 PolarHBondContact O-N 3.01Å
173I91.9Very high86.6Confident1 Ų148.4 Ų48.41%0.00526%0.263CS..Hα-helixtrans-61.1-47.4-177.9-66.1161.4000110.6L149 E152 L153 T169 V170 S175 H176 V177L149-I173 HydrophobicContact CB-CG2 3.97Å; L149-I173 HydrophobicContact CD2-CG2 4.06Å; L149-I173 VanDerWaalsContact O-CG2 3.31Å; L149-I173 WeakPolarHBondContact O-CG2 3.32Å; E152-I173 HydrophobicContact CB-CD1 4.04Å; E152-I173 HydrophobicContact CG-CD1 3.69Å; E152-I173 HydrophobicContact CG-CG1 4.36Å; L153-I173 HydrophobicContact CB-CD1 4.32Å; L153-I173 HydrophobicContact CB-CG2 4.08Å; T169-I173 HydrophobicContact CG2-CD1 3.78Å; T169-I173 HydrophobicContact CG2-CG1 4.47Å; T169-I173 WeakPolarHBondContact O-CD1 3.38Å; T169-I173 VanDerWaalsContact O-CG1 3.29Å; T169-I173 WeakPolarHBondContact O-CG1 3.42Å; T169-I173 PolarHBondContact O-N 3.14Å; V170-I173 PolarHBondContact O-N 3.4Å; I173-S175 VanDerWaalsContact C-N 3.3Å; I173-S175 PolarHBondContact O-N 3.12Å; I173-H176 WeakPolarHBondContact O-CB 3.45Å; I173-H176 PolarHBondContact O-N 2.81Å; I173-V177 PolarHBondContact O-N 2.94Å
174C92.2Very high87.2Confident2 Ų247.8 Ų47.81%0.01426%0.256CS..Hα-helixtrans-61.7-38.4177.5-62.40000112.2T90 F93 Q94 V170 R172 H176 V177 A178T90-C174 HydrophobicContact CG2-CB 3.8Å; T90-C174 VanDerWaalsContact CG2-O 3.24Å; T90-C174 WeakPolarHBondContact CG2-O 3.27Å; F93-C174 WeakPolarHBondContact CD1-SG 3.32Å; F93-C174 WeakPolarHBondContact CE1-SG 3.42Å; Q94-C174 HydrophobicContact CG-CB 3.46Å; Q94-C174 VanDerWaalsContact CG-CB 3.46Å; Q94-C174 VanDerWaalsContact NE2-CB 3.35Å; V170-C174 PolarHBondContact O-N 3.39Å; V170-C174 PolarHBondContact O-SG 2.78Å; R172-C174 PolarHBondContact O-N 2.7Å; C174-H176 VanDerWaalsContact C-N 3.26Å; C174-H176 PolarHBondContact O-N 3.49Å; C174-V177 PolarHBondContact O-N 2.85Å; C174-A178 VanDerWaalsContact O-CB 3.27Å; C174-A178 WeakPolarHBondContact O-CB 3.44Å; C174-A178 PolarHBondContact O-N 2.98Å
175S92.4Very high88.1Confident69 Ų6944.1 Ų44.148%0.48324%0.237SC..Hα-helixtrans-64.2-33174.8-56.80000112L171 R172 I173 G179L171-S175 WeakPolarHBondContact O-CB 3.2Å; L171-S175 PolarHBondContact O-N 2.95Å; L171-S175 PolarHBondContact O-OG 2.93Å; R172-S175 WeakPolarHBondContact O-CB 3.47Å; R172-S175 PolarHBondContact O-N 2.75Å; I173-S175 VanDerWaalsContact C-N 3.3Å; I173-S175 PolarHBondContact O-N 3.12Å; S175-G179 PolarHBondContact O-N 2.98Å
176H92.1Very high88.3Confident91 Ų9143.4 Ų43.442%0.42124%0.241SC..Hα-helixtrans-72.9-47.9176.5-161.8-167.1000111.8E145 L149 R172 I173 C174 A178 G179 I180E145-H176 IonicContact OE2-NE2 3.86Å; L149-H176 HydrophobicContact CD1-CB 4.02Å; L149-H176 WeakPolarHBondContact CD1-ND1 3.17Å; L149-H176 HydrophobicContact CD2-CB 4.21Å; R172-H176 PolarHBondContact O-N 3.01Å; I173-H176 WeakPolarHBondContact O-CB 3.45Å; I173-H176 PolarHBondContact O-N 2.81Å; C174-H176 VanDerWaalsContact C-N 3.26Å; C174-H176 PolarHBondContact O-N 3.49Å; H176-A178 VanDerWaalsContact C-N 3.32Å; H176-A178 PolarHBondContact O-N 3.22Å; H176-G179 WeakPolarHBondContact O-CA 3.22Å; H176-G179 PolarHBondContact O-N 2.91Å; H176-I180 WeakPolarHBondContact O-CG1 3.32Å; H176-I180 PolarHBondContact O-N 3.32Å
177V91.4Very high88.2Confident2 Ų246 Ų461%0.01226%0.264CS..Hα-helixtrans-56.9-45.2173.9175.20000111L86 L149 I173 C174 G179 I180 C181L86-V177 HydrophobicContact CD1-CG1 4.17Å; L86-V177 HydrophobicContact CD2-CG1 4.1Å; L86-V177 HydrophobicContact CG-CG1 4.14Å; L149-V177 HydrophobicContact CB-CG2 4.02Å; L149-V177 HydrophobicContact CD1-CG2 3.93Å; I173-V177 PolarHBondContact O-N 2.94Å; C174-V177 PolarHBondContact O-N 2.85Å; V177-G179 VanDerWaalsContact C-N 3.33Å; V177-G179 PolarHBondContact O-N 3.1Å; V177-I180 PolarHBondContact O-N 3.14Å; V177-C181 PolarHBondContact O-N 2.84Å; V177-C181 PolarHBondContact O-SG 3.14Å
178A92.4Very high87.8Confident14 Ų1445.3 Ų45.312%0.11626%0.262CS..Hα-helixtrans-61.7-38.8174.700000112.4L87 T90 C174 H176 C181 H182L87-A178 HydrophobicContact CD1-CB 3.71Å; T90-A178 HydrophobicContact CG2-CB 4.14Å; C174-A178 VanDerWaalsContact O-CB 3.27Å; C174-A178 WeakPolarHBondContact O-CB 3.44Å; C174-A178 PolarHBondContact O-N 2.98Å; H176-A178 VanDerWaalsContact C-N 3.32Å; H176-A178 PolarHBondContact O-N 3.22Å; A178-C181 PolarHBondContact O-N 2.96Å; A178-H182 PolarHBondContact O-N 3.05Å; A178-H182 PolarHBondContact O-ND1 3.17Å
179G89Confident87.5Confident27 Ų2746.4 Ų46.428%0.27826%0.262SS..Hα-helixtrans-61.4-44.8174.400000112.7S175 H176 V177 C181 H182 N183S175-G179 PolarHBondContact O-N 2.98Å; H176-G179 WeakPolarHBondContact O-CA 3.22Å; H176-G179 PolarHBondContact O-N 2.91Å; V177-G179 VanDerWaalsContact C-N 3.33Å; V177-G179 PolarHBondContact O-N 3.1Å; G179-C181 VanDerWaalsContact C-N 3.34Å; G179-C181 PolarHBondContact O-N 3.38Å; G179-H182 PolarHBondContact O-N 3.37Å; G179-N183 VanDerWaalsContact O-CG 3.3Å; G179-N183 PolarHBondContact O-N 3.47Å
180I87.1Confident87.2Confident6 Ų650.9 Ų50.93%0.03128%0.279CS..Hα-helixtrans-61.8-42.8175.4-62.3167.5000110.7A142 E145 I146 L149 H176 V177 H182 N183 I184A142-I180 HydrophobicContact CB-CG2 3.67Å; E145-I180 HydrophobicContact CB-CD1 3.86Å; I146-I180 HydrophobicContact CD1-CB 4.42Å; I146-I180 HydrophobicContact CD1-CG2 3.68Å; I146-I180 HydrophobicContact CG1-CB 4.38Å; I146-I180 HydrophobicContact CG1-CD1 3.96Å; I146-I180 HydrophobicContact CG1-CG2 4Å; L149-I180 HydrophobicContact CD1-CD1 3.85Å; H176-I180 WeakPolarHBondContact O-CG1 3.32Å; H176-I180 PolarHBondContact O-N 3.32Å; V177-I180 PolarHBondContact O-N 3.14Å; I180-H182 PolarHBondContact O-N 3.28Å; I180-N183 WeakPolarHBondContact O-CB 3.41Å; I180-N183 PolarHBondContact O-N 2.87Å; I180-I184 HydrophobicContact CG2-CD1 4.16Å; I180-I184 WeakPolarHBondContact O-CG1 3.5Å; I180-I184 PolarHBondContact O-N 3.36Å
181C89.4Confident86.7Confident0 Ų056.8 Ų56.80%031%0.307CS..Hα-helixtrans-60-43.5175.7-64.10000112.4T83 L87 V177 A178 G179 I184 L185T83-C181 HydrophobicContact CG2-CB 3.71Å; T83-C181 VanDerWaalsContact CG2-O 3.29Å; T83-C181 WeakPolarHBondContact CG2-O 3.31Å; L87-C181 HydrophobicContact CB-CB 4.16Å; L87-C181 HydrophobicContact CD1-CB 4.36Å; V177-C181 PolarHBondContact O-N 2.84Å; V177-C181 PolarHBondContact O-SG 3.14Å; A178-C181 PolarHBondContact O-N 2.96Å; G179-C181 VanDerWaalsContact C-N 3.34Å; G179-C181 PolarHBondContact O-N 3.38Å; C181-I184 PolarHBondContact O-N 3.15Å; C181-L185 WeakPolarHBondContact O-CG 3.41Å; C181-L185 PolarHBondContact O-N 3.01Å
182H89.7Confident86.1Confident99 Ų9956.1 Ų56.146%0.45830%0.303SS..Hα-helixtrans-64.3-39.4175.2-75.387.8000112A178 G179 I180 I184 L185 V186A178-H182 PolarHBondContact O-N 3.05Å; A178-H182 PolarHBondContact O-ND1 3.17Å; G179-H182 PolarHBondContact O-N 3.37Å; I180-H182 PolarHBondContact O-N 3.28Å; H182-I184 PolarHBondContact O-N 3.09Å; H182-L185 PolarHBondContact O-N 2.93Å; H182-V186 WeakPolarHBondContact O-CB 3.39Å; H182-V186 VanDerWaalsContact O-CG2 3.28Å; H182-V186 WeakPolarHBondContact O-CG2 3.19Å; H182-V186 PolarHBondContact O-N 3.14Å
183N84.8Confident85.6Confident102 Ų10250.5 Ų50.555%0.54528%0.283SS..Hα-helixtrans-61.7-42.7176.2-69.4-18.8000111.5G179 I180 V186 C187G179-N183 VanDerWaalsContact O-CG 3.3Å; G179-N183 PolarHBondContact O-N 3.47Å; I180-N183 WeakPolarHBondContact O-CB 3.41Å; I180-N183 PolarHBondContact O-N 2.87Å; N183-V186 PolarHBondContact O-N 3.37Å; N183-C187 WeakPolarHBondContact O-CB 3.35Å; N183-C187 PolarHBondContact O-N 3.24Å; N183-C187 PolarHBondContact O-SG 2.86Å
184I83.8Confident85.3Confident11 Ų1154.4 Ų54.46%0.05630%0.301CS..Hα-helixtrans-60.2-48.9174.4-67.7166.5000110.5L79 T83 L125 L129 I180 C181 H182 V186 C188 L193L79-I184 HydrophobicContact CD1-CG2 4.18Å; L79-I184 HydrophobicContact CD2-CG2 4.04Å; L79-I184 HydrophobicContact CG-CG2 4.09Å; T83-I184 HydrophobicContact CG2-CB 4.05Å; T83-I184 HydrophobicContact CG2-CG2 4.02Å; L125-I184 HydrophobicContact CD2-CD1 4.35Å; L129-I184 HydrophobicContact CD1-CD1 4.34Å; I180-I184 HydrophobicContact CG2-CD1 4.16Å; I180-I184 WeakPolarHBondContact O-CG1 3.5Å; I180-I184 PolarHBondContact O-N 3.36Å; C181-I184 PolarHBondContact O-N 3.15Å; H182-I184 PolarHBondContact O-N 3.09Å; I184-V186 VanDerWaalsContact C-N 3.27Å; I184-V186 PolarHBondContact O-N 3.4Å; I184-C188 VanDerWaalsContact O-CB 3.25Å; I184-C188 WeakPolarHBondContact O-CB 3.37Å; I184-C188 PolarHBondContact O-N 2.89Å; I184-C188 VanDerWaalsContact O-N 3.17Å; I184-C188 PolarHBondContact O-SG 2.59Å; I184-C188 VanDerWaalsContact O-SG 3.37Å; I184-L193 HydrophobicContact CG2-CD2 4.37Å
185L86.6Confident84.7Confident45 Ų4557 Ų5724%0.23631%0.313CS..Hα-helixtrans-66.4-22.3-179.2-68.8172.7000114.5K80 T83 E84 L87 C181 H182 L193K80-L185 HydrophobicContact CB-CD2 4.33Å; K80-L185 HydrophobicContact CG-CD2 4Å; T83-L185 HydrophobicContact CG2-CD1 4.16Å; T83-L185 HydrophobicContact CG2-CD2 4.14Å; T83-L185 HydrophobicContact CG2-CG 3.74Å; E84-L185 HydrophobicContact CG-CD1 4.23Å; E84-L185 HydrophobicContact CG-CD2 4.25Å; L87-L185 HydrophobicContact CD2-CD1 4.44Å; C181-L185 WeakPolarHBondContact O-CG 3.41Å; C181-L185 PolarHBondContact O-N 3.01Å; H182-L185 PolarHBondContact O-N 2.93Å; L185-L193 HydrophobicContact CD2-CD2 4.24Å
186V83.8Confident84.2Confident116 Ų11660 Ų6070%0.70331%0.314SS*.Hα-helixtrans-99.3-35.7-178.3171.90000112.8H182 N183 I184H182-V186 WeakPolarHBondContact O-CB 3.39Å; H182-V186 VanDerWaalsContact O-CG2 3.28Å; H182-V186 WeakPolarHBondContact O-CG2 3.19Å; H182-V186 PolarHBondContact O-N 3.14Å; N183-V186 PolarHBondContact O-N 3.37Å; I184-V186 VanDerWaalsContact C-N 3.27Å; I184-V186 PolarHBondContact O-N 3.4Å
187C78.5Confident83.5Confident102 Ų10256 Ų5669%0.68930%0.297SS*.Hα-helixtrans-96.9-22.5-172.4-62.30000114.1N183N183-C187 WeakPolarHBondContact O-CB 3.35Å; N183-C187 PolarHBondContact O-N 3.24Å; N183-C187 PolarHBondContact O-SG 2.86Å
188C76.9Confident82.9Confident20 Ų2060.3 Ų60.314%0.13532%0.318CS..SBendtrans-76.2142.1177.3-67.90000111.6L79 I184 L193L79-C188 HydrophobicContact CD2-CB 4.46Å; I184-C188 VanDerWaalsContact O-CB 3.25Å; I184-C188 WeakPolarHBondContact O-CB 3.37Å; I184-C188 PolarHBondContact O-N 2.89Å; I184-C188 VanDerWaalsContact O-N 3.17Å; I184-C188 PolarHBondContact O-SG 2.59Å; I184-C188 VanDerWaalsContact O-SG 3.37Å; C188-L193 HydrophobicContact CB-CD1 4.09Å; C188-L193 HydrophobicContact CB-CD2 3.89Å; C188-L193 HydrophobicContact CB-CG 3.67Å; C188-L193 WeakPolarHBondContact O-CD1 3.47Å
189P79.3Confident82.4Confident67 Ų6761.8 Ų61.844%0.43532%0.324SS..  trans-56142.5171.7-2534.6000111.9E191 L192 L193P189-E191 PolarHBondContact O-N 3.4Å; P189-L192 HydrophobicContact CB-CB 4.39Å; P189-L192 PolarHBondContact O-N 3.2Å; P189-L193 PolarHBondContact O-N 3.37Å
190K80.1Confident82.1Confident119 Ų11963.2 Ų63.252%0.51732%0.323SS..Hα-helixtrans-60.3-35.5-177.7-173.6176.6-176.3-78.70111.7L192 L193 E194K190-L192 VanDerWaalsContact C-N 3.3Å; K190-L192 PolarHBondContact O-N 3.44Å; K190-L193 PolarHBondContact O-N 2.78Å; K190-E194 VanDerWaalsContact CE-OE1 3.22Å; K190-E194 WeakPolarHBondContact CE-OE1 3.31Å; K190-E194 HydrophobicContact CG-CG 4.46Å; K190-E194 IonicContact NZ-OE1 2.75Å; K190-E194 PolarHBondContact NZ-OE1 2.82Å; K190-E194 VanDerWaalsContact NZ-OE1 3.12Å; K190-E194 IonicContact NZ-OE2 3.37Å; K190-E194 PolarHBondContact NZ-OE2 3.25Å; K190-E194 PolarHBondContact O-N 3.46Å
191E78.3Confident81.9Confident124 Ų12467.5 Ų67.558%0.57934%0.343SS*.Hα-helixtrans-60.2-41.4178.4-61.964.3-140.600110.6P189 Q195P189-E191 PolarHBondContact O-N 3.4Å; E191-Q195 WeakPolarHBondContact O-CB 3.26Å; E191-Q195 PolarHBondContact O-N 2.96Å
192L77.5Confident81.6Confident30 Ų3067.6 Ų67.616%0.15734%0.343CS..Hα-helixtrans-79.6-37.5178.4-169.2157000111.5L79 Y132 L137 P189 K190 Q195L79-L192 HydrophobicContact CD2-CD2 3.41Å; L79-L192 VanDerWaalsContact CD2-CD2 3.41Å; Y132-L192 HydrophobicContact CE2-CD1 3.83Å; L137-L192 HydrophobicContact CD1-CD1 4.14Å; P189-L192 HydrophobicContact CB-CB 4.39Å; P189-L192 PolarHBondContact O-N 3.2Å; K190-L192 VanDerWaalsContact C-N 3.3Å; K190-L192 PolarHBondContact O-N 3.44Å; L192-Q195 PolarHBondContact O-N 3.14Å
193L80.4Confident81.3Confident13 Ų1369.5 Ų69.57%0.06835%0.352CS..Hα-helixtrans-60.5-44.3175.6-82171.9000112.9N78 L79 K80 I184 L185 C188 P189 K190N78-L193 PolarHBondContact OD1-O 2.91Å; L79-L193 HydrophobicContact CD2-CD2 4.08Å; L79-L193 HydrophobicContact CG-CD2 4.12Å; L79-L193 PolarHBondContact N-O 3.28Å; K80-L193 HydrophobicContact CB-CB 4.16Å; K80-L193 HydrophobicContact CB-CD2 4.23Å; K80-L193 VanDerWaalsContact CB-O 3.23Å; K80-L193 WeakPolarHBondContact CB-O 3.22Å; K80-L193 PolarHBondContact N-O 3.29Å; I184-L193 HydrophobicContact CG2-CD2 4.37Å; L185-L193 HydrophobicContact CD2-CD2 4.24Å; C188-L193 HydrophobicContact CB-CD1 4.09Å; C188-L193 HydrophobicContact CB-CD2 3.89Å; C188-L193 HydrophobicContact CB-CG 3.67Å; C188-L193 WeakPolarHBondContact O-CD1 3.47Å; P189-L193 PolarHBondContact O-N 3.37Å; K190-L193 PolarHBondContact O-N 2.78Å
194E84.9Confident80.9Confident84 Ų8465.2 Ų65.239%0.39333%0.329SS..SBendtrans-91.2-2.9-178.6-64.2-178175.400113.2K80 K190 R196K80-E194 HydrophobicContact CD-CG 4.25Å; K80-E194 IonicContact NZ-OE1 2.97Å; K190-E194 VanDerWaalsContact CE-OE1 3.22Å; K190-E194 WeakPolarHBondContact CE-OE1 3.31Å; K190-E194 HydrophobicContact CG-CG 4.46Å; K190-E194 IonicContact NZ-OE1 2.75Å; K190-E194 PolarHBondContact NZ-OE1 2.82Å; K190-E194 VanDerWaalsContact NZ-OE1 3.12Å; K190-E194 IonicContact NZ-OE2 3.37Å; K190-E194 PolarHBondContact NZ-OE2 3.25Å; K190-E194 PolarHBondContact O-N 3.46Å; E194-R196 PolarHBondContact O-N 3.15Å
195Q79.8Confident80.2Confident56 Ų5671.5 Ų71.526%0.26236%0.363SS..PPolyproline II helixtrans-65.7131.2179.4-172.166.7-50.300111.5N78 W128 E191 L192 I284 P285N78-Q195 WeakPolarHBondContact CA-O 3.47Å; N78-Q195 WeakPolarHBondContact CB-O 3.26Å; W128-Q195 WeakPolarHBondContact CZ2-O 3.42Å; E191-Q195 WeakPolarHBondContact O-CB 3.26Å; E191-Q195 PolarHBondContact O-N 2.96Å; L192-Q195 PolarHBondContact O-N 3.14Å; Q195-I284 HydrophobicContact CG-CG2 3.96Å; Q195-P285 PolarHBondContact NE2-O 3.37Å
196R82.2Confident79.3Confident132 Ų13270.6 Ų70.650%0.49836%0.361SS..BIsolated β-bridgetrans-100.2154176.8-62.6-178-176.4175.6-3.4110.8Q75 N78 E194Q75-R196 PolarHBondContact O-NH1 3.01Å; N78-R196 HydrophobicContact CB-CG 4.26Å; E194-R196 PolarHBondContact O-N 3.15Å
197A78.3Confident78.5Confident7 Ų766.1 Ų66.16%0.05833%0.334CS..PPolyproline II helixtrans-75.1134.2173.600000110L74 W128 K282 K283 I284L74-A197 HydrophobicContact CD2-CB 4.45Å; W128-A197 HydrophobicContact CH2-CB 3.77Å; W128-A197 HydrophobicContact CZ3-CB 3.94Å; A197-K282 HydrophobicContact CB-CD 4.25Å; A197-K282 VanDerWaalsContact CB-CE 3.49Å; A197-K282 HydrophobicContact CB-CG 3.75Å; A197-K283 CarbonylContact C-O 3.39Å; A197-K283 WeakPolarHBondContact CA-O 3.44Å; A197-I284 HydrophobicContact CB-CG1 4.14Å
198M77.9Confident77.7Confident92 Ų9268.3 Ų68.345%0.45334%0.338SS..EExtended strand (participates in β ladder)trans-103.2154.4172.661.3167.74900111.1K282 K283 P285M198-K282 WeakPolarHBondContact O-CA 3.29Å; M198-K283 PolarHBondContact N-O 3.06Å; M198-K283 PolarHBondContact O-N 3.35Å; M198-P285 HydrophobicContact CE-CG 3.65Å; M198-P285 HydrophobicContact CG-CG 3.78Å; M198-P285 HydrophobicContact SD-CG 3.75Å
199L82.7Confident77.2Confident46 Ų4669.2 Ų69.224%0.24134%0.342CS..EExtended strand (participates in β ladder)trans-93.8121.2165.5-68.4-173.6000109.3M1 L74 V244 V280 L281 K282M1-L199 HydrophobicContact CB-CD1 3.7Å; M1-L199 HydrophobicContact CE-CD1 4.19Å; M1-L199 HydrophobicContact SD-CD1 4.25Å; L74-L199 HydrophobicContact CD1-CD1 3.5Å; L74-L199 HydrophobicContact CD1-CD2 3.99Å; L74-L199 HydrophobicContact CD1-CG 3.56Å; L74-L199 HydrophobicContact CD2-CD2 3.98Å; L74-L199 HydrophobicContact CD2-CG 3.96Å; L74-L199 HydrophobicContact CG-CG 4.44Å; L199-V244 HydrophobicContact CD2-CB 4.28Å; L199-V244 HydrophobicContact CD2-CG1 4.12Å; L199-V244 HydrophobicContact CD2-CG2 4.31Å; L199-V280 HydrophobicContact CB-CG1 3.79Å; L199-V280 HydrophobicContact CD1-CG1 4.28Å; L199-V280 HydrophobicContact CD2-CG1 4.18Å; L199-V280 HydrophobicContact CG-CG1 4.3Å; L199-L281 WeakPolarHBondContact CA-O 3.09Å; L199-K282 HydrophobicContact CD2-CB 3.93Å; L199-K282 HydrophobicContact CD2-CG 4.46Å
200E82.1Confident77Confident57 Ų5767.1 Ų67.127%0.26633%0.326SS..EExtended strand (participates in β ladder)trans-116.7136.1175.7-157.2-170.5133.900110.1Q236 V280 L281 K283E200-Q236 WeakPolarHBondContact OE1-CG 3.38Å; E200-Q236 PolarHBondContact OE1-NE2 3.12Å; E200-V280 CarbonylContact O-C 3.6Å; E200-V280 WeakPolarHBondContact O-CA 3.4Å; E200-L281 PolarHBondContact N-O 3.42Å; E200-L281 PolarHBondContact O-N 2.85Å; E200-K283 HydrophobicContact CB-CD 4.36Å; E200-K283 IonicContact OE1-NZ 3.79Å; E200-K283 PolarHBondContact OE1-NZ 3.26Å; E200-K283 WeakPolarHBondContact OE2-CD 3.25Å; E200-K283 WeakPolarHBondContact OE2-CE 3.37Å; E200-K283 IonicContact OE2-NZ 3.06Å; E200-K283 PolarHBondContact OE2-NZ 3.29Å
201Q83.4Confident76.9Confident96 Ų9667 Ų6745%0.44933%0.328SS..EExtended strand (participates in β ladder)trans-97.6127.4178.2-174.8171.31.400109.8S278 L279 V280Q201-S278 PolarHBondContact NE2-OG 2.95Å; Q201-L279 CarbonylContact C-O 3.59Å; Q201-L279 WeakPolarHBondContact CA-O 3.43Å; Q201-V280 HydrophobicContact CB-CG2 4.18Å; Q201-V280 HydrophobicContact CG-CG2 4.15Å
202V83.6Confident76.9Confident1 Ų161.8 Ų61.81%0.00630%0.304CS..EExtended strand (participates in β ladder)trans-122136.4180-171.70000108.7L204 Q236 I237 L279 L281V202-L204 HydrophobicContact CG1-CD2 4.32Å; V202-L204 HydrophobicContact CG1-CG 4.45Å; V202-Q236 HydrophobicContact CG1-CG 4.42Å; V202-Q236 HydrophobicContact CG2-CG 3.89Å; V202-I237 HydrophobicContact CB-CD1 4.26Å; V202-I237 HydrophobicContact CB-CG1 4.41Å; V202-I237 HydrophobicContact CG1-CD1 3.82Å; V202-I237 HydrophobicContact CG1-CG1 3.96Å; V202-I237 HydrophobicContact CG2-CD1 4.5Å; V202-I237 HydrophobicContact CG2-CG1 4.16Å; V202-L279 PolarHBondContact N-O 2.81Å; V202-L279 PolarHBondContact O-N 3.28Å; V202-L281 HydrophobicContact CG2-CD1 4.07Å
203Q83.3Confident76.8Confident140 Ų14065.7 Ų65.765%0.65432%0.321SS*.EExtended strand (participates in β ladder)trans-103.8142.6170.7-68.5-177.64000109.5L277Q203-L277 CarbonylContact C-O 2.94Å; Q203-L277 WeakPolarHBondContact CA-O 3.23Å
204L75.5Confident76.3Confident11 Ų1166.6 Ų66.66%0.05833%0.327CS..EExtended strand (participates in β ladder)trans-132.4138.4-177.2-64.6167.7000110V202 S206 L210 I237 L277 L279V202-L204 HydrophobicContact CG1-CD2 4.32Å; V202-L204 HydrophobicContact CG1-CG 4.45Å; L204-S206 VanDerWaalsContact C-N 3.27Å; L204-S206 PolarHBondContact O-N 3.46Å; L204-L210 HydrophobicContact CD1-CD1 3.49Å; L204-L210 VanDerWaalsContact CD1-CD1 3.49Å; L204-L210 HydrophobicContact CD1-CG 4.14Å; L204-I237 HydrophobicContact CD1-CD1 3.99Å; L204-I237 HydrophobicContact CD2-CD1 3.99Å; L204-I237 HydrophobicContact CG-CD1 4.39Å; L204-L277 HydrophobicContact CB-CB 4.21Å; L204-L277 HydrophobicContact CB-CD2 4.18Å; L204-L277 HydrophobicContact CB-CG 4.35Å; L204-L277 HydrophobicContact CD1-CD2 3.93Å; L204-L277 HydrophobicContact CD1-CG 4.46Å; L204-L277 PolarHBondContact N-O 3.19Å; L204-L277 PolarHBondContact O-N 3.38Å; L204-L277 VanDerWaalsContact O-N 3.1Å; L204-L279 HydrophobicContact CD1-CD1 3.7Å; L204-L279 HydrophobicContact CD1-CG 4.15Å
205D69Low75.3Confident143 Ų14364 Ų6477%0.76532%0.317SS*.SBendtrans-75.7-17.3178.3-68.5-44.2000112.7
206S68.3Low74.1Confident27 Ų2766.6 Ų66.619%0.18934%0.341CS..  trans-154.6141.7-176.5155.40000112.2L204 L208 D209L204-S206 VanDerWaalsContact C-N 3.27Å; L204-S206 PolarHBondContact O-N 3.46Å; S206-L208 VanDerWaalsContact C-N 3.31Å; S206-L208 WeakPolarHBondContact OG-CB 3.14Å; S206-L208 PolarHBondContact OG-N 2.83Å; S206-D209 WeakPolarHBondContact CB-OD1 3.23Å; S206-D209 PolarHBondContact OG-OD1 2.74Å
207P66.2Low72.9Confident22 Ų2263.4 Ų63.414%0.14333%0.334CS..G310 helixtrans-79.7-7.6171.533-35.9000113.9D209 L270 L271 P274 L277P207-D209 PolarHBondContact O-N 2.87Å; P207-L270 HydrophobicContact CB-CB 4.3Å; P207-L271 HydrophobicContact CB-CD2 4.46Å; P207-L271 HydrophobicContact CG-CD2 3.99Å; P207-P274 HydrophobicContact CG-CB 3.89Å; P207-L277 HydrophobicContact CB-CD2 3.99Å
208L62.9Low72.4Confident147 Ų14764.1 Ų64.177%0.7734%0.338SS*.G310 helixtrans-78.5-11.4179.6-61.6171.6000112.7S206 L210S206-L208 VanDerWaalsContact C-N 3.31Å; S206-L208 WeakPolarHBondContact OG-CB 3.14Å; S206-L208 PolarHBondContact OG-N 2.83Å; L208-L210 VanDerWaalsContact C-N 3.28Å; L208-L210 PolarHBondContact O-N 2.92Å
209D66.1Low72Confident40 Ų4060 Ų6021%0.21432%0.318CS..G310 helixtrans-85.6-5.7-168.2-57.913.5000112.2S206 P207 D226 V229S206-D209 WeakPolarHBondContact CB-OD1 3.23Å; S206-D209 PolarHBondContact OG-OD1 2.74Å; P207-D209 PolarHBondContact O-N 2.87Å; D209-D226 PolarHBondContact O-N 2.79Å; D209-V229 HydrophobicContact CB-CG2 3.74Å
210L74.4Confident71.8Confident22 Ų2258 Ų5812%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-130.8137.2-179.8-65.9-178.2000111.6L204 L208 I212 V222 V225 I237 L279L204-L210 HydrophobicContact CD1-CD1 3.49Å; L204-L210 VanDerWaalsContact CD1-CD1 3.49Å; L204-L210 HydrophobicContact CD1-CG 4.14Å; L208-L210 VanDerWaalsContact C-N 3.28Å; L208-L210 PolarHBondContact O-N 2.92Å; L210-I212 HydrophobicContact CB-CG1 4.49Å; L210-V222 HydrophobicContact CD2-CG1 4.09Å; L210-V225 HydrophobicContact CD2-CB 4.18Å; L210-V225 HydrophobicContact CD2-CG1 4.01Å; L210-V225 HydrophobicContact CD2-CG2 3.73Å; L210-I237 HydrophobicContact CD1-CD1 3.93Å; L210-I237 HydrophobicContact CD2-CD1 4.14Å; L210-I237 HydrophobicContact CD2-CG2 4.02Å; L210-L279 HydrophobicContact CD1-CD1 3.52Å
211E78.1Confident71.5Confident116 Ų11656.3 Ų56.354%0.54230%0.299SS..EExtended strand (participates in β ladder)trans-97.9133.2158.8-164.2-168-128.700109.6V222 S223 Q224E211-V222 WeakPolarHBondContact O-CA 3.35Å; E211-S223 WeakPolarHBondContact CB-OG 3.43Å; E211-S223 WeakPolarHBondContact CG-OG 3.39Å; E211-S223 PolarHBondContact O-N 2.84Å; E211-S223 PolarHBondContact O-OG 2.76Å; E211-S223 WeakPolarHBondContact OE2-CB 3.25Å; E211-S223 PolarHBondContact OE2-OG 2.69Å; E211-Q224 HydrophobicContact CB-CB 4.14Å; E211-Q224 PolarHBondContact N-O 2.7Å
212I78.9Confident71.3Confident15 Ų1551.8 Ų51.88%0.07728%0.278CS..EExtended strand (participates in β ladder)trans-123.4104.7179.9-61.5161.1000109.9L210 H220 F221 V222 V243 M266 L270L210-I212 HydrophobicContact CB-CG1 4.49Å; I212-H220 HydrophobicContact CG2-CB 3.88Å; I212-F221 CarbonylContact C-O 3.23Å; I212-F221 WeakPolarHBondContact CA-O 3.49Å; I212-V222 HydrophobicContact CG1-CG2 4.45Å; I212-V243 HydrophobicContact CD1-CG2 4.11Å; I212-V243 HydrophobicContact CG1-CG2 4.35Å; I212-V243 HydrophobicContact CG2-CG2 4.17Å; I212-M266 HydrophobicContact CB-CE 4.18Å; I212-M266 HydrophobicContact CB-SD 3.91Å; I212-M266 HydrophobicContact CD1-SD 4.36Å; I212-M266 HydrophobicContact CG2-CE 4.29Å; I212-M266 HydrophobicContact CG2-SD 3.4Å; I212-M266 WeakPolarHBondContact CG2-SD 3.28Å; I212-L270 HydrophobicContact CD1-CD1 3.84Å; I212-L270 HydrophobicContact CD1-CD2 4.3Å
213H74.2Confident70.7Confident113 Ų11353.9 Ų53.952%0.52329%0.293SS..EExtended strand (participates in β ladder)trans-65.9142.8170.1-17486.5000110.5H220 F221H213-H220 WeakPolarHBondContact O-CA 3.42Å; H213-F221 PolarHBondContact N-O 2.97Å; H213-F221 PolarHBondContact O-N 2.86Å
214T71.2Confident69.9Low31 Ų3152.7 Ų52.719%0.1929%0.287CS..EExtended strand (participates in β ladder)trans-127120.1177.4-56.50000109.6Q219 H220 H263T214-Q219 WeakPolarHBondContact CA-O 3.44Å; T214-H220 VanDerWaalsContact CG2-CE1 3.41Å; T214-H220 WeakPolarHBondContact CG2-CE1 3.5Å; T214-H220 WeakPolarHBondContact CG2-ND1 3.36Å; T214-H220 PolarHBondContact OG1-ND1 2.95Å; T214-H263 HydrophobicContact CG2-CB 4.12Å; T214-H263 PolarHBondContact OG1-ND1 2.66Å
215T62.8Low69.5Low31 Ų3153.3 Ų53.319%0.1929%0.292CS..  trans-74.3169.1-177.670.70000112.1N217 C218 Q219 F221T215-N217 PolarHBondContact O-N 2.86Å; T215-N217 VanDerWaalsContact O-N 3.09Å; T215-N217 PolarHBondContact OG1-N 2.98Å; T215-C218 PolarHBondContact O-N 3.48Å; T215-C218 VanDerWaalsContact O-N 3.15Å; T215-Q219 HydrophobicContact CG2-CB 4.42Å; T215-Q219 PolarHBondContact N-O 3.03Å; T215-Q219 WeakPolarHBondContact OG1-CB 3.41Å; T215-Q219 PolarHBondContact OG1-N 2.8Å; T215-F221 HydrophobicContact CG2-CD2 4Å; T215-F221 HydrophobicContact CG2-CE2 3.77Å
216S54.8Low69.1Low109 Ų10949.8 Ų49.876%0.76227%0.273SS*.THydrogen-bonded Turntrans-53.4-26.8171.8490000114
217N57.9Low68.1Low65 Ų6554 Ų5435%0.34830%0.297SS..THydrogen-bonded Turntrans-101.826.8-175.1-57.638.6000111.4T215 Q219 E254T215-N217 PolarHBondContact O-N 2.86Å; T215-N217 VanDerWaalsContact O-N 3.09Å; T215-N217 PolarHBondContact OG1-N 2.98Å; N217-Q219 PolarHBondContact O-N 3.19Å; N217-Q219 VanDerWaalsContact O-N 3.1Å; N217-E254 HydrophobicContact CB-CB 4.41Å; N217-E254 VanDerWaalsContact O-CB 3.32Å; N217-E254 WeakPolarHBondContact O-CB 3.32Å; N217-E254 PolarHBondContact O-N 2.9Å
218C66.5Low67.3Low22 Ų2260.8 Ų60.815%0.14933%0.327CS..SBendtrans51.239.6177.5-59.70000113.7T215 W261T215-C218 PolarHBondContact O-N 3.48Å; T215-C218 VanDerWaalsContact O-N 3.15Å; C218-W261 VanDerWaalsContact CB-O 3.32Å; C218-W261 WeakPolarHBondContact CB-O 3.39Å
219Q70.3Confident66.6Low7 Ų754.3 Ų54.33%0.03329%0.294CS..  trans-102.2137.5168.7-60.5175.23.600108.6T214 T215 N217 F221 R253T214-Q219 WeakPolarHBondContact CA-O 3.44Å; T215-Q219 HydrophobicContact CG2-CB 4.42Å; T215-Q219 PolarHBondContact N-O 3.03Å; T215-Q219 WeakPolarHBondContact OG1-CB 3.41Å; T215-Q219 PolarHBondContact OG1-N 2.8Å; N217-Q219 PolarHBondContact O-N 3.19Å; N217-Q219 VanDerWaalsContact O-N 3.1Å; Q219-F221 HydrophobicContact CB-CD2 4.39Å; Q219-F221 HydrophobicContact CB-CE2 3.55Å; Q219-F221 HydrophobicContact CB-CZ 4.05Å; Q219-R253 HydrophobicContact CG-CB 4.33Å
220H77.8Confident65.9Low3 Ų356.1 Ų56.11%0.01431%0.308CS..EExtended strand (participates in β ladder)trans-116.9121.8-170.6-55.7-91.8000110I212 H213 T214 E242 V243 V251 W261 M266I212-H220 HydrophobicContact CG2-CB 3.88Å; H213-H220 WeakPolarHBondContact O-CA 3.42Å; T214-H220 VanDerWaalsContact CG2-CE1 3.41Å; T214-H220 WeakPolarHBondContact CG2-CE1 3.5Å; T214-H220 WeakPolarHBondContact CG2-ND1 3.36Å; T214-H220 PolarHBondContact OG1-ND1 2.95Å; H220-E242 CarbonylContact O-C 3.53Å; H220-E242 WeakPolarHBondContact O-CA 3.22Å; H220-V243 HydrophobicContact CB-CB 4.12Å; H220-V243 PolarHBondContact O-N 2.91Å; H220-V251 WeakPolarHBondContact CD2-CG1 3.33Å; H220-W261 PolarHBondContact CE1-O 3.03Å; H220-W261 VanDerWaalsContact CE1-O 3.22Å; H220-W261 PolarHBondContact NE2-O 3.46Å; H220-M266 HydrophobicContact CB-SD 4.25Å; H220-M266 PolarHBondContact ND1-SD 2.81Å
221F76.9Confident64.6Low21 Ų2159.9 Ų59.99%0.09233%0.332CS..EExtended strand (participates in β ladder)trans-127.7138.6-176.8-60-87.4000109.9R131 I212 H213 T215 Q219 S223 D241 E242R131-F221 HydrophobicContact CG-CD1 4.49Å; R131-F221 HydrophobicContact CG-CE1 4.04Å; I212-F221 CarbonylContact C-O 3.23Å; I212-F221 WeakPolarHBondContact CA-O 3.49Å; H213-F221 PolarHBondContact N-O 2.97Å; H213-F221 PolarHBondContact O-N 2.86Å; T215-F221 HydrophobicContact CG2-CD2 4Å; T215-F221 HydrophobicContact CG2-CE2 3.77Å; Q219-F221 HydrophobicContact CB-CD2 4.39Å; Q219-F221 HydrophobicContact CB-CE2 3.55Å; Q219-F221 HydrophobicContact CB-CZ 4.05Å; F221-S223 PolarHBondContact O-N 3.16Å; F221-D241 CarbonylContact C-O 3.48Å; F221-D241 WeakPolarHBondContact CA-O 3.33Å; F221-E242 HydrophobicContact CD1-CB 3.78Å; F221-E242 HydrophobicContact CD1-CG 3.98Å; F221-E242 HydrophobicContact CE1-CB 3.76Å; F221-E242 HydrophobicContact CE1-CG 3.69Å; F221-E242 HydrophobicContact CZ-CG 4.22Å
222V77.9Confident63.3Low2 Ų260.7 Ų60.71%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-63.9120.6169.5179.50000108.2L210 E211 I212 V225 I237 P239 G240 D241 V243L210-V222 HydrophobicContact CD2-CG1 4.09Å; E211-V222 WeakPolarHBondContact O-CA 3.35Å; I212-V222 HydrophobicContact CG1-CG2 4.45Å; V222-V225 HydrophobicContact CG1-CG2 3.87Å; V222-I237 HydrophobicContact CB-CG2 4.35Å; V222-I237 HydrophobicContact CG1-CG2 4.02Å; V222-I237 HydrophobicContact CG2-CG2 3.88Å; V222-P239 CarbonylContact O-C 3.03Å; V222-P239 WeakPolarHBondContact O-CA 3.45Å; V222-G240 PolarHBondContact O-N 3.42Å; V222-D241 HydrophobicContact CG2-CB 4.34Å; V222-D241 PolarHBondContact N-O 2.79Å; V222-V243 HydrophobicContact CG2-CG2 4.42Å
223S71.3Confident61.9Low44 Ų4461.5 Ų61.531%0.30835%0.346SS..EExtended strand (participates in β ladder)trans-93.1-39.3175.140.40000111.5E211 F221E211-S223 WeakPolarHBondContact CB-OG 3.43Å; E211-S223 WeakPolarHBondContact CG-OG 3.39Å; E211-S223 PolarHBondContact O-N 2.84Å; E211-S223 PolarHBondContact O-OG 2.76Å; E211-S223 WeakPolarHBondContact OE2-CB 3.25Å; E211-S223 PolarHBondContact OE2-OG 2.69Å; F221-S223 PolarHBondContact O-N 3.16Å
224Q66.9Low60.7Low115 Ų11559.2 Ų59.254%0.53734%0.336SS..EExtended strand (participates in β ladder)trans-145.4146.5179-172.6170.5-19.500111.1E211E211-Q224 HydrophobicContact CB-CB 4.14Å; E211-Q224 PolarHBondContact N-O 2.7Å
225V67.2Low59.9Low25 Ų2563.8 Ų63.815%0.15236%0.359CS..EExtended strand (participates in β ladder)trans-114134.7168.4-174.10000106.8L210 V222 V229 Q234 I237L210-V225 HydrophobicContact CD2-CB 4.18Å; L210-V225 HydrophobicContact CD2-CG1 4.01Å; L210-V225 HydrophobicContact CD2-CG2 3.73Å; V222-V225 HydrophobicContact CG1-CG2 3.87Å; V225-V229 HydrophobicContact CG1-CB 4.44Å; V225-V229 HydrophobicContact CG1-CG2 4.12Å; V225-Q234 HydrophobicContact CG1-CG 4.46Å; V225-I237 HydrophobicContact CG2-CB 4.28Å; V225-I237 HydrophobicContact CG2-CG2 3.95Å
226D59.8Low59.9Low69 Ų6965.1 Ų65.137%0.36936%0.363SS..  trans-72.6142.9-179.7-160.5-8.6000111.9D209 Q228 V229 Q234D209-D226 PolarHBondContact O-N 2.79Å; D226-Q228 PolarHBondContact O-N 3.09Å; D226-V229 WeakPolarHBondContact O-CB 3.49Å; D226-V229 VanDerWaalsContact O-CG2 3.28Å; D226-V229 WeakPolarHBondContact O-CG2 3.45Å; D226-V229 PolarHBondContact O-N 2.89Å; D226-Q234 PolarHBondContact O-NE2 3.44Å
227T48.4Very low60.9Low115 Ų11560.1 Ų60.171%0.70633%0.328SS*.THydrogen-bonded Turntrans-60.9-17.4176.256.70000114.3V229 Q234T227-V229 VanDerWaalsContact C-N 3.33Å; T227-Q234 PolarHBondContact O-NE2 3Å
228Q49.2Very low61.5Low164 Ų16461.8 Ų61.877%0.76633%0.333SS*.THydrogen-bonded Turntrans-75.5-16.5175.6-63.3-71.3-17.500114D226D226-Q228 PolarHBondContact O-N 3.09Å
229V48.6Very low61.7Low11 Ų1163 Ų637%0.06734%0.341CS..SBendtrans-65.1139.3-175.6174.20000111.1D209 V225 D226 T227 Q234D209-V229 HydrophobicContact CB-CG2 3.74Å; V225-V229 HydrophobicContact CG1-CB 4.44Å; V225-V229 HydrophobicContact CG1-CG2 4.12Å; D226-V229 WeakPolarHBondContact O-CB 3.49Å; D226-V229 VanDerWaalsContact O-CG2 3.28Å; D226-V229 WeakPolarHBondContact O-CG2 3.45Å; D226-V229 PolarHBondContact O-N 2.89Å; T227-V229 VanDerWaalsContact C-N 3.33Å; V229-Q234 HydrophobicContact CB-CG 3.75Å; V229-Q234 HydrophobicContact CG1-CG 3.82Å; V229-Q234 VanDerWaalsContact O-CD 3.23Å; V229-Q234 PolarHBondContact O-NE2 2.93Å; V229-Q234 VanDerWaalsContact O-NE2 3.17Å
230P50.8Low61.6Low78 Ų7863.1 Ų63.151%0.50634%0.344SS..  trans-54141.8175.2-27.435.8000112.9D232 S233 Q234P230-D232 PolarHBondContact O-N 3.17Å; P230-D232 VanDerWaalsContact O-N 3.12Å; P230-S233 PolarHBondContact O-N 3.44Å; P230-Q234 PolarHBondContact O-N 2.92Å
231T46.3Very low61.5Low101 Ų10163.6 Ų63.662%0.6235%0.347SS*.Hα-helixtrans-58.6-32.6-169.3-44.50000113.6S233 Q234 L235T231-S233 VanDerWaalsContact C-N 3.32Å; T231-S233 PolarHBondContact O-N 3.19Å; T231-Q234 PolarHBondContact O-N 3.14Å; T231-L235 WeakPolarHBondContact O-CG 3.2Å; T231-L235 PolarHBondContact O-N 2.9Å; T231-L235 VanDerWaalsContact O-N 3.12Å
232D51.8Low61.7Low134 Ų13462.7 Ų62.772%0.71734%0.342SS*.Hα-helixtrans-64.6-33.3175.6-66-35000112.8P230 Q236P230-D232 PolarHBondContact O-N 3.17Å; P230-D232 VanDerWaalsContact O-N 3.12Å; D232-Q236 PolarHBondContact O-N 3.21Å
233S49.1Very low62Low31 Ų3162.7 Ų62.722%0.21734%0.343CS..Hα-helixtrans-84.9-28179.7-58.60000112.8P230 T231 Q236 I237P230-S233 PolarHBondContact O-N 3.44Å; T231-S233 VanDerWaalsContact C-N 3.32Å; T231-S233 PolarHBondContact O-N 3.19Å; S233-Q236 WeakPolarHBondContact O-CA 3.4Å; S233-Q236 WeakPolarHBondContact O-CB 3.46Å; S233-Q236 PolarHBondContact O-N 3.5Å; S233-I237 PolarHBondContact O-N 3.4Å
234Q49.7Very low62.4Low66 Ų6660.6 Ų60.631%0.30833%0.328SS..Hα-helixtrans-70-31.1169.9-71.4177.5-17.700112.6V225 D226 T227 V229 P230 T231 Q236V225-Q234 HydrophobicContact CG1-CG 4.46Å; D226-Q234 PolarHBondContact O-NE2 3.44Å; T227-Q234 PolarHBondContact O-NE2 3Å; V229-Q234 HydrophobicContact CB-CG 3.75Å; V229-Q234 HydrophobicContact CG1-CG 3.82Å; V229-Q234 VanDerWaalsContact O-CD 3.23Å; V229-Q234 PolarHBondContact O-NE2 2.93Å; V229-Q234 VanDerWaalsContact O-NE2 3.17Å; P230-Q234 PolarHBondContact O-N 2.92Å; T231-Q234 PolarHBondContact O-N 3.14Å; Q234-Q236 PolarHBondContact O-N 2.99Å
235L53.9Low63.2Low126 Ų12655.2 Ų55.266%0.6630%0.303SS*.THydrogen-bonded Turntrans-66.8-22.4167.3-72.8167.4000112T231T231-L235 WeakPolarHBondContact O-CG 3.2Å; T231-L235 PolarHBondContact O-N 2.9Å; T231-L235 VanDerWaalsContact O-N 3.12Å
236Q63.7Low64Low59 Ų5954 Ų5428%0.27630%0.296SS..THydrogen-bonded Turntrans-85.1-55.3-178.1-146.21728.300112.3E200 V202 D232 S233 Q234 K283E200-Q236 WeakPolarHBondContact OE1-CG 3.38Å; E200-Q236 PolarHBondContact OE1-NE2 3.12Å; V202-Q236 HydrophobicContact CG1-CG 4.42Å; V202-Q236 HydrophobicContact CG2-CG 3.89Å; D232-Q236 PolarHBondContact O-N 3.21Å; S233-Q236 WeakPolarHBondContact O-CA 3.4Å; S233-Q236 WeakPolarHBondContact O-CB 3.46Å; S233-Q236 PolarHBondContact O-N 3.5Å; Q234-Q236 PolarHBondContact O-N 2.99Å; Q236-K283 WeakPolarHBondContact O-CE 3.46Å; Q236-K283 PolarHBondContact O-NZ 3.01Å
237I74.1Confident64.9Low5 Ų552.2 Ų52.23%0.02629%0.286CS..  trans-98.1130.6-175.3-53.9-173.1000111.5V202 L204 L210 V222 V225 S233 L281V202-I237 HydrophobicContact CB-CD1 4.26Å; V202-I237 HydrophobicContact CB-CG1 4.41Å; V202-I237 HydrophobicContact CG1-CD1 3.82Å; V202-I237 HydrophobicContact CG1-CG1 3.96Å; V202-I237 HydrophobicContact CG2-CD1 4.5Å; V202-I237 HydrophobicContact CG2-CG1 4.16Å; L204-I237 HydrophobicContact CD1-CD1 3.99Å; L204-I237 HydrophobicContact CD2-CD1 3.99Å; L204-I237 HydrophobicContact CG-CD1 4.39Å; L210-I237 HydrophobicContact CD1-CD1 3.93Å; L210-I237 HydrophobicContact CD2-CD1 4.14Å; L210-I237 HydrophobicContact CD2-CG2 4.02Å; V222-I237 HydrophobicContact CB-CG2 4.35Å; V222-I237 HydrophobicContact CG1-CG2 4.02Å; V222-I237 HydrophobicContact CG2-CG2 3.88Å; V225-I237 HydrophobicContact CG2-CB 4.28Å; V225-I237 HydrophobicContact CG2-CG2 3.95Å; S233-I237 PolarHBondContact O-N 3.4Å; I237-L281 HydrophobicContact CB-CD1 4.31Å; I237-L281 HydrophobicContact CD1-CD1 4.04Å; I237-L281 HydrophobicContact CG1-CD1 3.76Å; I237-L281 HydrophobicContact CG2-CD1 3.95Å
238Q70.9Confident66.1Low99 Ų9950.3 Ų50.346%0.46327%0.269SS..  trans-120.2148.8177.4-61.9-169.51.200113.1G240 D241Q238-G240 PolarHBondContact O-N 2.77Å; Q238-D241 PolarHBondContact N-OD2 2.93Å; Q238-D241 VanDerWaalsContact O-CB 3.25Å; Q238-D241 WeakPolarHBondContact O-CB 3.1Å; Q238-D241 PolarHBondContact O-N 3.21Å
239P70.1Confident67.4Low48 Ų4842.6 Ų42.631%0.31223%0.233SC..THydrogen-bonded Turntrans-54.1128.9167.7-26.836.4000111.8F134 V222F134-P239 HydrophobicContact CD2-CB 4.06Å; F134-P239 HydrophobicContact CE2-CB 4.42Å; F134-P239 HydrophobicContact CG-CB 4.31Å; V222-P239 CarbonylContact O-C 3.03Å; V222-P239 WeakPolarHBondContact O-CA 3.45Å
240G69.1Low68.4Low9 Ų942.1 Ų42.19%0.09323%0.23CC..THydrogen-bonded Turntrans96.6-11-170.900000114.8R131 V222 Q238 E242R131-G240 WeakPolarHBondContact CG-O 3.41Å; V222-G240 PolarHBondContact O-N 3.42Å; Q238-G240 PolarHBondContact O-N 2.77Å; G240-E242 PolarHBondContact O-N 2.92Å
241D76.5Confident69.3Low14 Ų1438.6 Ų38.68%0.07521%0.207CC..PPolyproline II helixtrans-61.1131.9170.3-86.3-22.3000110.7F221 V222 Q238 L281 K283F221-D241 CarbonylContact C-O 3.48Å; F221-D241 WeakPolarHBondContact CA-O 3.33Å; V222-D241 HydrophobicContact CG2-CB 4.34Å; V222-D241 PolarHBondContact N-O 2.79Å; Q238-D241 PolarHBondContact N-OD2 2.93Å; Q238-D241 VanDerWaalsContact O-CB 3.25Å; Q238-D241 WeakPolarHBondContact O-CB 3.1Å; Q238-D241 PolarHBondContact O-N 3.21Å; D241-L281 HydrophobicContact CB-CB 4.43Å; D241-L281 HydrophobicContact CB-CD1 4.1Å; D241-K283 WeakPolarHBondContact OD1-CD 3.26Å; D241-K283 VanDerWaalsContact OD1-CG 3.24Å; D241-K283 WeakPolarHBondContact OD1-CG 3.4Å; D241-K283 WeakPolarHBondContact OD2-CE 3.32Å
242E80.8Confident69.9Low1 Ų134 Ų341%0.00518%0.179CC..EExtended strand (participates in β ladder)trans-98124.5-175.1-172.9-179.7-145.700111.6R131 H220 F221 G240 V244 R253 L281 K282R131-E242 IonicContact CZ-OE2 3.24Å; R131-E242 IonicContact NE-OE2 2.66Å; R131-E242 PolarHBondContact NE-OE2 3.4Å; R131-E242 IonicContact NH2-OE1 3.16Å; R131-E242 PolarHBondContact NH2-OE1 3.27Å; R131-E242 VanDerWaalsContact NH2-OE1 3.12Å; R131-E242 IonicContact NH2-OE2 2.7Å; R131-E242 PolarHBondContact NH2-OE2 2.96Å; H220-E242 CarbonylContact O-C 3.53Å; H220-E242 WeakPolarHBondContact O-CA 3.22Å; F221-E242 HydrophobicContact CD1-CB 3.78Å; F221-E242 HydrophobicContact CD1-CG 3.98Å; F221-E242 HydrophobicContact CE1-CB 3.76Å; F221-E242 HydrophobicContact CE1-CG 3.69Å; F221-E242 HydrophobicContact CZ-CG 4.22Å; G240-E242 PolarHBondContact O-N 2.92Å; E242-V244 PolarHBondContact O-N 3.23Å; E242-R253 IonicContact OE1-CZ 2.63Å; E242-R253 IonicContact OE1-NE 2.72Å; E242-R253 IonicContact OE1-NH1 2.89Å; E242-R253 PolarHBondContact OE1-NH1 3.45Å; E242-R253 IonicContact OE1-NH2 3.35Å; E242-R253 PolarHBondContact OE1-NH2 3.26Å; E242-R253 IonicContact OE2-CZ 2.69Å; E242-R253 IonicContact OE2-NH1 3.12Å; E242-R253 PolarHBondContact OE2-NH1 3.29Å; E242-R253 IonicContact OE2-NH2 3.12Å; E242-R253 PolarHBondContact OE2-NH2 3.19Å; E242-L281 CarbonylContact O-C 3.47Å; E242-L281 WeakPolarHBondContact O-CA 3.37Å; E242-K282 HydrophobicContact CB-CB 4.44Å; E242-K282 PolarHBondContact O-N 2.98Å
243V83.1Confident70.4Confident3 Ų328.4 Ų28.42%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-76.8118-179-171.70000110I212 H220 V222 I246 V251 L279 L281I212-V243 HydrophobicContact CD1-CG2 4.11Å; I212-V243 HydrophobicContact CG1-CG2 4.35Å; I212-V243 HydrophobicContact CG2-CG2 4.17Å; H220-V243 HydrophobicContact CB-CB 4.12Å; H220-V243 PolarHBondContact O-N 2.91Å; V222-V243 HydrophobicContact CG2-CG2 4.42Å; V243-I246 HydrophobicContact CG1-CD1 4.09Å; V243-I246 HydrophobicContact CG1-CG1 3.72Å; V243-V251 HydrophobicContact CG1-CG2 4.41Å; V243-L279 HydrophobicContact CG1-CD2 4.4Å; V243-L281 HydrophobicContact CB-CD2 4.38Å; V243-L281 HydrophobicContact CG2-CD2 3.91Å
244V80.9Confident70.6Confident0 Ų029.7 Ų29.70%015%0.151CC..EExtended strand (participates in β ladder)trans-111.8-23.5-178.1172.20000112.4M1 L70 L199 E242 V250 V251 R253 V280 K282M1-V244 HydrophobicContact CE-CG1 3.8Å; L70-V244 HydrophobicContact CD1-CG1 3.78Å; L70-V244 HydrophobicContact CD1-CG2 4.42Å; L70-V244 HydrophobicContact CD2-CG1 3.46Å; L70-V244 VanDerWaalsContact CD2-CG1 3.46Å; L70-V244 HydrophobicContact CG-CG1 4.26Å; L199-V244 HydrophobicContact CD2-CB 4.28Å; L199-V244 HydrophobicContact CD2-CG1 4.12Å; L199-V244 HydrophobicContact CD2-CG2 4.31Å; E242-V244 PolarHBondContact O-N 3.23Å; V244-V250 WeakPolarHBondContact O-CA 3.17Å; V244-V250 WeakPolarHBondContact O-CG1 3.38Å; V244-V251 PolarHBondContact O-N 2.77Å; V244-R253 VanDerWaalsContact CG2-NH2 3.26Å; V244-V280 PolarHBondContact N-O 3.29Å; V244-K282 HydrophobicContact CG2-CB 3.69Å
245Q83.6Confident70.6Confident1 Ų129.1 Ų29.11%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-147142.8177-154.9-169.1-89.600109.9M1 E248 Q249 V250 L279 V280M1-Q245 HydrophobicContact CE-CB 4.35Å; M1-Q245 HydrophobicContact CE-CG 4.48Å; Q245-E248 PolarHBondContact NE2-OE1 3.11Å; Q245-Q249 CarbonylContact C-O 3.52Å; Q245-Q249 VanDerWaalsContact CA-O 3.26Å; Q245-Q249 WeakPolarHBondContact CA-O 2.9Å; Q245-Q249 VanDerWaalsContact CG-O 3.26Å; Q245-Q249 WeakPolarHBondContact CG-O 3.42Å; Q245-V250 HydrophobicContact CG-CG2 4.28Å; Q245-L279 CarbonylContact O-C 3.48Å; Q245-L279 WeakPolarHBondContact O-CA 3.36Å; Q245-V280 HydrophobicContact CB-CB 3.57Å; Q245-V280 HydrophobicContact CB-CG2 3.74Å; Q245-V280 HydrophobicContact CG-CG2 4.36Å; Q245-V280 PolarHBondContact N-O 3.47Å; Q245-V280 VanDerWaalsContact N-O 3.13Å; Q245-V280 PolarHBondContact O-N 3.48Å
246I83.9Confident70.3Confident0 Ų030.9 Ų30.90%015%0.146CC..EExtended strand (participates in β ladder)trans-131122.4172.1-61164.8000106.6V243 E248 Q249 V251 W261 M266 E269 L270 L277 L279V243-I246 HydrophobicContact CG1-CD1 4.09Å; V243-I246 HydrophobicContact CG1-CG1 3.72Å; I246-E248 PolarHBondContact O-N 2.98Å; I246-Q249 PolarHBondContact N-O 3.07Å; I246-Q249 WeakPolarHBondContact O-CA 3.49Å; I246-Q249 VanDerWaalsContact O-CB 3.27Å; I246-Q249 WeakPolarHBondContact O-CB 3.5Å; I246-Q249 PolarHBondContact O-N 3.14Å; I246-V251 HydrophobicContact CB-CG2 4.44Å; I246-V251 HydrophobicContact CD1-CG2 3.74Å; I246-V251 HydrophobicContact CG1-CG2 3.84Å; I246-W261 HydrophobicContact CD1-CZ3 4.38Å; I246-M266 HydrophobicContact CD1-CB 4.4Å; I246-M266 HydrophobicContact CD1-CG 3.56Å; I246-E269 HydrophobicContact CG2-CB 3.98Å; I246-E269 HydrophobicContact CG2-CG 4.16Å; I246-L270 HydrophobicContact CD1-CD2 4.01Å; I246-L270 HydrophobicContact CD1-CG 4.17Å; I246-L270 HydrophobicContact CG1-CD2 4.16Å; I246-L270 HydrophobicContact CG2-CD2 3.89Å; I246-L270 HydrophobicContact CG2-CG 4.4Å; I246-L277 HydrophobicContact CG2-CD1 4.03Å; I246-L279 HydrophobicContact CB-CD2 4.31Å; I246-L279 HydrophobicContact CG1-CD2 3.78Å; I246-L279 HydrophobicContact CG2-CD2 4.31Å
247N78Confident69.4Low31 Ų3135.6 Ų35.617%0.16617%0.173CC..THydrogen-bonded Turntrans49.853.3173.4-63.9-25.2000113.3Q249 E269 S278N247-Q249 PolarHBondContact O-N 3.12Å; N247-E269 PolarHBondContact ND2-O 3.32Å; N247-S278 PolarHBondContact N-O 2.82Å; N247-S278 PolarHBondContact OD1-N 3.42Å
248E73.9Confident68Low75 Ų7536.7 Ų36.735%0.3518%0.18SC..THydrogen-bonded Turntrans61.4-4.2-173.2-66-64.299.500117.1K11 Q245 I246K11-E248 WeakPolarHBondContact CE-OE2 3.46Å; K11-E248 IonicContact NZ-OE2 3.68Å; K11-E248 PolarHBondContact NZ-OE2 2.87Å; Q245-E248 PolarHBondContact NE2-OE1 3.11Å; I246-E248 PolarHBondContact O-N 2.98Å
249Q75.9Confident67.1Low2 Ų236.1 Ų36.11%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-85.4119.9172.4-17858.749.600111.1T14 W15 Q245 I246 N247 V251 W261 E269T14-Q249 PolarHBondContact O-OE1 3.2Å; T14-Q249 VanDerWaalsContact O-OE1 3.07Å; W15-Q249 VanDerWaalsContact CA-OE1 3.26Å; W15-Q249 VanDerWaalsContact CD1-NE2 3.31Å; W15-Q249 PolarHBondContact O-NE2 3.41Å; W15-Q249 VanDerWaalsContact O-NE2 3.09Å; W15-Q249 PolarHBondContact O-OE1 3.05Å; Q245-Q249 CarbonylContact C-O 3.52Å; Q245-Q249 VanDerWaalsContact CA-O 3.26Å; Q245-Q249 WeakPolarHBondContact CA-O 2.9Å; Q245-Q249 VanDerWaalsContact CG-O 3.26Å; Q245-Q249 WeakPolarHBondContact CG-O 3.42Å; I246-Q249 PolarHBondContact N-O 3.07Å; I246-Q249 WeakPolarHBondContact O-CA 3.49Å; I246-Q249 VanDerWaalsContact O-CB 3.27Å; I246-Q249 WeakPolarHBondContact O-CB 3.5Å; I246-Q249 PolarHBondContact O-N 3.14Å; N247-Q249 PolarHBondContact O-N 3.12Å; Q249-V251 PolarHBondContact O-N 3.29Å; Q249-W261 HydrophobicContact CB-CH2 4.28Å; Q249-W261 HydrophobicContact CG-CH2 3.39Å; Q249-W261 HydrophobicContact CG-CZ2 3.33Å; Q249-W261 HydrophobicContact CG-CZ3 4.42Å; Q249-E269 HydrophobicContact CB-CG 4.37Å
250V70.9Confident66.6Low1 Ų133.9 Ų33.91%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-71128.2173.2-177.30000109.7M1 W7 L67 L70 V244 Q245M1-V250 HydrophobicContact CE-CG1 4.25Å; M1-V250 HydrophobicContact CE-CG2 3.65Å; M1-V250 HydrophobicContact SD-CG2 4.27Å; W7-V250 HydrophobicContact CH2-CG2 3.67Å; W7-V250 HydrophobicContact CZ2-CG2 3.97Å; L67-V250 HydrophobicContact CD1-CB 4.33Å; L67-V250 HydrophobicContact CD1-CG1 4.06Å; L67-V250 HydrophobicContact CD1-CG2 4.1Å; L70-V250 HydrophobicContact CD2-CG1 4.08Å; V244-V250 WeakPolarHBondContact O-CA 3.17Å; V244-V250 WeakPolarHBondContact O-CG1 3.38Å; Q245-V250 HydrophobicContact CG-CG2 4.28Å
251V69.1Low66.6Low5 Ų533.5 Ų33.53%0.0316%0.164CC..PPolyproline II helixtrans-86.2118.2176.3-175.50000108H220 V243 V244 I246 Q249 W261H220-V251 WeakPolarHBondContact CD2-CG1 3.33Å; V243-V251 HydrophobicContact CG1-CG2 4.41Å; V244-V251 PolarHBondContact O-N 2.77Å; I246-V251 HydrophobicContact CB-CG2 4.44Å; I246-V251 HydrophobicContact CD1-CG2 3.74Å; I246-V251 HydrophobicContact CG1-CG2 3.84Å; Q249-V251 PolarHBondContact O-N 3.29Å; V251-W261 HydrophobicContact CB-CE3 4.36Å; V251-W261 HydrophobicContact CG1-CB 3.98Å; V251-W261 HydrophobicContact CG1-CD2 4.33Å; V251-W261 HydrophobicContact CG1-CE3 3.98Å; V251-W261 HydrophobicContact CG1-CG 4.37Å; V251-W261 HydrophobicContact CG2-CE3 3.95Å; V251-W261 HydrophobicContact CG2-CZ3 4.13Å
252V59.1Low66.2Low5 Ų534.8 Ų34.83%0.0317%0.173CC..PPolyproline II helixtrans-99.4142.4-168.8-106.70000110.8L19 Q66 G260 W261L19-V252 HydrophobicContact CD2-CG2 3.89Å; Q66-V252 HydrophobicContact CB-CG1 3.84Å; Q66-V252 VanDerWaalsContact OE1-C 3.28Å; Q66-V252 VanDerWaalsContact OE1-CG1 3.25Å; V252-G260 CarbonylContact O-C 3.11Å; V252-G260 WeakPolarHBondContact O-CA 3.25Å; V252-W261 HydrophobicContact CG2-CG 4.33Å; V252-W261 PolarHBondContact O-N 2.76Å
253R62.1Low65.7Low16 Ų1639.2 Ų39.26%0.0619%0.193CC..  trans-116.8133.9-164.1-46.4172.6-171.4-148.9-9.5112Q66 Q219 E242 V244 E255Q66-R253 WeakPolarHBondContact CG-O 3.16Å; Q66-R253 PolarHBondContact NE2-O 3.31Å; Q66-R253 PolarHBondContact OE1-O 3.3Å; Q66-R253 VanDerWaalsContact OE1-O 3.05Å; Q219-R253 HydrophobicContact CG-CB 4.33Å; E242-R253 IonicContact OE1-CZ 2.63Å; E242-R253 IonicContact OE1-NE 2.72Å; E242-R253 IonicContact OE1-NH1 2.89Å; E242-R253 PolarHBondContact OE1-NH1 3.45Å; E242-R253 IonicContact OE1-NH2 3.35Å; E242-R253 PolarHBondContact OE1-NH2 3.26Å; E242-R253 IonicContact OE2-CZ 2.69Å; E242-R253 IonicContact OE2-NH1 3.12Å; E242-R253 PolarHBondContact OE2-NH1 3.29Å; E242-R253 IonicContact OE2-NH2 3.12Å; E242-R253 PolarHBondContact OE2-NH2 3.19Å; V244-R253 VanDerWaalsContact CG2-NH2 3.26Å; R253-E255 PolarHBondContact O-N 3.09Å
254E53.2Low65.2Low58 Ų5843.7 Ų43.727%0.27121%0.213SC..  trans-72.4103174.3-176.8165.5-142.700111.2N217 V258N217-E254 HydrophobicContact CB-CB 4.41Å; N217-E254 VanDerWaalsContact O-CB 3.32Å; N217-E254 WeakPolarHBondContact O-CB 3.32Å; N217-E254 PolarHBondContact O-N 2.9Å; E254-V258 WeakPolarHBondContact CA-O 3.19Å; E254-V258 WeakPolarHBondContact CB-O 3.37Å; E254-V258 WeakPolarHBondContact CG-O 3.26Å
255E49.5Very low64.9Low53 Ų5343.7 Ų43.725%0.24821%0.213CC..SBendtrans-112-24.2-176.9-158.6147.1-97.600113.1R73 R253R73-E255 IonicContact CZ-OE1 3.17Å; R73-E255 IonicContact CZ-OE2 3.12Å; R73-E255 IonicContact NE-OE2 2.78Å; R73-E255 IonicContact NH1-OE1 2.85Å; R73-E255 PolarHBondContact NH1-OE1 2.85Å; R73-E255 IonicContact NH1-OE2 3.49Å; R73-E255 PolarHBondContact NH1-OE2 2.72Å; R73-E255 IonicContact NH2-OE1 3.2Å; R73-E255 PolarHBondContact NH2-OE1 3.28Å; R73-E255 VanDerWaalsContact NH2-OE1 3.16Å; R253-E255 PolarHBondContact O-N 3.09Å
256R48.5Very low64.7Low164 Ų16443.8 Ų43.862%0.61921%0.213SC*.SBendtrans-155.585.4173.8-62.9-170.9179.5-142.2-8.8111.7H120 V258H120-R256 PolarHBondContact CD2-NH2 2.64Å; H120-R256 VanDerWaalsContact CD2-NH2 3.33Å; H120-R256 PolarHBondContact NE2-NH2 2.79Å; R256-V258 WeakPolarHBondContact O-CG2 3.47Å; R256-V258 PolarHBondContact O-N 3.04Å
257D43.5Very low64.4Low158 Ų15846.2 Ų46.285%0.84523%0.228SC*.SBendtrans51.718.5175.8-59.2-33.1000116.8
258V45.9Very low64.4Low28 Ų2849.1 Ų49.117%0.1724%0.237CC..SBendtrans-112.5127.3-178.9170.70000109.5Q66 E254 R256 G260Q66-V258 PolarHBondContact NE2-O 3.23Å; E254-V258 WeakPolarHBondContact CA-O 3.19Å; E254-V258 WeakPolarHBondContact CB-O 3.37Å; E254-V258 WeakPolarHBondContact CG-O 3.26Å; R256-V258 WeakPolarHBondContact O-CG2 3.47Å; R256-V258 PolarHBondContact O-N 3.04Å; V258-G260 PolarHBondContact O-N 3.31Å
259V51.5Low64.7Low86 Ų8646.1 Ų46.152%0.52122%0.222SC..  trans-45.4102.8176-176.60000111.9L59L59-V259 HydrophobicContact CD2-CB 3.73Å; L59-V259 HydrophobicContact CD2-CG1 3.92Å; L59-V259 HydrophobicContact CD2-CG2 3.87Å
260G59.4Low64.8Low1 Ų146.8 Ų46.81%0.0123%0.226CC..  trans-75.3179.4160.300000111.1V252 V258 P262V252-G260 CarbonylContact O-C 3.11Å; V252-G260 WeakPolarHBondContact O-CA 3.25Å; V258-G260 PolarHBondContact O-N 3.31Å; G260-P262 WeakPolarHBondContact O-CD 3.35Å
261W68.8Low65.2Low2 Ų251.6 Ų51.61%0.00825%0.251CS..  trans-71.5115.1-179.1-103.528.1000112G18 L19 C218 H220 I246 Q249 V251 V252 N265 M266 E269G18-W261 WeakPolarHBondContact O-CZ2 3.31Å; G18-W261 PolarHBondContact O-NE1 2.82Å; G18-W261 VanDerWaalsContact O-NE1 3.09Å; L19-W261 PolarHBondContact O-NE1 2.92Å; C218-W261 VanDerWaalsContact CB-O 3.32Å; C218-W261 WeakPolarHBondContact CB-O 3.39Å; H220-W261 PolarHBondContact CE1-O 3.03Å; H220-W261 VanDerWaalsContact CE1-O 3.22Å; H220-W261 PolarHBondContact NE2-O 3.46Å; I246-W261 HydrophobicContact CD1-CZ3 4.38Å; Q249-W261 HydrophobicContact CB-CH2 4.28Å; Q249-W261 HydrophobicContact CG-CH2 3.39Å; Q249-W261 HydrophobicContact CG-CZ2 3.33Å; Q249-W261 HydrophobicContact CG-CZ3 4.42Å; V251-W261 HydrophobicContact CB-CE3 4.36Å; V251-W261 HydrophobicContact CG1-CB 3.98Å; V251-W261 HydrophobicContact CG1-CD2 4.33Å; V251-W261 HydrophobicContact CG1-CE3 3.98Å; V251-W261 HydrophobicContact CG1-CG 4.37Å; V251-W261 HydrophobicContact CG2-CE3 3.95Å; V251-W261 HydrophobicContact CG2-CZ3 4.13Å; V252-W261 HydrophobicContact CG2-CG 4.33Å; V252-W261 PolarHBondContact O-N 2.76Å; W261-N265 HydrophobicContact CD2-CB 3.83Å; W261-N265 HydrophobicContact CE3-CB 4Å; W261-N265 HydrophobicContact CG-CB 4.14Å; W261-N265 HydrophobicContact CZ2-CB 4.44Å; W261-N265 HydrophobicContact CZ3-CB 4.38Å; W261-M266 HydrophobicContact CE3-CB 4.39Å; W261-E269 HydrophobicContact CH2-CB 3.87Å; W261-E269 HydrophobicContact CH2-CG 4.05Å; W261-E269 HydrophobicContact CZ3-CB 3.99Å
262P67.9Low65.6Low40 Ų4058.5 Ų58.526%0.2628%0.277SS..  trans-66.9149.3172.128-34.3000109.9G260 K264 N265G260-P262 WeakPolarHBondContact O-CD 3.35Å; P262-K264 HydrophobicContact CB-CG 4.01Å; P262-K264 HydrophobicContact CG-CD 4.33Å; P262-K264 HydrophobicContact CG-CG 3.88Å; P262-K264 PolarHBondContact O-N 3.49Å; P262-N265 HydrophobicContact CG-CB 4.47Å; P262-N265 WeakPolarHBondContact O-CB 3.48Å; P262-N265 PolarHBondContact O-N 3.46Å
263H71.2Confident66.1Low94 Ų9464 Ų6444%0.43530%0.302SS..Hα-helixtrans-46.9-34.9-179.5-173.981.2000113.9T214 N265 M266 V267T214-H263 HydrophobicContact CG2-CB 4.12Å; T214-H263 PolarHBondContact OG1-ND1 2.66Å; H263-N265 VanDerWaalsContact C-N 3.32Å; H263-N265 PolarHBondContact O-N 3.32Å; H263-M266 PolarHBondContact O-N 2.9Å; H263-V267 WeakPolarHBondContact NE2-CG2 3.45Å; H263-V267 WeakPolarHBondContact O-CG2 3.4Å; H263-V267 PolarHBondContact O-N 2.7Å
264K73.3Confident66.2Low98 Ų9866.3 Ų66.343%0.42632%0.319SS..Hα-helixtrans-57.5-34.9173.961.2120.5179143.80114.8D20 D21 P262 R268D20-K264 IonicContact OD2-NZ 2.75Å; D20-K264 PolarHBondContact OD2-NZ 3.24Å; D21-K264 IonicContact OD2-NZ 2.95Å; D21-K264 PolarHBondContact OD2-NZ 3.39Å; P262-K264 HydrophobicContact CB-CG 4.01Å; P262-K264 HydrophobicContact CG-CD 4.33Å; P262-K264 HydrophobicContact CG-CG 3.88Å; P262-K264 PolarHBondContact O-N 3.49Å; K264-R268 WeakPolarHBondContact O-CB 3.24Å; K264-R268 PolarHBondContact O-N 2.66Å
265N73.9Confident66.5Low0 Ų067.8 Ų67.80%034%0.342CS..Hα-helixtrans-75.5-41.9177.2-69.615.5000110.5L19 W261 P262 H263 R268 E269L19-N265 PolarHBondContact O-ND2 2.68Å; W261-N265 HydrophobicContact CD2-CB 3.83Å; W261-N265 HydrophobicContact CE3-CB 4Å; W261-N265 HydrophobicContact CG-CB 4.14Å; W261-N265 HydrophobicContact CZ2-CB 4.44Å; W261-N265 HydrophobicContact CZ3-CB 4.38Å; P262-N265 HydrophobicContact CG-CB 4.47Å; P262-N265 WeakPolarHBondContact O-CB 3.48Å; P262-N265 PolarHBondContact O-N 3.46Å; H263-N265 VanDerWaalsContact C-N 3.32Å; H263-N265 PolarHBondContact O-N 3.32Å; N265-R268 PolarHBondContact O-N 3.09Å; N265-E269 PolarHBondContact O-N 2.72Å; N265-E269 VanDerWaalsContact O-N 3.11Å
266M78.3Confident67.4Low3 Ų367.3 Ų67.32%0.01535%0.351CS..Hα-helixtrans-59.4-54.7176.1-175.9-145.971.300111.6I212 H220 I246 W261 H263 R268 E269 L270I212-M266 HydrophobicContact CB-CE 4.18Å; I212-M266 HydrophobicContact CB-SD 3.91Å; I212-M266 HydrophobicContact CD1-SD 4.36Å; I212-M266 HydrophobicContact CG2-CE 4.29Å; I212-M266 HydrophobicContact CG2-SD 3.4Å; I212-M266 WeakPolarHBondContact CG2-SD 3.28Å; H220-M266 HydrophobicContact CB-SD 4.25Å; H220-M266 PolarHBondContact ND1-SD 2.81Å; I246-M266 HydrophobicContact CD1-CB 4.4Å; I246-M266 HydrophobicContact CD1-CG 3.56Å; W261-M266 HydrophobicContact CE3-CB 4.39Å; H263-M266 PolarHBondContact O-N 2.9Å; M266-R268 VanDerWaalsContact C-N 3.26Å; M266-R268 PolarHBondContact O-N 3.24Å; M266-E269 PolarHBondContact O-N 3.16Å; M266-E269 VanDerWaalsContact O-N 3.12Å; M266-L270 HydrophobicContact CE-CD1 3.81Å; M266-L270 HydrophobicContact CG-CD1 4.3Å; M266-L270 WeakPolarHBondContact O-CG 3.27Å; M266-L270 PolarHBondContact O-N 2.99Å; M266-L270 HydrophobicContact SD-CD1 4.43Å
267V78.4Confident68.9Low51 Ų5159.6 Ų59.631%0.30932%0.322SS..Hα-helixtrans-57.5-40.2178.7174.20000111.5H263 E269 L271H263-V267 WeakPolarHBondContact NE2-CG2 3.45Å; H263-V267 WeakPolarHBondContact O-CG2 3.4Å; H263-V267 PolarHBondContact O-N 2.7Å; V267-E269 PolarHBondContact O-N 3.15Å; V267-L271 HydrophobicContact CG1-CD1 3.71Å; V267-L271 HydrophobicContact CG1-CG 4.36Å; V267-L271 WeakPolarHBondContact O-CB 3.42Å; V267-L271 VanDerWaalsContact O-CG 3.31Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 3.32Å; V267-L271 VanDerWaalsContact O-N 3.11Å
268R78.3Confident70.8Confident92 Ų9252.8 Ų52.835%0.34729%0.286SS..Hα-helixtrans-59.1-46.5176.1173.917767.2-155.19.2112.3D21 K264 N265 M266 L271 R272D21-R268 IonicContact OD1-CZ 3.82Å; D21-R268 IonicContact OD1-NH1 2.99Å; D21-R268 PolarHBondContact OD1-NH1 2.86Å; D21-R268 IonicContact OD1-NH2 3.89Å; D21-R268 PolarHBondContact OD1-NH2 2.89Å; D21-R268 VanDerWaalsContact OD1-NH2 3.14Å; D21-R268 IonicContact OD2-NH1 3.14Å; K264-R268 WeakPolarHBondContact O-CB 3.24Å; K264-R268 PolarHBondContact O-N 2.66Å; N265-R268 PolarHBondContact O-N 3.09Å; M266-R268 VanDerWaalsContact C-N 3.26Å; M266-R268 PolarHBondContact O-N 3.24Å; R268-L271 PolarHBondContact O-N 3.16Å; R268-R272 PolarHBondContact O-N 3.22Å; R268-R272 VanDerWaalsContact O-N 3.11Å
269E80.1Confident72.7Confident11 Ų1151.4 Ų51.45%0.05128%0.278CS..Hα-helixtrans-76.2-29.6-173.9-146.764.6-15900112.4I246 N247 Q249 W261 N265 M266 V267 R272I246-E269 HydrophobicContact CG2-CB 3.98Å; I246-E269 HydrophobicContact CG2-CG 4.16Å; N247-E269 PolarHBondContact ND2-O 3.32Å; Q249-E269 HydrophobicContact CB-CG 4.37Å; W261-E269 HydrophobicContact CH2-CB 3.87Å; W261-E269 HydrophobicContact CH2-CG 4.05Å; W261-E269 HydrophobicContact CZ3-CB 3.99Å; N265-E269 PolarHBondContact O-N 2.72Å; N265-E269 VanDerWaalsContact O-N 3.11Å; M266-E269 PolarHBondContact O-N 3.16Å; M266-E269 VanDerWaalsContact O-N 3.12Å; V267-E269 PolarHBondContact O-N 3.15Å; E269-R272 WeakPolarHBondContact O-CB 3.48Å; E269-R272 WeakPolarHBondContact OE1-CD 3.29Å; E269-R272 IonicContact OE1-CZ 3.07Å; E269-R272 IonicContact OE1-NE 3.39Å; E269-R272 IonicContact OE1-NH1 2.59Å; E269-R272 PolarHBondContact OE1-NH1 2.8Å; E269-R272 IonicContact OE2-NH1 3.56Å; E269-R272 PolarHBondContact OE2-NH1 3.25Å
270L79Confident74.3Confident16 Ų1647.3 Ų47.38%0.08425%0.253CS..Hα-helixtrans-62.6-43.1168.8-66.1172.8000112.1P207 I212 I246 M266 R272 L277 L279P207-L270 HydrophobicContact CB-CB 4.3Å; I212-L270 HydrophobicContact CD1-CD1 3.84Å; I212-L270 HydrophobicContact CD1-CD2 4.3Å; I246-L270 HydrophobicContact CD1-CD2 4.01Å; I246-L270 HydrophobicContact CD1-CG 4.17Å; I246-L270 HydrophobicContact CG1-CD2 4.16Å; I246-L270 HydrophobicContact CG2-CD2 3.89Å; I246-L270 HydrophobicContact CG2-CG 4.4Å; M266-L270 HydrophobicContact CE-CD1 3.81Å; M266-L270 HydrophobicContact CG-CD1 4.3Å; M266-L270 WeakPolarHBondContact O-CG 3.27Å; M266-L270 PolarHBondContact O-N 2.99Å; M266-L270 HydrophobicContact SD-CD1 4.43Å; L270-R272 VanDerWaalsContact C-N 3.33Å; L270-L277 HydrophobicContact CD2-CD1 3.91Å; L270-L277 HydrophobicContact CD2-CD2 4.08Å; L270-L279 HydrophobicContact CD2-CD2 3.94Å
271L78.3Confident75.4Confident103 Ų10347.3 Ų47.354%0.53925%0.253SS..THydrogen-bonded Turntrans-84.7-3.7-176.8-65.1177.9000114.1P207 V267 R268P207-L271 HydrophobicContact CB-CD2 4.46Å; P207-L271 HydrophobicContact CG-CD2 3.99Å; V267-L271 HydrophobicContact CG1-CD1 3.71Å; V267-L271 HydrophobicContact CG1-CG 4.36Å; V267-L271 WeakPolarHBondContact O-CB 3.42Å; V267-L271 VanDerWaalsContact O-CG 3.31Å; V267-L271 WeakPolarHBondContact O-CG 3.49Å; V267-L271 PolarHBondContact O-N 3.32Å; V267-L271 VanDerWaalsContact O-N 3.11Å; R268-L271 PolarHBondContact O-N 3.16Å
272R76.8Confident75.9Confident149 Ų14947.2 Ų47.256%0.56225%0.253SS*.THydrogen-bonded Turntrans-68.4-50.5-175.3-176.6-176.7-176.9144.3-2.4112.7R268 E269 L270R268-R272 PolarHBondContact O-N 3.22Å; R268-R272 VanDerWaalsContact O-N 3.11Å; E269-R272 WeakPolarHBondContact O-CB 3.48Å; E269-R272 WeakPolarHBondContact OE1-CD 3.29Å; E269-R272 IonicContact OE1-CZ 3.07Å; E269-R272 IonicContact OE1-NE 3.39Å; E269-R272 IonicContact OE1-NH1 2.59Å; E269-R272 PolarHBondContact OE1-NH1 2.8Å; E269-R272 IonicContact OE2-NH1 3.56Å; E269-R272 PolarHBondContact OE2-NH1 3.25Å; L270-R272 VanDerWaalsContact C-N 3.33Å
273E71Confident76.4Confident122 Ų12246.1 Ų46.157%0.5724%0.244SC*.SBendtrans-134.282.8-179.4-77.1173.2-137.200107.2A275E273-A275 VanDerWaalsContact C-N 3.3Å; E273-A275 PolarHBondContact O-N 2.69Å
274P62.7Low76.5Confident63 Ų6343.2 Ų43.241%0.40923%0.231SC..  trans-74.9-16.8-169.729-36.2000113.9P207P207-P274 HydrophobicContact CG-CB 3.89Å
275A61.3Low76Confident90 Ų9040.4 Ų40.474%0.74422%0.223SC*.THydrogen-bonded Turntrans-99.5105176.400000109.5E273E273-A275 VanDerWaalsContact C-N 3.3Å; E273-A275 PolarHBondContact O-N 2.69Å
276G67.3Low75.4Confident43 Ų4343.2 Ų43.244%0.44324%0.237SC..THydrogen-bonded Turntrans95.133.3-173.300000113.9S278G276-S278 PolarHBondContact O-N 2.7Å
277L80.1Confident74.3Confident1 Ų146.6 Ų46.61%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-57.9120.5175.8168.264.3000110Q203 L204 P207 I246 L270 L279Q203-L277 CarbonylContact C-O 2.94Å; Q203-L277 WeakPolarHBondContact CA-O 3.23Å; L204-L277 HydrophobicContact CB-CB 4.21Å; L204-L277 HydrophobicContact CB-CD2 4.18Å; L204-L277 HydrophobicContact CB-CG 4.35Å; L204-L277 HydrophobicContact CD1-CD2 3.93Å; L204-L277 HydrophobicContact CD1-CG 4.46Å; L204-L277 PolarHBondContact N-O 3.19Å; L204-L277 PolarHBondContact O-N 3.38Å; L204-L277 VanDerWaalsContact O-N 3.1Å; P207-L277 HydrophobicContact CB-CD2 3.99Å; I246-L277 HydrophobicContact CG2-CD1 4.03Å; L270-L277 HydrophobicContact CD2-CD1 3.91Å; L270-L277 HydrophobicContact CD2-CD2 4.08Å; L277-L279 HydrophobicContact CD1-CD2 3.94Å; L277-L279 HydrophobicContact CD2-CD2 4.5Å; L277-L279 HydrophobicContact CG-CD2 4.25Å; L277-L279 HydrophobicContact CG-CG 4.35Å
278S82.8Confident72.8Confident15 Ų1553 Ų5311%0.10529%0.286CS..EExtended strand (participates in β ladder)trans-109.9107.3179.6173.30000111.1Q201 N247 G276Q201-S278 PolarHBondContact NE2-OG 2.95Å; N247-S278 PolarHBondContact N-O 2.82Å; N247-S278 PolarHBondContact OD1-N 3.42Å; G276-S278 PolarHBondContact O-N 2.7Å
279L86.1Confident70.8Confident0 Ų053.9 Ų53.90%030%0.302CS..EExtended strand (participates in β ladder)trans-93.5149.8172.3-59.3-173.4000111.3Q201 V202 L204 L210 V243 Q245 I246 L270 L277 L281Q201-L279 CarbonylContact C-O 3.59Å; Q201-L279 WeakPolarHBondContact CA-O 3.43Å; V202-L279 PolarHBondContact N-O 2.81Å; V202-L279 PolarHBondContact O-N 3.28Å; L204-L279 HydrophobicContact CD1-CD1 3.7Å; L204-L279 HydrophobicContact CD1-CG 4.15Å; L210-L279 HydrophobicContact CD1-CD1 3.52Å; V243-L279 HydrophobicContact CG1-CD2 4.4Å; Q245-L279 CarbonylContact O-C 3.48Å; Q245-L279 WeakPolarHBondContact O-CA 3.36Å; I246-L279 HydrophobicContact CB-CD2 4.31Å; I246-L279 HydrophobicContact CG1-CD2 3.78Å; I246-L279 HydrophobicContact CG2-CD2 4.31Å; L270-L279 HydrophobicContact CD2-CD2 3.94Å; L277-L279 HydrophobicContact CD1-CD2 3.94Å; L277-L279 HydrophobicContact CD2-CD2 4.5Å; L277-L279 HydrophobicContact CG-CD2 4.25Å; L277-L279 HydrophobicContact CG-CG 4.35Å; L279-L281 HydrophobicContact CB-CD2 4.32Å; L279-L281 HydrophobicContact CB-CG 4.49Å; L279-L281 HydrophobicContact CD1-CD2 4.37Å
280V85Confident68.7Low0 Ų058.1 Ų58.10%033%0.33CS..EExtended strand (participates in β ladder)trans-119.3122.4157.9-1750000108.4L199 E200 Q201 V244 Q245L199-V280 HydrophobicContact CB-CG1 3.79Å; L199-V280 HydrophobicContact CD1-CG1 4.28Å; L199-V280 HydrophobicContact CD2-CG1 4.18Å; L199-V280 HydrophobicContact CG-CG1 4.3Å; E200-V280 CarbonylContact O-C 3.6Å; E200-V280 WeakPolarHBondContact O-CA 3.4Å; Q201-V280 HydrophobicContact CB-CG2 4.18Å; Q201-V280 HydrophobicContact CG-CG2 4.15Å; V244-V280 PolarHBondContact N-O 3.29Å; Q245-V280 HydrophobicContact CB-CB 3.57Å; Q245-V280 HydrophobicContact CB-CG2 3.74Å; Q245-V280 HydrophobicContact CG-CG2 4.36Å; Q245-V280 PolarHBondContact N-O 3.47Å; Q245-V280 VanDerWaalsContact N-O 3.13Å; Q245-V280 PolarHBondContact O-N 3.48Å
281L83.3Confident66.6Low0 Ų063 Ų630%036%0.363CS..EExtended strand (participates in β ladder)trans-107.1140.4-176.1-57.3177000110L199 E200 V202 I237 D241 E242 V243 L279 K283L199-L281 WeakPolarHBondContact CA-O 3.09Å; E200-L281 PolarHBondContact N-O 3.42Å; E200-L281 PolarHBondContact O-N 2.85Å; V202-L281 HydrophobicContact CG2-CD1 4.07Å; I237-L281 HydrophobicContact CB-CD1 4.31Å; I237-L281 HydrophobicContact CD1-CD1 4.04Å; I237-L281 HydrophobicContact CG1-CD1 3.76Å; I237-L281 HydrophobicContact CG2-CD1 3.95Å; D241-L281 HydrophobicContact CB-CB 4.43Å; D241-L281 HydrophobicContact CB-CD1 4.1Å; E242-L281 CarbonylContact O-C 3.47Å; E242-L281 WeakPolarHBondContact O-CA 3.37Å; V243-L281 HydrophobicContact CB-CD2 4.38Å; V243-L281 HydrophobicContact CG2-CD2 3.91Å; L279-L281 HydrophobicContact CB-CD2 4.32Å; L279-L281 HydrophobicContact CB-CG 4.49Å; L279-L281 HydrophobicContact CD1-CD2 4.37Å; L281-K283 HydrophobicContact CB-CG 4.02Å
282K79.9Confident64.8Low0 Ų066.8 Ų66.80%038%0.378CS..EExtended strand (participates in β ladder)trans-93.3101.4169.9-179.8-179.6179.1-1770109L74 E77 A197 M198 L199 E242 V244L74-K282 HydrophobicContact CD2-CD 4.12Å; L74-K282 HydrophobicContact CD2-CG 4.1Å; E77-K282 IonicContact OE2-NZ 2.7Å; E77-K282 PolarHBondContact OE2-NZ 2.92Å; A197-K282 HydrophobicContact CB-CD 4.25Å; A197-K282 VanDerWaalsContact CB-CE 3.49Å; A197-K282 HydrophobicContact CB-CG 3.75Å; M198-K282 WeakPolarHBondContact O-CA 3.29Å; L199-K282 HydrophobicContact CD2-CB 3.93Å; L199-K282 HydrophobicContact CD2-CG 4.46Å; E242-K282 HydrophobicContact CB-CB 4.44Å; E242-K282 PolarHBondContact O-N 2.98Å; V244-K282 HydrophobicContact CG2-CB 3.69Å
283K77.5Confident62.5Low18 Ų1864.3 Ų64.38%0.07838%0.379CS..EExtended strand (participates in β ladder)trans-107.7158.7-176.2-43.7-161.9-173.4157.80111.7A197 M198 E200 Q236 D241 L281A197-K283 CarbonylContact C-O 3.39Å; A197-K283 WeakPolarHBondContact CA-O 3.44Å; M198-K283 PolarHBondContact N-O 3.06Å; M198-K283 PolarHBondContact O-N 3.35Å; E200-K283 HydrophobicContact CB-CD 4.36Å; E200-K283 IonicContact OE1-NZ 3.79Å; E200-K283 PolarHBondContact OE1-NZ 3.26Å; E200-K283 WeakPolarHBondContact OE2-CD 3.25Å; E200-K283 WeakPolarHBondContact OE2-CE 3.37Å; E200-K283 IonicContact OE2-NZ 3.06Å; E200-K283 PolarHBondContact OE2-NZ 3.29Å; Q236-K283 WeakPolarHBondContact O-CE 3.46Å; Q236-K283 PolarHBondContact O-NZ 3.01Å; D241-K283 WeakPolarHBondContact OD1-CD 3.26Å; D241-K283 VanDerWaalsContact OD1-CG 3.24Å; D241-K283 WeakPolarHBondContact OD1-CG 3.4Å; D241-K283 WeakPolarHBondContact OD2-CE 3.32Å; L281-K283 HydrophobicContact CB-CG 4.02Å
284I72.4Confident60.7Low32 Ų3263.7 Ų63.716%0.16439%0.386CS..  trans-117.8104.7172.5-58.9160.4000107W128 R131 Q195 A197 I286W128-I284 HydrophobicContact CD2-CD1 3.84Å; W128-I284 HydrophobicContact CE3-CD1 4.35Å; W128-I284 HydrophobicContact CG-CD1 4.25Å; W128-I284 HydrophobicContact CH2-CD1 4.35Å; W128-I284 HydrophobicContact CH2-CG1 4.24Å; W128-I284 HydrophobicContact CZ2-CD1 3.8Å; W128-I284 HydrophobicContact CZ2-CG1 3.89Å; W128-I284 HydrophobicContact CZ2-CG2 4.25Å; R131-I284 HydrophobicContact CB-CD1 4.14Å; Q195-I284 HydrophobicContact CG-CG2 3.96Å; A197-I284 HydrophobicContact CB-CG1 4.14Å; I284-I286 PolarHBondContact O-N 2.99Å
285P64.2Low59.3Low39 Ų3966.5 Ų66.525%0.25340%0.404SS..PPolyproline II helixtrans-67.4124.9-173.4-14.726.3000111Q195 M198Q195-P285 PolarHBondContact NE2-O 3.37Å; M198-P285 HydrophobicContact CE-CG 3.65Å; M198-P285 HydrophobicContact CG-CG 3.78Å; M198-P285 HydrophobicContact SD-CG 3.75Å
286I61Low57.9Low60 Ų6070.7 Ų70.731%0.30841%0.408SS..PPolyproline II helixtrans-81.6129.4169.5-55.3-178.5000107.7Y132 I284 E288Y132-I286 HydrophobicContact CD2-CD1 4.5Å; Y132-I286 HydrophobicContact CE2-CD1 3.87Å; Y132-I286 HydrophobicContact CE2-CG1 4.07Å; I284-I286 PolarHBondContact O-N 2.99Å; I286-E288 PolarHBondContact O-N 3.01Å
287P54.7Low56.1Low73 Ų7374.7 Ų74.747%0.47442%0.424SS..PPolyproline II helixtrans-64.2116.8174.9-21.733.5000111.2T289P287-T289 PolarHBondContact O-N 3.49Å
288E47.2Very low53.8Low187 Ų18782.7 Ų82.787%0.87447%0.466SS*.SBendtrans-72.371.3171.6-71.6-152.5150.200111.6I286I286-E288 PolarHBondContact O-N 3.01Å
289T36.3Very low51Low110 Ų11088.6 Ų88.668%0.67550%0.496SS*.  trans-159.2115.9160.3-17.50000111P287 P291P287-T289 PolarHBondContact O-N 3.49Å; T289-P291 WeakPolarHBondContact O-CD 3.33Å
290P36.5Very low48.3Very low99 Ų9993.5 Ų93.564%0.64353%0.53SS*.  trans-66.7127.9161.328.5-31.6000108Q292P290-Q292 VanDerWaalsContact C-N 3.33Å; P290-Q292 PolarHBondContact O-N 3.27Å
291P33.8Very low45.8Very low119 Ų11999.7 Ų99.777%0.77357%0.571SS**  trans-70.688.8179.127.7-33.9000110.3T289 T293T289-P291 WeakPolarHBondContact O-CD 3.33Å; P291-T293 PolarHBondContact O-N 3.44Å
292Q40.2Very low43.2Very low183 Ų183106.7 Ų106.786%0.85560%0.603SS**  trans-73.761.5172.1-72.5-154.88.200111.9P290P290-Q292 VanDerWaalsContact C-N 3.33Å; P290-Q292 PolarHBondContact O-N 3.27Å
293T30.1Very low40.6Very low97 Ų97118.8 Ų118.860%0.59565%0.649SS**SBendtrans-143.3118.7157-14.50000108P291P291-T293 PolarHBondContact O-N 3.44Å
294P32.2Very low38.1Very low109 Ų109127.4 Ų127.471%0.70868%0.681SS**  trans-59.6141.6163.728.1-33.3000108Q296P294-Q296 PolarHBondContact O-N 2.98Å
295P33.9Very low35.9Very low122 Ų122130.8 Ų130.879%0.79271%0.707SS**  trans-60116.7-173.723-33.3000110.1V297P295-V297 PolarHBondContact O-N 2.97Å; P295-V297 VanDerWaalsContact O-N 3.09Å
296Q31.9Very low34.4Very low177 Ų177134.8 Ų134.883%0.82773%0.733SS**  trans-65.3113.2170.8-69.7-169.7700107.9P294 L298P294-Q296 PolarHBondContact O-N 2.98Å; Q296-L298 PolarHBondContact O-N 3.19Å
297V29.6Very low32.6Very low128 Ų128136.8 Ų136.878%0.77675%0.753SS**  trans-64.3101.9172.8178.10000107.4P295 D299P295-V297 PolarHBondContact O-N 2.97Å; P295-V297 VanDerWaalsContact O-N 3.09Å; V297-D299 PolarHBondContact O-N 3.4Å
298L30.5Very low31.2Very low168 Ų168142 Ų14288%0.8878%0.775SS**  trans-72.6110.4174.8-166.673.6000108.3Q296 S300Q296-L298 PolarHBondContact O-N 3.19Å; L298-S300 PolarHBondContact O-N 3.35Å
299D25.5Very low30.1Very low139 Ų139138.5 Ų138.574%0.74377%0.771SS**PPolyproline II helixtrans-52.7122.8-175.3-82.7-58.7000112.7V297V297-D299 PolarHBondContact O-N 3.4Å
300S29.6Very low29.6Very low103 Ų103141.7 Ų141.772%0.7278%0.784SS**PPolyproline II helixtrans-92.3126.816244.60000109L298L298-S300 PolarHBondContact O-N 3.35Å
301P32.4Very low29.2Very low130 Ų130141 Ų14184%0.84479%0.786SS**PPolyproline II helixtrans-69.5136.3-163.825-34.2000113.1
302H27.5Very low29Very low148 Ų148141.5 Ų141.569%0.68579%0.79SS**PPolyproline II helixtrans-54.3148.3-169-44.6-62.2000115.8R304H302-R304 HydrophobicContact CB-CG 4.43Å
303R26.1Very low28.3Very low253 Ų253141 Ų14196%0.95579%0.792SS**  trans-120.684.6139.8-146.8175.6-167.6-164.62.6111.8
304R25.4Very low28.1Very low200 Ų200142 Ų14276%0.75580%0.803SS**  trans-39149159-78.8-175.6-168.8169.95.3111.6H302H302-R304 HydrophobicContact CB-CG 4.43Å
305S25.6Very low28.2Very low102 Ų102142.6 Ų142.671%0.71381%0.806SS**  cis-169.5-176.72.8-86.90000106.9
306P32Very low27.7Very low124 Ų124148.8 Ų148.881%0.80581%0.814SS**  cis-125.7174.4-738.2-21.9000114.7
307S23.6Very low27.6Very low102 Ų102144.7 Ų144.771%0.71381%0.81SS**  trans-79.5145.5174.252.60000114.7
308L26.4Very low28Very low182 Ų182143.9 Ų143.995%0.95381%0.807SS**  -140.5122.4128.4-81.5-174.4000108.8
309S23.4Very low27.9Very low113 Ų113140.4 Ų140.479%0.7980%0.797SS**  trans-103.1139.3174.447.90000110.2
310L26.4Very low27.9Very low178 Ų178142.3 Ų142.393%0.93280%0.802SS**  trans-131.4128168-146.477.9000108.6
311A28Very low27.7Very low84 Ų84144.2 Ų144.269%0.69480%0.804SS**  trans-81.1150.417900000111.1
312P28.4Very low27.3Very low130 Ų130143.2 Ų143.284%0.84480%0.795SS**  trans-73136173.830.6-33.9000111.1
313L24.8Very low27.3Very low173 Ų173146 Ų14691%0.90681%0.805SS**  trans-109140.2171.5-84.2169.2000110.9
314S26.9Very low27.1Very low117 Ų117137.9 Ų137.982%0.81879%0.793SS**  trans-82.7145.8173.3-165.20000110.7
315P33.6Very low27.1Very low121 Ų121138.4 Ų138.479%0.78680%0.801SS**  trans-94.6124.1-161.934.1-34.6000115.5
316R25Very low27.1Very low253 Ų253140.3 Ų140.396%0.95580%0.803SS**  trans-158.9153.5142.6-126.3170.8175.4132.2-2.3111.6
317A28.3Very low26.9Very low90 Ų90141.4 Ų141.474%0.74480%0.801SS**  trans-138.2177.2-174.400000109
318P39.3Very low26.9Very low111 Ų111141.1 Ų141.172%0.72180%0.799SS**  cis-136.9-173.13.940.4-20.8000116.3
319S26.8Very low27Very low95 Ų95137.8 Ų137.866%0.66479%0.791SS**  trans67.9111.7147.959.60000122.7
320E26.5Very low27.2Very low179 Ų179139.6 Ų139.684%0.83679%0.792SS**  86.5118.9126.4-66.7178.4169.900122.6
321D25.1Very low28.1Very low143 Ų143136 Ų13677%0.76578%0.779SS**  trans76.6106.8134.7-81.423.2000124.4
322V25Very low28.1Very low109 Ų109137.2 Ų137.266%0.66178%0.783SS**  114.2141.2106.5154.40000120.4
323F26.3Very low29Very low206 Ų206137.1 Ų137.190%0.90478%0.782SS**  trans72.1145.5175.3-73.7-56.2000119.6
324A23.2Very low29Very low83 Ų83132.3 Ų132.369%0.68677%0.774SS**  trans-121.2172.7-178.400000109.6
325F25.5Very low30Very low211 Ų211133 Ų13393%0.92578%0.776SS**  trans-156.7148140.1-117.5-75000112.2
326D25.5Very low29.8Very low143 Ų143132.4 Ų132.477%0.76578%0.775SS**  trans-75.1165.4172.7-91.1-60.4000113.5
327L26.9Very low30.9Very low147 Ų147126.2 Ų126.277%0.7777%0.767SS**  152.8116.7125.8-77.4168.9000109.3
328S24.6Very low30.8Very low96 Ų96125.9 Ų125.967%0.67177%0.765SS**  67.714083.1106.30000113.8
329S27.7Very low30.2Very low112 Ų112132.1 Ų132.178%0.78377%0.774SS**  cis-152.7155.518.7-81.20000115.8
330N27.3Very low30.2Very low150 Ų150133.3 Ų133.380%0.80278%0.777SS**  trans-48.9-175154.2-100.1-30.2000115.8
331P46.1Very low30.2Very low102 Ų102131.7 Ų131.766%0.66277%0.774SS**  cis-144.5167.9-27.136.8-18.5000116.9
332S27.6Very low30.5Very low111 Ų111129.6 Ų129.678%0.77677%0.771SS**  trans37.6-180133-50.10000123.7
333P47.8Very low30.8Very low128 Ų128128.9 Ų128.983%0.83178%0.777SS**  cis-126.9-174-14.323.22.2000115.2
334G24.8Very low30.8Very low71 Ų71124.4 Ų124.473%0.73277%0.771SS**  trans-86.6-146.2173.700000115.2
335P47.8Very low31.1Very low132 Ų132128.3 Ų128.386%0.85778%0.779SS**  cis-139.6-168.720.343.9-24.2000117.3
336S27.8Very low31.1Very low109 Ų109121.2 Ų121.276%0.76277%0.765SS**  trans-76.7-168.3178.1-31.70000114.2
337P48.4Very low32Very low122 Ų122120.7 Ų120.779%0.79277%0.77SS**  cis-145.2-166.28.142.1-19.6000118.1
338A26.9Very low32.2Very low84 Ų84120.3 Ų120.369%0.69476%0.764SS**  trans112.691.9141.600000123.2
339W26.6Very low33Very low242 Ų242121.3 Ų121.392%0.91777%0.768SS**  61.4158.2121.8-79.361000125.5
340T27.8Very low33.1Very low119 Ų119122.6 Ų122.673%0.7377%0.766SS**  trans79.996.3160.7410000123.8
341D26.4Very low34Very low145 Ų145120.2 Ų120.278%0.77576%0.759SS**  84.8144.5108-125.9-46.4000125.7
342S31Very low33.1Very low99 Ų99122.8 Ų122.869%0.69277%0.765SS**  trans80.596.3145.8-75.20000125.5
343A29.9Very low33.9Very low95 Ų95123.4 Ų123.479%0.78577%0.766SS**  76.3162.8114.800000124.6
344S26.2Very low32.9Very low111 Ų111124.7 Ų124.778%0.77677%0.765SS**  trans75.5146171.7-67.50000117.9
345L30Very low33Very low166 Ų166129.9 Ų129.987%0.86977%0.771SS**  cis-157167.54.6-116.5161000110.9
346G25.8Very low31.9Very low61 Ų61129.5 Ų129.563%0.62977%0.766SS**  trans-92.9-158.816700000113.3
347P43.8Very low32.5Very low132 Ų132130.4 Ų130.486%0.85777%0.77SS**  cis-142.9-158.514.345-24.1000116.5
348E32.5Very low31.5Very low139 Ų139129.1 Ų129.165%0.6577%0.769SS**  trans-60.2-179.3171.8-116.5-156.190.400116.2L350E348-L350 WeakPolarHBondContact OE1-CD1 3.45Å; E348-L350 WeakPolarHBondContact OE1-CG 3.43Å; E348-L350 PolarHBondContact OE1-N 2.99Å
349P40.2Very low31.4Very low117 Ų117133 Ų13376%0.7678%0.776SS**  cis-148176.732.942-18.8000122.6
350L31.2Very low31.6Very low140 Ų140129.3 Ų129.373%0.73377%0.774SS**  trans-53-167.8166.5-79.8172.8000119.7E348E348-L350 WeakPolarHBondContact OE1-CD1 3.45Å; E348-L350 WeakPolarHBondContact OE1-CG 3.43Å; E348-L350 PolarHBondContact OE1-N 2.99Å
351P45.2Very low32.4Very low100 Ų100129.2 Ų129.265%0.64978%0.775SS**  cis-149.9-172.8-3136.3-13.6000119.2
352I27.8Very low32.4Very low155 Ų155127.5 Ų127.580%0.79578%0.781SS**  trans59.4170156.531.6162.8000121.2
353P43.8Very low32Very low124 Ų124126.2 Ų126.281%0.80578%0.783SS**  cis-127.9-135.11642.5-21.6000118.2
354L27.3Very low31.9Very low155 Ų155128.8 Ų128.881%0.81279%0.789SS**  trans-157.5-172.4-144.4-148109.1000115.5
355E26.3Very low31.9Very low180 Ų180128.4 Ų128.484%0.84179%0.793SS**  trans121.4166.2149.7-62-15816200122.6
356T26.1Very low31.6Very low124 Ų124124 Ų12476%0.76179%0.787SS**  trans-121.5-176.9-154.4-26.80000112.7
357P39.5Very low31.7Very low129 Ų129127.7 Ų127.784%0.83880%0.798SS**  -154.9-174.288.840.2-19000116.4
358A27.2Very low31.2Very low95 Ų95127.6 Ų127.679%0.78580%0.797SS**  trans-139.7161.5-177.300000114.1
359I25.1Very low30.6Very low165 Ų165124.7 Ų124.785%0.84680%0.804SS**  trans-145.8137.4174.5-58.2-177.7000112.8
360L30.9Very low29.9Very low164 Ų164127 Ų12786%0.85981%0.809SS**  trans-142158.6159.4-72.2176.5000107.6
361P43.8Very low30.3Very low117 Ų117125.6 Ų125.676%0.7681%0.809SS**  -161.6150.392.840.4-19.2000120.4
362A26.7Very low29.1Very low110 Ų110129.6 Ų129.691%0.90982%0.819SS**  trans51141.4130.500000126.7
363G23.2Very low29Very low71 Ų71127.2 Ų127.273%0.73282%0.816SS**  trans124.5147.4145.900000116.9
364V27.1Very low28.6Very low149 Ų149126.8 Ų126.890%0.90381%0.814SS**  cis-152.2160.6-10.6159.20000108.8
365A26.1Very low28.5Very low103 Ų103125.2 Ų125.285%0.85181%0.806SS**  trans-72.1170.6-171.900000118.2
366G24.2Very low28.4Very low73 Ų73125.3 Ų125.375%0.75380%0.803SS**  trans176.4110.6161.200000116.6
367T28.3Very low28.4Very low140 Ų140124.3 Ų124.386%0.85980%0.802SS**  trans-137.8133.9169.8-42.90000110.2
368P32Very low28Very low129 Ų129124.2 Ų124.284%0.83880%0.801SS**  trans-149.1155.5142.137.1-21.2000115.7
369G21.1Very low28.1Very low78 Ų78126.2 Ų126.280%0.80480%0.803SS**  trans127107.5148.500000118.6
370L25.6Very low28.1Very low165 Ų165121.8 Ų121.886%0.86480%0.798SS**  trans-133.6146.9153-148.791.3000106.2
371P38.1Very low28.4Very low112 Ų112125.6 Ų125.673%0.72780%0.801SS**  -137-163.58034.9-13.9000110.3
372E21.3Very low27.6Very low183 Ų183130 Ų13086%0.85581%0.808SS**  cis-136.9-168.110-60-177.9102.600111.4
373S25Very low27.8Very low106 Ų106134.5 Ų134.574%0.74181%0.807SS**  trans-140.3167.2160.368.60000108.4
374P36Very low28.2Very low115 Ų115137 Ų13775%0.74781%0.814SS**  -158.11728745.2-26.7000117.7
375D24.5Very low28.4Very low121 Ų121139.6 Ų139.665%0.64781%0.813SS**  trans64.896.8141.6-128.632.3000121.9
376K25.1Very low28.7Very low182 Ų182138.4 Ų138.479%0.79181%0.81SS**  169.9139.197.4-95.1154-178.7122.10115.1
377S26.1Very low29Very low104 Ų104143.3 Ų143.373%0.72782%0.818SS**  trans-96.1165159.362.70000110.8
378P30.3Very low29.1Very low127 Ų127139.7 Ų139.783%0.82580%0.803SS**  -137.7160.8110.738.2-29000114.7
379V30.2Very low29.4Very low136 Ų136137.7 Ų137.782%0.82479%0.789SS**  trans-73.9136.1-177.9173.20000112.4
380G25.1Very low30.1Very low72 Ų72144.2 Ų144.274%0.74279%0.789SS**  trans-134.295.1171.600000113.2K382G380-K382 PolarHBondContact O-N 3.47Å
381R35.8Very low30.7Very low244 Ų244140.6 Ų140.692%0.92177%0.77SS**  trans-58.4128173-79.2176.1164.9171.2-5.6111.3
382K27.6Very low30.9Very low210 Ų210139.1 Ų139.191%0.91376%0.762SS**  trans-145.3141.7158.7-105.3164.6-173.7173.70111G380G380-K382 PolarHBondContact O-N 3.47Å
383K32.3Very low31.7Very low205 Ų205138.6 Ų138.689%0.89175%0.752SS**  trans-81.4135.8-178.4-59.5176.9179.1-177.70110.1K385K383-K385 PolarHBondContact O-N 3.28Å
384S30.6Very low32.8Very low124 Ų124142.9 Ų142.987%0.86775%0.752SS**  trans-71114.4164.8310000110.1
385K30.8Very low33.7Very low202 Ų202146.2 Ų146.288%0.87875%0.75SS**  trans-83.3158.5158.5-85-170.8170.2-170.50109K383K383-K385 PolarHBondContact O-N 3.28Å
386G33.2Very low35.6Very low78 Ų78142.7 Ų142.780%0.80473%0.732SS**  trans-59.4158.1-177.600000114.9
387L31.1Very low37.4Very low176 Ų176134.4 Ų134.492%0.92170%0.697SS**  trans-84.8111.9-174.3-16776.2000111.1
388A29.6Very low39.4Very low64 Ų64130.2 Ų130.253%0.52967%0.668SS.*  trans-98.5132.1167.400000110.2R393A388-R393 PolarHBondContact O-NH2 3.05Å
389T37.6Very low41.1Very low88 Ų88132.6 Ų132.654%0.5466%0.661SS.*  trans-65.7169.9-171.154.30000113.7
390R36.6Very low42.9Very low215 Ų215133.5 Ų133.581%0.81166%0.656SS**SBendtrans-90.7-23.4-156.3-148.5174.6-175.5-174.42.2114.7R393R390-R393 WeakPolarHBondContact O-CB 3.35Å; R390-R393 PolarHBondContact O-N 2.94Å
391L38.7Very low44.8Very low89 Ų89130.9 Ų130.947%0.46663%0.625SS.*G310 helixtrans-71.7-33.3-176.4-72.9174000113.6R393 R394L391-R393 PolarHBondContact O-N 3.37Å; L391-R394 PolarHBondContact O-N 3.39Å; L391-R394 VanDerWaalsContact O-N 3.08Å
392S41.1Very low46.4Very low80 Ų80121.8 Ų121.856%0.55961%0.607SS**G310 helixtrans-49.1-19170.4171.70000114.2
393R39.5Very low48.7Very low173 Ų173122.9 Ų122.965%0.65361%0.605SS**G310 helixtrans-98.9-1.1-174-45.4-174.4-164.9-157.25.4114.6A388 R390 L391A388-R393 PolarHBondContact O-NH2 3.05Å; R390-R393 WeakPolarHBondContact O-CB 3.35Å; R390-R393 PolarHBondContact O-N 2.94Å; L391-R393 PolarHBondContact O-N 3.37Å
394R46.4Very low51.2Low196 Ų196115.2 Ų115.274%0.7458%0.577SS**  trans-103.4121.4177.1-71.9-173.7173.9179-1.6110.7L391L391-R394 PolarHBondContact O-N 3.39Å; L391-R394 VanDerWaalsContact O-N 3.08Å
395R55.6Low53.6Low185 Ų185113 Ų11370%0.69856%0.555SS**  trans-85.2121.1169.7-60.5-179.4179-128.5-4.7107.6E445 K446R395-E445 WeakPolarHBondContact CB-O 3.12Å; R395-K446 HydrophobicContact CB-CB 4.15Å; R395-K446 HydrophobicContact CB-CG 4.24Å; R395-K446 HydrophobicContact CG-CB 4.28Å; R395-K446 HydrophobicContact CG-CG 4.22Å
396V64.6Low56.3Low46 Ų46103.7 Ų103.728%0.27952%0.515SS..  trans-99113.3174.9-179.30000107.7L401 Y437 Y439 E445 K446 A447V396-L401 HydrophobicContact CG1-CD2 4.1Å; V396-L401 HydrophobicContact CG1-CG 4.46Å; V396-Y437 HydrophobicContact CG1-CD1 4.23Å; V396-Y437 HydrophobicContact CG1-CE1 4.01Å; V396-Y439 WeakPolarHBondContact O-CE1 3.39Å; V396-E445 CarbonylContact C-O 3.46Å; V396-E445 CarbonylContact O-C 3.59Å; V396-K446 CarbonylContact O-C 3.59Å; V396-K446 VanDerWaalsContact O-CA 3.27Å; V396-K446 WeakPolarHBondContact O-CA 3.27Å; V396-A447 PolarHBondContact O-N 3.48Å
397S63.7Low59Low8 Ų8103.6 Ų103.66%0.05650%0.496CS..  trans-84.1135.5-178.1166.30000111.7R399 E400 L401 E445S397-R399 PolarHBondContact O-N 2.93Å; S397-R399 VanDerWaalsContact O-N 3.1Å; S397-R399 PolarHBondContact OG-N 3.4Å; S397-E400 PolarHBondContact O-N 3Å; S397-E400 VanDerWaalsContact O-N 3.1Å; S397-L401 PolarHBondContact O-N 3.31Å; S397-E445 WeakPolarHBondContact CA-O 3.45Å; S397-E445 PolarHBondContact N-O 3.37Å
398C66.8Low61.7Low17 Ų1795.7 Ų95.712%0.11546%0.458CS..THydrogen-bonded Turntrans-58.7-25.4176.3-170.20000112.5Y439 P442 D444C398-Y439 HydrophobicContact CB-CD1 4.08Å; C398-Y439 HydrophobicContact CB-CD2 4.18Å; C398-Y439 HydrophobicContact CB-CE1 3.79Å; C398-Y439 HydrophobicContact CB-CE2 3.94Å; C398-Y439 HydrophobicContact CB-CG 4.26Å; C398-P442 PolarHBondContact SG-O 3.19Å; C398-P442 VanDerWaalsContact SG-O 3.34Å; C398-D444 PolarHBondContact N-O 3.09Å
399R67.2Low64.6Low177 Ų17796.9 Ų96.967%0.66845%0.448SS*.THydrogen-bonded Turntrans-82-33.8178.4-54.8-175.1-170.4-151.53.3112.8S397 L401 G402S397-R399 PolarHBondContact O-N 2.93Å; S397-R399 VanDerWaalsContact O-N 3.1Å; S397-R399 PolarHBondContact OG-N 3.4Å; R399-L401 PolarHBondContact O-N 2.69Å; R399-G402 PolarHBondContact O-N 2.71Å; R399-G402 VanDerWaalsContact O-N 3.11Å
400E66.4Low67.2Low155 Ų15592.7 Ų92.772%0.72442%0.423SS*.THydrogen-bonded Turntrans-72.6-18.5179.1-70.4167.8-164.100112.3S397 G402S397-E400 PolarHBondContact O-N 3Å; S397-E400 VanDerWaalsContact O-N 3.1Å; E400-G402 PolarHBondContact O-N 2.85Å
401L66.6Low69.9Low17 Ų1783.3 Ų83.39%0.08939%0.388CS..THydrogen-bonded Turntrans-63-20.6167.3-66.6-178.9000112.9V396 S397 R399 V430 K432 Y437 Y439V396-L401 HydrophobicContact CG1-CD2 4.1Å; V396-L401 HydrophobicContact CG1-CG 4.46Å; S397-L401 PolarHBondContact O-N 3.31Å; R399-L401 PolarHBondContact O-N 2.69Å; L401-V430 HydrophobicContact CD1-CB 4.33Å; L401-V430 HydrophobicContact CD1-CG1 3.94Å; L401-K432 HydrophobicContact CB-CD 4.28Å; L401-K432 WeakPolarHBondContact O-CD 3.29Å; L401-K432 WeakPolarHBondContact O-CE 3.28Å; L401-K432 PolarHBondContact O-NZ 3.49Å; L401-Y437 HydrophobicContact CD1-CD2 3.65Å; L401-Y437 HydrophobicContact CD1-CE2 4.12Å; L401-Y437 HydrophobicContact CD1-CG 3.9Å; L401-Y437 HydrophobicContact CD2-CD2 4.26Å; L401-Y437 HydrophobicContact CD2-CE1 4.45Å; L401-Y437 HydrophobicContact CD2-CE2 3.87Å; L401-Y439 HydrophobicContact CD1-CE2 4.32Å; L401-Y439 VanDerWaalsContact CD1-OH 3.28Å; L401-Y439 WeakPolarHBondContact CD1-OH 2.92Å
402G68.6Low72.3Confident53 Ų5379.4 Ų79.455%0.54637%0.368SS..  trans67.3-140.9-18000000112.6R399 E400 P404R399-G402 PolarHBondContact O-N 2.71Å; R399-G402 VanDerWaalsContact O-N 3.11Å; E400-G402 PolarHBondContact O-N 2.85Å; G402-P404 WeakPolarHBondContact O-CD 3.5Å
403R76.1Confident74.4Confident233 Ų23379.2 Ų79.288%0.87936%0.355SS*.SBendtrans-72.6126.2175.2-82.8-171.2174.4178.2-0.8111
404P83.6Confident76.3Confident44 Ų4473.3 Ų73.329%0.28633%0.334SS..  trans-85.1168.317336.6-35.9000112.2G402 D407 V430 L431G402-P404 WeakPolarHBondContact O-CD 3.5Å; P404-D407 HydrophobicContact CB-CB 4.41Å; P404-D407 HydrophobicContact CG-CB 3.98Å; P404-D407 WeakPolarHBondContact CG-OD1 3.18Å; P404-V430 HydrophobicContact CB-CG1 3.63Å; P404-V430 HydrophobicContact CG-CG1 4.45Å; P404-L431 WeakPolarHBondContact CB-O 3.44Å
405D81.1Confident76.9Confident78 Ų7867.4 Ų67.442%0.41733%0.327SS..SBendtrans-88.5-28.3171.4-66.4-86.4000111.5L431 K432 G433D405-L431 PolarHBondContact N-O 3.43Å; D405-K432 WeakPolarHBondContact OD2-CA 3.44Å; D405-G433 PolarHBondContact OD2-N 3.17Å
406C87.4Confident76.8Confident5 Ų562.5 Ų62.53%0.03432%0.319CS..EExtended strand (participates in β ladder)trans-159.5139.7167.5-175.70000110.2L431 W493 H496C406-L431 HydrophobicContact CB-CB 4.14Å; C406-L431 HydrophobicContact CB-CD2 4.18Å; C406-L431 PolarHBondContact N-O 3.26Å; C406-L431 WeakPolarHBondContact O-CA 3.34Å; C406-L431 WeakPolarHBondContact O-CB 3.4Å; C406-L431 PolarHBondContact O-N 3.41Å; C406-W493 HydrophobicContact CB-CZ3 4.35Å; C406-H496 HydrophobicContact CB-CB 3.66Å; C406-H496 PolarHBondContact SG-ND1 3.06Å
407D90.2Very high75.7Confident76 Ų7663.6 Ų63.641%0.40634%0.34SS..EExtended strand (participates in β ladder)trans-142.4156.6177.361.8-75.3000111.9P404 W428 F429 V430P404-D407 HydrophobicContact CB-CB 4.41Å; P404-D407 HydrophobicContact CG-CB 3.98Å; P404-D407 WeakPolarHBondContact CG-OD1 3.18Å; D407-W428 HydrophobicContact CB-CZ2 3.99Å; D407-W428 WeakPolarHBondContact OD2-CZ2 3.34Å; D407-F429 VanDerWaalsContact CA-O 3.31Å; D407-F429 WeakPolarHBondContact CA-O 3.32Å; D407-V430 HydrophobicContact CB-CG2 4.34Å
408G87.8Confident75.2Confident11 Ų1166.4 Ų66.411%0.11337%0.37CS..EExtended strand (participates in β ladder)trans160.5176.4-174.800000114.8W428 F429G408-W428 VanDerWaalsContact C-CZ3 3.47Å; G408-W428 VanDerWaalsContact CA-CZ3 3.42Å; G408-F429 PolarHBondContact N-O 3.17Å; G408-F429 PolarHBondContact O-N 2.93Å
409W91.7Very high74Confident88 Ų8876.2 Ų76.233%0.33341%0.411SS..EExtended strand (participates in β ladder)trans-87.8136.9174.4-68.8101.9000111.7R426 C427 W428 P442W409-R426 HydrophobicContact CD2-CG 4.43Å; W409-R426 HydrophobicContact CE3-CG 3.73Å; W409-R426 HydrophobicContact CZ3-CG 4.34Å; W409-C427 VanDerWaalsContact CE3-C 3.41Å; W409-W428 AromaticContact CD1-CE3 3.65Å; W409-W428 AromaticContact CD1-CZ3 3.55Å; W409-W428 AromaticContact CD2-CE3 3.69Å; W409-W428 HydrophobicContact CD2-CE3 3.69Å; W409-W428 HydrophobicContact CD2-CZ3 4.38Å; W409-W428 AromaticContact CE2-CE3 3.58Å; W409-W428 HydrophobicContact CE3-CB 4.08Å; W409-W428 HydrophobicContact CE3-CE3 4.36Å; W409-W428 AromaticContact CG-CE3 3.74Å; W409-W428 HydrophobicContact CG-CE3 3.74Å; W409-W428 HydrophobicContact CG-CZ3 4.06Å; W409-W428 HydrophobicContact CH2-CB 4.08Å; W409-W428 HydrophobicContact CZ2-CE3 4.18Å; W409-W428 HydrophobicContact CZ3-CB 3.85Å; W409-W428 AromaticContact NE1-CE3 3.53Å; W409-W428 AromaticContact NE1-CZ3 3.58Å; W409-P442 HydrophobicContact CZ2-CG 4.18Å
410L92.5Very high73.1Confident1 Ų173.2 Ų73.21%0.00541%0.406CS..EExtended strand (participates in β ladder)trans-135.4159.8166.2-66.3168.4000110.8R426 C427 F429 F470 F482 A484 W493L410-R426 WeakPolarHBondContact O-CA 3.38Å; L410-C427 PolarHBondContact N-O 3.5Å; L410-C427 PolarHBondContact O-N 2.64Å; L410-F429 HydrophobicContact CB-CD2 3.57Å; L410-F429 HydrophobicContact CB-CE2 3.73Å; L410-F429 HydrophobicContact CB-CG 4.37Å; L410-F429 HydrophobicContact CD1-CB 4.39Å; L410-F429 HydrophobicContact CD1-CD2 4.16Å; L410-F429 HydrophobicContact CD1-CG 4.15Å; L410-F429 HydrophobicContact CG-CD2 4.2Å; L410-F470 HydrophobicContact CD1-CZ 3.74Å; L410-F470 HydrophobicContact CD2-CE1 3.9Å; L410-F470 HydrophobicContact CD2-CZ 3.88Å; L410-F470 HydrophobicContact CG-CZ 4.47Å; L410-F482 HydrophobicContact CD1-CD1 4.23Å; L410-A484 HydrophobicContact CD2-CB 3.98Å; L410-W493 HydrophobicContact CD1-CD2 3.85Å; L410-W493 HydrophobicContact CD1-CE3 4.3Å; L410-W493 HydrophobicContact CD1-CG 4.13Å; L410-W493 HydrophobicContact CD1-CZ2 4.22Å; L410-W493 HydrophobicContact CD2-CG 4.15Å; L410-W493 HydrophobicContact CG-CD2 4.39Å; L410-W493 HydrophobicContact CG-CG 4.45Å; L410-W493 HydrophobicContact CG-CZ2 4.44Å
411L91.6Very high72.5Confident17 Ų1768.1 Ų68.19%0.08940%0.396CS..EExtended strand (participates in β ladder)trans-97.8113.3170.2-67.9158.3000109.2W424 R426 K466 F482 A483L411-W424 HydrophobicContact CB-CE3 4Å; L411-W424 WeakPolarHBondContact O-CZ3 3.38Å; L411-R426 HydrophobicContact CD2-CB 3.86Å; L411-R426 HydrophobicContact CD2-CG 4.36Å; L411-K466 HydrophobicContact CD1-CD 4.43Å; L411-F482 CarbonylContact O-C 3.35Å; L411-F482 VanDerWaalsContact O-CA 3.27Å; L411-F482 WeakPolarHBondContact O-CA 3.2Å; L411-A483 HydrophobicContact CB-CB 4.2Å; L411-A483 WeakPolarHBondContact CB-O 3.3Å; L411-A483 HydrophobicContact CD1-CB 4.39Å; L411-A483 PolarHBondContact N-O 3.43Å; L411-A483 PolarHBondContact O-N 2.97Å
412L90Very high72.2Confident7 Ų770.4 Ų70.44%0.03741%0.411CS..EExtended strand (participates in β ladder)trans-93.8133.7173.2172.761.3000110.6K414 W424 R425 F429 W438 F480 F482L412-K414 PolarHBondContact O-N 3.38Å; L412-W424 WeakPolarHBondContact O-CA 3.38Å; L412-R425 PolarHBondContact N-O 2.64Å; L412-R425 PolarHBondContact O-N 3.36Å; L412-F429 HydrophobicContact CB-CZ 4.01Å; L412-F429 HydrophobicContact CD2-CZ 4.37Å; L412-W438 HydrophobicContact CD2-CZ2 4.39Å; L412-F480 HydrophobicContact CD1-CB 4.21Å; L412-F480 HydrophobicContact CD1-CD1 3.92Å; L412-F480 HydrophobicContact CD2-CD1 4.35Å; L412-F482 HydrophobicContact CB-CD1 4.36Å; L412-F482 HydrophobicContact CB-CE1 4.42Å; L412-F482 HydrophobicContact CD1-CD1 4.13Å; L412-F482 HydrophobicContact CD1-CE1 3.82Å; L412-F482 HydrophobicContact CD1-CZ 4.29Å
413R86Confident72.5Confident76 Ų7675.1 Ų75.129%0.28741%0.413SS..EExtended strand (participates in β ladder)trans-81.9107.5174-169.5-172.9-171.9121.7-1.2110.2W424 D463 I481R413-W424 HydrophobicContact CB-CD2 4.13Å; R413-W424 HydrophobicContact CB-CE3 3.81Å; R413-W424 HydrophobicContact CB-CH2 4.05Å; R413-W424 HydrophobicContact CB-CZ2 4.32Å; R413-W424 HydrophobicContact CB-CZ3 3.77Å; R413-W424 HydrophobicContact CG-CD2 4.42Å; R413-W424 HydrophobicContact CG-CZ2 4.35Å; R413-D463 IonicContact CZ-OD2 2.79Å; R413-D463 IonicContact NH1-OD2 3.41Å; R413-D463 PolarHBondContact NH1-OD2 3.34Å; R413-D463 IonicContact NH2-OD2 3.67Å; R413-I481 HydrophobicContact CB-CB 4.12Å; R413-I481 WeakPolarHBondContact CB-O 3.46Å; R413-I481 PolarHBondContact N-O 2.84Å
414K77.9Confident72.9Confident50 Ų5066.9 Ų66.922%0.21738%0.382CS..EExtended strand (participates in β ladder)trans-76.6145.3166.2-89.8-149.7166.8-147.60110.3L412 R423 E521 E523L412-K414 PolarHBondContact O-N 3.38Å; K414-R423 PolarHBondContact N-O 3.02Å; K414-E521 WeakPolarHBondContact CE-OE1 3.24Å; K414-E521 IonicContact NZ-OE1 3.94Å; K414-E521 PolarHBondContact NZ-OE1 3.03Å; K414-E523 IonicContact NZ-OE1 3.63Å; K414-E523 PolarHBondContact NZ-OE1 2.9Å
415A59.1Low73Confident71 Ų7168.4 Ų68.459%0.58738%0.382SS*.  trans-62.8157.8173.800000111.6G417A415-G417 PolarHBondContact O-N 3.49Å; A415-G417 VanDerWaalsContact O-N 3.08Å
416P54.7Low73.4Confident82 Ų8269.7 Ų69.753%0.53238%0.381SS..  trans-68.6105.7-177.7-1832.8000112.4G418 P422P416-G418 PolarHBondContact O-N 2.99Å; P416-P422 HydrophobicContact CG-CB 4.24Å
417G40.9Very low73.5Confident70 Ų7069.5 Ų69.572%0.72238%0.38SS*.  trans-79.696.6170.200000111A415A415-G417 PolarHBondContact O-N 3.49Å; A415-G417 VanDerWaalsContact O-N 3.08Å
418G52.9Low73.5Confident67 Ų6767.7 Ų67.769%0.69137%0.367SS*.THydrogen-bonded Turntrans69.5-143.517700000114.1P416 M420P416-G418 PolarHBondContact O-N 2.99Å; G418-M420 PolarHBondContact O-N 2.94Å
419F40.6Very low73.7Confident223 Ų22367.1 Ų67.198%0.97836%0.361SS*.THydrogen-bonded Turntrans-67.34.5-172.9-95.9-89.7000115.8
420M49Very low73.6Confident113 Ų11363.2 Ų63.256%0.55735%0.347SS*.SBendtrans-111.3124.9-179.5-75.8-83.8173.700110.4G418 R423G418-M420 PolarHBondContact O-N 2.94Å; M420-R423 VanDerWaalsContact CG-NH2 3.28Å; M420-R423 PolarHBondContact SD-NH2 2.68Å
421G54Low73.4Confident49 Ų4963.2 Ų63.251%0.50535%0.347SS..  trans-60.6171179.400000114.2R423G421-R423 WeakPolarHBondContact O-CG 3.21Å; G421-R423 PolarHBondContact O-N 2.86Å
422P60.7Low73.1Confident64 Ų6466.3 Ų66.342%0.41636%0.36SS..  trans-56.1128.1-169.622.9-33.7000112.3P416P416-P422 HydrophobicContact CG-CB 4.24Å
423R75.6Confident72.7Confident153 Ų15366.9 Ų66.958%0.57737%0.368SS*.EExtended strand (participates in β ladder)trans-108.1129.2-174.7-66.5-176.6173-178.9-5.6110.7K414 M420 G421K414-R423 PolarHBondContact N-O 3.02Å; M420-R423 VanDerWaalsContact CG-NH2 3.28Å; M420-R423 PolarHBondContact SD-NH2 2.68Å; G421-R423 WeakPolarHBondContact O-CG 3.21Å; G421-R423 PolarHBondContact O-N 2.86Å
424W83.3Confident72.3Confident60 Ų6067 Ų6723%0.22737%0.372CS..EExtended strand (participates in β ladder)trans-85.8132.5169.9-66.993.5000109.9L411 L412 R413 D463 K466 V469 I481 A483L411-W424 HydrophobicContact CB-CE3 4Å; L411-W424 WeakPolarHBondContact O-CZ3 3.38Å; L412-W424 WeakPolarHBondContact O-CA 3.38Å; R413-W424 HydrophobicContact CB-CD2 4.13Å; R413-W424 HydrophobicContact CB-CE3 3.81Å; R413-W424 HydrophobicContact CB-CH2 4.05Å; R413-W424 HydrophobicContact CB-CZ2 4.32Å; R413-W424 HydrophobicContact CB-CZ3 3.77Å; R413-W424 HydrophobicContact CG-CD2 4.42Å; R413-W424 HydrophobicContact CG-CZ2 4.35Å; W424-D463 HydrophobicContact CZ2-CB 4.39Å; W424-K466 HydrophobicContact CD2-CG 4.25Å; W424-K466 HydrophobicContact CZ2-CB 4.13Å; W424-K466 HydrophobicContact CZ2-CG 3.97Å; W424-V469 HydrophobicContact CH2-CG1 4.3Å; W424-V469 HydrophobicContact CH2-CG2 4.43Å; W424-I481 HydrophobicContact CH2-CG2 3.94Å; W424-A483 HydrophobicContact CE3-CB 4.38Å; W424-A483 HydrophobicContact CH2-CB 4.09Å; W424-A483 HydrophobicContact CZ3-CB 3.81Å
425R85.9Confident72.7Confident75 Ų7565.5 Ų65.528%0.28337%0.367SS..EExtended strand (participates in β ladder)trans-125.2122.4-179.9-171.8176.568.6162.414110.1L412 C427 E448L412-R425 PolarHBondContact N-O 2.64Å; L412-R425 PolarHBondContact O-N 3.36Å; R425-C427 PolarHBondContact NE-SG 2.88Å; R425-C427 PolarHBondContact O-N 2.7Å; R425-C427 PolarHBondContact O-SG 3.49Å; R425-E448 IonicContact CZ-OE2 2.66Å; R425-E448 IonicContact NH1-OE1 2.7Å; R425-E448 IonicContact NH1-OE2 3.54Å; R425-E448 PolarHBondContact NH1-OE2 3.34Å; R425-E448 IonicContact NH2-OE2 3.59Å; R425-E448 PolarHBondContact NH2-OE2 3.07Å
426R89.5Confident74.1Confident106 Ų10662.2 Ų62.240%0.434%0.339SS..EExtended strand (participates in β ladder)trans-73124.5173.9-164.8-174.5-170.380.8-1.1108.7W409 L410 L411 D485W409-R426 HydrophobicContact CD2-CG 4.43Å; W409-R426 HydrophobicContact CE3-CG 3.73Å; W409-R426 HydrophobicContact CZ3-CG 4.34Å; L410-R426 WeakPolarHBondContact O-CA 3.38Å; L411-R426 HydrophobicContact CD2-CB 3.86Å; L411-R426 HydrophobicContact CD2-CG 4.36Å; R426-D485 IonicContact CZ-OD2 3.85Å; R426-D485 VanDerWaalsContact NH1-CG 3.34Å; R426-D485 IonicContact NH1-OD1 3.14Å; R426-D485 PolarHBondContact NH1-OD1 3.19Å; R426-D485 IonicContact NH1-OD2 3.38Å; R426-D485 PolarHBondContact NH1-OD2 3Å; R426-D485 IonicContact NH2-OD2 2.7Å; R426-D485 PolarHBondContact NH2-OD2 2.91Å
427C90.7Very high75.6Confident1 Ų160.2 Ų60.21%0.00732%0.321CS..EExtended strand (participates in β ladder)trans-131.2153.8175.5-40.80000108.5W409 L410 R425 F429 W438 Y439W409-C427 VanDerWaalsContact CE3-C 3.41Å; L410-C427 PolarHBondContact N-O 3.5Å; L410-C427 PolarHBondContact O-N 2.64Å; R425-C427 PolarHBondContact NE-SG 2.88Å; R425-C427 PolarHBondContact O-N 2.7Å; R425-C427 PolarHBondContact O-SG 3.49Å; C427-F429 HydrophobicContact CB-CD2 4.2Å; C427-F429 HydrophobicContact CB-CE2 3.57Å; C427-F429 HydrophobicContact CB-CZ 4.06Å; C427-F429 VanDerWaalsContact O-CD2 3.24Å; C427-F429 WeakPolarHBondContact O-CD2 2.99Å; C427-W438 HydrophobicContact CB-CB 4.11Å; C427-W438 HydrophobicContact CB-CG 4.45Å; C427-Y439 CarbonylContact C-O 3.59Å; C427-Y439 WeakPolarHBondContact CA-O 3.32Å; C427-Y439 WeakPolarHBondContact CB-O 3.49Å
428W88.6Confident77.9Confident37 Ų3757 Ų5714%0.1429%0.287CS..EExtended strand (participates in β ladder)trans-85.4124.7170.9179.3-103.5000108.6D407 G408 W409 W438 Y439 P442D407-W428 HydrophobicContact CB-CZ2 3.99Å; D407-W428 WeakPolarHBondContact OD2-CZ2 3.34Å; G408-W428 VanDerWaalsContact C-CZ3 3.47Å; G408-W428 VanDerWaalsContact CA-CZ3 3.42Å; W409-W428 AromaticContact CD1-CE3 3.65Å; W409-W428 AromaticContact CD1-CZ3 3.55Å; W409-W428 AromaticContact CD2-CE3 3.69Å; W409-W428 HydrophobicContact CD2-CE3 3.69Å; W409-W428 HydrophobicContact CD2-CZ3 4.38Å; W409-W428 AromaticContact CE2-CE3 3.58Å; W409-W428 HydrophobicContact CE3-CB 4.08Å; W409-W428 HydrophobicContact CE3-CE3 4.36Å; W409-W428 AromaticContact CG-CE3 3.74Å; W409-W428 HydrophobicContact CG-CE3 3.74Å; W409-W428 HydrophobicContact CG-CZ3 4.06Å; W409-W428 HydrophobicContact CH2-CB 4.08Å; W409-W428 HydrophobicContact CZ2-CE3 4.18Å; W409-W428 HydrophobicContact CZ3-CB 3.85Å; W409-W428 AromaticContact NE1-CE3 3.53Å; W409-W428 AromaticContact NE1-CZ3 3.58Å; W428-W438 CarbonylContact O-C 3.55Å; W428-W438 WeakPolarHBondContact O-CA 3.38Å; W428-Y439 PolarHBondContact N-O 3.08Å; W428-Y439 PolarHBondContact O-N 2.81Å; W428-P442 HydrophobicContact CB-CG 4.26Å; W428-P442 HydrophobicContact CD2-CB 3.99Å; W428-P442 HydrophobicContact CD2-CG 3.6Å; W428-P442 HydrophobicContact CE3-CG 3.97Å; W428-P442 HydrophobicContact CG-CB 3.96Å; W428-P442 HydrophobicContact CG-CG 3.73Å; W428-P442 HydrophobicContact CZ2-CB 4.33Å; W428-P442 HydrophobicContact CZ2-CG 4.38Å
429F91.9Very high79.5Confident0 Ų053.8 Ų53.80%025%0.254CS..EExtended strand (participates in β ladder)trans-109.5139.3-175.4-77.4-91.9000110.7D407 G408 L410 L412 C427 L436 Y437 W438 F482 W493D407-F429 VanDerWaalsContact CA-O 3.31Å; D407-F429 WeakPolarHBondContact CA-O 3.32Å; G408-F429 PolarHBondContact N-O 3.17Å; G408-F429 PolarHBondContact O-N 2.93Å; L410-F429 HydrophobicContact CB-CD2 3.57Å; L410-F429 HydrophobicContact CB-CE2 3.73Å; L410-F429 HydrophobicContact CB-CG 4.37Å; L410-F429 HydrophobicContact CD1-CB 4.39Å; L410-F429 HydrophobicContact CD1-CD2 4.16Å; L410-F429 HydrophobicContact CD1-CG 4.15Å; L410-F429 HydrophobicContact CG-CD2 4.2Å; L412-F429 HydrophobicContact CB-CZ 4.01Å; L412-F429 HydrophobicContact CD2-CZ 4.37Å; C427-F429 HydrophobicContact CB-CD2 4.2Å; C427-F429 HydrophobicContact CB-CE2 3.57Å; C427-F429 HydrophobicContact CB-CZ 4.06Å; C427-F429 VanDerWaalsContact O-CD2 3.24Å; C427-F429 WeakPolarHBondContact O-CD2 2.99Å; F429-L436 HydrophobicContact CB-CD1 4.03Å; F429-L436 HydrophobicContact CD1-CD1 3.98Å; F429-L436 HydrophobicContact CD1-CD2 3.87Å; F429-L436 HydrophobicContact CD1-CG 3.81Å; F429-L436 HydrophobicContact CE1-CD2 4.33Å; F429-L436 HydrophobicContact CG-CD1 4.5Å; F429-Y437 WeakPolarHBondContact CA-O 3.23Å; F429-W438 HydrophobicContact CD1-CB 3.68Å; F429-W438 HydrophobicContact CD1-CE3 4.41Å; F429-W438 HydrophobicContact CD2-CB 4.41Å; F429-W438 HydrophobicContact CE1-CB 3.49Å; F429-W438 VanDerWaalsContact CE1-CB 3.49Å; F429-W438 AromaticContact CE1-CD2 3.97Å; F429-W438 HydrophobicContact CE1-CD2 3.97Å; F429-W438 AromaticContact CE1-CE3 3.73Å; F429-W438 HydrophobicContact CE1-CE3 3.73Å; F429-W438 AromaticContact CE1-CG 3.92Å; F429-W438 HydrophobicContact CE1-CG 3.92Å; F429-W438 HydrophobicContact CE2-CB 4.27Å; F429-W438 HydrophobicContact CG-CB 4.14Å; F429-W438 HydrophobicContact CZ-CB 3.79Å; F429-W438 HydrophobicContact CZ-CD2 4.4Å; F429-W438 HydrophobicContact CZ-CG 4.11Å; F429-F482 HydrophobicContact CD1-CE1 4.41Å; F429-F482 HydrophobicContact CE1-CD1 4.36Å; F429-F482 AromaticContact CE1-CE1 3.58Å; F429-F482 HydrophobicContact CE1-CE1 3.58Å; F429-F482 HydrophobicContact CE1-CZ 4.44Å; F429-F482 HydrophobicContact CZ-CD1 4.14Å; F429-F482 AromaticContact CZ-CE1 3.69Å; F429-F482 HydrophobicContact CZ-CE1 3.69Å; F429-W493 HydrophobicContact CB-CH2 3.63Å; F429-W493 HydrophobicContact CB-CZ2 3.81Å
430V91.3Very high81.5Confident6 Ų651.7 Ų51.74%0.03624%0.24CC..EExtended strand (participates in β ladder)trans-135.5108-179.7-174.70000108.7L401 P404 D407 Y437 Y439L401-V430 HydrophobicContact CD1-CB 4.33Å; L401-V430 HydrophobicContact CD1-CG1 3.94Å; P404-V430 HydrophobicContact CB-CG1 3.63Å; P404-V430 HydrophobicContact CG-CG1 4.45Å; D407-V430 HydrophobicContact CB-CG2 4.34Å; V430-Y437 PolarHBondContact N-O 3.13Å; V430-Y437 PolarHBondContact O-N 3.21Å; V430-Y439 HydrophobicContact CB-CE2 4.34Å; V430-Y439 HydrophobicContact CG2-CD2 4.19Å; V430-Y439 HydrophobicContact CG2-CE2 4.04Å
431L88.1Confident83Confident1 Ų151.9 Ų51.91%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-86.7122171-173.466.8000108.8P404 D405 C406 L436 V453 W493 H496 L497 C500P404-L431 WeakPolarHBondContact CB-O 3.44Å; D405-L431 PolarHBondContact N-O 3.43Å; C406-L431 HydrophobicContact CB-CB 4.14Å; C406-L431 HydrophobicContact CB-CD2 4.18Å; C406-L431 PolarHBondContact N-O 3.26Å; C406-L431 WeakPolarHBondContact O-CA 3.34Å; C406-L431 WeakPolarHBondContact O-CB 3.4Å; C406-L431 PolarHBondContact O-N 3.41Å; L431-L436 HydrophobicContact CB-CD1 3.97Å; L431-L436 HydrophobicContact CD1-CB 4.05Å; L431-L436 HydrophobicContact CD1-CD1 4.32Å; L431-V453 HydrophobicContact CD1-CB 4.24Å; L431-V453 HydrophobicContact CD1-CG2 3.88Å; L431-W493 HydrophobicContact CB-CZ3 4.09Å; L431-H496 HydrophobicContact CD2-CB 4.23Å; L431-L497 HydrophobicContact CD1-CD2 4.21Å; L431-L497 HydrophobicContact CD2-CD2 4.07Å; L431-C500 HydrophobicContact CD1-CB 4.49Å; L431-C500 HydrophobicContact CD2-CB 3.93Å
432K84.2Confident84.1Confident81 Ų8151 Ų5135%0.35223%0.225SC..EExtended strand (participates in β ladder)trans-143.7128.1172.3-169.8-171.4175.3-160.60110.9L401 D405 H434 T435L401-K432 HydrophobicContact CB-CD 4.28Å; L401-K432 WeakPolarHBondContact O-CD 3.29Å; L401-K432 WeakPolarHBondContact O-CE 3.28Å; L401-K432 PolarHBondContact O-NZ 3.49Å; D405-K432 WeakPolarHBondContact OD2-CA 3.44Å; K432-H434 PolarHBondContact O-N 3.29Å; K432-T435 PolarHBondContact N-O 3.03Å; K432-T435 PolarHBondContact O-N 3.04Å
433G81.9Confident84.9Confident20 Ų2052.9 Ų52.921%0.20623%0.228CC..THydrogen-bonded Turntrans59.3-129.4-165.200000108.7D405 C500 Y504D405-G433 PolarHBondContact OD2-N 3.17Å; G433-C500 PolarHBondContact O-SG 3.11Å; G433-Y504 WeakPolarHBondContact O-CE2 3.4Å
434H77.1Confident84.9Confident79 Ų7947.5 Ų47.537%0.36621%0.211SC..THydrogen-bonded Turntrans-87.9-14.5173.348.7-162.5000115.1K432 N452 V453 Y504K432-H434 PolarHBondContact O-N 3.29Å; H434-N452 WeakPolarHBondContact CB-OD1 3.38Å; H434-N452 VanDerWaalsContact CG-OD1 3.26Å; H434-N452 PolarHBondContact O-OD1 3.02Å; H434-N452 VanDerWaalsContact O-OD1 3.14Å; H434-V453 WeakPolarHBondContact O-CB 3.25Å; H434-V453 PolarHBondContact O-N 3.38Å; H434-Y504 HydrophobicContact CB-CD2 3.81Å; H434-Y504 HydrophobicContact CB-CG 4Å
435T86.3Confident84.2Confident18 Ų1851.2 Ų51.211%0.1123%0.23CC..EExtended strand (participates in β ladder)trans-95.1133-170.7-43.90000112K432 Y437 L450 I451K432-T435 PolarHBondContact N-O 3.03Å; K432-T435 PolarHBondContact O-N 3.04Å; T435-Y437 HydrophobicContact CG2-CD1 4.44Å; T435-Y437 HydrophobicContact CG2-CD2 4.11Å; T435-Y437 HydrophobicContact CG2-CE1 3.99Å; T435-Y437 HydrophobicContact CG2-CE2 3.61Å; T435-Y437 HydrophobicContact CG2-CG 4.49Å; T435-L450 HydrophobicContact CG2-CB 4.04Å; T435-L450 HydrophobicContact CG2-CD1 4.02Å; T435-L450 HydrophobicContact CG2-CG 4.48Å; T435-I451 WeakPolarHBondContact CG2-O 3.11Å
436L88.7Confident83.7Confident1 Ų151.6 Ų51.61%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-104.5105.1172.1-179.769.6000109.5F429 L431 L450 I451 V453 F482 W493 L497F429-L436 HydrophobicContact CB-CD1 4.03Å; F429-L436 HydrophobicContact CD1-CD1 3.98Å; F429-L436 HydrophobicContact CD1-CD2 3.87Å; F429-L436 HydrophobicContact CD1-CG 3.81Å; F429-L436 HydrophobicContact CE1-CD2 4.33Å; F429-L436 HydrophobicContact CG-CD1 4.5Å; L431-L436 HydrophobicContact CB-CD1 3.97Å; L431-L436 HydrophobicContact CD1-CB 4.05Å; L431-L436 HydrophobicContact CD1-CD1 4.32Å; L436-L450 VanDerWaalsContact O-CA 3.32Å; L436-L450 WeakPolarHBondContact O-CA 3.48Å; L436-I451 HydrophobicContact CB-CG1 4.14Å; L436-I451 HydrophobicContact CD2-CD1 4.28Å; L436-I451 HydrophobicContact CD2-CG1 4.36Å; L436-I451 PolarHBondContact N-O 3.24Å; L436-I451 PolarHBondContact O-N 3.21Å; L436-V453 HydrophobicContact CB-CG2 3.27Å; L436-V453 HydrophobicContact CD2-CG2 4.05Å; L436-V453 HydrophobicContact CG-CG2 4.26Å; L436-F482 HydrophobicContact CD2-CZ 4.34Å; L436-W493 HydrophobicContact CD1-CH2 3.97Å; L436-W493 HydrophobicContact CD1-CZ3 3.66Å; L436-L497 HydrophobicContact CD2-CD2 4.43Å
437Y86.7Confident83.1Confident40 Ų4047 Ų4716%0.15722%0.219CC..EExtended strand (participates in β ladder)trans-86.3149174.5-56.3-95.6000109.5V396 L401 F429 V430 T435 A447 L450V396-Y437 HydrophobicContact CG1-CD1 4.23Å; V396-Y437 HydrophobicContact CG1-CE1 4.01Å; L401-Y437 HydrophobicContact CD1-CD2 3.65Å; L401-Y437 HydrophobicContact CD1-CE2 4.12Å; L401-Y437 HydrophobicContact CD1-CG 3.9Å; L401-Y437 HydrophobicContact CD2-CD2 4.26Å; L401-Y437 HydrophobicContact CD2-CE1 4.45Å; L401-Y437 HydrophobicContact CD2-CE2 3.87Å; F429-Y437 WeakPolarHBondContact CA-O 3.23Å; V430-Y437 PolarHBondContact N-O 3.13Å; V430-Y437 PolarHBondContact O-N 3.21Å; T435-Y437 HydrophobicContact CG2-CD1 4.44Å; T435-Y437 HydrophobicContact CG2-CD2 4.11Å; T435-Y437 HydrophobicContact CG2-CE1 3.99Å; T435-Y437 HydrophobicContact CG2-CE2 3.61Å; T435-Y437 HydrophobicContact CG2-CG 4.49Å; Y437-A447 HydrophobicContact CD1-CB 4.49Å; Y437-L450 HydrophobicContact CD1-CB 3.79Å; Y437-L450 HydrophobicContact CD1-CD2 3.96Å; Y437-L450 HydrophobicContact CE1-CB 4.21Å; Y437-L450 HydrophobicContact CE1-CD2 3.73Å; Y437-L450 HydrophobicContact CG-CB 4.34Å
438W89.3Confident82.5Confident3 Ų349.5 Ų49.51%0.01123%0.231CC..EExtended strand (participates in β ladder)trans-130.9149164.66686.3000114.3L412 C427 W428 F429 A447 E448 G449 I451 F480 Y519L412-W438 HydrophobicContact CD2-CZ2 4.39Å; C427-W438 HydrophobicContact CB-CB 4.11Å; C427-W438 HydrophobicContact CB-CG 4.45Å; W428-W438 CarbonylContact O-C 3.55Å; W428-W438 WeakPolarHBondContact O-CA 3.38Å; F429-W438 HydrophobicContact CD1-CB 3.68Å; F429-W438 HydrophobicContact CD1-CE3 4.41Å; F429-W438 HydrophobicContact CD2-CB 4.41Å; F429-W438 HydrophobicContact CE1-CB 3.49Å; F429-W438 VanDerWaalsContact CE1-CB 3.49Å; F429-W438 AromaticContact CE1-CD2 3.97Å; F429-W438 HydrophobicContact CE1-CD2 3.97Å; F429-W438 AromaticContact CE1-CE3 3.73Å; F429-W438 HydrophobicContact CE1-CE3 3.73Å; F429-W438 AromaticContact CE1-CG 3.92Å; F429-W438 HydrophobicContact CE1-CG 3.92Å; F429-W438 HydrophobicContact CE2-CB 4.27Å; F429-W438 HydrophobicContact CG-CB 4.14Å; F429-W438 HydrophobicContact CZ-CB 3.79Å; F429-W438 HydrophobicContact CZ-CD2 4.4Å; F429-W438 HydrophobicContact CZ-CG 4.11Å; W438-A447 CarbonylContact O-C 3.5Å; W438-A447 WeakPolarHBondContact O-CA 3.33Å; W438-E448 PolarHBondContact O-N 3.43Å; W438-G449 PolarHBondContact N-O 3.3Å; W438-G449 PolarHBondContact O-N 3.38Å; W438-I451 HydrophobicContact CH2-CG2 3.99Å; W438-I451 HydrophobicContact CZ3-CB 4.36Å; W438-I451 HydrophobicContact CZ3-CD1 4.45Å; W438-I451 HydrophobicContact CZ3-CG1 4.08Å; W438-I451 HydrophobicContact CZ3-CG2 3.89Å; W438-F480 HydrophobicContact CH2-CD1 4.29Å; W438-F480 AromaticContact CH2-CE1 3.68Å; W438-F480 HydrophobicContact CH2-CE1 3.68Å; W438-F480 HydrophobicContact CH2-CZ 4.38Å; W438-F480 HydrophobicContact CZ2-CE1 4.35Å; W438-F480 HydrophobicContact CZ3-CE1 4.45Å; W438-Y519 HydrophobicContact CH2-CD2 4.42Å; W438-Y519 AromaticContact CH2-CE2 3.64Å; W438-Y519 HydrophobicContact CH2-CE2 3.64Å; W438-Y519 AromaticContact CZ2-CE2 3.92Å; W438-Y519 HydrophobicContact CZ2-CE2 3.92Å
439Y86.4Confident82Confident0 Ų048 Ų480%023%0.226CC..EExtended strand (participates in β ladder)trans-131.3160.6-173.8-57.6-89.5000109V396 C398 L401 C427 W428 V430 Q441 D444 A447V396-Y439 WeakPolarHBondContact O-CE1 3.39Å; C398-Y439 HydrophobicContact CB-CD1 4.08Å; C398-Y439 HydrophobicContact CB-CD2 4.18Å; C398-Y439 HydrophobicContact CB-CE1 3.79Å; C398-Y439 HydrophobicContact CB-CE2 3.94Å; C398-Y439 HydrophobicContact CB-CG 4.26Å; L401-Y439 HydrophobicContact CD1-CE2 4.32Å; L401-Y439 VanDerWaalsContact CD1-OH 3.28Å; L401-Y439 WeakPolarHBondContact CD1-OH 2.92Å; C427-Y439 CarbonylContact C-O 3.59Å; C427-Y439 WeakPolarHBondContact CA-O 3.32Å; C427-Y439 WeakPolarHBondContact CB-O 3.49Å; W428-Y439 PolarHBondContact N-O 3.08Å; W428-Y439 PolarHBondContact O-N 2.81Å; V430-Y439 HydrophobicContact CB-CE2 4.34Å; V430-Y439 HydrophobicContact CG2-CD2 4.19Å; V430-Y439 HydrophobicContact CG2-CE2 4.04Å; Y439-Q441 VanDerWaalsContact CB-O 3.28Å; Y439-Q441 WeakPolarHBondContact CB-O 3.37Å; Y439-D444 HydrophobicContact CD1-CB 3.74Å; Y439-D444 HydrophobicContact CG-CB 4.36Å; Y439-A447 HydrophobicContact CD1-CB 4.21Å; Y439-A447 VanDerWaalsContact CE1-CA 3.42Å; Y439-A447 HydrophobicContact CE1-CB 3.72Å; Y439-A447 VanDerWaalsContact CE1-N 3.31Å
440R83.2Confident81.5Confident179 Ų17950.2 Ų50.268%0.67524%0.238SC*.SBendtrans-76.3-35.1172.2-153.7167.8-178.1157.3-8.4109.9D444 E448R440-D444 WeakPolarHBondContact CA-OD2 3.2Å; R440-D444 VanDerWaalsContact CB-OD2 3.31Å; R440-D444 WeakPolarHBondContact CB-OD2 3.09Å; R440-D444 PolarHBondContact N-OD2 3.2Å; R440-E448 WeakPolarHBondContact CB-OE1 3.42Å; R440-E448 WeakPolarHBondContact CD-OE1 3.47Å; R440-E448 WeakPolarHBondContact CG-OE1 3.48Å
441Q79.4Confident81.1Confident116 Ų11649.9 Ų49.954%0.54224%0.236SC..SBendtrans-140.6154.9173.6-60.5-170.6-13.100111.9Y439 Q443 D444Y439-Q441 VanDerWaalsContact CB-O 3.28Å; Y439-Q441 WeakPolarHBondContact CB-O 3.37Å; Q441-Q443 PolarHBondContact O-N 3.07Å; Q441-D444 PolarHBondContact N-OD2 2.95Å; Q441-D444 WeakPolarHBondContact O-CB 3.32Å; Q441-D444 VanDerWaalsContact O-CG 3.24Å; Q441-D444 PolarHBondContact O-N 2.85Å
442P78.4Confident80.9Confident31 Ų3150.8 Ų50.820%0.20124%0.241CC..THydrogen-bonded Turntrans-64.6-7.2-178.8-15.226.1000115.4C398 W409 W428C398-P442 PolarHBondContact SG-O 3.19Å; C398-P442 VanDerWaalsContact SG-O 3.34Å; W409-P442 HydrophobicContact CZ2-CG 4.18Å; W428-P442 HydrophobicContact CB-CG 4.26Å; W428-P442 HydrophobicContact CD2-CB 3.99Å; W428-P442 HydrophobicContact CD2-CG 3.6Å; W428-P442 HydrophobicContact CE3-CG 3.97Å; W428-P442 HydrophobicContact CG-CB 3.96Å; W428-P442 HydrophobicContact CG-CG 3.73Å; W428-P442 HydrophobicContact CZ2-CB 4.33Å; W428-P442 HydrophobicContact CZ2-CG 4.38Å
443Q76.6Confident80.9Confident103 Ų10347 Ų4748%0.48122%0.224SC..THydrogen-bonded Turntrans-103.3-1.9-178.5-67.175.231.500113.2Q441Q441-Q443 PolarHBondContact O-N 3.07Å
444D75.6Confident80.5Confident41 Ų4146 Ų4622%0.21921%0.214CC..  trans-63.8134.6-174.7-69.3-14.3000112.7C398 Y439 R440 Q441 K446C398-D444 PolarHBondContact N-O 3.09Å; Y439-D444 HydrophobicContact CD1-CB 3.74Å; Y439-D444 HydrophobicContact CG-CB 4.36Å; R440-D444 WeakPolarHBondContact CA-OD2 3.2Å; R440-D444 VanDerWaalsContact CB-OD2 3.31Å; R440-D444 WeakPolarHBondContact CB-OD2 3.09Å; R440-D444 PolarHBondContact N-OD2 3.2Å; Q441-D444 PolarHBondContact N-OD2 2.95Å; Q441-D444 WeakPolarHBondContact O-CB 3.32Å; Q441-D444 VanDerWaalsContact O-CG 3.24Å; Q441-D444 PolarHBondContact O-N 2.85Å; D444-K446 VanDerWaalsContact C-N 3.29Å; D444-K446 PolarHBondContact O-N 3.01Å
445E68.9Low80.3Confident137 Ų13742.5 Ų42.564%0.6420%0.199SC*.SBendtrans-82.3-3.8177.6-61.9-176.2163.700113.5R395 V396 S397R395-E445 WeakPolarHBondContact CB-O 3.12Å; V396-E445 CarbonylContact C-O 3.46Å; V396-E445 CarbonylContact O-C 3.59Å; S397-E445 WeakPolarHBondContact CA-O 3.45Å; S397-E445 PolarHBondContact N-O 3.37Å
446K75.2Confident80.1Confident84 Ų8441.9 Ų41.937%0.36519%0.194SC..SBendtrans-141.2126.5176.4-171.4-151.7167.3-167.20109.5R395 V396 D444 T522R395-K446 HydrophobicContact CB-CB 4.15Å; R395-K446 HydrophobicContact CB-CG 4.24Å; R395-K446 HydrophobicContact CG-CB 4.28Å; R395-K446 HydrophobicContact CG-CG 4.22Å; V396-K446 CarbonylContact O-C 3.59Å; V396-K446 VanDerWaalsContact O-CA 3.27Å; V396-K446 WeakPolarHBondContact O-CA 3.27Å; D444-K446 VanDerWaalsContact C-N 3.29Å; D444-K446 PolarHBondContact O-N 3.01Å; K446-T522 WeakPolarHBondContact CE-OG1 3.48Å; K446-T522 PolarHBondContact NZ-OG1 3.3Å
447A77.9Confident79.8Confident10 Ų1044.8 Ų44.88%0.08322%0.215CC..  trans-58138.1166.300000111.4V396 Y437 W438 Y439 G449V396-A447 PolarHBondContact O-N 3.48Å; Y437-A447 HydrophobicContact CD1-CB 4.49Å; W438-A447 CarbonylContact O-C 3.5Å; W438-A447 WeakPolarHBondContact O-CA 3.33Å; Y439-A447 HydrophobicContact CD1-CB 4.21Å; Y439-A447 VanDerWaalsContact CE1-CA 3.42Å; Y439-A447 HydrophobicContact CE1-CB 3.72Å; Y439-A447 VanDerWaalsContact CE1-N 3.31Å; A447-G449 VanDerWaalsContact C-N 3.26Å
448E77.7Confident80Confident53 Ų5344.8 Ų44.825%0.24822%0.217CC..SBendtrans-70.4-28.4167.3-88.4-151.7-143.400111.3R425 W438 R440R425-E448 IonicContact CZ-OE2 2.66Å; R425-E448 IonicContact NH1-OE1 2.7Å; R425-E448 IonicContact NH1-OE2 3.54Å; R425-E448 PolarHBondContact NH1-OE2 3.34Å; R425-E448 IonicContact NH2-OE2 3.59Å; R425-E448 PolarHBondContact NH2-OE2 3.07Å; W438-E448 PolarHBondContact O-N 3.43Å; R440-E448 WeakPolarHBondContact CB-OE1 3.42Å; R440-E448 WeakPolarHBondContact CD-OE1 3.47Å; R440-E448 WeakPolarHBondContact CG-OE1 3.48Å
449G77.1Confident79.9Confident5 Ų548.9 Ų48.95%0.05224%0.236CC..EExtended strand (participates in β ladder)trans-175174.9173.200000111.1W438 A447W438-G449 PolarHBondContact N-O 3.3Å; W438-G449 PolarHBondContact O-N 3.38Å; A447-G449 VanDerWaalsContact C-N 3.26Å
450L82.5Confident79.6Confident46 Ų4654.3 Ų54.324%0.24128%0.275CS..EExtended strand (participates in β ladder)trans-147.9154.5175.162.588.3000109.1T435 L436 Y437 Y519T435-L450 HydrophobicContact CG2-CB 4.04Å; T435-L450 HydrophobicContact CG2-CD1 4.02Å; T435-L450 HydrophobicContact CG2-CG 4.48Å; L436-L450 VanDerWaalsContact O-CA 3.32Å; L436-L450 WeakPolarHBondContact O-CA 3.48Å; Y437-L450 HydrophobicContact CD1-CB 3.79Å; Y437-L450 HydrophobicContact CD1-CD2 3.96Å; Y437-L450 HydrophobicContact CE1-CB 4.21Å; Y437-L450 HydrophobicContact CE1-CD2 3.73Å; Y437-L450 HydrophobicContact CG-CB 4.34Å; L450-Y519 WeakPolarHBondContact O-CD2 3.4Å
451I82.7Confident79.3Confident0 Ų046.5 Ų46.50%025%0.25CC..EExtended strand (participates in β ladder)trans-133.8149.8165.656.1-175.6000109.5T435 L436 W438 V453 L472 F480 F482 Y519T435-I451 WeakPolarHBondContact CG2-O 3.11Å; L436-I451 HydrophobicContact CB-CG1 4.14Å; L436-I451 HydrophobicContact CD2-CD1 4.28Å; L436-I451 HydrophobicContact CD2-CG1 4.36Å; L436-I451 PolarHBondContact N-O 3.24Å; L436-I451 PolarHBondContact O-N 3.21Å; W438-I451 HydrophobicContact CH2-CG2 3.99Å; W438-I451 HydrophobicContact CZ3-CB 4.36Å; W438-I451 HydrophobicContact CZ3-CD1 4.45Å; W438-I451 HydrophobicContact CZ3-CG1 4.08Å; W438-I451 HydrophobicContact CZ3-CG2 3.89Å; I451-V453 HydrophobicContact CG1-CG2 4.45Å; I451-L472 HydrophobicContact CD1-CD1 3.78Å; I451-F480 HydrophobicContact CD1-CB 4.28Å; I451-F480 HydrophobicContact CD1-CD1 4.43Å; I451-F480 HydrophobicContact CD1-CD2 4.21Å; I451-F480 HydrophobicContact CD1-CG 4.06Å; I451-F480 HydrophobicContact CG2-CD1 4.44Å; I451-F480 HydrophobicContact CG2-CD2 4.11Å; I451-F480 HydrophobicContact CG2-CE1 3.98Å; I451-F480 HydrophobicContact CG2-CE2 3.61Å; I451-F480 HydrophobicContact CG2-CZ 3.54Å; I451-F482 HydrophobicContact CD1-CZ 4.06Å; I451-Y519 HydrophobicContact CG2-CD2 4.13Å
452N82.5Confident78.8Confident20 Ų2049.4 Ų49.411%0.10726%0.263CS..EExtended strand (participates in β ladder)trans-83.1118.8168.6-165.314.3000109.7H434 S454 N455 Y456H434-N452 WeakPolarHBondContact CB-OD1 3.38Å; H434-N452 VanDerWaalsContact CG-OD1 3.26Å; H434-N452 PolarHBondContact O-OD1 3.02Å; H434-N452 VanDerWaalsContact O-OD1 3.14Å; N452-S454 PolarHBondContact OD1-OG 3.44Å; N452-N455 HydrophobicContact CB-CB 4.37Å; N452-N455 PolarHBondContact ND2-ND2 3Å; N452-N455 PolarHBondContact ND2-OD1 3.16Å; N452-N455 VanDerWaalsContact ND2-OD1 3.09Å; N452-Y456 VanDerWaalsContact O-CD2 3.29Å; N452-Y456 WeakPolarHBondContact O-CD2 3.42Å
453V84.3Confident78.9Confident0 Ų049.3 Ų49.30%026%0.261CS..SBendtrans-83-32.9-171.2176.80000112.7L431 H434 L436 I451 N455 Y456 L472 L497 I501L431-V453 HydrophobicContact CD1-CB 4.24Å; L431-V453 HydrophobicContact CD1-CG2 3.88Å; H434-V453 WeakPolarHBondContact O-CB 3.25Å; H434-V453 PolarHBondContact O-N 3.38Å; L436-V453 HydrophobicContact CB-CG2 3.27Å; L436-V453 HydrophobicContact CD2-CG2 4.05Å; L436-V453 HydrophobicContact CG-CG2 4.26Å; I451-V453 HydrophobicContact CG1-CG2 4.45Å; V453-N455 PolarHBondContact O-N 3.28Å; V453-Y456 PolarHBondContact O-N 2.89Å; V453-Y456 VanDerWaalsContact O-N 3.07Å; V453-L472 HydrophobicContact CG1-CD1 4.21Å; V453-L472 HydrophobicContact CG1-CD2 4.3Å; V453-L472 HydrophobicContact CG2-CD1 4.13Å; V453-L497 HydrophobicContact CB-CD2 4.44Å; V453-L497 HydrophobicContact CG1-CB 4.34Å; V453-L497 HydrophobicContact CG1-CD2 3.6Å; V453-L497 HydrophobicContact CG2-CD2 4.05Å; V453-I501 HydrophobicContact CG1-CD1 4.09Å; V453-I501 HydrophobicContact CG1-CG1 3.87Å; V453-I501 WeakPolarHBondContact O-CG1 3.44Å
454S73.8Confident78.6Confident0 Ų053.4 Ų53.40%028%0.28CS..THydrogen-bonded Turntrans-56.3-24.5176.154.30000113N452 Q505 Q662N452-S454 PolarHBondContact OD1-OG 3.44Å; S454-Q505 WeakPolarHBondContact O-CG 3.47Å; S454-Q505 PolarHBondContact O-NE2 3.07Å; S454-Q505 VanDerWaalsContact O-NE2 3.17Å; S454-Q662 PolarHBondContact O-OE1 3.29Å
455N73.9Confident78.5Confident6 Ų660.5 Ų60.53%0.03231%0.309CS..THydrogen-bonded Turntrans-92.53.6-173.5-62.616.4000112.8N452 V453 H474 Q662 E663N452-N455 HydrophobicContact CB-CB 4.37Å; N452-N455 PolarHBondContact ND2-ND2 3Å; N452-N455 PolarHBondContact ND2-OD1 3.16Å; N452-N455 VanDerWaalsContact ND2-OD1 3.09Å; V453-N455 PolarHBondContact O-N 3.28Å; N455-H474 PolarHBondContact O-CD2 3.36Å; N455-Q662 HydrophobicContact CB-CB 4.45Å; N455-Q662 PolarHBondContact ND2-O 3.31Å; N455-Q662 WeakPolarHBondContact OD1-CB 3.46Å; N455-Q662 VanDerWaalsContact OD1-CD 3.31Å; N455-Q662 WeakPolarHBondContact OD1-CG 3.31Å; N455-E663 VanDerWaalsContact CB-CD 3.46Å; N455-E663 HydrophobicContact CB-CG 3.76Å; N455-E663 WeakPolarHBondContact CB-OE1 3.03Å; N455-E663 WeakPolarHBondContact ND2-CA 3.31Å; N455-E663 PolarHBondContact ND2-N 3.49Å; N455-E663 PolarHBondContact ND2-OE1 2.84Å
456Y81.3Confident79.1Confident4 Ų457.5 Ų57.52%0.01629%0.294CS..SBendtrans-124.4136.2176.7-78.2-110.5000110.9N452 V453 L472 T473 H474 Y477 F480 I501 E663N452-Y456 VanDerWaalsContact O-CD2 3.29Å; N452-Y456 WeakPolarHBondContact O-CD2 3.42Å; V453-Y456 PolarHBondContact O-N 2.89Å; V453-Y456 VanDerWaalsContact O-N 3.07Å; Y456-L472 HydrophobicContact CD1-CB 3.88Å; Y456-L472 HydrophobicContact CG-CB 4.1Å; Y456-T473 CarbonylContact C-O 3.06Å; Y456-T473 WeakPolarHBondContact CA-O 3.27Å; Y456-H474 HydrophobicContact CD1-CB 3.76Å; Y456-H474 HydrophobicContact CE1-CB 3.76Å; Y456-H474 HydrophobicContact CG-CB 4.19Å; Y456-Y477 WeakPolarHBondContact OH-CB 3.37Å; Y456-F480 AromaticContact CE1-CD2 3.92Å; Y456-F480 HydrophobicContact CE1-CD2 3.92Å; Y456-F480 HydrophobicContact CE1-CE2 4.27Å; Y456-I501 WeakPolarHBondContact O-CD1 3.45Å; Y456-E663 VanDerWaalsContact CE2-OE2 3.28Å; Y456-E663 WeakPolarHBondContact CE2-OE2 3.3Å
457S83.1Confident79.2Confident63 Ų6361.4 Ų61.444%0.44131%0.311SS..EExtended strand (participates in β ladder)trans-69.2138.1168.7-73.20000110.5L472 T473S457-L472 CarbonylContact O-C 3.59Å; S457-L472 WeakPolarHBondContact O-CA 3.28Å; S457-T473 PolarHBondContact N-O 2.93Å; S457-T473 PolarHBondContact O-N 3.48Å; S457-T473 PolarHBondContact O-OG1 3.29Å
458L89.4Confident79.6Confident40 Ų4065.5 Ų65.521%0.20933%0.325CS..EExtended strand (participates in β ladder)trans-102113.5178.5-177.374.2000111.2F470 L472 V494 L497 I498 I501L458-F470 HydrophobicContact CD1-CD2 3.68Å; L458-F470 HydrophobicContact CD1-CE2 4.39Å; L458-L472 HydrophobicContact CB-CD2 4.02Å; L458-L472 HydrophobicContact CD1-CD2 3.63Å; L458-L472 HydrophobicContact CD1-CG 4.2Å; L458-L472 HydrophobicContact CG-CD2 4.42Å; L458-V494 HydrophobicContact CD2-CB 4.18Å; L458-V494 HydrophobicContact CD2-CG1 3.88Å; L458-V494 HydrophobicContact CD2-CG2 4.18Å; L458-L497 HydrophobicContact CD1-CD1 4.22Å; L458-L497 HydrophobicContact CD2-CB 4.07Å; L458-I498 HydrophobicContact CD2-CD1 4.19Å; L458-I498 HydrophobicContact CD2-CG1 3.67Å; L458-I501 HydrophobicContact CB-CD1 3.82Å
459E88.8Confident80.2Confident88 Ų8863.6 Ų63.641%0.41132%0.316SS..EExtended strand (participates in β ladder)trans-113.3153.7-179.8-70.4171.3-150.800112.9G461 F470 Q471 T473E459-G461 PolarHBondContact O-N 3.4Å; E459-F470 WeakPolarHBondContact O-CA 3.5Å; E459-Q471 HydrophobicContact CB-CG 3.78Å; E459-Q471 PolarHBondContact N-O 2.9Å; E459-Q471 PolarHBondContact O-N 2.61Å; E459-Q471 PolarHBondContact OE2-NE2 2.92Å; E459-T473 WeakPolarHBondContact OE1-CB 3.44Å; E459-T473 WeakPolarHBondContact OE1-CG2 3.4Å; E459-T473 PolarHBondContact OE1-OG1 3.41Å
460S78.9Confident80.8Confident115 Ų11563.5 Ų63.580%0.80432%0.315SS*.EExtended strand (participates in β ladder)trans-71.7113.5165.4570000110.3
461G77.6Confident81.2Confident15 Ų1563.1 Ų63.116%0.15531%0.312CS..  trans-89.2157.117800000112E459 V469E459-G461 PolarHBondContact O-N 3.4Å; G461-V469 PolarHBondContact N-O 3.23Å; G461-V469 VanDerWaalsContact N-O 3.16Å; G461-V469 VanDerWaalsContact O-O 3.12Å
462H69.8Low81.5Confident177 Ų17763.1 Ų63.182%0.81931%0.312SS*.  trans-130.1130.7176.2-164.282.4000111.2
463D80.5Confident81.4Confident29 Ų2963.2 Ų63.216%0.15531%0.313CS..  trans-138.7140.2174.7-174.1-89.8000110.2R413 W424 K465 K466 V469R413-D463 IonicContact CZ-OD2 2.79Å; R413-D463 IonicContact NH1-OD2 3.41Å; R413-D463 PolarHBondContact NH1-OD2 3.34Å; R413-D463 IonicContact NH2-OD2 3.67Å; W424-D463 HydrophobicContact CZ2-CB 4.39Å; D463-K465 PolarHBondContact O-N 2.95Å; D463-K465 WeakPolarHBondContact OD1-CA 3.43Å; D463-K465 PolarHBondContact OD1-N 3.09Å; D463-K466 HydrophobicContact CB-CB 4.31Å; D463-K466 VanDerWaalsContact O-O 3.09Å; D463-K466 PolarHBondContact OD1-N 3.05Å; D463-V469 HydrophobicContact CB-CG2 4.02Å
464Q68.9Low80.9Confident189 Ų18964.1 Ų64.188%0.88332%0.317SS*.SBendtrans-70.2-14.3-176.7-65.3178.4-12.500113.9
465K73.5Confident80.1Confident190 Ų19071.6 Ų71.683%0.82636%0.357SS*.SBendtrans-122.7-16.4-174.1-62.5-178.2-179.3178.80113.6D463D463-K465 PolarHBondContact O-N 2.95Å; D463-K465 WeakPolarHBondContact OD1-CA 3.43Å; D463-K465 PolarHBondContact OD1-N 3.09Å
466K80.9Confident79.2Confident74 Ų7474 Ų7432%0.32237%0.372SS..  trans-117.9131174.2-72.9-64.3-171.1172.40111L411 W424 D463 V469 A483L411-K466 HydrophobicContact CD1-CD 4.43Å; W424-K466 HydrophobicContact CD2-CG 4.25Å; W424-K466 HydrophobicContact CZ2-CB 4.13Å; W424-K466 HydrophobicContact CZ2-CG 3.97Å; D463-K466 HydrophobicContact CB-CB 4.31Å; D463-K466 VanDerWaalsContact O-O 3.09Å; D463-K466 PolarHBondContact OD1-N 3.05Å; K466-V469 HydrophobicContact CB-CG2 3.71Å; K466-V469 VanDerWaalsContact O-CG2 3.25Å; K466-V469 WeakPolarHBondContact O-CG2 3.44Å; K466-A483 HydrophobicContact CB-CB 4.2Å; K466-A483 HydrophobicContact CG-CB 4.46Å
467K77.4Confident78.5Confident166 Ų16675.7 Ų75.772%0.72238%0.378SS*.SBendtrans-89165.7168.1-61.8-174.2179.5-175.30109.2V469K467-V469 VanDerWaalsContact C-N 3.34Å; K467-V469 PolarHBondContact O-N 3Å
468Y87.9Confident78Confident96 Ų9677.3 Ų77.338%0.37638%0.378SS..SBendtrans56.445.8177.3-43.2-52.4000113.2A483 A484 L487 L490Y468-A483 WeakPolarHBondContact O-CA 3.48Å; Y468-A484 PolarHBondContact O-N 3.03Å; Y468-L487 HydrophobicContact CD1-CB 4.06Å; Y468-L487 HydrophobicContact CD1-CD1 4.12Å; Y468-L487 HydrophobicContact CE1-CB 3.74Å; Y468-L487 HydrophobicContact CE1-CD1 4.24Å; Y468-L487 HydrophobicContact CE1-CG 4.44Å; Y468-L490 HydrophobicContact CD1-CD2 4.33Å
469V90.2Very high77.6Confident12 Ų1278.4 Ų78.47%0.07339%0.387CS..EExtended strand (participates in β ladder)trans-91.1139-179.5-178.80000109.7W424 G461 D463 K466 K467 I481 F482 A483W424-V469 HydrophobicContact CH2-CG1 4.3Å; W424-V469 HydrophobicContact CH2-CG2 4.43Å; G461-V469 PolarHBondContact N-O 3.23Å; G461-V469 VanDerWaalsContact N-O 3.16Å; G461-V469 VanDerWaalsContact O-O 3.12Å; D463-V469 HydrophobicContact CB-CG2 4.02Å; K466-V469 HydrophobicContact CB-CG2 3.71Å; K466-V469 VanDerWaalsContact O-CG2 3.25Å; K466-V469 WeakPolarHBondContact O-CG2 3.44Å; K467-V469 VanDerWaalsContact C-N 3.34Å; K467-V469 PolarHBondContact O-N 3Å; V469-I481 HydrophobicContact CG1-CG2 3.7Å; V469-F482 VanDerWaalsContact CA-O 3.29Å; V469-F482 WeakPolarHBondContact CA-O 3.05Å; V469-F482 WeakPolarHBondContact CG1-O 3.23Å; V469-A483 HydrophobicContact CG2-CB 4.05Å
470F89.3Confident77.5Confident3 Ų374.5 Ų74.51%0.01337%0.369CS..EExtended strand (participates in β ladder)trans-140.5158.717261.2-81.1000108.6L410 L458 E459 F482 A484 L490 W493 L497L410-F470 HydrophobicContact CD1-CZ 3.74Å; L410-F470 HydrophobicContact CD2-CE1 3.9Å; L410-F470 HydrophobicContact CD2-CZ 3.88Å; L410-F470 HydrophobicContact CG-CZ 4.47Å; L458-F470 HydrophobicContact CD1-CD2 3.68Å; L458-F470 HydrophobicContact CD1-CE2 4.39Å; E459-F470 WeakPolarHBondContact O-CA 3.5Å; F470-F482 HydrophobicContact CD1-CB 4.04Å; F470-F482 HydrophobicContact CD2-CB 4Å; F470-F482 AromaticContact CD2-CD2 3.97Å; F470-F482 HydrophobicContact CD2-CD2 3.97Å; F470-F482 HydrophobicContact CD2-CG 4.37Å; F470-F482 HydrophobicContact CE1-CB 3.72Å; F470-F482 HydrophobicContact CE2-CB 3.66Å; F470-F482 AromaticContact CE2-CD2 3.69Å; F470-F482 HydrophobicContact CE2-CD2 3.69Å; F470-F482 AromaticContact CE2-CG 3.85Å; F470-F482 HydrophobicContact CE2-CG 3.85Å; F470-F482 HydrophobicContact CG-CB 4.22Å; F470-F482 HydrophobicContact CZ-CB 3.54Å; F470-F482 HydrophobicContact CZ-CD2 4.38Å; F470-F482 HydrophobicContact CZ-CG 4.07Å; F470-F482 PolarHBondContact N-O 2.84Å; F470-F482 PolarHBondContact O-N 2.77Å; F470-A484 HydrophobicContact CE1-CB 4.43Å; F470-L490 HydrophobicContact CB-CD1 4.04Å; F470-L490 HydrophobicContact CD1-CD1 3.27Å; F470-L490 HydrophobicContact CE1-CD1 3.91Å; F470-L490 HydrophobicContact CG-CD1 3.96Å; F470-W493 HydrophobicContact CZ-CB 4.09Å; F470-L497 HydrophobicContact CD2-CD1 4.33Å; F470-L497 HydrophobicContact CE2-CD1 3.57Å; F470-L497 HydrophobicContact CZ-CD1 4.26Å
471Q91.4Very high78Confident39 Ų3970.6 Ų70.618%0.18234%0.339CS..EExtended strand (participates in β ladder)trans-134.2140.3177.662.2-171.419.900110.8E459 T473 F480 I481E459-Q471 HydrophobicContact CB-CG 3.78Å; E459-Q471 PolarHBondContact N-O 2.9Å; E459-Q471 PolarHBondContact O-N 2.61Å; E459-Q471 PolarHBondContact OE2-NE2 2.92Å; Q471-T473 HydrophobicContact CG-CG2 3.97Å; Q471-F480 WeakPolarHBondContact CA-O 3.26Å; Q471-I481 HydrophobicContact CB-CB 4.38Å; Q471-I481 HydrophobicContact CB-CG1 3.96Å; Q471-I481 HydrophobicContact CB-CG2 4.44Å
472L87.6Confident78.8Confident0 Ų069.9 Ų69.90%033%0.331CS..EExtended strand (participates in β ladder)trans-91111.8162-73.2176.3000106.6I451 V453 Y456 S457 L458 P479 F480 F482 I501I451-L472 HydrophobicContact CD1-CD1 3.78Å; V453-L472 HydrophobicContact CG1-CD1 4.21Å; V453-L472 HydrophobicContact CG1-CD2 4.3Å; V453-L472 HydrophobicContact CG2-CD1 4.13Å; Y456-L472 HydrophobicContact CD1-CB 3.88Å; Y456-L472 HydrophobicContact CG-CB 4.1Å; S457-L472 CarbonylContact O-C 3.59Å; S457-L472 WeakPolarHBondContact O-CA 3.28Å; L458-L472 HydrophobicContact CB-CD2 4.02Å; L458-L472 HydrophobicContact CD1-CD2 3.63Å; L458-L472 HydrophobicContact CD1-CG 4.2Å; L458-L472 HydrophobicContact CG-CD2 4.42Å; L472-P479 CarbonylContact O-C 3.59Å; L472-P479 VanDerWaalsContact O-CA 3.26Å; L472-P479 WeakPolarHBondContact O-CA 3.31Å; L472-F480 PolarHBondContact N-O 3.16Å; L472-F480 PolarHBondContact O-N 2.98Å; L472-F482 HydrophobicContact CB-CE2 4.13Å; L472-F482 HydrophobicContact CD1-CE2 3.83Å; L472-F482 HydrophobicContact CD1-CZ 4.37Å; L472-F482 HydrophobicContact CG-CE2 3.98Å; L472-I501 HydrophobicContact CD2-CD1 4.35Å
473T81.1Confident79.9Confident21 Ų2161.5 Ų61.513%0.12929%0.292CS..EExtended strand (participates in β ladder)trans-103.9149.4177.536.20000110.3Y456 S457 E459 Q471 P479Y456-T473 CarbonylContact C-O 3.06Å; Y456-T473 WeakPolarHBondContact CA-O 3.27Å; S457-T473 PolarHBondContact N-O 2.93Å; S457-T473 PolarHBondContact O-N 3.48Å; S457-T473 PolarHBondContact O-OG1 3.29Å; E459-T473 WeakPolarHBondContact OE1-CB 3.44Å; E459-T473 WeakPolarHBondContact OE1-CG2 3.4Å; E459-T473 PolarHBondContact OE1-OG1 3.41Å; Q471-T473 HydrophobicContact CG-CG2 3.97Å; T473-P479 HydrophobicContact CG2-CB 3.87Å
474H73.8Confident80.4Confident20 Ų2060.2 Ų60.29%0.09329%0.286CS..  trans-144.9144168.5-177.2-107.7000107.7N455 Y456 V476 Y477N455-H474 PolarHBondContact O-CD2 3.36Å; Y456-H474 HydrophobicContact CD1-CB 3.76Å; Y456-H474 HydrophobicContact CE1-CB 3.76Å; Y456-H474 HydrophobicContact CG-CB 4.19Å; H474-V476 PolarHBondContact ND1-N 3.07Å; H474-V476 PolarHBondContact O-N 3Å; H474-Y477 AromaticContact CE1-CD2 3.71Å; H474-Y477 AromaticContact CE1-CE2 3.86Å; H474-Y477 AromaticContact ND1-CD2 3.19Å; H474-Y477 WeakPolarHBondContact ND1-CD2 3.4Å; H474-Y477 AromaticContact ND1-CE2 3.82Å; H474-Y477 AromaticContact ND1-CG 3.74Å; H474-Y477 PolarHBondContact ND1-N 3.06Å; H474-Y477 PolarHBondContact O-N 3.38Å; H474-Y477 VanDerWaalsContact O-O 3.11Å
475D56.3Low81.2Confident157 Ų15754.8 Ų54.884%0.8426%0.263SS*.SBendtrans-69.9-23-170.1-59.4-57.9000113
476V54.9Low81.8Confident55 Ų5548.5 Ų48.533%0.33324%0.241SC..SBendtrans-101.6-26.2178-169.50000112.9H474 E636H474-V476 PolarHBondContact ND1-N 3.07Å; H474-V476 PolarHBondContact O-N 3Å; V476-E636 HydrophobicContact CG1-CG 4.11Å
477Y67.1Low82Confident41 Ų4149.6 Ų49.616%0.16125%0.249CC..SBendtrans-119.7153.1-166.4-57.1-46.8000114.6Y456 H474 P513 C518 E636 E663Y456-Y477 WeakPolarHBondContact OH-CB 3.37Å; H474-Y477 AromaticContact CE1-CD2 3.71Å; H474-Y477 AromaticContact CE1-CE2 3.86Å; H474-Y477 AromaticContact ND1-CD2 3.19Å; H474-Y477 WeakPolarHBondContact ND1-CD2 3.4Å; H474-Y477 AromaticContact ND1-CE2 3.82Å; H474-Y477 AromaticContact ND1-CG 3.74Å; H474-Y477 PolarHBondContact ND1-N 3.06Å; H474-Y477 PolarHBondContact O-N 3.38Å; H474-Y477 VanDerWaalsContact O-O 3.11Å; Y477-P513 WeakPolarHBondContact OH-CB 3.4Å; Y477-C518 HydrophobicContact CD2-CB 4.45Å; Y477-C518 HydrophobicContact CE2-CB 4.17Å; Y477-E636 PolarHBondContact OH-OE1 3.04Å; Y477-E663 HydrophobicContact CD2-CG 3.79Å; Y477-E663 WeakPolarHBondContact CD2-OE2 3.34Å; Y477-E663 HydrophobicContact CE2-CB 3.78Å; Y477-E663 HydrophobicContact CE2-CG 3.56Å
478K73.7Confident82.4Confident97 Ų9746.6 Ų46.642%0.42225%0.245SC..  trans-48119.9179.3166.6-175.9151.5-154.80111F480 E521K478-F480 VanDerWaalsContact O-CD2 3.25Å; K478-F480 WeakPolarHBondContact O-CD2 3.45Å; K478-F480 WeakPolarHBondContact O-CE2 3.47Å; K478-E521 IonicContact NZ-OE2 3.89Å; K478-E521 PolarHBondContact NZ-OE2 3Å
479P80.9Confident82.4Confident63 Ų6344.4 Ų44.441%0.40924%0.24SC..  trans-69.6139.7178.728.1-35.1000111.5L472 T473L472-P479 CarbonylContact O-C 3.59Å; L472-P479 VanDerWaalsContact O-CA 3.26Å; L472-P479 WeakPolarHBondContact O-CA 3.31Å; T473-P479 HydrophobicContact CG2-CB 3.87Å
480F85.8Confident82.3Confident5 Ų545.2 Ų45.22%0.02224%0.244CC..EExtended strand (participates in β ladder)trans-99108.1175.8-70.2-100.9000109L412 W438 I451 Y456 Q471 L472 K478 F482 Y519L412-F480 HydrophobicContact CD1-CB 4.21Å; L412-F480 HydrophobicContact CD1-CD1 3.92Å; L412-F480 HydrophobicContact CD2-CD1 4.35Å; W438-F480 HydrophobicContact CH2-CD1 4.29Å; W438-F480 AromaticContact CH2-CE1 3.68Å; W438-F480 HydrophobicContact CH2-CE1 3.68Å; W438-F480 HydrophobicContact CH2-CZ 4.38Å; W438-F480 HydrophobicContact CZ2-CE1 4.35Å; W438-F480 HydrophobicContact CZ3-CE1 4.45Å; I451-F480 HydrophobicContact CD1-CB 4.28Å; I451-F480 HydrophobicContact CD1-CD1 4.43Å; I451-F480 HydrophobicContact CD1-CD2 4.21Å; I451-F480 HydrophobicContact CD1-CG 4.06Å; I451-F480 HydrophobicContact CG2-CD1 4.44Å; I451-F480 HydrophobicContact CG2-CD2 4.11Å; I451-F480 HydrophobicContact CG2-CE1 3.98Å; I451-F480 HydrophobicContact CG2-CE2 3.61Å; I451-F480 HydrophobicContact CG2-CZ 3.54Å; Y456-F480 AromaticContact CE1-CD2 3.92Å; Y456-F480 HydrophobicContact CE1-CD2 3.92Å; Y456-F480 HydrophobicContact CE1-CE2 4.27Å; Q471-F480 WeakPolarHBondContact CA-O 3.26Å; L472-F480 PolarHBondContact N-O 3.16Å; L472-F480 PolarHBondContact O-N 2.98Å; K478-F480 VanDerWaalsContact O-CD2 3.25Å; K478-F480 WeakPolarHBondContact O-CD2 3.45Å; K478-F480 WeakPolarHBondContact O-CE2 3.47Å; F480-F482 HydrophobicContact CB-CD2 4.49Å; F480-F482 HydrophobicContact CB-CE2 3.53Å; F480-F482 HydrophobicContact CB-CZ 3.56Å; F480-F482 HydrophobicContact CG-CZ 4.46Å; F480-F482 WeakPolarHBondContact O-CD2 3.45Å; F480-F482 WeakPolarHBondContact O-CE2 3.25Å; F480-Y519 HydrophobicContact CE1-CE2 4.06Å; F480-Y519 HydrophobicContact CZ-CD1 4.48Å; F480-Y519 HydrophobicContact CZ-CD2 4.04Å; F480-Y519 HydrophobicContact CZ-CE1 4.19Å; F480-Y519 AromaticContact CZ-CE2 3.77Å; F480-Y519 HydrophobicContact CZ-CE2 3.77Å; F480-Y519 HydrophobicContact CZ-CG 4.39Å; F480-Y519 AromaticContact CZ-CZ 3.8Å
481I90.3Very high82.1Confident34 Ų3448.1 Ų48.117%0.17426%0.264CS..EExtended strand (participates in β ladder)trans-95.9120.1-178.4-51.1-179.4000109.4R413 W424 V469 Q471R413-I481 HydrophobicContact CB-CB 4.12Å; R413-I481 WeakPolarHBondContact CB-O 3.46Å; R413-I481 PolarHBondContact N-O 2.84Å; W424-I481 HydrophobicContact CH2-CG2 3.94Å; V469-I481 HydrophobicContact CG1-CG2 3.7Å; Q471-I481 HydrophobicContact CB-CB 4.38Å; Q471-I481 HydrophobicContact CB-CG1 3.96Å; Q471-I481 HydrophobicContact CB-CG2 4.44Å
482F92.7Very high82Confident0 Ų049.6 Ų49.60%027%0.272CS..EExtended strand (participates in β ladder)trans-112.2154.2-176.9-56.4-83.9000111.6L410 L411 L412 F429 L436 I451 V469 F470 L472 F480L410-F482 HydrophobicContact CD1-CD1 4.23Å; L411-F482 CarbonylContact O-C 3.35Å; L411-F482 VanDerWaalsContact O-CA 3.27Å; L411-F482 WeakPolarHBondContact O-CA 3.2Å; L412-F482 HydrophobicContact CB-CD1 4.36Å; L412-F482 HydrophobicContact CB-CE1 4.42Å; L412-F482 HydrophobicContact CD1-CD1 4.13Å; L412-F482 HydrophobicContact CD1-CE1 3.82Å; L412-F482 HydrophobicContact CD1-CZ 4.29Å; F429-F482 HydrophobicContact CD1-CE1 4.41Å; F429-F482 HydrophobicContact CE1-CD1 4.36Å; F429-F482 AromaticContact CE1-CE1 3.58Å; F429-F482 HydrophobicContact CE1-CE1 3.58Å; F429-F482 HydrophobicContact CE1-CZ 4.44Å; F429-F482 HydrophobicContact CZ-CD1 4.14Å; F429-F482 AromaticContact CZ-CE1 3.69Å; F429-F482 HydrophobicContact CZ-CE1 3.69Å; L436-F482 HydrophobicContact CD2-CZ 4.34Å; I451-F482 HydrophobicContact CD1-CZ 4.06Å; V469-F482 VanDerWaalsContact CA-O 3.29Å; V469-F482 WeakPolarHBondContact CA-O 3.05Å; V469-F482 WeakPolarHBondContact CG1-O 3.23Å; F470-F482 HydrophobicContact CD1-CB 4.04Å; F470-F482 HydrophobicContact CD2-CB 4Å; F470-F482 AromaticContact CD2-CD2 3.97Å; F470-F482 HydrophobicContact CD2-CD2 3.97Å; F470-F482 HydrophobicContact CD2-CG 4.37Å; F470-F482 HydrophobicContact CE1-CB 3.72Å; F470-F482 HydrophobicContact CE2-CB 3.66Å; F470-F482 AromaticContact CE2-CD2 3.69Å; F470-F482 HydrophobicContact CE2-CD2 3.69Å; F470-F482 AromaticContact CE2-CG 3.85Å; F470-F482 HydrophobicContact CE2-CG 3.85Å; F470-F482 HydrophobicContact CG-CB 4.22Å; F470-F482 HydrophobicContact CZ-CB 3.54Å; F470-F482 HydrophobicContact CZ-CD2 4.38Å; F470-F482 HydrophobicContact CZ-CG 4.07Å; F470-F482 PolarHBondContact N-O 2.84Å; F470-F482 PolarHBondContact O-N 2.77Å; L472-F482 HydrophobicContact CB-CE2 4.13Å; L472-F482 HydrophobicContact CD1-CE2 3.83Å; L472-F482 HydrophobicContact CD1-CZ 4.37Å; L472-F482 HydrophobicContact CG-CE2 3.98Å; F480-F482 HydrophobicContact CB-CD2 4.49Å; F480-F482 HydrophobicContact CB-CE2 3.53Å; F480-F482 HydrophobicContact CB-CZ 3.56Å; F480-F482 HydrophobicContact CG-CZ 4.46Å; F480-F482 WeakPolarHBondContact O-CD2 3.45Å; F480-F482 WeakPolarHBondContact O-CE2 3.25Å
483A92.8Very high82.2Confident0 Ų049.8 Ų49.80%027%0.273CS..EExtended strand (participates in β ladder)trans-131.5132.2163.800000109.9L411 W424 K466 Y468 V469L411-A483 HydrophobicContact CB-CB 4.2Å; L411-A483 WeakPolarHBondContact CB-O 3.3Å; L411-A483 HydrophobicContact CD1-CB 4.39Å; L411-A483 PolarHBondContact N-O 3.43Å; L411-A483 PolarHBondContact O-N 2.97Å; W424-A483 HydrophobicContact CE3-CB 4.38Å; W424-A483 HydrophobicContact CH2-CB 4.09Å; W424-A483 HydrophobicContact CZ3-CB 3.81Å; K466-A483 HydrophobicContact CB-CB 4.2Å; K466-A483 HydrophobicContact CG-CB 4.46Å; Y468-A483 WeakPolarHBondContact O-CA 3.48Å; V469-A483 HydrophobicContact CG2-CB 4.05Å
484A91.7Very high82.6Confident3 Ų350.7 Ų50.73%0.02528%0.278CS..  trans-85.7155.6168.100000110.4L410 Y468 F470 D489 L490L410-A484 HydrophobicContact CD2-CB 3.98Å; Y468-A484 PolarHBondContact O-N 3.03Å; F470-A484 HydrophobicContact CE1-CB 4.43Å; A484-D489 HydrophobicContact CB-CB 4.06Å; A484-L490 HydrophobicContact CB-CB 4Å
485D85.9Confident83.3Confident75 Ų7556.1 Ų56.140%0.40130%0.298SS..SBendtrans-76.4-30.1176.2-63.3-47.1000112.1R426R426-D485 IonicContact CZ-OD2 3.85Å; R426-D485 VanDerWaalsContact NH1-CG 3.34Å; R426-D485 IonicContact NH1-OD1 3.14Å; R426-D485 PolarHBondContact NH1-OD1 3.19Å; R426-D485 IonicContact NH1-OD2 3.38Å; R426-D485 PolarHBondContact NH1-OD2 3Å; R426-D485 IonicContact NH2-OD2 2.7Å; R426-D485 PolarHBondContact NH2-OD2 2.91Å
486T87.1Confident84.8Confident58 Ų5850.6 Ų50.636%0.35627%0.267SS..SBendtrans-129.8162.3179.481.70000113.1T488 D489 L490T486-T488 VanDerWaalsContact C-N 3.29Å; T486-T488 PolarHBondContact O-N 3.39Å; T486-T488 PolarHBondContact OG1-N 3.18Å; T486-D489 WeakPolarHBondContact CB-OD2 3.41Å; T486-D489 WeakPolarHBondContact CG2-OD2 3.27Å; T486-D489 PolarHBondContact O-N 3.41Å; T486-D489 PolarHBondContact OG1-N 3.26Å; T486-D489 PolarHBondContact OG1-OD2 3.03Å; T486-L490 PolarHBondContact O-N 3.02Å
487L83.6Confident86.4Confident96 Ų9648 Ų4850%0.50325%0.251SS..Hα-helixtrans-64.9-32172.1-178.357.5000112.4Y468 L490 S491Y468-L487 HydrophobicContact CD1-CB 4.06Å; Y468-L487 HydrophobicContact CD1-CD1 4.12Å; Y468-L487 HydrophobicContact CE1-CB 3.74Å; Y468-L487 HydrophobicContact CE1-CD1 4.24Å; Y468-L487 HydrophobicContact CE1-CG 4.44Å; L487-L490 HydrophobicContact CD1-CD2 4.02Å; L487-S491 WeakPolarHBondContact O-CB 3.34Å; L487-S491 PolarHBondContact O-N 3.33Å; L487-S491 PolarHBondContact O-OG 2.85Å
488T86.3Confident87.3Confident104 Ų10449.9 Ų49.964%0.63826%0.263SS*.Hα-helixtrans-67.2-44.8176.8-49.40000110.5T486 S491 M492T486-T488 VanDerWaalsContact C-N 3.29Å; T486-T488 PolarHBondContact O-N 3.39Å; T486-T488 PolarHBondContact OG1-N 3.18Å; T488-S491 PolarHBondContact O-N 3.15Å; T488-M492 WeakPolarHBondContact O-CB 3.36Å; T488-M492 PolarHBondContact O-N 3.45Å
489D88.4Confident87.8Confident50 Ų5048.6 Ų48.627%0.26726%0.264SS..Hα-helixtrans-66.7-41.3176.6-55.2-47.3000111A484 T486 S491 M492 W493A484-D489 HydrophobicContact CB-CB 4.06Å; T486-D489 WeakPolarHBondContact CB-OD2 3.41Å; T486-D489 WeakPolarHBondContact CG2-OD2 3.27Å; T486-D489 PolarHBondContact O-N 3.41Å; T486-D489 PolarHBondContact OG1-N 3.26Å; T486-D489 PolarHBondContact OG1-OD2 3.03Å; D489-S491 VanDerWaalsContact C-N 3.34Å; D489-S491 PolarHBondContact O-N 2.95Å; D489-M492 PolarHBondContact O-N 3.24Å; D489-W493 WeakPolarHBondContact O-CB 3.34Å; D489-W493 VanDerWaalsContact O-CD1 3.25Å; D489-W493 PolarHBondContact O-N 3.4Å
490L87.8Confident87.9Confident29 Ų2946 Ų4615%0.15225%0.246CC..Hα-helixtrans-55.2-50.8171176.568.1000110.8Y468 F470 A484 T486 L487 M492 W493 V494Y468-L490 HydrophobicContact CD1-CD2 4.33Å; F470-L490 HydrophobicContact CB-CD1 4.04Å; F470-L490 HydrophobicContact CD1-CD1 3.27Å; F470-L490 HydrophobicContact CE1-CD1 3.91Å; F470-L490 HydrophobicContact CG-CD1 3.96Å; A484-L490 HydrophobicContact CB-CB 4Å; T486-L490 PolarHBondContact O-N 3.02Å; L487-L490 HydrophobicContact CD1-CD2 4.02Å; L490-M492 VanDerWaalsContact C-N 3.31Å; L490-M492 PolarHBondContact O-N 2.97Å; L490-W493 PolarHBondContact O-N 2.93Å; L490-V494 HydrophobicContact CD1-CG2 3.72Å; L490-V494 HydrophobicContact CG-CG2 4.13Å; L490-V494 WeakPolarHBondContact O-CB 3.48Å; L490-V494 WeakPolarHBondContact O-CG2 3.28Å; L490-V494 PolarHBondContact O-N 2.89Å
491S84.1Confident87.9Confident64 Ų6446.3 Ų46.345%0.44825%0.248SC..Hα-helixtrans-68.2-32.6-176.8-55.40000111.8L487 T488 D489 R495L487-S491 WeakPolarHBondContact O-CB 3.34Å; L487-S491 PolarHBondContact O-N 3.33Å; L487-S491 PolarHBondContact O-OG 2.85Å; T488-S491 PolarHBondContact O-N 3.15Å; D489-S491 VanDerWaalsContact C-N 3.34Å; D489-S491 PolarHBondContact O-N 2.95Å; S491-R495 WeakPolarHBondContact O-CB 3.42Å; S491-R495 PolarHBondContact O-N 3.43Å
492M90.7Very high87.5Confident69 Ų6948.8 Ų48.834%0.3427%0.269SS..Hα-helixtrans-66.6-52.4173.5-170.9-160.3-48.900111.1T488 D489 L490 R495 H496T488-M492 WeakPolarHBondContact O-CB 3.36Å; T488-M492 PolarHBondContact O-N 3.45Å; D489-M492 PolarHBondContact O-N 3.24Å; L490-M492 VanDerWaalsContact C-N 3.31Å; L490-M492 PolarHBondContact O-N 2.97Å; M492-R495 PolarHBondContact O-N 3.2Å; M492-H496 PolarHBondContact O-N 3.14Å; M492-H496 PolarHBondContact O-ND1 2.98Å; M492-H496 VanDerWaalsContact O-ND1 3.09Å
493W91.5Very high86.7Confident4 Ų454.5 Ų54.52%0.01529%0.294CS..Hα-helixtrans-62.9-51.6178-83.5107.3000111C406 L410 F429 L431 L436 F470 D489 L490 R495 H496 L497C406-W493 HydrophobicContact CB-CZ3 4.35Å; L410-W493 HydrophobicContact CD1-CD2 3.85Å; L410-W493 HydrophobicContact CD1-CE3 4.3Å; L410-W493 HydrophobicContact CD1-CG 4.13Å; L410-W493 HydrophobicContact CD1-CZ2 4.22Å; L410-W493 HydrophobicContact CD2-CG 4.15Å; L410-W493 HydrophobicContact CG-CD2 4.39Å; L410-W493 HydrophobicContact CG-CG 4.45Å; L410-W493 HydrophobicContact CG-CZ2 4.44Å; F429-W493 HydrophobicContact CB-CH2 3.63Å; F429-W493 HydrophobicContact CB-CZ2 3.81Å; L431-W493 HydrophobicContact CB-CZ3 4.09Å; L436-W493 HydrophobicContact CD1-CH2 3.97Å; L436-W493 HydrophobicContact CD1-CZ3 3.66Å; F470-W493 HydrophobicContact CZ-CB 4.09Å; D489-W493 WeakPolarHBondContact O-CB 3.34Å; D489-W493 VanDerWaalsContact O-CD1 3.25Å; D489-W493 PolarHBondContact O-N 3.4Å; L490-W493 PolarHBondContact O-N 2.93Å; W493-R495 VanDerWaalsContact C-N 3.3Å; W493-R495 PolarHBondContact O-N 2.86Å; W493-H496 PolarHBondContact O-N 3.03Å; W493-H496 VanDerWaalsContact O-N 3.16Å; W493-L497 HydrophobicContact CB-CD1 4.25Å; W493-L497 HydrophobicContact CE3-CD1 4.24Å; W493-L497 HydrophobicContact CE3-CD2 4.29Å; W493-L497 HydrophobicContact CE3-CG 4.18Å; W493-L497 VanDerWaalsContact O-CB 3.24Å; W493-L497 WeakPolarHBondContact O-CB 3.39Å; W493-L497 WeakPolarHBondContact O-CD1 3.44Å; W493-L497 WeakPolarHBondContact O-CG 3.29Å; W493-L497 PolarHBondContact O-N 2.66Å
494V90.1Very high85.7Confident40 Ų4057.8 Ų57.824%0.24231%0.307CS..Hα-helixtrans-55.9-44.1176.2168.60000111.1L458 L490 I498L458-V494 HydrophobicContact CD2-CB 4.18Å; L458-V494 HydrophobicContact CD2-CG1 3.88Å; L458-V494 HydrophobicContact CD2-CG2 4.18Å; L490-V494 HydrophobicContact CD1-CG2 3.72Å; L490-V494 HydrophobicContact CG-CG2 4.13Å; L490-V494 WeakPolarHBondContact O-CB 3.48Å; L490-V494 WeakPolarHBondContact O-CG2 3.28Å; L490-V494 PolarHBondContact O-N 2.89Å; V494-I498 HydrophobicContact CG1-CD1 3.66Å; V494-I498 HydrophobicContact CG1-CG1 4.4Å; V494-I498 WeakPolarHBondContact O-CB 3.27Å; V494-I498 WeakPolarHBondContact O-CG1 3.28Å; V494-I498 PolarHBondContact O-N 3.08Å
495R88.3Confident84.5Confident134 Ų13459.5 Ų59.551%0.50631%0.314SS..Hα-helixtrans-64.5-46.2176.3-171.6-175.955.960.7-0112.2S491 M492 W493 T499S491-R495 WeakPolarHBondContact O-CB 3.42Å; S491-R495 PolarHBondContact O-N 3.43Å; M492-R495 PolarHBondContact O-N 3.2Å; W493-R495 VanDerWaalsContact C-N 3.3Å; W493-R495 PolarHBondContact O-N 2.86Å; R495-T499 VanDerWaalsContact O-CB 3.25Å; R495-T499 WeakPolarHBondContact O-CB 3.45Å; R495-T499 PolarHBondContact O-N 3.48Å; R495-T499 PolarHBondContact O-OG1 2.99Å
496H86.4Confident82.8Confident42 Ų4257.4 Ų57.419%0.19431%0.306CS..Hα-helixtrans-71.6-34-179.8-68.9126.8000113.1C406 L431 M492 W493 T499 C500C406-H496 HydrophobicContact CB-CB 3.66Å; C406-H496 PolarHBondContact SG-ND1 3.06Å; L431-H496 HydrophobicContact CD2-CB 4.23Å; M492-H496 PolarHBondContact O-N 3.14Å; M492-H496 PolarHBondContact O-ND1 2.98Å; M492-H496 VanDerWaalsContact O-ND1 3.09Å; W493-H496 PolarHBondContact O-N 3.03Å; W493-H496 VanDerWaalsContact O-N 3.16Å; H496-T499 PolarHBondContact O-N 3.32Å; H496-C500 WeakPolarHBondContact O-CB 3.43Å; H496-C500 PolarHBondContact O-N 2.8Å
497L89.6Confident80.9Confident0 Ų056.6 Ų56.60%030%0.301CS..Hα-helixtrans-67.7-46.9173.9-64.4167.4000109.7L431 L436 V453 L458 F470 W493 T499 C500 I501L431-L497 HydrophobicContact CD1-CD2 4.21Å; L431-L497 HydrophobicContact CD2-CD2 4.07Å; L436-L497 HydrophobicContact CD2-CD2 4.43Å; V453-L497 HydrophobicContact CB-CD2 4.44Å; V453-L497 HydrophobicContact CG1-CB 4.34Å; V453-L497 HydrophobicContact CG1-CD2 3.6Å; V453-L497 HydrophobicContact CG2-CD2 4.05Å; L458-L497 HydrophobicContact CD1-CD1 4.22Å; L458-L497 HydrophobicContact CD2-CB 4.07Å; F470-L497 HydrophobicContact CD2-CD1 4.33Å; F470-L497 HydrophobicContact CE2-CD1 3.57Å; F470-L497 HydrophobicContact CZ-CD1 4.26Å; W493-L497 HydrophobicContact CB-CD1 4.25Å; W493-L497 HydrophobicContact CE3-CD1 4.24Å; W493-L497 HydrophobicContact CE3-CD2 4.29Å; W493-L497 HydrophobicContact CE3-CG 4.18Å; W493-L497 VanDerWaalsContact O-CB 3.24Å; W493-L497 WeakPolarHBondContact O-CB 3.39Å; W493-L497 WeakPolarHBondContact O-CD1 3.44Å; W493-L497 WeakPolarHBondContact O-CG 3.29Å; W493-L497 PolarHBondContact O-N 2.66Å; L497-T499 PolarHBondContact O-N 2.7Å; L497-C500 WeakPolarHBondContact O-CB 3.33Å; L497-C500 PolarHBondContact O-N 3.23Å; L497-I501 VanDerWaalsContact O-CB 3.32Å; L497-I501 WeakPolarHBondContact O-CB 3.33Å; L497-I501 WeakPolarHBondContact O-CD1 3.35Å; L497-I501 WeakPolarHBondContact O-CG1 3.34Å; L497-I501 PolarHBondContact O-N 3.48Å
498I86.1Confident78.9Confident80 Ų8052.5 Ų52.541%0.4128%0.282SS..Hα-helixtrans-59.8-45.1171-68.3169.8000111.1L458 V494 C500 I501 S502L458-I498 HydrophobicContact CD2-CD1 4.19Å; L458-I498 HydrophobicContact CD2-CG1 3.67Å; V494-I498 HydrophobicContact CG1-CD1 3.66Å; V494-I498 HydrophobicContact CG1-CG1 4.4Å; V494-I498 WeakPolarHBondContact O-CB 3.27Å; V494-I498 WeakPolarHBondContact O-CG1 3.28Å; V494-I498 PolarHBondContact O-N 3.08Å; I498-C500 PolarHBondContact O-N 3.04Å; I498-I501 PolarHBondContact O-N 3.32Å; I498-S502 WeakPolarHBondContact O-CB 3.4Å; I498-S502 PolarHBondContact O-N 3.2Å; I498-S502 PolarHBondContact O-OG 2.89Å
499T83.1Confident76.7Confident71 Ų7156 Ų5644%0.43628%0.284SS..Hα-helixtrans-63.2-33.5178.4-54.20000111.6R495 H496 L497 K503R495-T499 VanDerWaalsContact O-CB 3.25Å; R495-T499 WeakPolarHBondContact O-CB 3.45Å; R495-T499 PolarHBondContact O-N 3.48Å; R495-T499 PolarHBondContact O-OG1 2.99Å; H496-T499 PolarHBondContact O-N 3.32Å; L497-T499 PolarHBondContact O-N 2.7Å; T499-K503 WeakPolarHBondContact O-CB 3.42Å; T499-K503 PolarHBondContact O-N 3.19Å
500C84.6Confident74.1Confident7 Ų753.7 Ų53.75%0.04727%0.272CS..Hα-helixtrans-71.5-51.5174.7166.50000111.1L431 G433 H496 L497 I498 K503 Y504L431-C500 HydrophobicContact CD1-CB 4.49Å; L431-C500 HydrophobicContact CD2-CB 3.93Å; G433-C500 PolarHBondContact O-SG 3.11Å; H496-C500 WeakPolarHBondContact O-CB 3.43Å; H496-C500 PolarHBondContact O-N 2.8Å; L497-C500 WeakPolarHBondContact O-CB 3.33Å; L497-C500 PolarHBondContact O-N 3.23Å; I498-C500 PolarHBondContact O-N 3.04Å; C500-K503 PolarHBondContact O-N 3.01Å; C500-Y504 WeakPolarHBondContact O-CD2 3.45Å; C500-Y504 PolarHBondContact O-N 3.28Å
501I84.6Confident71.6Confident12 Ų1253.6 Ų53.66%0.06227%0.272CS..Hα-helixtrans-51.7-68.8175.3-69.6163.6000108.2V453 Y456 L458 L472 L497 I498 K503 Y504 Q505V453-I501 HydrophobicContact CG1-CD1 4.09Å; V453-I501 HydrophobicContact CG1-CG1 3.87Å; V453-I501 WeakPolarHBondContact O-CG1 3.44Å; Y456-I501 WeakPolarHBondContact O-CD1 3.45Å; L458-I501 HydrophobicContact CB-CD1 3.82Å; L472-I501 HydrophobicContact CD2-CD1 4.35Å; L497-I501 VanDerWaalsContact O-CB 3.32Å; L497-I501 WeakPolarHBondContact O-CB 3.33Å; L497-I501 WeakPolarHBondContact O-CD1 3.35Å; L497-I501 WeakPolarHBondContact O-CG1 3.34Å; L497-I501 PolarHBondContact O-N 3.48Å; I498-I501 PolarHBondContact O-N 3.32Å; I501-K503 PolarHBondContact O-N 2.98Å; I501-Y504 PolarHBondContact O-N 2.83Å; I501-Q505 HydrophobicContact CG2-CG 4.15Å; I501-Q505 WeakPolarHBondContact O-CB 3.4Å; I501-Q505 PolarHBondContact O-N 2.85Å
502S81.4Confident69.5Low87 Ų8752 Ų5261%0.60826%0.261SS*.Hα-helixtrans-64.2-1.1-178-50.60000116.2I498I498-S502 WeakPolarHBondContact O-CB 3.4Å; I498-S502 PolarHBondContact O-N 3.2Å; I498-S502 PolarHBondContact O-OG 2.89Å
503K77.1Confident67Low120 Ų12048.8 Ų48.852%0.52225%0.245SC..Hα-helixtrans-103-26.1172.8179.4-175.2178.2-162.40113T499 C500 I501T499-K503 WeakPolarHBondContact O-CB 3.42Å; T499-K503 PolarHBondContact O-N 3.19Å; C500-K503 PolarHBondContact O-N 3.01Å; I501-K503 PolarHBondContact O-N 2.98Å
504Y71.6Confident64.5Low68 Ų6850.7 Ų50.727%0.26725%0.252SS..Hα-helixtrans-116.3-19.5-175.3-59.7-59000113.4G433 H434 C500 I501 Q662G433-Y504 WeakPolarHBondContact O-CE2 3.4Å; H434-Y504 HydrophobicContact CB-CD2 3.81Å; H434-Y504 HydrophobicContact CB-CG 4Å; C500-Y504 WeakPolarHBondContact O-CD2 3.45Å; C500-Y504 PolarHBondContact O-N 3.28Å; I501-Y504 PolarHBondContact O-N 2.83Å; Y504-Q662 PolarHBondContact O-NE2 3.29Å; Y504-Q662 PolarHBondContact O-OE1 3.47Å
505Q67.3Low62.3Low39 Ų3953.8 Ų53.818%0.18226%0.264CS..  trans-59150.5146.4-84.9-175.8-8.500110.1S454 I501 E659S454-Q505 WeakPolarHBondContact O-CG 3.47Å; S454-Q505 PolarHBondContact O-NE2 3.07Å; S454-Q505 VanDerWaalsContact O-NE2 3.17Å; I501-Q505 HydrophobicContact CG2-CG 4.15Å; I501-Q505 WeakPolarHBondContact O-CB 3.4Å; I501-Q505 PolarHBondContact O-N 2.85Å; Q505-E659 HydrophobicContact CB-CG 3.37Å; Q505-E659 HydrophobicContact CG-CG 3.7Å; Q505-E659 PolarHBondContact NE2-O 2.84Å
506S50.3Low60.1Low32 Ų3251.5 Ų51.522%0.22426%0.259CS..  trans-161.8150.1178.554.20000115R655 E659S506-R655 VanDerWaalsContact C-CD 3.43Å; S506-R655 CarbonylContact O-C 3.57Å; S506-R655 WeakPolarHBondContact O-CA 3.2Å; S506-R655 WeakPolarHBondContact O-CB 3.24Å; S506-R655 WeakPolarHBondContact O-CD 3.21Å; S506-R655 WeakPolarHBondContact O-CG 3.14Å; S506-R655 WeakPolarHBondContact OG-CD 3.41Å; S506-E659 VanDerWaalsContact C-CD 3.4Å; S506-E659 WeakPolarHBondContact CA-OE1 3.26Å; S506-E659 PolarHBondContact N-OE1 2.82Å
507P45.8Very low57.8Low41 Ų4153.2 Ų53.227%0.26627%0.27SS..SBendtrans-81.90.8-173.6-25.837.9000131.3E652 R655 Q656 E659P507-E652 HydrophobicContact CB-CG 4.44Å; P507-E652 CarbonylContact O-C 3.59Å; P507-E652 VanDerWaalsContact O-CA 3.23Å; P507-E652 WeakPolarHBondContact O-CA 3.46Å; P507-R655 VanDerWaalsContact CD-NH1 3.33Å; P507-R655 VanDerWaalsContact N-NH1 3.16Å; P507-R655 CarbonylContact O-C 3.46Å; P507-R655 WeakPolarHBondContact O-CA 3.43Å; P507-R655 PolarHBondContact O-N 3.35Å; P507-Q656 HydrophobicContact CB-CB 4.46Å; P507-Q656 PolarHBondContact O-N 3.47Å; P507-E659 WeakPolarHBondContact CD-OE1 3.41Å
508G41.5Very low55.7Low10 Ų1053.4 Ų53.410%0.10327%0.271CS..SBendtrans-140.724-171.100000129.4G651 R655G508-G651 WeakPolarHBondContact CA-O 3.35Å; G508-R655 VanDerWaalsContact C-CG 3.48Å; G508-R655 VanDerWaalsContact CA-CA 3.5Å; G508-R655 VanDerWaalsContact CA-NE 3.34Å
509R40.8Very low53.9Low178 Ų17852.2 Ų52.267%0.67226%0.262SS*.  trans164.6123.7-178-157.799-170.2-93.71.9116.2F654 R655 K658R509-F654 VanDerWaalsContact CA-CD1 3.46Å; R509-F654 HydrophobicContact CB-CD1 4.15Å; R509-F654 HydrophobicContact CB-CE1 4.2Å; R509-F654 VanDerWaalsContact CD-CE1 3.45Å; R509-F654 HydrophobicContact CG-CD1 4.1Å; R509-F654 HydrophobicContact CG-CE1 3.7Å; R509-F654 HydrophobicContact CG-CZ 4.42Å; R509-R655 WeakPolarHBondContact O-CG 3.39Å; R509-K658 PolarHBondContact O-NZ 3.42Å; R509-K658 VanDerWaalsContact O-NZ 3.08Å
510A34.4Very low51.9Low1 Ų151.1 Ų51.11%0.00826%0.257CS..  trans-177.20171.700000121.1F654 W657 K658 Y665A510-F654 WeakPolarHBondContact O-CE2 3.27Å; A510-F654 WeakPolarHBondContact O-CZ 3.28Å; A510-W657 WeakPolarHBondContact O-CZ3 3.48Å; A510-K658 HydrophobicContact CB-CB 3.39Å; A510-K658 HydrophobicContact CB-CD 3.38Å; A510-K658 VanDerWaalsContact CB-CE 3.47Å; A510-K658 HydrophobicContact CB-CG 3.19Å; A510-Y665 VanDerWaalsContact CA-CZ 3.48Å; A510-Y665 HydrophobicContact CB-CD1 2.98Å; A510-Y665 HydrophobicContact CB-CD2 3.86Å; A510-Y665 HydrophobicContact CB-CE1 3.96Å; A510-Y665 HydrophobicContact CB-CG 2.91Å; A510-Y665 WeakPolarHBondContact O-CD1 3.47Å; A510-Y665 WeakPolarHBondContact O-CD2 3.45Å; A510-Y665 VanDerWaalsContact O-CE1 3.31Å; A510-Y665 WeakPolarHBondContact O-CE1 3.03Å; A510-Y665 WeakPolarHBondContact O-CE2 3.1Å
511P35.8Very low49.8Very low26 Ų2654 Ų5417%0.16927%0.27CS..  0143.2049.7-15.6000125.6L664 Y665 S666 A668 L669P511-L664 CarbonylContact C-O 3.59Å; P511-Y665 VanDerWaalsContact C-CD2 3.46Å; P511-Y665 HydrophobicContact CB-CD2 3.99Å; P511-Y665 HydrophobicContact CB-CE1 3.99Å; P511-Y665 HydrophobicContact CB-CE2 3.29Å; P511-Y665 HydrophobicContact CG-CD1 4.04Å; P511-Y665 HydrophobicContact CG-CE1 3.48Å; P511-Y665 VanDerWaalsContact CG-CE1 3.48Å; P511-Y665 HydrophobicContact CG-CE2 4.09Å; P511-Y665 VanDerWaalsContact CG-CZ 3.5Å; P511-Y665 CarbonylContact O-C 3.36Å; P511-Y665 VanDerWaalsContact O-C 3.23Å; P511-Y665 VanDerWaalsContact O-CA 3.29Å; P511-Y665 WeakPolarHBondContact O-CA 3.39Å; P511-S666 PolarHBondContact O-N 3.26Å; P511-A668 HydrophobicContact CB-CB 3.57Å; P511-A668 HydrophobicContact CG-CB 3.68Å; P511-A668 PolarHBondContact O-N 3.43Å; P511-L669 HydrophobicContact CG-CG 4.27Å
512P38.1Very low47.4Very low32 Ų3255.4 Ų55.421%0.20828%0.279CS..  trans-1.7-176.1-159.1-4.7-19.1000126.1L640 L664 Y665 S666 E667 A668P512-L640 HydrophobicContact CB-CD1 3.85Å; P512-L640 HydrophobicContact CB-CD2 4.41Å; P512-L640 VanDerWaalsContact CD-CD1 3.41Å; P512-L640 HydrophobicContact CG-CD1 3.45Å; P512-L640 VanDerWaalsContact CG-CD1 3.45Å; P512-L640 HydrophobicContact CG-CD2 4.39Å; P512-L664 CarbonylContact C-O 3.56Å; P512-L664 WeakPolarHBondContact CA-O 3.44Å; P512-L664 CarbonylContact O-C 3.56Å; P512-Y665 CarbonylContact O-C 3.5Å; P512-Y665 VanDerWaalsContact O-CA 3.3Å; P512-Y665 WeakPolarHBondContact O-CA 3.32Å; P512-Y665 PolarHBondContact O-N 3.09Å; P512-Y665 VanDerWaalsContact O-N 3.12Å; P512-S666 CarbonylContact O-C 3.56Å; P512-S666 PolarHBondContact O-N 3.03Å; P512-E667 VanDerWaalsContact C-CB 3.48Å; P512-E667 HydrophobicContact CB-CB 3.83Å; P512-E667 HydrophobicContact CB-CG 4.19Å; P512-E667 PolarHBondContact O-N 2.93Å; P512-A668 HydrophobicContact CG-CB 3.76Å
513P38.3Very low45.2Very low1 Ų158.1 Ų58.11%0.00628%0.282CS..  trans-111.7115.3-169.237-28.3000119.4Y477 E515 K633 E636 E663 L664 E667Y477-P513 WeakPolarHBondContact OH-CB 3.4Å; P513-E515 PolarHBondContact O-N 3.45Å; P513-E515 VanDerWaalsContact O-N 3.09Å; P513-K633 PolarHBondContact O-NZ 3.32Å; P513-E636 HydrophobicContact CG-CB 3.87Å; P513-E636 HydrophobicContact CG-CG 3.58Å; P513-E636 WeakPolarHBondContact CG-OE2 3.43Å; P513-E663 WeakPolarHBondContact CA-O 3.37Å; P513-E663 VanDerWaalsContact CB-C 3.41Å; P513-E663 HydrophobicContact CB-CB 3.94Å; P513-L664 HydrophobicContact CB-CB 4.31Å; P513-L664 HydrophobicContact CB-CD2 4.48Å; P513-L664 HydrophobicContact CB-CG 3.94Å; P513-L664 HydrophobicContact CG-CD2 3.85Å; P513-L664 HydrophobicContact CG-CG 3.73Å; P513-E667 VanDerWaalsContact N-CG 3.34Å; P513-E667 WeakPolarHBondContact O-CG 3.5Å
514R39.1Very low42.9Very low44 Ų4456.2 Ų56.217%0.16629%0.288CS..  trans-79.7109.6-169.3-136.4152.5-140.7-151-4112.5E516 D517 C518 E667 G670R514-E516 HydrophobicContact CG-CB 4.02Å; R514-E516 HydrophobicContact CG-CG 4.16Å; R514-E516 IonicContact CZ-OE2 3.52Å; R514-E516 IonicContact NE-OE2 3.91Å; R514-E516 IonicContact NH1-OE2 3.2Å; R514-E516 PolarHBondContact O-N 3.05Å; R514-D517 HydrophobicContact CB-CB 3.88Å; R514-D517 WeakPolarHBondContact CB-OD2 3.47Å; R514-D517 CarbonylContact O-C 3.35Å; R514-D517 WeakPolarHBondContact O-CA 3.37Å; R514-D517 PolarHBondContact O-N 2.82Å; R514-C518 PolarHBondContact O-N 2.9Å; R514-C518 PolarHBondContact O-SG 3.16Å; R514-E667 HydrophobicContact CB-CB 4.48Å; R514-E667 HydrophobicContact CB-CG 4.14Å; R514-E667 HydrophobicContact CG-CB 4.47Å; R514-E667 HydrophobicContact CG-CG 4.11Å; R514-E667 WeakPolarHBondContact CG-OE1 3.45Å; R514-E667 IonicContact CZ-OE1 2.72Å; R514-E667 PolarHBondContact NE-O 2.83Å; R514-E667 IonicContact NE-OE1 3.53Å; R514-E667 PolarHBondContact NE-OE1 3.31Å; R514-E667 VanDerWaalsContact NE-OE1 3.07Å; R514-E667 IonicContact NH2-OE1 3.95Å; R514-G670 PolarHBondContact NH1-O 2.86Å
515E44Very low41Very low105 Ų10562.3 Ų62.349%0.49132%0.319SS..Hα-helixtrans-52.5-26.1170.5-143.9174168.100110.9P513 K633P513-E515 PolarHBondContact O-N 3.45Å; P513-E515 VanDerWaalsContact O-N 3.09Å; E515-K633 WeakPolarHBondContact OE2-CE 3.49Å; E515-K633 IonicContact OE2-NZ 3.55Å
516E41.6Very low39Very low86 Ų8667.8 Ų67.840%0.40235%0.35SS..Hα-helixtrans-79.7-22.5174-47.7-176.2112.900115.1R514R514-E516 HydrophobicContact CG-CB 4.02Å; R514-E516 HydrophobicContact CG-CG 4.16Å; R514-E516 IonicContact CZ-OE2 3.52Å; R514-E516 IonicContact NE-OE2 3.91Å; R514-E516 IonicContact NH1-OE2 3.2Å; R514-E516 PolarHBondContact O-N 3.05Å
517D38.8Very low38.5Very low77 Ų7771.6 Ų71.641%0.41237%0.374SS..Hα-helixtrans-101.8-34.6-178.6-68.2-34.6000112.7R514R514-D517 HydrophobicContact CB-CB 3.88Å; R514-D517 WeakPolarHBondContact CB-OD2 3.47Å; R514-D517 CarbonylContact O-C 3.35Å; R514-D517 WeakPolarHBondContact O-CA 3.37Å; R514-D517 PolarHBondContact O-N 2.82Å
518C45.6Very low37.9Very low4 Ų475.9 Ų75.93%0.02739%0.394CS..Hα-helixtrans-69.5-41.6-176-58.20000112.2Y477 R514 E663Y477-C518 HydrophobicContact CD2-CB 4.45Å; Y477-C518 HydrophobicContact CE2-CB 4.17Å; R514-C518 PolarHBondContact O-N 2.9Å; R514-C518 PolarHBondContact O-SG 3.16Å; C518-E663 WeakPolarHBondContact CB-OE2 3.49Å; C518-E663 PolarHBondContact SG-OE1 2.93Å
519Y47.7Very low37.4Very low56 Ų5684 Ų8422%0.2244%0.435CS..BIsolated β-bridgetrans-158.3132.8179.4-170.9-139000114.2W438 L450 I451 F480 E521W438-Y519 HydrophobicContact CH2-CD2 4.42Å; W438-Y519 AromaticContact CH2-CE2 3.64Å; W438-Y519 HydrophobicContact CH2-CE2 3.64Å; W438-Y519 AromaticContact CZ2-CE2 3.92Å; W438-Y519 HydrophobicContact CZ2-CE2 3.92Å; L450-Y519 WeakPolarHBondContact O-CD2 3.4Å; I451-Y519 HydrophobicContact CG2-CD2 4.13Å; F480-Y519 HydrophobicContact CE1-CE2 4.06Å; F480-Y519 HydrophobicContact CZ-CD1 4.48Å; F480-Y519 HydrophobicContact CZ-CD2 4.04Å; F480-Y519 HydrophobicContact CZ-CE1 4.19Å; F480-Y519 AromaticContact CZ-CE2 3.77Å; F480-Y519 HydrophobicContact CZ-CE2 3.77Å; F480-Y519 HydrophobicContact CZ-CG 4.39Å; F480-Y519 AromaticContact CZ-CZ 3.8Å; Y519-E521 HydrophobicContact CD1-CB 4.29Å; Y519-E521 HydrophobicContact CE1-CB 3.58Å; Y519-E521 HydrophobicContact CE1-CG 4.31Å; Y519-E521 WeakPolarHBondContact CE1-OE2 3.31Å; Y519-E521 HydrophobicContact CE2-CB 4.3Å; Y519-E521 VanDerWaalsContact CZ-OE2 3.3Å; Y519-E521 PolarHBondContact OH-OE1 2.91Å; Y519-E521 PolarHBondContact OH-OE2 3.33Å
520S41.4Very low37.2Very low47 Ų4782.8 Ų82.833%0.32944%0.437SS..  trans-126.982.7171.3-158.20000111.7T522S520-T522 PolarHBondContact O-N 2.91Å
521E40.5Very low37.2Very low69 Ų6987 Ų8732%0.32247%0.472SS..  trans-7390.2169.8-163.6147.2-150.900108.9K414 K478 Y519 E523K414-E521 WeakPolarHBondContact CE-OE1 3.24Å; K414-E521 IonicContact NZ-OE1 3.94Å; K414-E521 PolarHBondContact NZ-OE1 3.03Å; K478-E521 IonicContact NZ-OE2 3.89Å; K478-E521 PolarHBondContact NZ-OE2 3Å; Y519-E521 HydrophobicContact CD1-CB 4.29Å; Y519-E521 HydrophobicContact CE1-CB 3.58Å; Y519-E521 HydrophobicContact CE1-CG 4.31Å; Y519-E521 WeakPolarHBondContact CE1-OE2 3.31Å; Y519-E521 HydrophobicContact CE2-CB 4.3Å; Y519-E521 VanDerWaalsContact CZ-OE2 3.3Å; Y519-E521 PolarHBondContact OH-OE1 2.91Å; Y519-E521 PolarHBondContact OH-OE2 3.33Å; E521-E523 HydrophobicContact CG-CG 4.09Å; E521-E523 PolarHBondContact O-N 2.93Å
522T35.2Very low36.7Very low41 Ų4189.4 Ų89.425%0.25250%0.501SS..  trans-76.755.9176.152.90000112.2K446 S520 A524K446-T522 WeakPolarHBondContact CE-OG1 3.48Å; K446-T522 PolarHBondContact NZ-OG1 3.3Å; S520-T522 PolarHBondContact O-N 2.91Å; T522-A524 PolarHBondContact O-N 3.35Å
523E34.8Very low36.1Very low144 Ų14492.8 Ų92.867%0.67353%0.526SS*.  trans-70.682160-77.1-172.4172.200108.6K414 E521K414-E523 IonicContact NZ-OE1 3.63Å; K414-E523 PolarHBondContact NZ-OE1 2.9Å; E521-E523 HydrophobicContact CG-CG 4.09Å; E521-E523 PolarHBondContact O-N 2.93Å
524A27.4Very low35.6Very low79 Ų79103.8 Ų103.865%0.65357%0.568SS**  trans-65135.1143.800000107.5T522 D526T522-A524 PolarHBondContact O-N 3.35Å; A524-D526 VanDerWaalsContact C-N 3.31Å; A524-D526 PolarHBondContact O-N 3.1Å
525E33.2Very low35Very low197 Ų197107.3 Ų107.392%0.92160%0.599SS**  trans-64.597.5158.2-65.7-177.6125.900107.1P527E525-P527 WeakPolarHBondContact O-CD 3.31Å
526D25.7Very low34.1Very low153 Ų153106.9 Ų106.982%0.81861%0.613SS**  trans-87.9114.4173.4-143.1-4.3000108.1A524 D528A524-D526 VanDerWaalsContact C-N 3.31Å; A524-D526 PolarHBondContact O-N 3.1Å; D526-D528 PolarHBondContact O-N 2.89Å
527P38.8Very low33.2Very low112 Ų112108 Ų10873%0.72763%0.631SS**  trans-82.2119.8-174.731.4-32.8000111.8E525E525-P527 WeakPolarHBondContact O-CD 3.31Å
528D33Very low33.3Very low132 Ų132109.7 Ų109.771%0.70665%0.646SS**  trans71.181148.4-150.934.5000118.1D526 E530D526-D528 PolarHBondContact O-N 2.89Å; D528-E530 PolarHBondContact O-N 3.3Å
529D30.8Very low32.5Very low179 Ų179114.7 Ų114.796%0.95768%0.681SS**  trans-81.686.7154.8-100.1-33.9000109.4
530E37.4Very low32.3Very low154 Ų154117.7 Ų117.772%0.7271%0.707SS**  trans-80.5178.2176.8-118.6-73.9159.700113.1D528D528-E530 PolarHBondContact O-N 3.3Å
531A34.1Very low31.7Very low88 Ų88119.8 Ų119.873%0.72773%0.727SS**  trans72.559168.900000118.1
532G24.8Very low31.2Very low77 Ų77125 Ų12579%0.79475%0.751SS**  trans-101.14.8-177.800000119.6
533S26.8Very low30.7Very low104 Ų104127.9 Ų127.973%0.72778%0.779SS**  trans79.5125-179.8-59.30000120.3
534R27.5Very low30.2Very low232 Ų232124.6 Ų124.688%0.87579%0.785SS**  trans44126.7133.1-48.9177.2-169.1-1491.1117.8
535S26.2Very low30.2Very low118 Ų118126.6 Ų126.683%0.82579%0.794SS**  cis-17417417.7-1.70000108.4
536A25.3Very low30.5Very low96 Ų96122.3 Ų122.379%0.79378%0.783SS**  cis-165.7169.5-7.700000110.6
537S22.8Very low30.6Very low110 Ų110121.6 Ų121.677%0.76978%0.779SS**  trans-70.7172.9166-44.20000111.8
538P41.3Very low30.2Very low112 Ų112124.8 Ų124.873%0.72778%0.783SS**  cis-152.5140.229.738.5-13.8000122.1
539S28.1Very low29.8Very low109 Ų109121.6 Ų121.676%0.76278%0.781SS**  77.5-175.9126.3-460000120.2
540P44.3Very low29.6Very low119 Ų119120.5 Ų120.577%0.77378%0.776SS**  -146.9-168.7-100.945.5-24000118.8
541A26.8Very low29.1Very low90 Ų90120 Ų12074%0.74478%0.783SS**  trans73.7167.2155.800000118
542Q30.3Very low28.8Very low178 Ų178121.1 Ų121.183%0.83279%0.785SS**  cis-134.9144.85-74-174.514.100110.4
543A25.9Very low30Very low102 Ų102123.3 Ų123.384%0.84379%0.786SS**  58.7129.593.400000118.5
544G24.7Very low29.8Very low76 Ų76123 Ų12378%0.78479%0.789SS**  trans164.9130.6169.400000117.2
545S25.6Very low29.9Very low121 Ų121116.8 Ų116.885%0.84679%0.788SS**  trans-166.8-175.8169.8-63.80000106.9
546P41.2Very low30.1Very low107 Ų107117.4 Ų117.470%0.69579%0.787SS**  cis-144.5-163.33.827.81.2000116.1
547L27.7Very low30.6Very low138 Ų138119 Ų11972%0.72379%0.789SS**  trans90.8125.6150.4-54179.9000123.7
548H28.7Very low30.8Very low179 Ų179119.8 Ų119.883%0.82979%0.789SS**  trans40.7148.5145.6-58.6-67.5000123.7
549G26.3Very low30.6Very low64 Ų64123.4 Ų123.466%0.6680%0.797SS**  cis177.4165.2-3.200000115.9
550D25.7Very low30.5Very low157 Ų157129.4 Ų129.484%0.8480%0.802SS**  trans36.5122.5161-56-6.6000124.1
551T26.6Very low29.7Very low144 Ų144128.6 Ų128.688%0.88380%0.8SS**  -169.5145.6125.8-71.40000109.7
552S28.4Very low30.1Very low110 Ų110130.3 Ų130.377%0.76980%0.803SS**  trans-122.3-176.7-175.4-46.10000111.7
553P49.1Very low30.1Very low124 Ų124132.9 Ų132.981%0.80581%0.805SS**  cis-132.8167.6-15.140.1-25.5000114.7
554A24.1Very low30.3Very low97 Ų97132.5 Ų132.580%0.80279%0.793SS**  trans179.1151.1141.600000113.9
555A29.6Very low30.5Very low102 Ų102133.7 Ų133.784%0.84379%0.789SS**  trans61.6125.5160.400000121.1
556T29Very low31.2Very low130 Ų130138.3 Ų138.380%0.79879%0.794SS**  trans-90.5174.6170.927.60000111.8
557P35.6Very low30.5Very low129 Ų129137 Ų13784%0.83880%0.8SS**  cis-128.4173.716.738.4-19.8000117.7
558T28.7Very low30.5Very low127 Ų127135.7 Ų135.778%0.77980%0.803SS**  trans-100.1146.2-165.9-40.30000112.7
559Q36.1Very low31.2Very low189 Ų189134.6 Ų134.688%0.88380%0.802SS**  trans-56.9142.4160.8-73.1-175.1-7.200111
560R26.3Very low32Very low234 Ų234137.8 Ų137.888%0.88381%0.809SS**  trans-142.3113.8163.9-151.3178.8-158.3-176.17.2112
561S28.2Very low32.4Very low102 Ų102137.9 Ų137.971%0.71381%0.81SS**PPolyproline II helixtrans-62.5137.2165.3-48.50000109.9R563S561-R563 PolarHBondContact O-N 3.47Å
562P35.1Very low33.5Very low127 Ų127132.9 Ų132.983%0.82578%0.781SS**PPolyproline II helixtrans-62.1126.2173.3-23.334.3000111.5
563R30.2Very low34.7Very low231 Ų231132.6 Ų132.687%0.87278%0.778SS**PPolyproline II helixtrans-88.5124.2164-83.6-176.2166.8-169.5-4.4108.6S561 S565S561-R563 PolarHBondContact O-N 3.47Å; R563-S565 PolarHBondContact O-N 3.48Å
564T29.9Very low34.9Very low94 Ų94132 Ų13258%0.57777%0.765SS**  trans-7696.516654.40000109.2R612T564-R612 PolarHBondContact OG1-NH1 2.91Å
565S29Very low36.7Very low102 Ų102134.9 Ų134.971%0.71376%0.762SS**  trans-108120.8167.9-69.80000108.9R563R563-S565 PolarHBondContact O-N 3.48Å
566F39.6Very low38.4Very low217 Ų217133.4 Ų133.495%0.95275%0.75SS**  trans-70.9133.6163.9-75.5-94.7000108.7
567G27.7Very low40Very low80 Ų80129.6 Ų129.683%0.82572%0.724SS**  trans171.425.1-176.800000121.1
568S27.5Very low41.5Very low110 Ų110126.6 Ų126.677%0.76970%0.699SS**  trans-158.6155.9148.4-160.60000110.8
569L42.9Very low43.3Very low157 Ų157122.6 Ų122.682%0.82268%0.683SS**  trans-97.6164.1158.4-75.4156.9000108.2
570T41.9Very low44.9Very low130 Ų130118.9 Ų118.980%0.79867%0.667SS**  trans71.5136.4-166.268.30000114
571D35.1Very low46.9Very low160 Ų160108.1 Ų108.186%0.85663%0.628SS**SBendtrans57.6129.6-162.2-59.2-12.5000115.4
572S49Very low48.7Very low39 Ų39107.1 Ų107.127%0.27361%0.612SS.*  cis-138.6149.4-25178.60000109.3E574 E575S572-E574 PolarHBondContact O-N 3.09Å; S572-E574 WeakPolarHBondContact OG-CB 3.44Å; S572-E574 WeakPolarHBondContact OG-CG 3.4Å; S572-E574 PolarHBondContact OG-N 3.11Å; S572-E574 PolarHBondContact OG-OE2 2.69Å; S572-E575 PolarHBondContact O-N 2.93Å
573S54.6Low50.2Low103 Ų103102.6 Ų102.672%0.7259%0.588SS**Hα-helixtrans-60.8-24.3170.343.90000112.5L577S573-L577 PolarHBondContact O-N 3.4Å; S573-L577 VanDerWaalsContact O-N 3.16Å
574E53.3Low52Low112 Ų11294.4 Ų94.452%0.52356%0.562SS.*Hα-helixtrans-62.9-51.6177.8-66.2158.9142.900111.5I109 S572 A576 L577 E578I109-E574 HydrophobicContact CD1-CB 3.63Å; I109-E574 HydrophobicContact CD1-CG 4.34Å; I109-E574 WeakPolarHBondContact CD1-O 3.43Å; S572-E574 PolarHBondContact O-N 3.09Å; S572-E574 WeakPolarHBondContact OG-CB 3.44Å; S572-E574 WeakPolarHBondContact OG-CG 3.4Å; S572-E574 PolarHBondContact OG-N 3.11Å; S572-E574 PolarHBondContact OG-OE2 2.69Å; E574-A576 PolarHBondContact O-N 3.04Å; E574-L577 PolarHBondContact O-N 2.98Å; E574-L577 VanDerWaalsContact O-N 3.16Å; E574-E578 WeakPolarHBondContact O-CB 3.39Å; E574-E578 PolarHBondContact O-N 3.16Å
575E60.8Low53.7Low157 Ų15792.7 Ų92.773%0.73454%0.544SS*.Hα-helixtrans-60.3-35.1-179.7-66.7-161.915600112.5S572 G579S572-E575 PolarHBondContact O-N 2.93Å; E575-G579 PolarHBondContact O-N 3.39Å
576A66.4Low55.3Low72 Ų7291 Ų9160%0.59553%0.525SS*.Hα-helixtrans-67.6-44.7177.300000111.7E574 G579 M580E574-A576 PolarHBondContact O-N 3.04Å; A576-G579 PolarHBondContact O-N 2.96Å; A576-M580 PolarHBondContact O-N 3.47Å
577L62.3Low56.4Low50 Ų5082.3 Ų82.326%0.26250%0.497SS..Hα-helixtrans-71.6-40.6179.3-177.951.9000112.1I109 C113 S573 E574 G579 M580 V581I109-L577 HydrophobicContact CG2-CB 4.29Å; I109-L577 HydrophobicContact CG2-CD2 3.75Å; I109-L577 HydrophobicContact CG2-CG 4.06Å; C113-L577 WeakPolarHBondContact SG-CD2 3.44Å; S573-L577 PolarHBondContact O-N 3.4Å; S573-L577 VanDerWaalsContact O-N 3.16Å; E574-L577 PolarHBondContact O-N 2.98Å; E574-L577 VanDerWaalsContact O-N 3.16Å; L577-G579 VanDerWaalsContact C-N 3.29Å; L577-G579 PolarHBondContact O-N 3.23Å; L577-M580 HydrophobicContact CD1-CE 3.74Å; L577-M580 WeakPolarHBondContact O-CB 3.44Å; L577-M580 PolarHBondContact O-N 3.12Å; L577-M580 VanDerWaalsContact O-N 3.11Å; L577-V581 HydrophobicContact CD1-CG2 4.23Å; L577-V581 WeakPolarHBondContact O-CG2 3.49Å; L577-V581 PolarHBondContact O-N 2.99Å
578E66.1Low58.1Low65 Ų6578.9 Ų78.930%0.30446%0.462SS..Hα-helixtrans-61.2-41.2173-145.3-165.3-95.200110.9K106 I109 E574 M580 Q582K106-E578 IonicContact NZ-OE2 2.6Å; K106-E578 PolarHBondContact NZ-OE2 2.78Å; I109-E578 HydrophobicContact CD1-CB 3.79Å; I109-E578 HydrophobicContact CD1-CG 4Å; I109-E578 HydrophobicContact CG1-CB 4.03Å; I109-E578 HydrophobicContact CG1-CG 3.92Å; E574-E578 WeakPolarHBondContact O-CB 3.39Å; E574-E578 PolarHBondContact O-N 3.16Å; E578-M580 VanDerWaalsContact C-N 3.34Å; E578-M580 PolarHBondContact O-N 3.37Å; E578-Q582 WeakPolarHBondContact O-CB 3.36Å; E578-Q582 PolarHBondContact O-N 3.09Å
579G67.8Low59.8Low44 Ų4475.8 Ų75.845%0.45444%0.439SS..Hα-helixtrans-61.1-38.2172.300000113.5E575 A576 L577 G583E575-G579 PolarHBondContact O-N 3.39Å; A576-G579 PolarHBondContact O-N 2.96Å; L577-G579 VanDerWaalsContact C-N 3.29Å; L577-G579 PolarHBondContact O-N 3.23Å; G579-G583 PolarHBondContact O-N 3.09Å
580M69.8Low60.9Low110 Ų11068.8 Ų68.854%0.54240%0.403SS..Hα-helixtrans-68.1-49.8176.4-170.2173.886.900111.8A576 L577 E578 Q582 G583 L584A576-M580 PolarHBondContact O-N 3.47Å; L577-M580 HydrophobicContact CD1-CE 3.74Å; L577-M580 WeakPolarHBondContact O-CB 3.44Å; L577-M580 PolarHBondContact O-N 3.12Å; L577-M580 VanDerWaalsContact O-N 3.11Å; E578-M580 VanDerWaalsContact C-N 3.34Å; E578-M580 PolarHBondContact O-N 3.37Å; M580-Q582 PolarHBondContact O-N 3.21Å; M580-G583 CarbonylContact O-C 3.56Å; M580-G583 VanDerWaalsContact O-CA 3.28Å; M580-G583 WeakPolarHBondContact O-CA 3.42Å; M580-G583 PolarHBondContact O-N 2.99Å; M580-L584 PolarHBondContact O-N 3.49Å
581V66.8Low61.8Low9 Ų964 Ų646%0.05537%0.372CS..Hα-helixtrans-63.9-41.6178.3175.50000111.2L112 L577 G583 L584 R585 L591L112-V581 HydrophobicContact CD1-CB 4.32Å; L112-V581 HydrophobicContact CD1-CG1 3.99Å; L112-V581 HydrophobicContact CD1-CG2 4.23Å; L112-V581 HydrophobicContact CD2-CG1 4.13Å; L577-V581 HydrophobicContact CD1-CG2 4.23Å; L577-V581 WeakPolarHBondContact O-CG2 3.49Å; L577-V581 PolarHBondContact O-N 2.99Å; V581-G583 PolarHBondContact O-N 3.3Å; V581-L584 PolarHBondContact O-N 3.44Å; V581-R585 WeakPolarHBondContact O-CG 3.13Å; V581-R585 PolarHBondContact O-N 2.92Å; V581-L591 HydrophobicContact CB-CD2 4.4Å; V581-L591 HydrophobicContact CG1-CD2 3.9Å; V581-L591 HydrophobicContact CG2-CD2 3.65Å
582Q67.8Low62.9Low80 Ų8058.5 Ų58.537%0.37434%0.342SS..Hα-helixtrans-63.4-27.4172.3-175.360.69200112E578 M580 Q586E578-Q582 WeakPolarHBondContact O-CB 3.36Å; E578-Q582 PolarHBondContact O-N 3.09Å; M580-Q582 PolarHBondContact O-N 3.21Å; Q582-Q586 VanDerWaalsContact O-CG 3.31Å; Q582-Q586 WeakPolarHBondContact O-CG 3.31Å; Q582-Q586 PolarHBondContact O-N 2.7Å; Q582-Q586 PolarHBondContact O-NE2 3.43Å
583G66.1Low63.1Low33 Ų3359.2 Ų59.234%0.3436%0.355SS..Hα-helixtrans-72.8-47.7172.300000113.4G579 M580 V581 R585 Q586 G587G579-G583 PolarHBondContact O-N 3.09Å; M580-G583 CarbonylContact O-C 3.56Å; M580-G583 VanDerWaalsContact O-CA 3.28Å; M580-G583 WeakPolarHBondContact O-CA 3.42Å; M580-G583 PolarHBondContact O-N 2.99Å; V581-G583 PolarHBondContact O-N 3.3Å; G583-R585 PolarHBondContact O-N 3.48Å; G583-Q586 CarbonylContact O-C 3.58Å; G583-Q586 WeakPolarHBondContact O-CB 3.38Å; G583-Q586 PolarHBondContact O-N 3.18Å; G583-Q586 VanDerWaalsContact O-N 3.16Å; G583-G587 PolarHBondContact O-N 2.93Å
584L67Low63.1Low59 Ų5958.4 Ų58.431%0.30934%0.337SS..Hα-helixtrans-56.9-48.8175-69.3172.2000111M580 V581 Q586 G587 G588 V589M580-L584 PolarHBondContact O-N 3.49Å; V581-L584 PolarHBondContact O-N 3.44Å; L584-Q586 VanDerWaalsContact C-N 3.31Å; L584-Q586 PolarHBondContact O-N 3.38Å; L584-G587 CarbonylContact O-C 3.55Å; L584-G587 WeakPolarHBondContact O-CA 3.17Å; L584-G587 PolarHBondContact O-N 2.9Å; L584-G588 PolarHBondContact O-N 3.49Å; L584-G588 VanDerWaalsContact O-N 3.09Å; L584-V589 CarbonylContact C-O 3.49Å; L584-V589 HydrophobicContact CD2-CB 4.36Å; L584-V589 HydrophobicContact CD2-CG1 4.39Å; L584-V589 PolarHBondContact O-N 2.94Å; L584-V589 VanDerWaalsContact O-O 3.11Å
585R66.9Low63Low57 Ų5758.8 Ų58.822%0.21535%0.349CS..Hα-helixtrans-59-37.7175.5-69.9-179-179-138.84.7113T107 L157 H158 V581 G583 G587 G588T107-R585 PolarHBondContact OG1-NH2 3.05Å; L157-R585 PolarHBondContact O-NH2 2.82Å; H158-R585 PolarHBondContact CD2-NE 3.33Å; H158-R585 PolarHBondContact O-NH1 2.88Å; V581-R585 WeakPolarHBondContact O-CG 3.13Å; V581-R585 PolarHBondContact O-N 2.92Å; G583-R585 PolarHBondContact O-N 3.48Å; R585-G587 VanDerWaalsContact C-N 3.34Å; R585-G588 PolarHBondContact O-N 3.49Å
586Q62.8Low63Low66 Ų6653.3 Ų53.331%0.30832%0.323SS..Hα-helixtrans-71.7-27.5171.9-78.1170.985.700113.4Q582 G583 L584 G588 S606Q582-Q586 VanDerWaalsContact O-CG 3.31Å; Q582-Q586 WeakPolarHBondContact O-CG 3.31Å; Q582-Q586 PolarHBondContact O-N 2.7Å; Q582-Q586 PolarHBondContact O-NE2 3.43Å; G583-Q586 CarbonylContact O-C 3.58Å; G583-Q586 WeakPolarHBondContact O-CB 3.38Å; G583-Q586 PolarHBondContact O-N 3.18Å; G583-Q586 VanDerWaalsContact O-N 3.16Å; L584-Q586 VanDerWaalsContact C-N 3.31Å; L584-Q586 PolarHBondContact O-N 3.38Å; Q586-G588 VanDerWaalsContact C-N 3.29Å; Q586-S606 WeakPolarHBondContact O-CB 3.47Å
587G61.3Low62.2Low36 Ų3655.2 Ų55.237%0.37133%0.33SS..Hα-helixtrans-75.5-15175.800000114G583 L584 R585G583-G587 PolarHBondContact O-N 2.93Å; L584-G587 CarbonylContact O-C 3.55Å; L584-G587 WeakPolarHBondContact O-CA 3.17Å; L584-G587 PolarHBondContact O-N 2.9Å; R585-G587 VanDerWaalsContact C-N 3.34Å
588G63.8Low61.8Low8 Ų853.8 Ų53.88%0.08232%0.322CS..THydrogen-bonded Turntrans81.235-172.300000112.8L584 R585 Q586 P595 Q596L584-G588 PolarHBondContact O-N 3.49Å; L584-G588 VanDerWaalsContact O-N 3.09Å; R585-G588 PolarHBondContact O-N 3.49Å; Q586-G588 VanDerWaalsContact C-N 3.29Å; G588-P595 CarbonylContact O-C 3.04Å; G588-P595 WeakPolarHBondContact O-CA 3.22Å; G588-Q596 PolarHBondContact O-N 3.02Å
589V64.2Low61.3Low45 Ų4554.3 Ų54.327%0.27333%0.33SS..BIsolated β-bridgetrans-131132.5-177.4-170.50000108.8L584 R594L584-V589 CarbonylContact C-O 3.49Å; L584-V589 HydrophobicContact CD2-CB 4.36Å; L584-V589 HydrophobicContact CD2-CG1 4.39Å; L584-V589 PolarHBondContact O-N 2.94Å; L584-V589 VanDerWaalsContact O-O 3.11Å; V589-R594 WeakPolarHBondContact CA-O 3.3Å
590S64.6Low60.2Low10 Ų1058.5 Ų58.57%0.0734%0.338CS..  trans-80.7173174780000112L592 G593 R594S590-L592 PolarHBondContact O-N 3.24Å; S590-L592 VanDerWaalsContact O-N 3.09Å; S590-L592 PolarHBondContact OG-N 2.9Å; S590-G593 PolarHBondContact O-N 3.21Å; S590-R594 PolarHBondContact N-O 3.01Å
591L61.5Low59.1Low28 Ų2860.5 Ų60.515%0.14735%0.346CS..THydrogen-bonded Turntrans-54.5-23.6170.9-65.3164.8000113.9L112 T115 H158 V581 G593L112-L591 HydrophobicContact CD2-CD1 3.4Å; L112-L591 HydrophobicContact CD2-CD2 4.11Å; L112-L591 HydrophobicContact CD2-CG 4.28Å; T115-L591 HydrophobicContact CG2-CD1 4.27Å; H158-L591 PolarHBondContact NE2-N 3.28Å; V581-L591 HydrophobicContact CB-CD2 4.4Å; V581-L591 HydrophobicContact CG1-CD2 3.9Å; V581-L591 HydrophobicContact CG2-CD2 3.65Å; L591-G593 VanDerWaalsContact C-N 3.31Å
592L58.7Low58.4Low46 Ų4664.6 Ų64.624%0.24136%0.364CS..THydrogen-bonded Turntrans-86.85.6177.8-54.5-171.8000113.6V119 S154 S590 R594V119-L592 HydrophobicContact CB-CD2 4.14Å; V119-L592 HydrophobicContact CG1-CD2 3.67Å; V119-L592 HydrophobicContact CG2-CD2 3.39Å; S154-L592 VanDerWaalsContact OG-CD1 3.27Å; S154-L592 WeakPolarHBondContact OG-CD1 3.24Å; S154-L592 WeakPolarHBondContact OG-CD2 3.35Å; S154-L592 WeakPolarHBondContact OG-CG 3.27Å; S590-L592 PolarHBondContact O-N 3.24Å; S590-L592 VanDerWaalsContact O-N 3.09Å; S590-L592 PolarHBondContact OG-N 2.9Å; L592-R594 HydrophobicContact CB-CG 4.01Å; L592-R594 PolarHBondContact O-N 3.35Å
593G52.2Low57.5Low53 Ų5367.5 Ų67.555%0.54637%0.372SS..SBendtrans71.9-0-169.500000114.4S590 L591S590-G593 PolarHBondContact O-N 3.21Å; L591-G593 VanDerWaalsContact C-N 3.31Å
594R55.9Low56.7Low86 Ų8672.1 Ų72.133%0.32538%0.379SS..PPolyproline II helixtrans-71.9136.2-178.1-66.9-178.1-177.3-119.217.7111.1E151 V589 S590 L592 Q596E151-R594 WeakPolarHBondContact OE1-CD 3.37Å; E151-R594 IonicContact OE1-CZ 2.7Å; E151-R594 IonicContact OE1-NE 3.21Å; E151-R594 IonicContact OE1-NH1 3.67Å; E151-R594 PolarHBondContact OE1-NH1 3.45Å; E151-R594 IonicContact OE1-NH2 3.84Å; E151-R594 IonicContact OE2-CZ 2.69Å; E151-R594 IonicContact OE2-NE 3.71Å; E151-R594 IonicContact OE2-NH1 3.12Å; E151-R594 PolarHBondContact OE2-NH1 2.93Å; E151-R594 IonicContact OE2-NH2 2.77Å; E151-R594 PolarHBondContact OE2-NH2 2.98Å; V589-R594 WeakPolarHBondContact CA-O 3.3Å; S590-R594 PolarHBondContact N-O 3.01Å; L592-R594 HydrophobicContact CB-CG 4.01Å; L592-R594 PolarHBondContact O-N 3.35Å; R594-Q596 PolarHBondContact O-N 3.42Å
595P51.3Low55.8Low121 Ų12172.3 Ų72.379%0.78639%0.386SS*.BIsolated β-bridgetrans-64.2120174.5-20.532.6000111.5G588G588-P595 CarbonylContact O-C 3.04Å; G588-P595 WeakPolarHBondContact O-CA 3.22Å
596Q59.2Low54.8Low41 Ų4170.3 Ų70.319%0.19238%0.38CS..PPolyproline II helixtrans-95.7140.2-177.9-160.3171.136.600111.1H158 G588 R594 L598H158-Q596 VanDerWaalsContact CB-NE2 3.28Å; G588-Q596 PolarHBondContact O-N 3.02Å; R594-Q596 PolarHBondContact O-N 3.42Å; Q596-L598 VanDerWaalsContact C-N 3.33Å; Q596-L598 PolarHBondContact O-N 3.2Å
597P51.1Low54.2Low113 Ų11373.9 Ų73.973%0.73440%0.395SS*.  trans-69.384.3176.828.1-36.3000112.2
598L53.8Low53.3Low19 Ų1979.2 Ų79.210%0.09941%0.412CS..  trans-58.8138.2169.2-66.2179.5000110.9Q596 Q602 W603Q596-L598 VanDerWaalsContact C-N 3.33Å; Q596-L598 PolarHBondContact O-N 3.2Å; L598-Q602 HydrophobicContact CB-CB 4.15Å; L598-Q602 HydrophobicContact CD2-CB 4.07Å; L598-W603 HydrophobicContact CB-CD2 4.44Å; L598-W603 HydrophobicContact CB-CG 4.07Å; L598-W603 HydrophobicContact CD1-CD2 4.12Å; L598-W603 HydrophobicContact CD1-CE3 4.49Å; L598-W603 HydrophobicContact CD1-CG 4.31Å; L598-W603 PolarHBondContact O-NE1 3.27Å
599T53.9Low52.8Low77 Ų7787.7 Ų87.747%0.47244%0.442SS..  trans-62.9158.8167.763.80000111.2E601 Q602 W603T599-E601 PolarHBondContact O-N 2.83Å; T599-Q602 PolarHBondContact O-N 3.04Å; T599-Q602 VanDerWaalsContact O-N 3.1Å; T599-Q602 WeakPolarHBondContact OG1-CG 3.31Å; T599-Q602 PolarHBondContact OG1-N 3.41Å; T599-Q602 PolarHBondContact OG1-OE1 3.34Å; T599-W603 PolarHBondContact O-N 3.47Å
600Q45.4Very low52.1Low132 Ų13295.7 Ų95.762%0.61747%0.467SS*.Hα-helixtrans-63.3-18.1-177-147.8-171.85000113.6R604Q600-R604 WeakPolarHBondContact O-CD 3.31Å; Q600-R604 VanDerWaalsContact O-CG 3.24Å; Q600-R604 WeakPolarHBondContact O-CG 3.49Å; Q600-R604 PolarHBondContact O-N 3.36Å; Q600-R604 PolarHBondContact O-NH1 2.83Å; Q600-R604 VanDerWaalsContact OE1-CZ 3.23Å
601E46.8Very low51.4Low151 Ų15199.5 Ų99.571%0.70649%0.486SS*.Hα-helixtrans-88.4-34.8175.2-58.2-165.2152.600112.5T599 R604 S605T599-E601 PolarHBondContact O-N 2.83Å; E601-R604 PolarHBondContact O-N 3.13Å; E601-S605 WeakPolarHBondContact O-CB 3.46Å; E601-S605 PolarHBondContact O-N 3.23Å; E601-S605 PolarHBondContact O-OG 3.1Å
602Q51.4Low51Low95 Ų95107.9 Ų107.944%0.44452%0.516SS..Hα-helixtrans-65.5-42.5170.3-71.3159.5-3000111.1L598 T599 R604 S605 S606L598-Q602 HydrophobicContact CB-CB 4.15Å; L598-Q602 HydrophobicContact CD2-CB 4.07Å; T599-Q602 PolarHBondContact O-N 3.04Å; T599-Q602 VanDerWaalsContact O-N 3.1Å; T599-Q602 WeakPolarHBondContact OG1-CG 3.31Å; T599-Q602 PolarHBondContact OG1-N 3.41Å; T599-Q602 PolarHBondContact OG1-OE1 3.34Å; Q602-R604 PolarHBondContact O-N 2.73Å; Q602-S605 WeakPolarHBondContact CA-OG 3.37Å; Q602-S605 PolarHBondContact O-N 2.66Å; Q602-S605 PolarHBondContact O-OG 3.02Å; Q602-S605 VanDerWaalsContact O-OG 3.13Å; Q602-S606 WeakPolarHBondContact O-CB 3.4Å; Q602-S606 PolarHBondContact O-N 3.45Å; Q602-S606 PolarHBondContact O-OG 3.05Å
603W50.6Low50.6Low141 Ų141109.1 Ų109.153%0.53452%0.523SS..Hα-helixtrans-54.9-46.6169.2-90.3111.6000112.6L598 T599 S606 F607L598-W603 HydrophobicContact CB-CD2 4.44Å; L598-W603 HydrophobicContact CB-CG 4.07Å; L598-W603 HydrophobicContact CD1-CD2 4.12Å; L598-W603 HydrophobicContact CD1-CE3 4.49Å; L598-W603 HydrophobicContact CD1-CG 4.31Å; L598-W603 PolarHBondContact O-NE1 3.27Å; T599-W603 PolarHBondContact O-N 3.47Å; W603-S606 PolarHBondContact O-OG 3.35Å; W603-F607 VanDerWaalsContact O-CB 3.28Å; W603-F607 WeakPolarHBondContact O-CB 3.31Å; W603-F607 PolarHBondContact O-N 3.31Å
604R49.1Very low50.7Low130 Ų130111.1 Ų111.149%0.49153%0.526SS..Hα-helixtrans-66.9-38.9-179.9-76.6172.2-178.5119.84.4112.6Q600 E601 Q602 F607 M608Q600-R604 WeakPolarHBondContact O-CD 3.31Å; Q600-R604 VanDerWaalsContact O-CG 3.24Å; Q600-R604 WeakPolarHBondContact O-CG 3.49Å; Q600-R604 PolarHBondContact O-N 3.36Å; Q600-R604 PolarHBondContact O-NH1 2.83Å; Q600-R604 VanDerWaalsContact OE1-CZ 3.23Å; E601-R604 PolarHBondContact O-N 3.13Å; Q602-R604 PolarHBondContact O-N 2.73Å; R604-F607 PolarHBondContact O-N 3.31Å; R604-M608 WeakPolarHBondContact O-CG 3.48Å; R604-M608 PolarHBondContact O-N 2.91Å
605S46.3Very low50.6Low64 Ų64112.6 Ų112.645%0.44854%0.537SS..Hα-helixtrans-75.2-34.5-179.449.70000112.9E601 Q602 F607 M608 R609E601-S605 WeakPolarHBondContact O-CB 3.46Å; E601-S605 PolarHBondContact O-N 3.23Å; E601-S605 PolarHBondContact O-OG 3.1Å; Q602-S605 WeakPolarHBondContact CA-OG 3.37Å; Q602-S605 PolarHBondContact O-N 2.66Å; Q602-S605 PolarHBondContact O-OG 3.02Å; Q602-S605 VanDerWaalsContact O-OG 3.13Å; S605-F607 VanDerWaalsContact C-N 3.35Å; S605-M608 PolarHBondContact O-N 2.87Å; S605-R609 PolarHBondContact O-N 3.09Å
606S47.8Very low50.7Low15 Ų15110.3 Ų110.311%0.10552%0.518CS..Hα-helixtrans-70.9-28.7170.974.40000113Q586 Q602 W603Q586-S606 WeakPolarHBondContact O-CB 3.47Å; Q602-S606 WeakPolarHBondContact O-CB 3.4Å; Q602-S606 PolarHBondContact O-N 3.45Å; Q602-S606 PolarHBondContact O-OG 3.05Å; W603-S606 PolarHBondContact O-OG 3.35Å
607F48.4Very low50.5Low140 Ų140110.4 Ų110.461%0.61452%0.52SS*.Hα-helixtrans-73-33.4172-158.7-87.8000112.7W603 R604 S605W603-F607 VanDerWaalsContact O-CB 3.28Å; W603-F607 WeakPolarHBondContact O-CB 3.31Å; W603-F607 PolarHBondContact O-N 3.31Å; R604-F607 PolarHBondContact O-N 3.31Å; S605-F607 VanDerWaalsContact C-N 3.35Å
608M44.3Very low51Low148 Ų148111 Ų11173%0.72951%0.512SS*.Hα-helixtrans-84.7-20.1177.8-71.2-163.8-64.100114.5R604 S605 R610R604-M608 WeakPolarHBondContact O-CG 3.48Å; R604-M608 PolarHBondContact O-N 2.91Å; S605-M608 PolarHBondContact O-N 2.87Å; M608-R610 VanDerWaalsContact C-N 3.34Å; M608-R610 PolarHBondContact O-N 3.29Å
609R51.6Low51.3Low186 Ų186117.9 Ų117.970%0.70254%0.537SS*.  trans-73.584.1173-95.3-171169.7-175.1-3.1111.7S605S605-R609 PolarHBondContact O-N 3.09Å
610R49.6Very low51.6Low214 Ų214116.8 Ų116.881%0.80853%0.53SS*.  trans-72.7132.6166.3-66.3179.6178.6175.5-2110.5M608 N617M608-R610 VanDerWaalsContact C-N 3.34Å; M608-R610 PolarHBondContact O-N 3.29Å; R610-N617 VanDerWaalsContact CA-OD1 3.31Å; R610-N617 WeakPolarHBondContact CA-OD1 3.38Å
611N49.7Very low52.4Low89 Ų89116 Ų11648%0.47653%0.527SS..  trans-63.2160164-162.8-58.9000109.5D613 L616 N617N611-D613 VanDerWaalsContact C-N 3.29Å; N611-D613 PolarHBondContact OD1-N 2.91Å; N611-D613 VanDerWaalsContact OD1-N 3.11Å; N611-L616 HydrophobicContact CB-CD2 4.46Å; N611-N617 PolarHBondContact N-OD1 2.9Å; N611-N617 PolarHBondContact O-ND2 3.44Å
612R53.6Low53.1Low204 Ų204116.4 Ų116.477%0.7752%0.521SS*.SBendtrans-71.1-24173.7-70.2-174.7-178.6147.53.4113T564 P614T564-R612 PolarHBondContact OG1-NH1 2.91Å; R612-P614 WeakPolarHBondContact O-CD 3.48Å
613D50.3Low53.7Low72 Ų72115.5 Ų115.539%0.38552%0.522SS..  trans-80.8116.3170.3177.210.3000111.1N611 Q615 L616 N617N611-D613 VanDerWaalsContact C-N 3.29Å; N611-D613 PolarHBondContact OD1-N 2.91Å; N611-D613 VanDerWaalsContact OD1-N 3.11Å; D613-Q615 VanDerWaalsContact C-N 3.34Å; D613-Q615 PolarHBondContact O-N 3.12Å; D613-Q615 PolarHBondContact OD1-N 2.95Å; D613-L616 HydrophobicContact CB-CB 4.05Å; D613-L616 WeakPolarHBondContact OD2-CB 3.48Å; D613-L616 PolarHBondContact OD2-N 3.04Å; D613-N617 PolarHBondContact O-N 2.81Å; D613-N617 PolarHBondContact O-ND2 2.93Å
614P54.1Low54.2Low95 Ų95113.5 Ų113.562%0.61752%0.515SS*.Hα-helixtrans-66-31.1175.828.5-35.1000113.5R612 N617 E618R612-P614 WeakPolarHBondContact O-CD 3.48Å; P614-N617 WeakPolarHBondContact O-CB 3.26Å; P614-N617 PolarHBondContact O-N 3.08Å; P614-E618 PolarHBondContact O-N 3.49Å
615Q55.1Low54.7Low117 Ų117109.7 Ų109.755%0.54751%0.511SS..Hα-helixtrans-70.6-40.7-179.5-64.8-165.1900111.5D613 N617 E618 R619D613-Q615 VanDerWaalsContact C-N 3.34Å; D613-Q615 PolarHBondContact O-N 3.12Å; D613-Q615 PolarHBondContact OD1-N 2.95Å; Q615-N617 VanDerWaalsContact C-N 3.31Å; Q615-N617 PolarHBondContact O-N 3.32Å; Q615-E618 PolarHBondContact O-N 3Å; Q615-R619 WeakPolarHBondContact O-CG 3.42Å; Q615-R619 PolarHBondContact O-N 3.26Å
616L52.9Low55.5Low73 Ų73111.9 Ų111.938%0.38252%0.517SS..Hα-helixtrans-61.7-39.4173.6-17656.8000111.7N611 D613 E618 R619 V620N611-L616 HydrophobicContact CB-CD2 4.46Å; D613-L616 HydrophobicContact CB-CB 4.05Å; D613-L616 WeakPolarHBondContact OD2-CB 3.48Å; D613-L616 PolarHBondContact OD2-N 3.04Å; L616-E618 PolarHBondContact O-N 2.96Å; L616-R619 PolarHBondContact O-N 3.24Å; L616-V620 HydrophobicContact CD1-CG2 4.15Å; L616-V620 HydrophobicContact CG-CG2 4.49Å; L616-V620 WeakPolarHBondContact O-CB 3.23Å; L616-V620 VanDerWaalsContact O-CG2 3.28Å; L616-V620 WeakPolarHBondContact O-CG2 3.49Å; L616-V620 PolarHBondContact O-N 2.94Å
617N54.9Low55.9Low44 Ų44116.8 Ų116.824%0.23554%0.538CS..Hα-helixtrans-61-43.2173.3-69.6-57.8000112.4R610 N611 D613 P614 Q615 V620 H621R610-N617 VanDerWaalsContact CA-OD1 3.31Å; R610-N617 WeakPolarHBondContact CA-OD1 3.38Å; N611-N617 PolarHBondContact N-OD1 2.9Å; N611-N617 PolarHBondContact O-ND2 3.44Å; D613-N617 PolarHBondContact O-N 2.81Å; D613-N617 PolarHBondContact O-ND2 2.93Å; P614-N617 WeakPolarHBondContact O-CB 3.26Å; P614-N617 PolarHBondContact O-N 3.08Å; Q615-N617 VanDerWaalsContact C-N 3.31Å; Q615-N617 PolarHBondContact O-N 3.32Å; N617-V620 PolarHBondContact O-N 3.1Å; N617-H621 WeakPolarHBondContact O-CB 3.29Å; N617-H621 PolarHBondContact O-N 2.98Å
618E61.5Low56.1Low124 Ų124114.1 Ų114.158%0.57954%0.537SS*.Hα-helixtrans-65.6-42.4178.4-167.9-172.6159.600111.8P614 Q615 L616 H621 R622P614-E618 PolarHBondContact O-N 3.49Å; Q615-E618 PolarHBondContact O-N 3Å; L616-E618 PolarHBondContact O-N 2.96Å; E618-H621 PolarHBondContact O-N 3.32Å; E618-R622 WeakPolarHBondContact O-CB 3.48Å; E618-R622 PolarHBondContact O-N 3.32Å
619R60.2Low57.3Low164 Ų164110 Ų11062%0.61952%0.52SS*.Hα-helixtrans-61.6-48.2174.8-69.1177.3-167.5-155.56.5111.5Q615 L616 H621 R622 V623Q615-R619 WeakPolarHBondContact O-CG 3.42Å; Q615-R619 PolarHBondContact O-N 3.26Å; L616-R619 PolarHBondContact O-N 3.24Å; R619-H621 VanDerWaalsContact C-N 3.33Å; R619-H621 PolarHBondContact O-N 2.99Å; R619-R622 PolarHBondContact O-N 2.68Å; R619-V623 WeakPolarHBondContact O-CG2 3.38Å; R619-V623 PolarHBondContact O-N 3.4Å
620V59.5Low58Low54 Ų54106 Ų10633%0.32751%0.512SS..Hα-helixtrans-63.4-38.1177.9169.10000111.6L616 N617 V623 R624L616-V620 HydrophobicContact CD1-CG2 4.15Å; L616-V620 HydrophobicContact CG-CG2 4.49Å; L616-V620 WeakPolarHBondContact O-CB 3.23Å; L616-V620 VanDerWaalsContact O-CG2 3.28Å; L616-V620 WeakPolarHBondContact O-CG2 3.49Å; L616-V620 PolarHBondContact O-N 2.94Å; N617-V620 PolarHBondContact O-N 3.1Å; V620-V623 PolarHBondContact O-N 3.42Å; V620-R624 VanDerWaalsContact CG1-CZ 3.5Å; V620-R624 VanDerWaalsContact O-CG 3.31Å; V620-R624 WeakPolarHBondContact O-CG 3.48Å; V620-R624 PolarHBondContact O-N 3.23Å
621H62.5Low58.7Low117 Ų117102.2 Ų102.254%0.54250%0.502SS..Hα-helixtrans-62.4-44.9172.7-175.6-78.7000111.7N617 E618 R619 R624 A625N617-H621 WeakPolarHBondContact O-CB 3.29Å; N617-H621 PolarHBondContact O-N 2.98Å; E618-H621 PolarHBondContact O-N 3.32Å; R619-H621 VanDerWaalsContact C-N 3.33Å; R619-H621 PolarHBondContact O-N 2.99Å; H621-R624 PolarHBondContact O-N 3.46Å; H621-A625 PolarHBondContact O-N 3.32Å
622R61.7Low59.2Low158 Ų15899.6 Ų99.660%0.59649%0.492SS*.Hα-helixtrans-63.2-43.3176.9-175.4-179.8-67.8-129.30.8112.2E618 R619 A625 L626E618-R622 WeakPolarHBondContact O-CB 3.48Å; E618-R622 PolarHBondContact O-N 3.32Å; R619-R622 PolarHBondContact O-N 2.68Å; R622-A625 PolarHBondContact O-N 3.06Å; R622-L626 HydrophobicContact CG-CD1 4Å; R622-L626 HydrophobicContact CG-CG 4.47Å; R622-L626 WeakPolarHBondContact O-CG 3.43Å; R622-L626 PolarHBondContact O-N 3.36Å
623V64Low60Low76 Ų7691.9 Ų91.946%0.46146%0.464SS..Hα-helixtrans-60.4-47.1176.5169.50000110.9R619 V620 A625 L626 Q627R619-V623 WeakPolarHBondContact O-CG2 3.38Å; R619-V623 PolarHBondContact O-N 3.4Å; V620-V623 PolarHBondContact O-N 3.42Å; V623-A625 VanDerWaalsContact C-N 3.34Å; V623-A625 PolarHBondContact O-N 2.94Å; V623-L626 PolarHBondContact O-N 3.5Å; V623-Q627 HydrophobicContact CG1-CG 4.28Å; V623-Q627 WeakPolarHBondContact O-CB 3.46Å; V623-Q627 WeakPolarHBondContact O-CG 3.48Å; V623-Q627 PolarHBondContact O-N 3.32Å
624R61.4Low60.7Low100 Ų10093 Ų9338%0.37747%0.47SS..Hα-helixtrans-60.9-40.2177.1-71.5168.9179.8169.6-1.2112.8V620 H621 S628V620-R624 VanDerWaalsContact CG1-CZ 3.5Å; V620-R624 VanDerWaalsContact O-CG 3.31Å; V620-R624 WeakPolarHBondContact O-CG 3.48Å; V620-R624 PolarHBondContact O-N 3.23Å; H621-R624 PolarHBondContact O-N 3.46Å; R624-S628 PolarHBondContact O-N 3.34Å
625A58.9Low61.2Low49 Ų4993.4 Ų93.441%0.40546%0.463SS..Hα-helixtrans-62.7-49.117500000111.4H621 R622 V623 Q627 S628 T629H621-A625 PolarHBondContact O-N 3.32Å; R622-A625 PolarHBondContact O-N 3.06Å; V623-A625 VanDerWaalsContact C-N 3.34Å; V623-A625 PolarHBondContact O-N 2.94Å; A625-Q627 PolarHBondContact O-N 3.16Å; A625-S628 WeakPolarHBondContact O-CB 3.36Å; A625-S628 PolarHBondContact O-N 3.09Å; A625-S628 VanDerWaalsContact O-N 3.14Å; A625-T629 PolarHBondContact O-N 2.87Å; A625-T629 PolarHBondContact O-OG1 3.42Å
626L64.5Low62.1Low110 Ų11088 Ų8858%0.57644%0.438SS*.Hα-helixtrans-62.8-39178.1-69.4170.3000112.7R622 V623 S628 T629 L630R622-L626 HydrophobicContact CG-CD1 4Å; R622-L626 HydrophobicContact CG-CG 4.47Å; R622-L626 WeakPolarHBondContact O-CG 3.43Å; R622-L626 PolarHBondContact O-N 3.36Å; V623-L626 PolarHBondContact O-N 3.5Å; L626-S628 VanDerWaalsContact C-N 3.33Å; L626-S628 PolarHBondContact O-N 2.9Å; L626-T629 PolarHBondContact O-N 3.48Å; L626-L630 VanDerWaalsContact O-CB 3.27Å; L626-L630 WeakPolarHBondContact O-CB 3.43Å; L626-L630 PolarHBondContact O-N 3.27Å
627Q55.7Low63Low118 Ų11889.4 Ų89.455%0.55145%0.446SS*.Hα-helixtrans-63.5-37.3173.8-75.1172.9-37.800112.1V623 A625 K631V623-Q627 HydrophobicContact CG1-CG 4.28Å; V623-Q627 WeakPolarHBondContact O-CB 3.46Å; V623-Q627 WeakPolarHBondContact O-CG 3.48Å; V623-Q627 PolarHBondContact O-N 3.32Å; A625-Q627 PolarHBondContact O-N 3.16Å; Q627-K631 WeakPolarHBondContact O-CB 3.48Å; Q627-K631 PolarHBondContact O-N 3.44Å
628S52.1Low63.7Low85 Ų8593.1 Ų93.159%0.59446%0.461SS*.Hα-helixtrans-67-43.4175.4-164.40000112.1R624 A625 L626 A632R624-S628 PolarHBondContact O-N 3.34Å; A625-S628 WeakPolarHBondContact O-CB 3.36Å; A625-S628 PolarHBondContact O-N 3.09Å; A625-S628 VanDerWaalsContact O-N 3.14Å; L626-S628 VanDerWaalsContact C-N 3.33Å; L626-S628 PolarHBondContact O-N 2.9Å; S628-A632 PolarHBondContact O-N 2.89Å
629T69.9Low64.2Low60 Ų6088.8 Ų88.837%0.36844%0.444SS..Hα-helixtrans-65.2-44.8174.9-57.40000111.2A625 L626 K631 A632 K633A625-T629 PolarHBondContact O-N 2.87Å; A625-T629 PolarHBondContact O-OG1 3.42Å; L626-T629 PolarHBondContact O-N 3.48Å; T629-K631 VanDerWaalsContact C-N 3.33Å; T629-K631 PolarHBondContact O-N 3.36Å; T629-A632 PolarHBondContact O-N 3.03Å; T629-K633 HydrophobicContact CG2-CG 4.42Å; T629-K633 WeakPolarHBondContact O-CG 3.15Å; T629-K633 PolarHBondContact O-N 2.69Å
630L65.9Low64.7Low102 Ų10281.7 Ų81.753%0.53442%0.418SS..Hα-helixtrans-59-43.2177.4178.261.8000111.7L626 A632 K633 L634L626-L630 VanDerWaalsContact O-CB 3.27Å; L626-L630 WeakPolarHBondContact O-CB 3.43Å; L626-L630 PolarHBondContact O-N 3.27Å; L630-A632 VanDerWaalsContact C-N 3.35Å; L630-A632 PolarHBondContact O-N 2.8Å; L630-K633 PolarHBondContact O-N 2.99Å; L630-L634 HydrophobicContact CD1-CD1 4.15Å; L630-L634 HydrophobicContact CD1-CG 4.14Å; L630-L634 HydrophobicContact CG-CD1 3.98Å; L630-L634 HydrophobicContact CG-CG 4.42Å; L630-L634 WeakPolarHBondContact O-CB 3.38Å; L630-L634 WeakPolarHBondContact O-CG 3.44Å; L630-L634 PolarHBondContact O-N 3.31Å
631K63.2Low65.4Low136 Ų13685.9 Ų85.959%0.59143%0.434SS*.Hα-helixtrans-61.5-42.3177-175.8173.8178.3177.70112.1Q627 T629 L634 Q635Q627-K631 WeakPolarHBondContact O-CB 3.48Å; Q627-K631 PolarHBondContact O-N 3.44Å; T629-K631 VanDerWaalsContact C-N 3.33Å; T629-K631 PolarHBondContact O-N 3.36Å; K631-L634 PolarHBondContact O-N 3.1Å; K631-Q635 PolarHBondContact O-N 3.42Å; K631-Q635 VanDerWaalsContact O-N 3.14Å
632A60.2Low66Low34 Ų3486.8 Ų86.828%0.28144%0.438SS..Hα-helixtrans-60.4-50.4174.200000111.2S628 T629 L630 L634 Q635 E636S628-A632 PolarHBondContact O-N 2.89Å; T629-A632 PolarHBondContact O-N 3.03Å; L630-A632 VanDerWaalsContact C-N 3.35Å; L630-A632 PolarHBondContact O-N 2.8Å; A632-L634 VanDerWaalsContact C-N 3.29Å; A632-L634 PolarHBondContact O-N 3.43Å; A632-Q635 PolarHBondContact O-N 2.91Å; A632-Q635 VanDerWaalsContact O-N 3.15Å; A632-E636 WeakPolarHBondContact O-CG 3.31Å; A632-E636 PolarHBondContact O-N 3.34Å
633K71.1Confident66.6Low41 Ų4179.7 Ų79.718%0.17841%0.412CS..Hα-helixtrans-62.7-29.3179.5-65.7-46.6-168.8169.90114.3P513 E515 T629 L630 E636 L637 E667P513-K633 PolarHBondContact O-NZ 3.32Å; E515-K633 WeakPolarHBondContact OE2-CE 3.49Å; E515-K633 IonicContact OE2-NZ 3.55Å; T629-K633 HydrophobicContact CG2-CG 4.42Å; T629-K633 WeakPolarHBondContact O-CG 3.15Å; T629-K633 PolarHBondContact O-N 2.69Å; L630-K633 PolarHBondContact O-N 2.99Å; K633-E636 WeakPolarHBondContact CD-OE2 3.49Å; K633-E636 WeakPolarHBondContact CE-OE2 3.47Å; K633-E636 IonicContact NZ-OE1 2.66Å; K633-E636 IonicContact NZ-OE2 3.36Å; K633-E636 PolarHBondContact NZ-OE2 2.82Å; K633-L637 PolarHBondContact O-N 2.95Å; K633-E667 IonicContact NZ-OE2 2.66Å; K633-E667 PolarHBondContact NZ-OE2 2.94Å
634L65.1Low66.9Low97 Ų9782 Ų8251%0.50842%0.421SS..Hα-helixtrans-72.7-40.9173-73.3170.2000112.7L630 K631 A632 E636 L637 Q638L630-L634 HydrophobicContact CD1-CD1 4.15Å; L630-L634 HydrophobicContact CD1-CG 4.14Å; L630-L634 HydrophobicContact CG-CD1 3.98Å; L630-L634 HydrophobicContact CG-CG 4.42Å; L630-L634 WeakPolarHBondContact O-CB 3.38Å; L630-L634 WeakPolarHBondContact O-CG 3.44Å; L630-L634 PolarHBondContact O-N 3.31Å; K631-L634 PolarHBondContact O-N 3.1Å; A632-L634 VanDerWaalsContact C-N 3.29Å; A632-L634 PolarHBondContact O-N 3.43Å; L634-E636 VanDerWaalsContact C-N 3.31Å; L634-L637 PolarHBondContact O-N 3.47Å; L634-Q638 PolarHBondContact O-N 2.92Å; L634-Q638 VanDerWaalsContact O-N 3.08Å
635Q64.8Low67.4Low102 Ų10280 Ų8048%0.47743%0.432SS..Hα-helixtrans-66.5-36.1174.2-68.8-173.7-108.500111.5K631 A632 V639K631-Q635 PolarHBondContact O-N 3.42Å; K631-Q635 VanDerWaalsContact O-N 3.14Å; A632-Q635 PolarHBondContact O-N 2.91Å; A632-Q635 VanDerWaalsContact O-N 3.15Å; Q635-V639 WeakPolarHBondContact O-CG2 3.49Å; Q635-V639 PolarHBondContact O-N 3.48Å
636E73.3Confident68.4Low5 Ų579.9 Ų79.92%0.02343%0.425CS..Hα-helixtrans-62.1-43.8171.7-69.6172.5-177.400111.8V476 Y477 P513 A632 K633 L634 L664V476-E636 HydrophobicContact CG1-CG 4.11Å; Y477-E636 PolarHBondContact OH-OE1 3.04Å; P513-E636 HydrophobicContact CG-CB 3.87Å; P513-E636 HydrophobicContact CG-CG 3.58Å; P513-E636 WeakPolarHBondContact CG-OE2 3.43Å; A632-E636 WeakPolarHBondContact O-CG 3.31Å; A632-E636 PolarHBondContact O-N 3.34Å; K633-E636 WeakPolarHBondContact CD-OE2 3.49Å; K633-E636 WeakPolarHBondContact CE-OE2 3.47Å; K633-E636 IonicContact NZ-OE1 2.66Å; K633-E636 IonicContact NZ-OE2 3.36Å; K633-E636 PolarHBondContact NZ-OE2 2.82Å; L634-E636 VanDerWaalsContact C-N 3.31Å; E636-L664 HydrophobicContact CB-CD2 4.06Å; E636-L664 WeakPolarHBondContact O-CD2 3.47Å
637L72.5Confident68.1Low102 Ų10280.8 Ų80.853%0.53444%0.437SS..Hα-helixtrans-60.4-47.6176.2-95.2161.5000113.1K633 L634 V639 L640 E641K633-L637 PolarHBondContact O-N 2.95Å; L634-L637 PolarHBondContact O-N 3.47Å; L637-V639 VanDerWaalsContact C-N 3.25Å; L637-V639 PolarHBondContact O-N 2.92Å; L637-L640 HydrophobicContact CD2-CD1 4.2Å; L637-L640 VanDerWaalsContact O-CB 3.28Å; L637-L640 WeakPolarHBondContact O-CB 3.27Å; L637-L640 PolarHBondContact O-N 3.16Å; L637-E641 PolarHBondContact O-N 2.93Å
638Q70Confident68.7Low121 Ų12182.3 Ų82.357%0.56544%0.444SS*.Hα-helixtrans-56.9-38.3-176.4-174.11756.100112.7L634 L640 E641 E642L634-Q638 PolarHBondContact O-N 2.92Å; L634-Q638 VanDerWaalsContact O-N 3.08Å; Q638-L640 PolarHBondContact O-N 3.27Å; Q638-E641 WeakPolarHBondContact O-CB 3.4Å; Q638-E641 PolarHBondContact O-N 3.33Å; Q638-E642 PolarHBondContact O-N 3.04Å
639V70.9Confident69.5Low34 Ų3481 Ų8121%0.20643%0.43CS..Hα-helixtrans-70-20.7-178.7174.70000112.8Q635 L637 W657 N661 L664Q635-V639 WeakPolarHBondContact O-CG2 3.49Å; Q635-V639 PolarHBondContact O-N 3.48Å; L637-V639 VanDerWaalsContact C-N 3.25Å; L637-V639 PolarHBondContact O-N 2.92Å; V639-W657 HydrophobicContact CG1-CZ2 4.45Å; V639-W657 VanDerWaalsContact O-CE2 3.31Å; V639-W657 VanDerWaalsContact O-CZ2 3.24Å; V639-W657 WeakPolarHBondContact O-CZ2 3.46Å; V639-W657 PolarHBondContact O-NE1 3Å; V639-N661 HydrophobicContact CG1-CB 4.36Å; V639-N661 VanDerWaalsContact CG1-ND2 3.33Å; V639-N661 WeakPolarHBondContact CG1-ND2 3.36Å; V639-N661 WeakPolarHBondContact CG1-OD1 3.31Å; V639-L664 HydrophobicContact CB-CD1 4.1Å; V639-L664 HydrophobicContact CG1-CD1 3.9Å
640L72Confident69.6Low14 Ų1481.6 Ų81.67%0.07343%0.434CS..Hα-helixtrans-75.8-40.8171.7-51.2168.7000111.8P512 L637 Q638 E642 V643 L644 W657 L664P512-L640 HydrophobicContact CB-CD1 3.85Å; P512-L640 HydrophobicContact CB-CD2 4.41Å; P512-L640 VanDerWaalsContact CD-CD1 3.41Å; P512-L640 HydrophobicContact CG-CD1 3.45Å; P512-L640 VanDerWaalsContact CG-CD1 3.45Å; P512-L640 HydrophobicContact CG-CD2 4.39Å; L637-L640 HydrophobicContact CD2-CD1 4.2Å; L637-L640 VanDerWaalsContact O-CB 3.28Å; L637-L640 WeakPolarHBondContact O-CB 3.27Å; L637-L640 PolarHBondContact O-N 3.16Å; Q638-L640 PolarHBondContact O-N 3.27Å; L640-E642 VanDerWaalsContact C-N 3.29Å; L640-E642 PolarHBondContact O-N 2.94Å; L640-V643 PolarHBondContact O-N 3.13Å; L640-L644 WeakPolarHBondContact O-CG 3.49Å; L640-L644 PolarHBondContact O-N 2.74Å; L640-L644 VanDerWaalsContact O-N 3.12Å; L640-W657 HydrophobicContact CD2-CH2 3.57Å; L640-W657 HydrophobicContact CD2-CZ2 3.78Å; L640-L664 HydrophobicContact CD2-CD2 3.56Å; L640-L664 HydrophobicContact CG-CD2 3.99Å
641E73.5Confident69.8Low142 Ų14279.3 Ų79.366%0.66444%0.435SS*.Hα-helixtrans-63.7-38.8-176.6-158.9162.9-150.900110.4L637 Q638 V643 L644 G645L637-E641 PolarHBondContact O-N 2.93Å; Q638-E641 WeakPolarHBondContact O-CB 3.4Å; Q638-E641 PolarHBondContact O-N 3.33Å; E641-V643 VanDerWaalsContact C-N 3.3Å; E641-V643 PolarHBondContact O-N 3.42Å; E641-L644 PolarHBondContact O-N 3.31Å; E641-G645 PolarHBondContact O-N 3.39Å
642E75Confident70.2Confident137 Ų13779.8 Ų79.864%0.6444%0.439SS*.Hα-helixtrans-56.5-34.6174.2-71.7-170.8141.200114.4Q638 L640Q638-E642 PolarHBondContact O-N 3.04Å; L640-E642 VanDerWaalsContact C-N 3.29Å; L640-E642 PolarHBondContact O-N 2.94Å
643V74.1Confident70.7Confident8 Ų881.5 Ų81.55%0.04844%0.441CS..Hα-helixtrans-88.4-34.3178.290.90000113L640 E641 G645 D646 L649 F654 W657L640-V643 PolarHBondContact O-N 3.13Å; E641-V643 VanDerWaalsContact C-N 3.3Å; E641-V643 PolarHBondContact O-N 3.42Å; V643-G645 PolarHBondContact O-N 3.06Å; V643-D646 PolarHBondContact O-N 3.46Å; V643-L649 HydrophobicContact CG2-CD1 3.63Å; V643-F654 HydrophobicContact CG1-CD2 4.12Å; V643-F654 HydrophobicContact CG1-CE2 3.93Å; V643-F654 HydrophobicContact CG2-CD2 3.97Å; V643-W657 HydrophobicContact CB-CB 4.4Å; V643-W657 HydrophobicContact CB-CD2 3.54Å; V643-W657 HydrophobicContact CB-CE3 4.12Å; V643-W657 HydrophobicContact CB-CG 3.63Å; V643-W657 HydrophobicContact CB-CZ2 4.31Å; V643-W657 HydrophobicContact CG1-CD2 3.58Å; V643-W657 HydrophobicContact CG1-CE3 3.67Å; V643-W657 HydrophobicContact CG1-CG 4.21Å; V643-W657 HydrophobicContact CG1-CH2 3.95Å; V643-W657 HydrophobicContact CG1-CZ2 3.86Å; V643-W657 HydrophobicContact CG1-CZ3 3.86Å; V643-W657 HydrophobicContact CG2-CB 3.66Å; V643-W657 HydrophobicContact CG2-CD2 3.67Å; V643-W657 HydrophobicContact CG2-CE3 4.11Å; V643-W657 HydrophobicContact CG2-CG 3.42Å; V643-W657 VanDerWaalsContact CG2-CG 3.42Å
644L71.7Confident70.7Confident124 Ų12480.4 Ų80.465%0.64944%0.436SS*.Hα-helixtrans-70-23.1178.2-67171.2000111.2L640 E641L640-L644 WeakPolarHBondContact O-CG 3.49Å; L640-L644 PolarHBondContact O-N 2.74Å; L640-L644 VanDerWaalsContact O-N 3.12Å; E641-L644 PolarHBondContact O-N 3.31Å
645G71.6Confident70.8Confident59 Ų5980 Ų8061%0.60843%0.428SS*.THydrogen-bonded Turntrans-86.5-3.4173.500000116.8E641 V643 P647E641-G645 PolarHBondContact O-N 3.39Å; V643-G645 PolarHBondContact O-N 3.06Å; G645-P647 VanDerWaalsContact O-CD 3.23Å; G645-P647 WeakPolarHBondContact O-CD 3.34Å
646D78.9Confident71.1Confident46 Ų4679.8 Ų79.825%0.24643%0.427CS..  trans-75.5112.2177.3179.60.9000111V643 E648 L649 K653V643-D646 PolarHBondContact O-N 3.46Å; D646-E648 VanDerWaalsContact C-N 3.26Å; D646-E648 PolarHBondContact O-N 3.1Å; D646-E648 WeakPolarHBondContact OD1-CA 3.47Å; D646-E648 PolarHBondContact OD1-N 3.23Å; D646-L649 HydrophobicContact CB-CB 4.16Å; D646-L649 HydrophobicContact CB-CD1 4.34Å; D646-L649 VanDerWaalsContact O-CB 3.28Å; D646-L649 WeakPolarHBondContact O-CB 3.33Å; D646-L649 PolarHBondContact O-N 3.4Å; D646-K653 VanDerWaalsContact CG-NZ 3.31Å; D646-K653 IonicContact OD1-NZ 2.71Å; D646-K653 PolarHBondContact OD1-NZ 3.09Å; D646-K653 WeakPolarHBondContact OD2-CD 3.28Å; D646-K653 WeakPolarHBondContact OD2-CE 3.39Å; D646-K653 IonicContact OD2-NZ 2.64Å; D646-K653 PolarHBondContact OD2-NZ 2.96Å
647P58.5Low71.3Confident130 Ų13080.6 Ų80.684%0.84443%0.43SS*.THydrogen-bonded Turntrans-73.5-17.1-177.932.3-36.5000113.1G645G645-P647 VanDerWaalsContact O-CD 3.23Å; G645-P647 WeakPolarHBondContact O-CD 3.34Å
648E69.3Low70.8Confident149 Ų14978.1 Ų78.170%0.69642%0.415SS*.THydrogen-bonded Turntrans-108.638173.7-65.7-163.216000111D646 T650 K653D646-E648 VanDerWaalsContact C-N 3.26Å; D646-E648 PolarHBondContact O-N 3.1Å; D646-E648 WeakPolarHBondContact OD1-CA 3.47Å; D646-E648 PolarHBondContact OD1-N 3.23Å; E648-T650 PolarHBondContact O-N 2.85Å; E648-K653 WeakPolarHBondContact O-CE 3.41Å; E648-K653 PolarHBondContact O-NZ 3.31Å
649L68.4Low70.6Confident58 Ų5874.2 Ų74.230%0.30440%0.396SS..  trans-67.290.3-179.6-173.864.7000112.3V643 D646 K653 F654V643-L649 HydrophobicContact CG2-CD1 3.63Å; D646-L649 HydrophobicContact CB-CB 4.16Å; D646-L649 HydrophobicContact CB-CD1 4.34Å; D646-L649 VanDerWaalsContact O-CB 3.28Å; D646-L649 WeakPolarHBondContact O-CB 3.33Å; D646-L649 PolarHBondContact O-N 3.4Å; L649-K653 HydrophobicContact CD1-CB 4.17Å; L649-F654 HydrophobicContact CD1-CB 3.63Å; L649-F654 HydrophobicContact CD1-CD2 4.35Å; L649-F654 HydrophobicContact CD1-CG 4.1Å; L649-F654 HydrophobicContact CD2-CB 4.17Å; L649-F654 HydrophobicContact CD2-CD1 4Å; L649-F654 HydrophobicContact CD2-CD2 4.15Å; L649-F654 HydrophobicContact CD2-CG 3.85Å; L649-F654 HydrophobicContact CG-CB 3.87Å; L649-F654 HydrophobicContact CG-CG 4.13Å
650T70.5Confident70.1Confident73 Ų7378.3 Ų78.345%0.44841%0.413SS..  trans-78.9159.3176.669.80000112.4E648 E652 K653 F654E648-T650 PolarHBondContact O-N 2.85Å; T650-E652 PolarHBondContact O-N 3.14Å; T650-E652 PolarHBondContact OG1-N 3.42Å; T650-K653 PolarHBondContact O-N 3.5Å; T650-K653 PolarHBondContact OG1-N 2.91Å; T650-F654 PolarHBondContact O-N 3.25Å
651G70.2Confident69.9Low54 Ų5478.7 Ų78.756%0.55742%0.415SS*.THydrogen-bonded Turntrans-6715.1170.600000115.5G508 R655G508-G651 WeakPolarHBondContact CA-O 3.35Å; G651-R655 PolarHBondContact O-NH2 2.84Å
652E71.6Confident69.2Low145 Ų14573 Ų7368%0.67839%0.388SS*.THydrogen-bonded Turntrans-129.6-10.3173.2-162.9157.9-121.600112.5P507 T650 Q656P507-E652 HydrophobicContact CB-CG 4.44Å; P507-E652 CarbonylContact O-C 3.59Å; P507-E652 VanDerWaalsContact O-CA 3.23Å; P507-E652 WeakPolarHBondContact O-CA 3.46Å; T650-E652 PolarHBondContact O-N 3.14Å; T650-E652 PolarHBondContact OG1-N 3.42Å; E652-Q656 WeakPolarHBondContact O-CB 3.06Å
653K71.1Confident68.7Low71 Ų7166.5 Ų66.531%0.30936%0.358SS..THydrogen-bonded Turntrans-87.3-43.2160.9-69.6-177.3-178.4170.60112.3D646 E648 L649 T650 R655 Q656 W657D646-K653 VanDerWaalsContact CG-NZ 3.31Å; D646-K653 IonicContact OD1-NZ 2.71Å; D646-K653 PolarHBondContact OD1-NZ 3.09Å; D646-K653 WeakPolarHBondContact OD2-CD 3.28Å; D646-K653 WeakPolarHBondContact OD2-CE 3.39Å; D646-K653 IonicContact OD2-NZ 2.64Å; D646-K653 PolarHBondContact OD2-NZ 2.96Å; E648-K653 WeakPolarHBondContact O-CE 3.41Å; E648-K653 PolarHBondContact O-NZ 3.31Å; L649-K653 HydrophobicContact CD1-CB 4.17Å; T650-K653 PolarHBondContact O-N 3.5Å; T650-K653 PolarHBondContact OG1-N 2.91Å; K653-R655 PolarHBondContact O-N 3.24Å; K653-Q656 CarbonylContact O-C 3.35Å; K653-Q656 WeakPolarHBondContact O-CA 3.41Å; K653-Q656 VanDerWaalsContact O-CB 3.29Å; K653-Q656 WeakPolarHBondContact O-CB 3.46Å; K653-Q656 PolarHBondContact O-N 3.48Å; K653-W657 PolarHBondContact O-N 3.1Å
654F71.8Confident68Low18 Ų1866.2 Ų66.28%0.07936%0.356CS..Hα-helixtrans-70.5-34-161.6-174.3-163.4000115.7R509 A510 V643 L649 T650 W657 K658R509-F654 VanDerWaalsContact CA-CD1 3.46Å; R509-F654 HydrophobicContact CB-CD1 4.15Å; R509-F654 HydrophobicContact CB-CE1 4.2Å; R509-F654 VanDerWaalsContact CD-CE1 3.45Å; R509-F654 HydrophobicContact CG-CD1 4.1Å; R509-F654 HydrophobicContact CG-CE1 3.7Å; R509-F654 HydrophobicContact CG-CZ 4.42Å; A510-F654 WeakPolarHBondContact O-CE2 3.27Å; A510-F654 WeakPolarHBondContact O-CZ 3.28Å; V643-F654 HydrophobicContact CG1-CD2 4.12Å; V643-F654 HydrophobicContact CG1-CE2 3.93Å; V643-F654 HydrophobicContact CG2-CD2 3.97Å; L649-F654 HydrophobicContact CD1-CB 3.63Å; L649-F654 HydrophobicContact CD1-CD2 4.35Å; L649-F654 HydrophobicContact CD1-CG 4.1Å; L649-F654 HydrophobicContact CD2-CB 4.17Å; L649-F654 HydrophobicContact CD2-CD1 4Å; L649-F654 HydrophobicContact CD2-CD2 4.15Å; L649-F654 HydrophobicContact CD2-CG 3.85Å; L649-F654 HydrophobicContact CG-CB 3.87Å; L649-F654 HydrophobicContact CG-CG 4.13Å; T650-F654 PolarHBondContact O-N 3.25Å; F654-W657 HydrophobicContact CD2-CE3 4.09Å; F654-W657 HydrophobicContact CE2-CE3 4.05Å; F654-W657 HydrophobicContact CE2-CZ3 4.08Å; F654-K658 PolarHBondContact O-N 3.38Å
655R68.1Low67.4Low88 Ų8863.3 Ų63.333%0.33234%0.337SS..Hα-helixtrans-87.3-14165.353.763.8-116.313516111.3S506 P507 G508 R509 G651 K653 W657 K658 E659S506-R655 VanDerWaalsContact C-CD 3.43Å; S506-R655 CarbonylContact O-C 3.57Å; S506-R655 WeakPolarHBondContact O-CA 3.2Å; S506-R655 WeakPolarHBondContact O-CB 3.24Å; S506-R655 WeakPolarHBondContact O-CD 3.21Å; S506-R655 WeakPolarHBondContact O-CG 3.14Å; S506-R655 WeakPolarHBondContact OG-CD 3.41Å; P507-R655 VanDerWaalsContact CD-NH1 3.33Å; P507-R655 VanDerWaalsContact N-NH1 3.16Å; P507-R655 CarbonylContact O-C 3.46Å; P507-R655 WeakPolarHBondContact O-CA 3.43Å; P507-R655 PolarHBondContact O-N 3.35Å; G508-R655 VanDerWaalsContact C-CG 3.48Å; G508-R655 VanDerWaalsContact CA-CA 3.5Å; G508-R655 VanDerWaalsContact CA-NE 3.34Å; R509-R655 WeakPolarHBondContact O-CG 3.39Å; G651-R655 PolarHBondContact O-NH2 2.84Å; K653-R655 PolarHBondContact O-N 3.24Å; R655-W657 PolarHBondContact O-N 3.08Å; R655-K658 HydrophobicContact CB-CB 3.32Å; R655-K658 HydrophobicContact CB-CD 3.41Å; R655-K658 VanDerWaalsContact CB-CD 3.41Å; R655-K658 HydrophobicContact CB-CG 3.98Å; R655-K658 HydrophobicContact CG-CD 3.73Å; R655-K658 CarbonylContact O-C 3.42Å; R655-K658 WeakPolarHBondContact O-CA 3.38Å; R655-K658 VanDerWaalsContact O-CB 3.25Å; R655-K658 WeakPolarHBondContact O-CB 3.5Å; R655-K658 PolarHBondContact O-N 2.83Å; R655-E659 VanDerWaalsContact O-CB 3.28Å; R655-E659 WeakPolarHBondContact O-CB 3.32Å; R655-E659 PolarHBondContact O-N 2.96Å
656Q69.3Low66.9Low98 Ų9861.9 Ų61.946%0.45832%0.318SS..Hα-helixtrans-65.3-36.4166.7-169.3170.372.200110.3P507 E652 K653 E659 Q660P507-Q656 HydrophobicContact CB-CB 4.46Å; P507-Q656 PolarHBondContact O-N 3.47Å; E652-Q656 WeakPolarHBondContact O-CB 3.06Å; K653-Q656 CarbonylContact O-C 3.35Å; K653-Q656 WeakPolarHBondContact O-CA 3.41Å; K653-Q656 VanDerWaalsContact O-CB 3.29Å; K653-Q656 WeakPolarHBondContact O-CB 3.46Å; K653-Q656 PolarHBondContact O-N 3.48Å; Q656-E659 WeakPolarHBondContact CA-OE2 3.43Å; Q656-E659 WeakPolarHBondContact O-CB 3.44Å; Q656-E659 PolarHBondContact O-N 3.49Å; Q656-Q660 VanDerWaalsContact O-CD 3.3Å; Q656-Q660 PolarHBondContact O-N 3.11Å; Q656-Q660 PolarHBondContact O-OE1 2.82Å
657W77.4Confident66.2Low22 Ų2261.9 Ų61.98%0.08332%0.317CS..Hα-helixtrans-68-43.8164.2174.193.1000113.1A510 V639 L640 V643 K653 F654 R655 E659 Q660 N661 Y665A510-W657 WeakPolarHBondContact O-CZ3 3.48Å; V639-W657 HydrophobicContact CG1-CZ2 4.45Å; V639-W657 VanDerWaalsContact O-CE2 3.31Å; V639-W657 VanDerWaalsContact O-CZ2 3.24Å; V639-W657 WeakPolarHBondContact O-CZ2 3.46Å; V639-W657 PolarHBondContact O-NE1 3Å; L640-W657 HydrophobicContact CD2-CH2 3.57Å; L640-W657 HydrophobicContact CD2-CZ2 3.78Å; V643-W657 HydrophobicContact CB-CB 4.4Å; V643-W657 HydrophobicContact CB-CD2 3.54Å; V643-W657 HydrophobicContact CB-CE3 4.12Å; V643-W657 HydrophobicContact CB-CG 3.63Å; V643-W657 HydrophobicContact CB-CZ2 4.31Å; V643-W657 HydrophobicContact CG1-CD2 3.58Å; V643-W657 HydrophobicContact CG1-CE3 3.67Å; V643-W657 HydrophobicContact CG1-CG 4.21Å; V643-W657 HydrophobicContact CG1-CH2 3.95Å; V643-W657 HydrophobicContact CG1-CZ2 3.86Å; V643-W657 HydrophobicContact CG1-CZ3 3.86Å; V643-W657 HydrophobicContact CG2-CB 3.66Å; V643-W657 HydrophobicContact CG2-CD2 3.67Å; V643-W657 HydrophobicContact CG2-CE3 4.11Å; V643-W657 HydrophobicContact CG2-CG 3.42Å; V643-W657 VanDerWaalsContact CG2-CG 3.42Å; K653-W657 PolarHBondContact O-N 3.1Å; F654-W657 HydrophobicContact CD2-CE3 4.09Å; F654-W657 HydrophobicContact CE2-CE3 4.05Å; F654-W657 HydrophobicContact CE2-CZ3 4.08Å; R655-W657 PolarHBondContact O-N 3.08Å; W657-E659 PolarHBondContact O-N 2.82Å; W657-E659 VanDerWaalsContact O-N 3.16Å; W657-Q660 PolarHBondContact O-N 2.95Å; W657-N661 HydrophobicContact CD2-CB 4.28Å; W657-N661 HydrophobicContact CH2-CB 4.34Å; W657-N661 HydrophobicContact CZ2-CB 3.94Å; W657-N661 PolarHBondContact NE1-ND2 2.94Å; W657-N661 WeakPolarHBondContact O-CB 3.28Å; W657-N661 PolarHBondContact O-N 2.91Å; W657-N661 PolarHBondContact O-ND2 3.42Å; W657-Y665 AromaticContact CH2-CD2 3.6Å; W657-Y665 HydrophobicContact CH2-CD2 3.6Å; W657-Y665 HydrophobicContact CH2-CE2 4.29Å; W657-Y665 AromaticContact CZ3-CD2 3.48Å; W657-Y665 HydrophobicContact CZ3-CD2 3.48Å; W657-Y665 VanDerWaalsContact CZ3-CD2 3.48Å; W657-Y665 HydrophobicContact CZ3-CE2 4.14Å
658K63.6Low66Low50 Ų5056.3 Ų56.322%0.21728%0.281CS..Hα-helixtrans-53.7-33.5168.4177.6-167.4-149.6145.60112.5R509 A510 F654 R655 Q660 N661 Q662R509-K658 PolarHBondContact O-NZ 3.42Å; R509-K658 VanDerWaalsContact O-NZ 3.08Å; A510-K658 HydrophobicContact CB-CB 3.39Å; A510-K658 HydrophobicContact CB-CD 3.38Å; A510-K658 VanDerWaalsContact CB-CE 3.47Å; A510-K658 HydrophobicContact CB-CG 3.19Å; F654-K658 PolarHBondContact O-N 3.38Å; R655-K658 HydrophobicContact CB-CB 3.32Å; R655-K658 HydrophobicContact CB-CD 3.41Å; R655-K658 VanDerWaalsContact CB-CD 3.41Å; R655-K658 HydrophobicContact CB-CG 3.98Å; R655-K658 HydrophobicContact CG-CD 3.73Å; R655-K658 CarbonylContact O-C 3.42Å; R655-K658 WeakPolarHBondContact O-CA 3.38Å; R655-K658 VanDerWaalsContact O-CB 3.25Å; R655-K658 WeakPolarHBondContact O-CB 3.5Å; R655-K658 PolarHBondContact O-N 2.83Å; K658-Q660 VanDerWaalsContact C-N 3.33Å; K658-N661 CarbonylContact O-C 3.57Å; K658-N661 PolarHBondContact O-N 3.13Å; K658-Q662 HydrophobicContact CG-CG 4.37Å; K658-Q662 WeakPolarHBondContact O-CA 3.4Å; K658-Q662 WeakPolarHBondContact O-CB 3.42Å; K658-Q662 PolarHBondContact O-N 2.82Å
659E64.9Low65.2Low38 Ų3854.5 Ų54.518%0.17828%0.276CS..Hα-helixtrans-63.4-46.4-174.4-132.2147-155.600109.7Q505 S506 P507 R655 Q656 W657Q505-E659 HydrophobicContact CB-CG 3.37Å; Q505-E659 HydrophobicContact CG-CG 3.7Å; Q505-E659 PolarHBondContact NE2-O 2.84Å; S506-E659 VanDerWaalsContact C-CD 3.4Å; S506-E659 WeakPolarHBondContact CA-OE1 3.26Å; S506-E659 PolarHBondContact N-OE1 2.82Å; P507-E659 WeakPolarHBondContact CD-OE1 3.41Å; R655-E659 VanDerWaalsContact O-CB 3.28Å; R655-E659 WeakPolarHBondContact O-CB 3.32Å; R655-E659 PolarHBondContact O-N 2.96Å; Q656-E659 WeakPolarHBondContact CA-OE2 3.43Å; Q656-E659 WeakPolarHBondContact O-CB 3.44Å; Q656-E659 PolarHBondContact O-N 3.49Å; W657-E659 PolarHBondContact O-N 2.82Å; W657-E659 VanDerWaalsContact O-N 3.16Å
660Q61.4Low64.4Low121 Ų12153 Ų5357%0.56528%0.275SS*.Hα-helixtrans-72.5-41.7174.2-65152.8-1.400110Q656 W657 K658Q656-Q660 VanDerWaalsContact O-CD 3.3Å; Q656-Q660 PolarHBondContact O-N 3.11Å; Q656-Q660 PolarHBondContact O-OE1 2.82Å; W657-Q660 PolarHBondContact O-N 2.95Å; K658-Q660 VanDerWaalsContact C-N 3.33Å
661N68Low63.5Low22 Ų2251.3 Ų51.312%0.11827%0.268CS..SBendtrans-107.649.8-172.9-63.1-51.1000110.9V639 W657 K658 L664 Y665V639-N661 HydrophobicContact CG1-CB 4.36Å; V639-N661 VanDerWaalsContact CG1-ND2 3.33Å; V639-N661 WeakPolarHBondContact CG1-ND2 3.36Å; V639-N661 WeakPolarHBondContact CG1-OD1 3.31Å; W657-N661 HydrophobicContact CD2-CB 4.28Å; W657-N661 HydrophobicContact CH2-CB 4.34Å; W657-N661 HydrophobicContact CZ2-CB 3.94Å; W657-N661 PolarHBondContact NE1-ND2 2.94Å; W657-N661 WeakPolarHBondContact O-CB 3.28Å; W657-N661 PolarHBondContact O-N 2.91Å; W657-N661 PolarHBondContact O-ND2 3.42Å; K658-N661 CarbonylContact O-C 3.57Å; K658-N661 PolarHBondContact O-N 3.13Å; N661-L664 HydrophobicContact CB-CB 3.54Å; N661-L664 HydrophobicContact CB-CD1 4.26Å; N661-L664 HydrophobicContact CB-CG 4.49Å; N661-L664 CarbonylContact O-C 3.56Å; N661-L664 WeakPolarHBondContact O-CA 3.4Å; N661-L664 VanDerWaalsContact O-CB 3.24Å; N661-L664 WeakPolarHBondContact O-CB 3.48Å; N661-L664 PolarHBondContact O-N 2.71Å; N661-Y665 PolarHBondContact O-N 3.21Å; N661-Y665 VanDerWaalsContact O-N 3.16Å
662Q58.1Low62.1Low21 Ų2158.5 Ų58.510%0.09828%0.279CS..SBendtrans-88.6-28.8-172.3-159.6172.6-2.700113.4S454 N455 Y504 K658 S666S454-Q662 PolarHBondContact O-OE1 3.29Å; N455-Q662 HydrophobicContact CB-CB 4.45Å; N455-Q662 PolarHBondContact ND2-O 3.31Å; N455-Q662 WeakPolarHBondContact OD1-CB 3.46Å; N455-Q662 VanDerWaalsContact OD1-CD 3.31Å; N455-Q662 WeakPolarHBondContact OD1-CG 3.31Å; Y504-Q662 PolarHBondContact O-NE2 3.29Å; Y504-Q662 PolarHBondContact O-OE1 3.47Å; K658-Q662 HydrophobicContact CG-CG 4.37Å; K658-Q662 WeakPolarHBondContact O-CA 3.4Å; K658-Q662 WeakPolarHBondContact O-CB 3.42Å; K658-Q662 PolarHBondContact O-N 2.82Å; Q662-S666 PolarHBondContact O-OG 3.04Å
663E64.8Low60.7Low1 Ų153.6 Ų53.61%0.00527%0.267CS..G310 helixtrans-51.3-57.9153.7-58.7-70.445.900106.3N455 Y456 Y477 P513 C518 Y665 S666N455-E663 VanDerWaalsContact CB-CD 3.46Å; N455-E663 HydrophobicContact CB-CG 3.76Å; N455-E663 WeakPolarHBondContact CB-OE1 3.03Å; N455-E663 WeakPolarHBondContact ND2-CA 3.31Å; N455-E663 PolarHBondContact ND2-N 3.49Å; N455-E663 PolarHBondContact ND2-OE1 2.84Å; Y456-E663 VanDerWaalsContact CE2-OE2 3.28Å; Y456-E663 WeakPolarHBondContact CE2-OE2 3.3Å; Y477-E663 HydrophobicContact CD2-CG 3.79Å; Y477-E663 WeakPolarHBondContact CD2-OE2 3.34Å; Y477-E663 HydrophobicContact CE2-CB 3.78Å; Y477-E663 HydrophobicContact CE2-CG 3.56Å; P513-E663 WeakPolarHBondContact CA-O 3.37Å; P513-E663 VanDerWaalsContact CB-C 3.41Å; P513-E663 HydrophobicContact CB-CB 3.94Å; C518-E663 WeakPolarHBondContact CB-OE2 3.49Å; C518-E663 PolarHBondContact SG-OE1 2.93Å; E663-Y665 PolarHBondContact O-N 3.43Å; E663-S666 WeakPolarHBondContact O-CB 3.48Å; E663-S666 PolarHBondContact O-N 3.39Å; E663-S666 VanDerWaalsContact O-N 3.07Å; E663-S666 PolarHBondContact O-OG 2.88Å
664L58.1Low59.4Low2 Ų254.5 Ų54.51%0.0128%0.278CS..G310 helixtrans-61.715.3-176.2-97.8152.6000116.8P511 P512 P513 E636 V639 L640 N661P511-L664 CarbonylContact C-O 3.59Å; P512-L664 CarbonylContact C-O 3.56Å; P512-L664 WeakPolarHBondContact CA-O 3.44Å; P512-L664 CarbonylContact O-C 3.56Å; P513-L664 HydrophobicContact CB-CB 4.31Å; P513-L664 HydrophobicContact CB-CD2 4.48Å; P513-L664 HydrophobicContact CB-CG 3.94Å; P513-L664 HydrophobicContact CG-CD2 3.85Å; P513-L664 HydrophobicContact CG-CG 3.73Å; E636-L664 HydrophobicContact CB-CD2 4.06Å; E636-L664 WeakPolarHBondContact O-CD2 3.47Å; V639-L664 HydrophobicContact CB-CD1 4.1Å; V639-L664 HydrophobicContact CG1-CD1 3.9Å; L640-L664 HydrophobicContact CD2-CD2 3.56Å; L640-L664 HydrophobicContact CG-CD2 3.99Å; N661-L664 HydrophobicContact CB-CB 3.54Å; N661-L664 HydrophobicContact CB-CD1 4.26Å; N661-L664 HydrophobicContact CB-CG 4.49Å; N661-L664 CarbonylContact O-C 3.56Å; N661-L664 WeakPolarHBondContact O-CA 3.4Å; N661-L664 VanDerWaalsContact O-CB 3.24Å; N661-L664 WeakPolarHBondContact O-CB 3.48Å; N661-L664 PolarHBondContact O-N 2.71Å
665Y60.1Low57.8Low64 Ų6457.3 Ų57.325%0.25130%0.304SS..G310 helixtrans-135.433.6163.6-132-101.3000116A510 P511 P512 W657 N661 E663 L669A510-Y665 VanDerWaalsContact CA-CZ 3.48Å; A510-Y665 HydrophobicContact CB-CD1 2.98Å; A510-Y665 HydrophobicContact CB-CD2 3.86Å; A510-Y665 HydrophobicContact CB-CE1 3.96Å; A510-Y665 HydrophobicContact CB-CG 2.91Å; A510-Y665 WeakPolarHBondContact O-CD1 3.47Å; A510-Y665 WeakPolarHBondContact O-CD2 3.45Å; A510-Y665 VanDerWaalsContact O-CE1 3.31Å; A510-Y665 WeakPolarHBondContact O-CE1 3.03Å; A510-Y665 WeakPolarHBondContact O-CE2 3.1Å; P511-Y665 VanDerWaalsContact C-CD2 3.46Å; P511-Y665 HydrophobicContact CB-CD2 3.99Å; P511-Y665 HydrophobicContact CB-CE1 3.99Å; P511-Y665 HydrophobicContact CB-CE2 3.29Å; P511-Y665 HydrophobicContact CG-CD1 4.04Å; P511-Y665 HydrophobicContact CG-CE1 3.48Å; P511-Y665 VanDerWaalsContact CG-CE1 3.48Å; P511-Y665 HydrophobicContact CG-CE2 4.09Å; P511-Y665 VanDerWaalsContact CG-CZ 3.5Å; P511-Y665 CarbonylContact O-C 3.36Å; P511-Y665 VanDerWaalsContact O-C 3.23Å; P511-Y665 VanDerWaalsContact O-CA 3.29Å; P511-Y665 WeakPolarHBondContact O-CA 3.39Å; P512-Y665 CarbonylContact O-C 3.5Å; P512-Y665 VanDerWaalsContact O-CA 3.3Å; P512-Y665 WeakPolarHBondContact O-CA 3.32Å; P512-Y665 PolarHBondContact O-N 3.09Å; P512-Y665 VanDerWaalsContact O-N 3.12Å; W657-Y665 AromaticContact CH2-CD2 3.6Å; W657-Y665 HydrophobicContact CH2-CD2 3.6Å; W657-Y665 HydrophobicContact CH2-CE2 4.29Å; W657-Y665 AromaticContact CZ3-CD2 3.48Å; W657-Y665 HydrophobicContact CZ3-CD2 3.48Å; W657-Y665 VanDerWaalsContact CZ3-CD2 3.48Å; W657-Y665 HydrophobicContact CZ3-CE2 4.14Å; N661-Y665 PolarHBondContact O-N 3.21Å; N661-Y665 VanDerWaalsContact O-N 3.16Å; E663-Y665 PolarHBondContact O-N 3.43Å; Y665-L669 HydrophobicContact CD1-CD1 3.85Å
666S61.2Low56.5Low29 Ų2960.5 Ų60.520%0.20332%0.323CS..SBendtrans-114.3-37.3175.8-49.30000115.6P511 P512 Q662 E663 A668 G670P511-S666 PolarHBondContact O-N 3.26Å; P512-S666 CarbonylContact O-C 3.56Å; P512-S666 PolarHBondContact O-N 3.03Å; Q662-S666 PolarHBondContact O-OG 3.04Å; E663-S666 WeakPolarHBondContact O-CB 3.48Å; E663-S666 PolarHBondContact O-N 3.39Å; E663-S666 VanDerWaalsContact O-N 3.07Å; E663-S666 PolarHBondContact O-OG 2.88Å; S666-A668 PolarHBondContact O-N 3.24Å; S666-G670 PolarHBondContact O-N 2.84Å
667E63.3Low55.2Low46 Ų4659 Ų5922%0.21533%0.328CS..Hα-helixtrans-50.8-63.9177.1-83.9-10549.200110.8P512 P513 R514 K633 L669 G670 A671P512-E667 VanDerWaalsContact C-CB 3.48Å; P512-E667 HydrophobicContact CB-CB 3.83Å; P512-E667 HydrophobicContact CB-CG 4.19Å; P512-E667 PolarHBondContact O-N 2.93Å; P513-E667 VanDerWaalsContact N-CG 3.34Å; P513-E667 WeakPolarHBondContact O-CG 3.5Å; R514-E667 HydrophobicContact CB-CB 4.48Å; R514-E667 HydrophobicContact CB-CG 4.14Å; R514-E667 HydrophobicContact CG-CB 4.47Å; R514-E667 HydrophobicContact CG-CG 4.11Å; R514-E667 WeakPolarHBondContact CG-OE1 3.45Å; R514-E667 IonicContact CZ-OE1 2.72Å; R514-E667 PolarHBondContact NE-O 2.83Å; R514-E667 IonicContact NE-OE1 3.53Å; R514-E667 PolarHBondContact NE-OE1 3.31Å; R514-E667 VanDerWaalsContact NE-OE1 3.07Å; R514-E667 IonicContact NH2-OE1 3.95Å; K633-E667 IonicContact NZ-OE2 2.66Å; K633-E667 PolarHBondContact NZ-OE2 2.94Å; E667-L669 VanDerWaalsContact C-N 3.32Å; E667-L669 PolarHBondContact O-N 3.16Å; E667-G670 CarbonylContact O-C 3.47Å; E667-G670 VanDerWaalsContact O-CA 3.31Å; E667-G670 WeakPolarHBondContact O-CA 3.2Å; E667-G670 PolarHBondContact O-N 3.25Å; E667-A671 WeakPolarHBondContact O-CB 3.41Å; E667-A671 PolarHBondContact O-N 2.98Å
668A55.3Low53.2Low13 Ų1366.4 Ų66.411%0.10736%0.363CS..Hα-helixtrans-82.5-21.8-158.900000110.4P511 P512 S666 A671 W672P511-A668 HydrophobicContact CB-CB 3.57Å; P511-A668 HydrophobicContact CG-CB 3.68Å; P511-A668 PolarHBondContact O-N 3.43Å; P512-A668 HydrophobicContact CG-CB 3.76Å; S666-A668 PolarHBondContact O-N 3.24Å; A668-A671 PolarHBondContact O-N 3.16Å; A668-W672 WeakPolarHBondContact O-CB 3.47Å; A668-W672 PolarHBondContact O-N 2.89Å
669L52Low52Low110 Ų11067.5 Ų67.558%0.57639%0.389SS*.Hα-helixtrans-61.9-46.1160.7-97.8166.3000111.1P511 Y665 E667 G673P511-L669 HydrophobicContact CG-CG 4.27Å; Y665-L669 HydrophobicContact CD1-CD1 3.85Å; E667-L669 VanDerWaalsContact C-N 3.32Å; E667-L669 PolarHBondContact O-N 3.16Å; L669-G673 PolarHBondContact O-N 3.34Å
670G52.3Low50.5Low27 Ų2770.3 Ų70.328%0.27841%0.413SS..Hα-helixtrans-63.7-38.3173.600000114R514 S666 E667 G673 V674R514-G670 PolarHBondContact NH1-O 2.86Å; S666-G670 PolarHBondContact O-N 2.84Å; E667-G670 CarbonylContact O-C 3.47Å; E667-G670 VanDerWaalsContact O-CA 3.31Å; E667-G670 WeakPolarHBondContact O-CA 3.2Å; E667-G670 PolarHBondContact O-N 3.25Å; G670-G673 PolarHBondContact O-N 3.16Å; G670-V674 PolarHBondContact O-N 3.11Å
671A50.1Low49.1Very low38 Ų3869.5 Ų69.531%0.31442%0.421SS..Hα-helixtrans-73.6-46.5-176.700000111.5E667 A668 G673 V674 A675E667-A671 WeakPolarHBondContact O-CB 3.41Å; E667-A671 PolarHBondContact O-N 2.98Å; A668-A671 PolarHBondContact O-N 3.16Å; A671-G673 PolarHBondContact O-N 2.6Å; A671-V674 PolarHBondContact O-N 3.01Å; A671-A675 PolarHBondContact O-N 2.81Å
672W42Very low47.3Very low205 Ų20576.6 Ų76.678%0.77745%0.452SS*.Hα-helixtrans-64.8-31.8173-74.350.2000111.1A668 V674 A675 Q676A668-W672 WeakPolarHBondContact O-CB 3.47Å; A668-W672 PolarHBondContact O-N 2.89Å; W672-V674 VanDerWaalsContact C-N 3.33Å; W672-V674 PolarHBondContact O-N 3.31Å; W672-A675 PolarHBondContact O-N 3.43Å; W672-Q676 PolarHBondContact O-N 3.2Å
673G42.9Very low45.8Very low42 Ų4282.5 Ų82.543%0.43348%0.483SS..Hα-helixtrans-62.6-32.6172.500000114.3L669 G670 A671L669-G673 PolarHBondContact O-N 3.34Å; G670-G673 PolarHBondContact O-N 3.16Å; A671-G673 PolarHBondContact O-N 2.6Å
674V42.7Very low44.1Very low89 Ų8990.7 Ų90.754%0.53953%0.526SS..Hα-helixtrans-68.5-39.6173.9174.70000110.9G670 A671 W672 Q676 A677G670-V674 PolarHBondContact O-N 3.11Å; A671-V674 PolarHBondContact O-N 3.01Å; W672-V674 VanDerWaalsContact C-N 3.33Å; W672-V674 PolarHBondContact O-N 3.31Å; V674-Q676 VanDerWaalsContact C-N 3.34Å; V674-Q676 PolarHBondContact O-N 2.63Å; V674-A677 PolarHBondContact O-N 2.83Å
675A38.8Very low42.7Very low77 Ų7794.9 Ų94.964%0.63656%0.561SS**Hα-helixtrans-64.7-31-178.300000114A671 W672A671-A675 PolarHBondContact O-N 2.81Å; W672-A675 PolarHBondContact O-N 3.43Å
676Q41.2Very low41.1Very low155 Ų15598.1 Ų98.172%0.72459%0.593SS**Hα-helixtrans-81.3-19.8175.8-72.3-167.4-1100114.2W672 V674 E678 G679 S680W672-Q676 PolarHBondContact O-N 3.2Å; V674-Q676 VanDerWaalsContact C-N 3.34Å; V674-Q676 PolarHBondContact O-N 2.63Å; Q676-E678 VanDerWaalsContact C-N 3.32Å; Q676-E678 PolarHBondContact O-N 3.43Å; Q676-G679 PolarHBondContact O-N 3.18Å; Q676-S680 PolarHBondContact O-OG 3.32Å
677A40.2Very low39.5Very low67 Ų67104 Ų10455%0.55462%0.622SS**Hα-helixtrans-70.7-26.3-176.300000113.3V674 G679V674-A677 PolarHBondContact O-N 2.83Å; A677-G679 VanDerWaalsContact C-N 3.35Å
678E37.3Very low37.8Very low177 Ų177106.2 Ų106.283%0.82764%0.643SS**THydrogen-bonded Turntrans-79.2-17.8175.5-60.3-165.1139.500112.8Q676Q676-E678 VanDerWaalsContact C-N 3.32Å; Q676-E678 PolarHBondContact O-N 3.43Å
679G37.2Very low36.5Very low73 Ų73115.4 Ų115.475%0.75368%0.675SS**SBendtrans-89.4-8.1-175.300000116.7Q676 A677Q676-G679 PolarHBondContact O-N 3.18Å; A677-G679 VanDerWaalsContact C-N 3.35Å
680S34.3Very low35.3Very low98 Ų98116.1 Ų116.169%0.68568%0.675SS**  trans-130.447.7-162.4530000115.5Q676Q676-S680 PolarHBondContact O-OG 3.32Å
681S31.9Very low34.1Very low104 Ų104123.3 Ų123.373%0.72770%0.701SS**  trans-122.234.517356.70000115.3
682H28.7Very low33Very low170 Ų170127.6 Ų127.679%0.78772%0.724SS**SBendtrans-121.4101167-95.1-88.2000113.6
683I27.1Very low33.3Very low145 Ų145122.6 Ų122.674%0.74472%0.717SS**  trans70.2116.4145.2-57.9174.9000118.6A685I683-A685 HydrophobicContact CG2-CB 4.5Å
684L30.2Very low32.6Very low174 Ų174127.6 Ų127.691%0.91173%0.734SS**  trans-75.8132.3153.7-77165.9000110.6
685A27.7Very low31.9Very low89 Ų89127.7 Ų127.774%0.73674%0.739SS**  trans-164.196.315500000112.8I683I683-A685 HydrophobicContact CG2-CB 4.5Å
686S25.9Very low31.4Very low132 Ų132131.8 Ų131.892%0.92375%0.749SS**  trans-173.4124.5140.2-84.10000112.6
687D27.8Very low30.6Very low153 Ų153129.8 Ų129.882%0.81875%0.752SS**  trans-56.1167.7-173.5-146.3-45.3000118.7
688S28.2Very low30Very low93 Ų93131.9 Ų131.965%0.6576%0.763SS**  trans94.5111.5135-88.20000124.4
689R27.4Very low29.4Very low206 Ų206131 Ų13178%0.77776%0.764SS**  trans105.6105.4130.7-68.9-171.7116124.714.4123.3
690E28.5Very low30.3Very low125 Ų125132.6 Ų132.658%0.58476%0.761SS**  53.2112.5120-59.5-179.811100120.9
691H25.7Very low30Very low177 Ų177136.6 Ų136.682%0.81977%0.769SS**  -178.9163.6100-89.7-61.8000113.6
692T26.4Very low30Very low129 Ų129139.2 Ų139.279%0.79177%0.77SS**  trans-141.9-174.6-176.455.40000108.9
693P49.3Very low30Very low99 Ų99138.8 Ų138.864%0.64377%0.768SS**  cis-147.2-16710.444.8-23.4000118.6
694N28.8Very low30.2Very low147 Ų147136 Ų13679%0.78676%0.761SS**  trans78150.5152.7-68.6-9.5000121.7
695S27.7Very low30.1Very low91 Ų91135.4 Ų135.464%0.63675%0.753SS**  cis-175.6140.2-18.854.60000116.9
696L28.7Very low30.1Very low164 Ų164138.9 Ų138.986%0.85976%0.758SS**  trans73.2148.4137.1-75.1166.9000127.6
697S23.6Very low30.2Very low113 Ų113138.3 Ų138.379%0.7975%0.753SS**  trans86.4165.5152.7740000122.4
698S27.4Very low30.8Very low111 Ų111136.4 Ų136.478%0.77675%0.749SS**  179.4116.5-65.7-87.20000114.7
699D24.5Very low30.8Very low157 Ų157139.1 Ų139.184%0.8476%0.756SS**  trans46.5173.6142-81.4-2.9000124
700P56.9Low30.7Very low108 Ų108135.3 Ų135.370%0.70176%0.755SS**  -140.3-144.1-58.243-22.2000114.3
701E28.6Very low30.7Very low182 Ų182134.2 Ų134.285%0.8576%0.761SS**  trans82170.6166.8-48.7-160.9140.500121.3
702E31.6Very low30.9Very low159 Ų159134.6 Ų134.674%0.74376%0.764SS**  -155.9-151.4-83.8-144.5-163.6-150.200112.6
703H28.1Very low31Very low161 Ų161133.9 Ų133.975%0.74576%0.764SS**  trans76.5127.6-177.7-43.2-43000116.4
704S30.6Very low30.1Very low85 Ų85136.3 Ų136.359%0.59477%0.772SS**  cis99.3119.119-57.50000116.2
705H29.5Very low30.3Very low162 Ų162137.7 Ų137.775%0.7578%0.778SS**  165.4127.7111.5-85-60.9000116.6
706L27.8Very low30.4Very low162 Ų162141.3 Ų141.385%0.84879%0.785SS**  trans68.8140.6139.9-60.4168.6000123.1
707C26.9Very low31.7Very low120 Ų120138.1 Ų138.181%0.81177%0.774SS**  trans-113.9176167.5-48.60000110.1
708P40Very low33.1Very low114 Ų114137.4 Ų137.474%0.7477%0.767SS**  -158.1155.590.639.5-19.4000119.8
709L28Very low33.3Very low150 Ų150138.9 Ų138.979%0.78577%0.766SS**  trans59.1121138.8-65.4168.8000125.1
710T26.5Very low33.8Very low125 Ų125143.1 Ų143.177%0.76779%0.787SS**  trans65.8147.1136.958.10000120.2
711S27.8Very low32.7Very low102 Ų102144.9 Ų144.971%0.71379%0.792SS**  cis-149.5173.831.3-63.50000115.5
712E29.2Very low32.9Very low185 Ų185142.9 Ų142.986%0.86479%0.789SS**  trans-10.4149.5159.7-53.4175.29500118.8
713S29.2Very low33Very low114 Ų114142.1 Ų142.180%0.79779%0.791SS**  -170.9179.353.555.80000114.7
714N30.5Very low33.3Very low151 Ų151140.9 Ų140.981%0.80779%0.794SS**  trans-59.2152.6179.7-64.4-81.8000116
715L32.3Very low33.4Very low175 Ų175144.4 Ų144.492%0.91681%0.806SS**  -174.2160.4114.7-99.3166000113.6
716Q31.7Very low33.7Very low167 Ų167143.3 Ų143.378%0.7881%0.81SS**  trans-152.6172.5178.4-146.5-148.8-31.300106.7
717P54.3Low34.1Very low98 Ų98141.9 Ų141.964%0.63681%0.807SS**  -100.9-141.7-54.228.1-4.9000107.6
718P54.1Low34.7Very low97 Ų97143.6 Ų143.663%0.6381%0.807SS**  cis-140.2-171.4-7.246.8-28000117
719D31.9Very low34.2Very low142 Ų142146.1 Ų146.176%0.75981%0.813SS**  trans55102.4153.1-53.1-25.9000120.2
720L35.2Very low34.8Very low247 Ų247145.7 Ų145.7100%1.29382%0.815SS**  -164090.7-99.5165.2000112.4

Retrieved 720 of 720 residues in 221.1 ms (Link to these results)

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