A0A3Q0KD23_SCHMA Loading...

DNA polymerase theta, putative

AlphaFold DB , UniProt , Accession A0A3Q0KD23, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 849 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
1M92.6Very high92Very high60 Ų6064.7 Ų64.730%0.29631%0.314SS..  0-73.40-169.1178.379.900112.3K3 E4 L5 V12 L29 V61 L87 I89M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 2.97Å; M1-K3 VanDerWaalsContact O-N 3.1Å; M1-E4 WeakPolarHBondContact O-CB 3.32Å; M1-E4 PolarHBondContact O-N 2.99Å; M1-L5 HydrophobicContact CG-CD1 3.98Å; M1-L5 PolarHBondContact O-N 3.26Å; M1-V12 HydrophobicContact CG-CB 4.39Å; M1-V12 HydrophobicContact CG-CG1 4.15Å; M1-V12 HydrophobicContact CG-CG2 4.13Å; M1-L29 HydrophobicContact CE-CD1 3.84Å; M1-L29 HydrophobicContact CE-CD2 3.98Å; M1-L29 HydrophobicContact SD-CD2 4.28Å; M1-V61 HydrophobicContact SD-CG1 4.16Å; M1-V61 HydrophobicContact SD-CG2 4.15Å; M1-L87 HydrophobicContact CB-CD2 4.39Å; M1-I89 HydrophobicContact CB-CD1 4.38Å
2L93Very high92.4Very high67 Ų6759.3 Ų59.335%0.35129%0.287SS..Hα-helixtrans-54.3-36.2-174-64.9177.6000114.7E4 L5 L6 M32 L36 F38L2-E4 VanDerWaalsContact C-N 3.28Å; L2-E4 PolarHBondContact O-N 3.13Å; L2-L5 HydrophobicContact CD2-CD1 4.49Å; L2-L5 PolarHBondContact O-N 3.17Å; L2-L6 HydrophobicContact CB-CD1 4.33Å; L2-L6 WeakPolarHBondContact O-CB 3.19Å; L2-L6 WeakPolarHBondContact O-CG 3.36Å; L2-L6 PolarHBondContact O-N 3.03Å; L2-M32 HydrophobicContact CD2-SD 4.12Å; L2-L36 HydrophobicContact CD2-CD1 4.24Å; L2-F38 HydrophobicContact CD2-CE1 3.96Å; L2-F38 HydrophobicContact CD2-CZ 4.26Å
3K93.4Very high92.8Very high106 Ų10654.8 Ų54.846%0.46127%0.265SS..Hα-helixtrans-57.8-38173.9-165.8-176.9-175.2-170.80112.9M1 I7 Y8M1-K3 VanDerWaalsContact C-N 3.26Å; M1-K3 PolarHBondContact O-N 2.97Å; M1-K3 VanDerWaalsContact O-N 3.1Å; K3-I7 HydrophobicContact CG-CB 4.44Å; K3-I7 HydrophobicContact CG-CD1 3.91Å; K3-I7 VanDerWaalsContact O-CB 3.31Å; K3-I7 WeakPolarHBondContact O-CB 3.37Å; K3-I7 PolarHBondContact O-N 3.07Å; K3-Y8 HydrophobicContact CD-CE2 3.72Å; K3-Y8 VanDerWaalsContact CE-OH 3.23Å; K3-Y8 WeakPolarHBondContact CE-OH 3.41Å; K3-Y8 HydrophobicContact CG-CD2 4.11Å; K3-Y8 HydrophobicContact CG-CE2 3.7Å; K3-Y8 PolarHBondContact NZ-OH 2.9Å; K3-Y8 VanDerWaalsContact NZ-OH 3.12Å; K3-Y8 WeakPolarHBondContact O-CD2 3.49Å; K3-Y8 PolarHBondContact O-N 3.25Å; K3-Y8 VanDerWaalsContact O-N 3.09Å
4E93.4Very high93.2Very high9 Ų952.9 Ų52.94%0.04226%0.256CS..Hα-helixtrans-69.5-44.1177.1-71.6-64.8154.800111.8M1 L2 Y8 N9 K10 V12 G86 L87 R121M1-E4 WeakPolarHBondContact O-CB 3.32Å; M1-E4 PolarHBondContact O-N 2.99Å; L2-E4 VanDerWaalsContact C-N 3.28Å; L2-E4 PolarHBondContact O-N 3.13Å; E4-Y8 CarbonylContact O-C 3.35Å; E4-Y8 PolarHBondContact O-N 3.28Å; E4-N9 PolarHBondContact O-N 3.3Å; E4-K10 CarbonylContact C-O 3.37Å; E4-K10 PolarHBondContact O-N 3.05Å; E4-V12 HydrophobicContact CB-CG2 3.88Å; E4-G86 WeakPolarHBondContact OE2-CA 3.48Å; E4-L87 HydrophobicContact CG-CB 3.78Å; E4-L87 HydrophobicContact CG-CD2 4.45Å; E4-R121 IonicContact OE1-CZ 2.72Å; E4-R121 IonicContact OE1-NE 3.57Å; E4-R121 PolarHBondContact OE1-NE 2.95Å; E4-R121 IonicContact OE1-NH2 3.87Å; E4-R121 PolarHBondContact OE1-NH2 3.17Å
5L92Very high93.5Very high5 Ų549.5 Ų49.53%0.02624%0.239CC..Hα-helixtrans-69.8-46.9-177-63.5163.7000112.2M1 L2 V12 F38 V61M1-L5 HydrophobicContact CG-CD1 3.98Å; M1-L5 PolarHBondContact O-N 3.26Å; L2-L5 HydrophobicContact CD2-CD1 4.49Å; L2-L5 PolarHBondContact O-N 3.17Å; L5-V12 HydrophobicContact CD2-CG2 4.09Å; L5-V12 HydrophobicContact CG-CG2 4.05Å; L5-F38 HydrophobicContact CD1-CD1 4.25Å; L5-F38 HydrophobicContact CD1-CD2 4.09Å; L5-F38 HydrophobicContact CD1-CE1 4.39Å; L5-F38 HydrophobicContact CD1-CE2 4.27Å; L5-F38 HydrophobicContact CD1-CG 4.09Å; L5-F38 HydrophobicContact CD1-CZ 4.42Å; L5-V61 HydrophobicContact CD1-CG2 3.48Å; L5-V61 VanDerWaalsContact CD1-CG2 3.48Å; L5-V61 HydrophobicContact CD2-CG2 3.98Å; L5-V61 HydrophobicContact CG-CG2 4.32Å
6L90Very high93.7Very high80 Ų8046.4 Ų46.442%0.41922%0.224SC..Hα-helixtrans-96.4-23.1-166.8-56.7179.1000114.1L2 L36 F38L2-L6 HydrophobicContact CB-CD1 4.33Å; L2-L6 WeakPolarHBondContact O-CB 3.19Å; L2-L6 WeakPolarHBondContact O-CG 3.36Å; L2-L6 PolarHBondContact O-N 3.03Å; L6-L36 HydrophobicContact CD1-CD1 4.38Å; L6-L36 HydrophobicContact CD2-CB 4.42Å; L6-F38 HydrophobicContact CD2-CD1 4.4Å
7I90.5Very high93.5Very high116 Ų11643.8 Ų43.860%0.59521%0.211SC*.THydrogen-bonded Turntrans-113.1-51.9-176.5-63.7163.8000110.3K3 N9K3-I7 HydrophobicContact CG-CB 4.44Å; K3-I7 HydrophobicContact CG-CD1 3.91Å; K3-I7 VanDerWaalsContact O-CB 3.31Å; K3-I7 WeakPolarHBondContact O-CB 3.37Å; K3-I7 PolarHBondContact O-N 3.07Å; I7-N9 VanDerWaalsContact C-N 3.31Å
8Y90.4Very high93.2Very high112 Ų11245.2 Ų45.244%0.43922%0.217SC..SBendtrans-84.4-7.6-178.6-62.2-58.7000113.9K3 E4 K10K3-Y8 HydrophobicContact CD-CE2 3.72Å; K3-Y8 VanDerWaalsContact CE-OH 3.23Å; K3-Y8 WeakPolarHBondContact CE-OH 3.41Å; K3-Y8 HydrophobicContact CG-CD2 4.11Å; K3-Y8 HydrophobicContact CG-CE2 3.7Å; K3-Y8 PolarHBondContact NZ-OH 2.9Å; K3-Y8 VanDerWaalsContact NZ-OH 3.12Å; K3-Y8 WeakPolarHBondContact O-CD2 3.49Å; K3-Y8 PolarHBondContact O-N 3.25Å; K3-Y8 VanDerWaalsContact O-N 3.09Å; E4-Y8 CarbonylContact O-C 3.35Å; E4-Y8 PolarHBondContact O-N 3.28Å; Y8-K10 VanDerWaalsContact C-N 3.31Å; Y8-K10 PolarHBondContact O-N 3.22Å
9N89.7Confident92.7Very high86 Ų8645.8 Ų45.846%0.4622%0.223SC..  trans55.650.5175.9-80-8.9000110.8E4 I7 Y59E4-N9 PolarHBondContact O-N 3.3Å; I7-N9 VanDerWaalsContact C-N 3.31Å; N9-Y59 VanDerWaalsContact C-CD1 3.48Å; N9-Y59 HydrophobicContact CB-CD2 4.2Å; N9-Y59 HydrophobicContact CB-CE1 4.22Å; N9-Y59 HydrophobicContact CB-CE2 3.35Å; N9-Y59 WeakPolarHBondContact CB-OH 3.38Å; N9-Y59 VanDerWaalsContact CG-CE2 3.45Å; N9-Y59 WeakPolarHBondContact O-CD1 3.42Å; N9-Y59 WeakPolarHBondContact O-CE1 3.15Å; N9-Y59 PolarHBondContact O-OH 3.06Å; N9-Y59 WeakPolarHBondContact OD1-CE2 3.27Å
10K92.3Very high92.2Very high51 Ų5144.4 Ų44.422%0.22222%0.218CC..  trans-132.3146.5179-67.6-163.4177-153.70111.6E4 Y8 D83 G86E4-K10 CarbonylContact C-O 3.37Å; E4-K10 PolarHBondContact O-N 3.05Å; Y8-K10 VanDerWaalsContact C-N 3.31Å; Y8-K10 PolarHBondContact O-N 3.22Å; K10-D83 PolarHBondContact NZ-O 2.71Å; K10-G86 VanDerWaalsContact CD-CA 3.41Å
11S95Very high91.9Very high20 Ų2043.4 Ų43.414%0.1421%0.214CC..EExtended strand (participates in β ladder)trans-73.6157.7175.7-67.70000111.5S60 S84 G86S11-S60 WeakPolarHBondContact CA-O 3.39Å; S11-S60 WeakPolarHBondContact CB-O 3.42Å; S11-S60 PolarHBondContact OG-N 3.22Å; S11-S84 PolarHBondContact N-O 3.2Å; S11-G86 PolarHBondContact O-N 3.12Å
12V96.7Very high91.9Very high0 Ų040.5 Ų40.50%020%0.2CC..EExtended strand (participates in β ladder)trans-122.5130.6179.7179.90000109.3M1 E4 L5 S60 V61 L62 L87 I89M1-V12 HydrophobicContact CG-CB 4.39Å; M1-V12 HydrophobicContact CG-CG1 4.15Å; M1-V12 HydrophobicContact CG-CG2 4.13Å; E4-V12 HydrophobicContact CB-CG2 3.88Å; L5-V12 HydrophobicContact CD2-CG2 4.09Å; L5-V12 HydrophobicContact CG-CG2 4.05Å; V12-S60 PolarHBondContact N-O 3.48Å; V12-V61 CarbonylContact O-C 3.57Å; V12-V61 WeakPolarHBondContact O-CA 3.47Å; V12-L62 PolarHBondContact O-N 2.96Å; V12-L87 CarbonylContact C-O 3.51Å; V12-L87 WeakPolarHBondContact CA-O 3.32Å; V12-L87 HydrophobicContact CG1-CB 4.17Å; V12-L87 HydrophobicContact CG1-CD2 4.06Å; V12-L87 HydrophobicContact CG1-CG 4.08Å; V12-L87 HydrophobicContact CG2-CB 4.2Å; V12-L87 HydrophobicContact CG2-CD2 4.49Å; V12-I89 HydrophobicContact CG1-CD1 4.31Å; V12-I89 HydrophobicContact CG1-CG1 4.45Å
13L97.8Very high91.6Very high0 Ų038 Ų380%019%0.186CC..EExtended strand (participates in β ladder)trans-96.3125.9168.2179.862000109.1I15 L62 A64 I72 V73 L85 L87 V88 I89L13-I15 HydrophobicContact CD1-CG1 4.46Å; L13-I15 HydrophobicContact CD2-CD1 4.01Å; L13-I15 HydrophobicContact CD2-CG1 4.05Å; L13-I15 HydrophobicContact CG-CD1 4.4Å; L13-I15 HydrophobicContact CG-CG1 3.89Å; L13-L62 HydrophobicContact CD1-CB 3.85Å; L13-A64 HydrophobicContact CD1-CB 3.82Å; L13-I72 HydrophobicContact CD1-CD1 3.83Å; L13-I72 HydrophobicContact CD1-CG2 4.48Å; L13-V73 HydrophobicContact CD2-CG2 3.95Å; L13-L85 HydrophobicContact CB-CD1 3.96Å; L13-L85 HydrophobicContact CB-CD2 3.75Å; L13-L85 HydrophobicContact CB-CG 4.33Å; L13-L87 PolarHBondContact N-O 2.98Å; L13-V88 HydrophobicContact CB-CG2 4.24Å; L13-V88 HydrophobicContact CD2-CG1 4.41Å; L13-V88 HydrophobicContact CD2-CG2 4.45Å; L13-V88 CarbonylContact O-C 3.48Å; L13-V88 VanDerWaalsContact O-CA 3.31Å; L13-V88 WeakPolarHBondContact O-CA 3.45Å; L13-I89 PolarHBondContact O-N 3.47Å
14F98Very high91.1Very high29 Ų2935.9 Ų35.913%0.12718%0.178CC..EExtended strand (participates in β ladder)trans-115.8107.5174.4-156.7-42.1000108.5L16 L62 M63 A64 I89 D91 M125F14-L16 HydrophobicContact CD1-CD1 4.37Å; F14-L16 HydrophobicContact CD1-CD2 3.87Å; F14-L16 HydrophobicContact CD1-CG 3.78Å; F14-L16 HydrophobicContact CE1-CD2 3.51Å; F14-L16 HydrophobicContact CE1-CG 3.98Å; F14-L16 HydrophobicContact CZ-CD2 4.41Å; F14-L62 PolarHBondContact N-O 3.42Å; F14-M63 HydrophobicContact CB-CE 4.47Å; F14-M63 HydrophobicContact CB-SD 3.61Å; F14-M63 HydrophobicContact CD2-CE 4.13Å; F14-M63 HydrophobicContact CD2-SD 4.11Å; F14-M63 HydrophobicContact CG-SD 3.9Å; F14-A64 PolarHBondContact O-N 3.41Å; F14-I89 HydrophobicContact CD1-CB 4.11Å; F14-I89 HydrophobicContact CD1-CG2 4.08Å; F14-I89 HydrophobicContact CD2-CB 4.2Å; F14-I89 HydrophobicContact CD2-CD1 3.83Å; F14-I89 HydrophobicContact CD2-CG2 4.38Å; F14-I89 HydrophobicContact CE1-CB 4.28Å; F14-I89 HydrophobicContact CE1-CG2 3.73Å; F14-I89 HydrophobicContact CE2-CB 4.37Å; F14-I89 HydrophobicContact CE2-CD1 3.89Å; F14-I89 HydrophobicContact CE2-CG2 4.06Å; F14-I89 HydrophobicContact CG-CB 4.07Å; F14-I89 HydrophobicContact CG-CG2 4.39Å; F14-I89 HydrophobicContact CZ-CB 4.41Å; F14-I89 HydrophobicContact CZ-CG2 3.73Å; F14-D91 HydrophobicContact CE1-CB 4.22Å; F14-M125 HydrophobicContact CE1-CE 4.17Å; F14-M125 HydrophobicContact CZ-CE 3.92Å
15I98.1Very high91Very high1 Ų138.7 Ų38.71%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-90.9122.4179.3-55-178.2000109L13 A64 I66 V88 I89 V90 D91 L106 I109L13-I15 HydrophobicContact CD1-CG1 4.46Å; L13-I15 HydrophobicContact CD2-CD1 4.01Å; L13-I15 HydrophobicContact CD2-CG1 4.05Å; L13-I15 HydrophobicContact CG-CD1 4.4Å; L13-I15 HydrophobicContact CG-CG1 3.89Å; I15-A64 WeakPolarHBondContact CA-O 3.22Å; I15-I66 HydrophobicContact CG2-CB 4.42Å; I15-I66 HydrophobicContact CG2-CG1 3.94Å; I15-V88 HydrophobicContact CD1-CG1 4.1Å; I15-V88 HydrophobicContact CG1-CG1 4.46Å; I15-I89 PolarHBondContact N-O 3Å; I15-V90 HydrophobicContact CB-CG2 4.37Å; I15-V90 HydrophobicContact CD1-CG2 4.23Å; I15-D91 PolarHBondContact O-N 2.85Å; I15-L106 HydrophobicContact CG2-CD2 3.95Å; I15-I109 HydrophobicContact CD1-CD1 3.89Å; I15-I109 HydrophobicContact CD1-CG2 3.93Å
16L95.7Very high91Very high0 Ų038.8 Ų38.80%019%0.191CC..EExtended strand (participates in β ladder)trans-122.4152.4-179.7-68.5163.9000109.9F14 I21 V22 K25 M63 A64 T65 I66 D91F14-L16 HydrophobicContact CD1-CD1 4.37Å; F14-L16 HydrophobicContact CD1-CD2 3.87Å; F14-L16 HydrophobicContact CD1-CG 3.78Å; F14-L16 HydrophobicContact CE1-CD2 3.51Å; F14-L16 HydrophobicContact CE1-CG 3.98Å; F14-L16 HydrophobicContact CZ-CD2 4.41Å; L16-I21 HydrophobicContact CB-CG2 3.88Å; L16-I21 HydrophobicContact CD2-CD1 4.14Å; L16-I21 HydrophobicContact CD2-CG1 4.17Å; L16-I21 HydrophobicContact CD2-CG2 4.46Å; L16-V22 HydrophobicContact CB-CG2 3.75Å; L16-V22 HydrophobicContact CD1-CB 4.34Å; L16-V22 HydrophobicContact CD1-CG2 3.91Å; L16-V22 HydrophobicContact CG-CG2 4.44Å; L16-K25 HydrophobicContact CD1-CB 4.1Å; L16-K25 HydrophobicContact CD1-CG 3.91Å; L16-M63 HydrophobicContact CD1-SD 4.28Å; L16-A64 PolarHBondContact N-O 2.88Å; L16-T65 WeakPolarHBondContact O-CA 3.48Å; L16-I66 PolarHBondContact O-N 3.04Å; L16-D91 HydrophobicContact CD2-CB 3.78Å
17P91Very high90.9Very high2 Ų238 Ų381%0.01318%0.182CC..SBendtrans-69.1-44.2-175.327.5-37.3000112.4I21 E92 M95 R102P17-I21 HydrophobicContact CG-CG2 4.18Å; P17-E92 HydrophobicContact CG-CB 4.47Å; P17-E92 HydrophobicContact CG-CG 3.98Å; P17-M95 HydrophobicContact CB-SD 3.54Å; P17-M95 VanDerWaalsContact CB-SD 3.54Å; P17-R102 VanDerWaalsContact C-NH2 3.3Å; P17-R102 VanDerWaalsContact O-CZ 3.22Å; P17-R102 PolarHBondContact O-NH1 3.2Å; P17-R102 PolarHBondContact O-NH2 3.14Å
18F87.4Confident90.8Very high70 Ų7036.5 Ų36.531%0.30718%0.182SC..  trans-122.8152.3-169.6-55.9-76000113.1S20 I21 V22 A360F18-S20 PolarHBondContact O-N 2.9Å; F18-I21 HydrophobicContact CB-CG2 4.18Å; F18-I21 WeakPolarHBondContact O-CG2 3.36Å; F18-I21 PolarHBondContact O-N 3.43Å; F18-V22 WeakPolarHBondContact O-CG2 3.43Å; F18-V22 PolarHBondContact O-N 2.7Å; F18-V22 VanDerWaalsContact O-N 3.08Å; F18-A360 HydrophobicContact CD2-CB 4.45Å; F18-A360 WeakPolarHBondContact CD2-O 3.35Å; F18-A360 HydrophobicContact CE2-CB 3.52Å; F18-A360 WeakPolarHBondContact CE2-O 3.3Å; F18-A360 HydrophobicContact CZ-CB 3.83Å
19V85.3Confident90.9Very high56 Ų5632.1 Ų32.134%0.33917%0.166SC..Hα-helixtrans-56-37.5175.11780000111.6V22 Q23 A44 T65V19-V22 PolarHBondContact O-N 3.24Å; V19-Q23 HydrophobicContact CG1-CG 4.47Å; V19-Q23 WeakPolarHBondContact O-CG 3.1Å; V19-Q23 PolarHBondContact O-N 3.39Å; V19-A44 HydrophobicContact CB-CB 4.39Å; V19-A44 HydrophobicContact CG1-CB 3.98Å; V19-A44 HydrophobicContact CG2-CB 4.19Å; V19-T65 HydrophobicContact CG2-CG2 3.86Å
20S81.1Confident91Very high18 Ų1828.2 Ų28.213%0.12615%0.145CC..Hα-helixtrans-61.5-47.2-18052.60000112.3F18 Q23 E24 G361F18-S20 PolarHBondContact O-N 2.9Å; S20-Q23 PolarHBondContact O-N 3.25Å; S20-E24 WeakPolarHBondContact O-CB 3.48Å; S20-E24 PolarHBondContact O-N 2.92Å; S20-G361 PolarHBondContact OG-O 2.87Å
21I86.8Confident90.9Very high23 Ų2328.1 Ų28.112%0.11815%0.15CC..Hα-helixtrans-72.1-33.3179.5-171.5168.3000111.3L16 P17 F18 Q23 E24 K25L16-I21 HydrophobicContact CB-CG2 3.88Å; L16-I21 HydrophobicContact CD2-CD1 4.14Å; L16-I21 HydrophobicContact CD2-CG1 4.17Å; L16-I21 HydrophobicContact CD2-CG2 4.46Å; P17-I21 HydrophobicContact CG-CG2 4.18Å; F18-I21 HydrophobicContact CB-CG2 4.18Å; F18-I21 WeakPolarHBondContact O-CG2 3.36Å; F18-I21 PolarHBondContact O-N 3.43Å; I21-Q23 VanDerWaalsContact C-N 3.34Å; I21-Q23 PolarHBondContact O-N 2.91Å; I21-E24 PolarHBondContact O-N 3.5Å; I21-K25 HydrophobicContact CG1-CG 4.26Å; I21-K25 WeakPolarHBondContact O-CB 3.45Å; I21-K25 WeakPolarHBondContact O-CG 3.37Å; I21-K25 PolarHBondContact O-N 3.38Å
22V91.5Very high90.8Very high0 Ų030.9 Ų30.90%016%0.162CC..Hα-helixtrans-56-51.5169.5171.70000110L16 F18 V19 E24 K25 V26 E42 A44 M63 T65L16-V22 HydrophobicContact CB-CG2 3.75Å; L16-V22 HydrophobicContact CD1-CB 4.34Å; L16-V22 HydrophobicContact CD1-CG2 3.91Å; L16-V22 HydrophobicContact CG-CG2 4.44Å; F18-V22 WeakPolarHBondContact O-CG2 3.43Å; F18-V22 PolarHBondContact O-N 2.7Å; F18-V22 VanDerWaalsContact O-N 3.08Å; V19-V22 PolarHBondContact O-N 3.24Å; V22-E24 PolarHBondContact O-N 3.41Å; V22-K25 PolarHBondContact O-N 2.83Å; V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 WeakPolarHBondContact O-CB 3.3Å; V22-V26 VanDerWaalsContact O-CG2 3.23Å; V22-V26 WeakPolarHBondContact O-CG2 3.31Å; V22-V26 PolarHBondContact O-N 2.78Å; V22-E42 HydrophobicContact CG1-CG 4.01Å; V22-A44 HydrophobicContact CB-CB 4.29Å; V22-A44 HydrophobicContact CG1-CB 3.94Å; V22-M63 HydrophobicContact CG1-CB 4.02Å; V22-M63 WeakPolarHBondContact CG1-O 3.49Å; V22-T65 HydrophobicContact CG2-CG2 4Å
23Q86.8Confident90.5Very high15 Ų1530.9 Ų30.97%0.0716%0.162CC..Hα-helixtrans-64.2-39.5-179.9-73.2176.5-5.500112.7V19 S20 I21 R27 E42V19-Q23 HydrophobicContact CG1-CG 4.47Å; V19-Q23 WeakPolarHBondContact O-CG 3.1Å; V19-Q23 PolarHBondContact O-N 3.39Å; S20-Q23 PolarHBondContact O-N 3.25Å; I21-Q23 VanDerWaalsContact C-N 3.34Å; I21-Q23 PolarHBondContact O-N 2.91Å; Q23-R27 WeakPolarHBondContact O-CG 3.37Å; Q23-R27 PolarHBondContact O-N 3Å; Q23-E42 WeakPolarHBondContact CG-OE1 3.41Å; Q23-E42 PolarHBondContact NE2-OE1 3.02Å
24E84.6Confident90Very high60 Ų6032.5 Ų32.528%0.2817%0.17SC..Hα-helixtrans-58.8-49.6173.9-172.2-162.5120.100111.1S20 I21 V22 R27 S28S20-E24 WeakPolarHBondContact O-CB 3.48Å; S20-E24 PolarHBondContact O-N 2.92Å; I21-E24 PolarHBondContact O-N 3.5Å; V22-E24 PolarHBondContact O-N 3.41Å; E24-R27 PolarHBondContact O-N 3.09Å; E24-S28 WeakPolarHBondContact O-CB 3.48Å; E24-S28 PolarHBondContact O-N 3.34Å
25K90.9Very high89.6Confident69 Ų6937.9 Ų37.930%0.320%0.195SC..Hα-helixtrans-69.5-36.1-178.9-65.6-49.2-179.6-155.50112.9L16 I21 V22 S28 L29 M63L16-K25 HydrophobicContact CD1-CB 4.1Å; L16-K25 HydrophobicContact CD1-CG 3.91Å; I21-K25 HydrophobicContact CG1-CG 4.26Å; I21-K25 WeakPolarHBondContact O-CB 3.45Å; I21-K25 WeakPolarHBondContact O-CG 3.37Å; I21-K25 PolarHBondContact O-N 3.38Å; V22-K25 PolarHBondContact O-N 2.83Å; K25-S28 PolarHBondContact O-N 2.82Å; K25-L29 VanDerWaalsContact O-CB 3.26Å; K25-L29 WeakPolarHBondContact O-CB 3.49Å; K25-L29 PolarHBondContact O-N 3.09Å; K25-M63 HydrophobicContact CB-CE 4.12Å; K25-M63 HydrophobicContact CB-SD 4.1Å
26V91.8Very high89.2Confident7 Ų741.4 Ų41.44%0.04221%0.214CC..Hα-helixtrans-57.5-54.7171.2168.90000109.6V22 S28 L29 T30 V40 E42 M63V22-V26 HydrophobicContact CG1-CG2 4.31Å; V22-V26 WeakPolarHBondContact O-CB 3.3Å; V22-V26 VanDerWaalsContact O-CG2 3.23Å; V22-V26 WeakPolarHBondContact O-CG2 3.31Å; V22-V26 PolarHBondContact O-N 2.78Å; V26-S28 VanDerWaalsContact C-N 3.28Å; V26-S28 PolarHBondContact O-N 3.43Å; V26-L29 PolarHBondContact O-N 2.96Å; V26-T30 WeakPolarHBondContact O-CB 3.38Å; V26-T30 PolarHBondContact O-N 3.49Å; V26-T30 PolarHBondContact O-OG1 3.36Å; V26-V40 HydrophobicContact CB-CG1 4.33Å; V26-V40 HydrophobicContact CG1-CG1 4.2Å; V26-V40 HydrophobicContact CG2-CG1 4.21Å; V26-E42 HydrophobicContact CG2-CB 4.09Å; V26-E42 HydrophobicContact CG2-CG 4.44Å; V26-M63 HydrophobicContact CG2-CB 3.6Å; V26-M63 HydrophobicContact CG2-CG 3.8Å
27R87Confident88.8Confident63 Ų6343.3 Ų43.324%0.23823%0.234CC..Hα-helixtrans-58.7-39.6179.1-69.4180-159.6162.711112.7Q23 E24 P31Q23-R27 WeakPolarHBondContact O-CG 3.37Å; Q23-R27 PolarHBondContact O-N 3Å; E24-R27 PolarHBondContact O-N 3.09Å; R27-P31 VanDerWaalsContact O-CD 3.28Å; R27-P31 WeakPolarHBondContact O-CD 3.03Å
28S88.6Confident88.8Confident85 Ų8543.4 Ų43.459%0.59423%0.234SC*.Hα-helixtrans-71-32.2-179.7-175.40000113.5E24 K25 V26E24-S28 WeakPolarHBondContact O-CB 3.48Å; E24-S28 PolarHBondContact O-N 3.34Å; K25-S28 PolarHBondContact O-N 2.82Å; V26-S28 VanDerWaalsContact C-N 3.28Å; V26-S28 PolarHBondContact O-N 3.43Å
29L92.6Very high88.9Confident19 Ų1941.2 Ų41.210%0.09922%0.223CC..Hα-helixtrans-94.7-26.9-174-169.965.4000112.9M1 K25 V26 P31 M32 G33 F38 V40 V61 M63M1-L29 HydrophobicContact CE-CD1 3.84Å; M1-L29 HydrophobicContact CE-CD2 3.98Å; M1-L29 HydrophobicContact SD-CD2 4.28Å; K25-L29 VanDerWaalsContact O-CB 3.26Å; K25-L29 WeakPolarHBondContact O-CB 3.49Å; K25-L29 PolarHBondContact O-N 3.09Å; V26-L29 PolarHBondContact O-N 2.96Å; L29-P31 VanDerWaalsContact C-CD 3.4Å; L29-M32 HydrophobicContact CD1-CB 4.28Å; L29-M32 HydrophobicContact CD1-CG 4.49Å; L29-M32 HydrophobicContact CD1-SD 3.79Å; L29-M32 WeakPolarHBondContact O-CB 3.15Å; L29-M32 PolarHBondContact O-N 2.95Å; L29-G33 PolarHBondContact O-N 2.96Å; L29-F38 HydrophobicContact CD1-CE2 4.46Å; L29-F38 HydrophobicContact CD1-CZ 4.26Å; L29-F38 HydrophobicContact CD2-CE2 4.22Å; L29-F38 HydrophobicContact CG-CE2 4.14Å; L29-F38 HydrophobicContact CG-CZ 4.41Å; L29-V40 HydrophobicContact CB-CG1 4.36Å; L29-V40 HydrophobicContact CB-CG2 4.22Å; L29-V40 HydrophobicContact CD2-CG1 4.44Å; L29-V40 HydrophobicContact CD2-CG2 3.99Å; L29-V40 HydrophobicContact CG-CG2 3.88Å; L29-V61 HydrophobicContact CD2-CB 4.08Å; L29-V61 HydrophobicContact CD2-CG1 3.95Å; L29-V61 HydrophobicContact CD2-CG2 4.08Å; L29-M63 HydrophobicContact CB-CE 4.35Å; L29-M63 HydrophobicContact CD2-CE 3.38Å; L29-M63 HydrophobicContact CG-CE 4.49Å
30T92.3Very high89.2Confident5 Ų538.8 Ų38.83%0.03121%0.209CC..Hα-helixtrans-48.6-45.7177.8-67.90000114.3V26 M32 G33 L34 Q777 M781V26-T30 WeakPolarHBondContact O-CB 3.38Å; V26-T30 PolarHBondContact O-N 3.49Å; V26-T30 PolarHBondContact O-OG1 3.36Å; T30-M32 VanDerWaalsContact C-N 3.3Å; T30-M32 PolarHBondContact O-N 3.22Å; T30-G33 PolarHBondContact O-N 3.08Å; T30-G33 VanDerWaalsContact O-N 3.17Å; T30-L34 HydrophobicContact CG2-CD1 4.21Å; T30-L34 HydrophobicContact CG2-CG 4.38Å; T30-L34 WeakPolarHBondContact O-CG 3.33Å; T30-L34 PolarHBondContact O-N 2.99Å; T30-Q777 HydrophobicContact CG2-CB 4.18Å; T30-M781 HydrophobicContact CG2-CB 3.88Å; T30-M781 HydrophobicContact CG2-CE 3.9Å; T30-M781 HydrophobicContact CG2-CG 4.24Å
31P90.9Very high89.7Confident48 Ų4838.3 Ų38.331%0.31221%0.205SC..Hα-helixtrans-57.7-43.6178.1-1724000112.5R27 L29 L34 E35R27-P31 VanDerWaalsContact O-CD 3.28Å; R27-P31 WeakPolarHBondContact O-CD 3.03Å; L29-P31 VanDerWaalsContact C-CD 3.4Å; P31-L34 PolarHBondContact O-N 3.19Å; P31-E35 PolarHBondContact O-N 2.75Å; P31-E35 VanDerWaalsContact O-N 3.13Å
32M91.7Very high90Very high79 Ų7938.2 Ų38.239%0.38920%0.204SC..Hα-helixtrans-68-38.5178-180-175-68.300111.6L2 L29 T30 E35 L36 F38L2-M32 HydrophobicContact CD2-SD 4.12Å; L29-M32 HydrophobicContact CD1-CB 4.28Å; L29-M32 HydrophobicContact CD1-CG 4.49Å; L29-M32 HydrophobicContact CD1-SD 3.79Å; L29-M32 WeakPolarHBondContact O-CB 3.15Å; L29-M32 PolarHBondContact O-N 2.95Å; T30-M32 VanDerWaalsContact C-N 3.3Å; T30-M32 PolarHBondContact O-N 3.22Å; M32-E35 PolarHBondContact O-N 3.09Å; M32-L36 HydrophobicContact CG-CD1 3.7Å; M32-L36 HydrophobicContact CG-CG 4.38Å; M32-L36 WeakPolarHBondContact O-CB 3.28Å; M32-L36 PolarHBondContact O-N 3.14Å; M32-L36 HydrophobicContact SD-CD1 4.38Å; M32-F38 HydrophobicContact CB-CZ 4.5Å; M32-F38 HydrophobicContact CG-CE1 4.26Å; M32-F38 HydrophobicContact CG-CZ 4Å; M32-F38 HydrophobicContact SD-CZ 4.34Å
33G90.5Very high90.1Very high0 Ų038.3 Ų38.30%020%0.204CC..Hα-helixtrans-61.9-44.9175.700000112.6L29 T30 E35 L36 G37 F38L29-G33 PolarHBondContact O-N 2.96Å; T30-G33 PolarHBondContact O-N 3.08Å; T30-G33 VanDerWaalsContact O-N 3.17Å; G33-E35 VanDerWaalsContact C-N 3.32Å; G33-E35 PolarHBondContact O-N 3.02Å; G33-L36 PolarHBondContact O-N 3.35Å; G33-G37 WeakPolarHBondContact O-CA 3.46Å; G33-G37 PolarHBondContact O-N 3.42Å; G33-F38 CarbonylContact C-O 3.52Å; G33-F38 VanDerWaalsContact C-O 3.24Å; G33-F38 VanDerWaalsContact CA-CE2 3.45Å; G33-F38 WeakPolarHBondContact CA-O 3.32Å; G33-F38 PolarHBondContact O-N 2.81Å; G33-F38 VanDerWaalsContact O-O 3.1Å
34L88.3Confident90.1Very high33 Ų3337.7 Ų37.717%0.17320%0.202CC..Hα-helixtrans-62.2-38.3175.1-68.4176.1000112.4T30 P31 Q777 Q780 M781 P821T30-L34 HydrophobicContact CG2-CD1 4.21Å; T30-L34 HydrophobicContact CG2-CG 4.38Å; T30-L34 WeakPolarHBondContact O-CG 3.33Å; T30-L34 PolarHBondContact O-N 2.99Å; P31-L34 PolarHBondContact O-N 3.19Å; L34-Q777 HydrophobicContact CD1-CB 3.9Å; L34-Q777 HydrophobicContact CD1-CG 4.13Å; L34-Q780 HydrophobicContact CD1-CB 4.42Å; L34-M781 HydrophobicContact CD2-CB 4.28Å; L34-M781 HydrophobicContact CD2-CE 3.82Å; L34-M781 HydrophobicContact CD2-SD 4.43Å; L34-M781 HydrophobicContact CG-CE 3.88Å; L34-P821 WeakPolarHBondContact O-CG 3.45Å
35E88.7Confident89.9Confident142 Ų14235.5 Ų35.566%0.66420%0.195SC*.Hα-helixtrans-73.3-38.4-179.7-173.3175.5-176.500112.8P31 M32 G33 P821P31-E35 PolarHBondContact O-N 2.75Å; P31-E35 VanDerWaalsContact O-N 3.13Å; M32-E35 PolarHBondContact O-N 3.09Å; G33-E35 VanDerWaalsContact C-N 3.32Å; G33-E35 PolarHBondContact O-N 3.02Å; E35-P821 WeakPolarHBondContact O-CG 3.18Å
36L90.5Very high89.3Confident76 Ų7633.9 Ų33.940%0.39819%0.193SC..Hα-helixtrans-97.8-5.5-175-64.2178000114.2L2 L6 M32 G33 F38L2-L36 HydrophobicContact CD2-CD1 4.24Å; L6-L36 HydrophobicContact CD1-CD1 4.38Å; L6-L36 HydrophobicContact CD2-CB 4.42Å; M32-L36 HydrophobicContact CG-CD1 3.7Å; M32-L36 HydrophobicContact CG-CG 4.38Å; M32-L36 WeakPolarHBondContact O-CB 3.28Å; M32-L36 PolarHBondContact O-N 3.14Å; M32-L36 HydrophobicContact SD-CD1 4.38Å; G33-L36 PolarHBondContact O-N 3.35Å; L36-F38 HydrophobicContact CB-CD1 3.81Å; L36-F38 HydrophobicContact CB-CE1 3.7Å; L36-F38 HydrophobicContact CD1-CE1 3.96Å; L36-F38 HydrophobicContact CG-CE1 4.4Å
37G85.9Confident88.8Confident40 Ų4035.1 Ų35.141%0.41220%0.196SC..THydrogen-bonded Turntrans80.834.117500000114.9G33G33-G37 WeakPolarHBondContact O-CA 3.46Å; G33-G37 PolarHBondContact O-N 3.42Å
38F90.6Very high88.7Confident3 Ų333.4 Ų33.41%0.01320%0.198CC..  trans-125.3153171.666-99.7000111.4L2 L5 L6 L29 M32 G33 L36 V40 Y59 V61L2-F38 HydrophobicContact CD2-CE1 3.96Å; L2-F38 HydrophobicContact CD2-CZ 4.26Å; L5-F38 HydrophobicContact CD1-CD1 4.25Å; L5-F38 HydrophobicContact CD1-CD2 4.09Å; L5-F38 HydrophobicContact CD1-CE1 4.39Å; L5-F38 HydrophobicContact CD1-CE2 4.27Å; L5-F38 HydrophobicContact CD1-CG 4.09Å; L5-F38 HydrophobicContact CD1-CZ 4.42Å; L6-F38 HydrophobicContact CD2-CD1 4.4Å; L29-F38 HydrophobicContact CD1-CE2 4.46Å; L29-F38 HydrophobicContact CD1-CZ 4.26Å; L29-F38 HydrophobicContact CD2-CE2 4.22Å; L29-F38 HydrophobicContact CG-CE2 4.14Å; L29-F38 HydrophobicContact CG-CZ 4.41Å; M32-F38 HydrophobicContact CB-CZ 4.5Å; M32-F38 HydrophobicContact CG-CE1 4.26Å; M32-F38 HydrophobicContact CG-CZ 4Å; M32-F38 HydrophobicContact SD-CZ 4.34Å; G33-F38 CarbonylContact C-O 3.52Å; G33-F38 VanDerWaalsContact C-O 3.24Å; G33-F38 VanDerWaalsContact CA-CE2 3.45Å; G33-F38 WeakPolarHBondContact CA-O 3.32Å; G33-F38 PolarHBondContact O-N 2.81Å; G33-F38 VanDerWaalsContact O-O 3.1Å; L36-F38 HydrophobicContact CB-CD1 3.81Å; L36-F38 HydrophobicContact CB-CE1 3.7Å; L36-F38 HydrophobicContact CD1-CE1 3.96Å; L36-F38 HydrophobicContact CG-CE1 4.4Å; F38-V40 HydrophobicContact CD2-CG2 4.24Å; F38-V40 HydrophobicContact CE2-CG2 3.89Å; F38-Y59 WeakPolarHBondContact CA-O 3.25Å; F38-Y59 WeakPolarHBondContact CB-O 3.48Å; F38-V61 HydrophobicContact CD2-CG2 4Å; F38-V61 HydrophobicContact CE2-CG2 4Å
39W89.5Confident88.5Confident24 Ų2437.2 Ų37.29%0.09120%0.2CC..EExtended strand (participates in β ladder)trans-88.7149.7-176.2-50.1124.2000112.1R55 S58 Y59 S60 V61 M781 S784 D788W39-R55 VanDerWaalsContact CD1-CD 3.44Å; W39-S58 PolarHBondContact NE1-OG 3.25Å; W39-Y59 PolarHBondContact N-O 3.34Å; W39-S60 CarbonylContact O-C 3.57Å; W39-S60 WeakPolarHBondContact O-CA 3.49Å; W39-V61 PolarHBondContact O-N 2.76Å; W39-M781 HydrophobicContact CB-SD 4.41Å; W39-M781 HydrophobicContact CE3-SD 3.59Å; W39-M781 VanDerWaalsContact CE3-SD 3.59Å; W39-M781 HydrophobicContact CZ3-SD 4.32Å; W39-S784 VanDerWaalsContact CZ3-CB 3.42Å; W39-D788 HydrophobicContact CZ2-CB 3.93Å; W39-D788 PolarHBondContact NE1-OD2 2.64Å
40V92.6Very high88.1Confident6 Ų637.6 Ų37.64%0.03620%0.202CC..EExtended strand (participates in β ladder)trans-123.1110.2173.8-177.40000108V26 L29 F38 M63 M781V26-V40 HydrophobicContact CB-CG1 4.33Å; V26-V40 HydrophobicContact CG1-CG1 4.2Å; V26-V40 HydrophobicContact CG2-CG1 4.21Å; L29-V40 HydrophobicContact CB-CG1 4.36Å; L29-V40 HydrophobicContact CB-CG2 4.22Å; L29-V40 HydrophobicContact CD2-CG1 4.44Å; L29-V40 HydrophobicContact CD2-CG2 3.99Å; L29-V40 HydrophobicContact CG-CG2 3.88Å; F38-V40 HydrophobicContact CD2-CG2 4.24Å; F38-V40 HydrophobicContact CE2-CG2 3.89Å; V40-M63 HydrophobicContact CG1-CG 4.22Å; V40-M781 HydrophobicContact CB-CE 4.34Å; V40-M781 HydrophobicContact CG2-CE 4.27Å
41E92.1Very high87.9Confident8 Ų839.8 Ų39.84%0.03722%0.216CC..EExtended strand (participates in β ladder)trans-110.5135.2-172.2-65.8177.2-102.900111.3Y43 R55 S60 V61 L62 M63E41-Y43 HydrophobicContact CB-CD2 4.03Å; E41-Y43 HydrophobicContact CB-CE2 3.57Å; E41-R55 VanDerWaalsContact CD-NH2 3.25Å; E41-R55 IonicContact OE1-CZ 2.8Å; E41-R55 IonicContact OE1-NH1 3.67Å; E41-R55 PolarHBondContact OE1-NH1 3.32Å; E41-R55 IonicContact OE1-NH2 3.64Å; E41-R55 PolarHBondContact OE1-NH2 3.49Å; E41-R55 IonicContact OE2-CZ 2.89Å; E41-R55 IonicContact OE2-NH1 3.39Å; E41-R55 PolarHBondContact OE2-NH1 3.33Å; E41-R55 IonicContact OE2-NH2 2.96Å; E41-R55 PolarHBondContact OE2-NH2 3.35Å; E41-S60 WeakPolarHBondContact OE1-CB 3.47Å; E41-S60 PolarHBondContact OE1-OG 2.75Å; E41-V61 PolarHBondContact N-O 3.24Å; E41-L62 HydrophobicContact CB-CD2 4.25Å; E41-L62 WeakPolarHBondContact OE1-CD2 3.34Å; E41-M63 PolarHBondContact O-N 3.41Å
42E92.4Very high87.8Confident21 Ų2138.3 Ų38.310%0.09821%0.206CC..EExtended strand (participates in β ladder)trans-92.8117.8178.6-175.4-176.8169.400111.5V22 Q23 V26 A44 R47 G48V22-E42 HydrophobicContact CG1-CG 4.01Å; Q23-E42 WeakPolarHBondContact CG-OE1 3.41Å; Q23-E42 PolarHBondContact NE2-OE1 3.02Å; V26-E42 HydrophobicContact CG2-CB 4.09Å; V26-E42 HydrophobicContact CG2-CG 4.44Å; E42-A44 HydrophobicContact CG-CB 4.22Å; E42-R47 HydrophobicContact CG-CB 4.42Å; E42-R47 CarbonylContact O-C 3.38Å; E42-R47 WeakPolarHBondContact OE1-CD 3.31Å; E42-R47 VanDerWaalsContact OE2-CD 3.27Å; E42-R47 WeakPolarHBondContact OE2-CD 3.23Å; E42-R47 IonicContact OE2-CZ 2.62Å; E42-R47 IonicContact OE2-NE 3.82Å; E42-R47 IonicContact OE2-NH1 2.78Å; E42-R47 PolarHBondContact OE2-NH1 2.85Å; E42-G48 WeakPolarHBondContact O-CA 2.82Å; E42-G48 PolarHBondContact O-N 3.46Å; E42-G48 VanDerWaalsContact O-N 3.17Å
43Y93.1Very high87.4Confident1 Ų136 Ų360%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-116.571.3176.9-77.5-94.9000110.5E41 R49 I50 P52 L62 M63 A64 T65 K68 I72E41-Y43 HydrophobicContact CB-CD2 4.03Å; E41-Y43 HydrophobicContact CB-CE2 3.57Å; Y43-R49 WeakPolarHBondContact CE1-O 3.39Å; Y43-R49 PolarHBondContact OH-O 3.31Å; Y43-R49 VanDerWaalsContact OH-O 3.1Å; Y43-I50 HydrophobicContact CD1-CD1 4.16Å; Y43-I50 HydrophobicContact CE1-CD1 3.91Å; Y43-P52 HydrophobicContact CE1-CG 4.46Å; Y43-P52 WeakPolarHBondContact OH-CA 3.27Å; Y43-P52 WeakPolarHBondContact OH-CB 3.35Å; Y43-L62 HydrophobicContact CD2-CB 4.16Å; Y43-L62 HydrophobicContact CD2-CD2 4.41Å; Y43-L62 HydrophobicContact CE2-CB 4.22Å; Y43-L62 HydrophobicContact CE2-CD2 3.65Å; Y43-L62 HydrophobicContact CE2-CG 4.42Å; Y43-M63 PolarHBondContact N-O 3.26Å; Y43-A64 VanDerWaalsContact O-CA 3.28Å; Y43-A64 WeakPolarHBondContact O-CA 3.43Å; Y43-T65 PolarHBondContact O-N 2.68Å; Y43-K68 WeakPolarHBondContact O-CB 3.35Å; Y43-K68 WeakPolarHBondContact O-CG 3.33Å; Y43-I72 HydrophobicContact CD1-CD1 3.5Å; Y43-I72 VanDerWaalsContact CD1-CD1 3.5Å; Y43-I72 HydrophobicContact CD1-CG1 3.88Å; Y43-I72 HydrophobicContact CD2-CD1 4.22Å; Y43-I72 HydrophobicContact CE1-CD1 3.96Å; Y43-I72 HydrophobicContact CE1-CG1 4.03Å; Y43-I72 HydrophobicContact CG-CD1 3.64Å
44A88.3Confident86.7Confident3 Ų342.5 Ų42.53%0.02522%0.224CC..SBendtrans-142.6139.5-177.600000112.4V19 V22 E42 S46 R47 T65V19-A44 HydrophobicContact CB-CB 4.39Å; V19-A44 HydrophobicContact CG1-CB 3.98Å; V19-A44 HydrophobicContact CG2-CB 4.19Å; V22-A44 HydrophobicContact CB-CB 4.29Å; V22-A44 HydrophobicContact CG1-CB 3.94Å; E42-A44 HydrophobicContact CG-CB 4.22Å; A44-S46 PolarHBondContact O-N 2.91Å; A44-R47 WeakPolarHBondContact O-CB 3.46Å; A44-R47 PolarHBondContact O-N 3.08Å; A44-T65 HydrophobicContact CB-CG2 3.79Å
45G80.2Confident86Confident13 Ų1342.1 Ų42.113%0.13422%0.221CC..THydrogen-bonded Turntrans56.4-120-178.100000112K68G45-K68 WeakPolarHBondContact O-CE 3.28Å; G45-K68 PolarHBondContact O-NZ 2.85Å; G45-K68 VanDerWaalsContact O-NZ 3.13Å
46S76.7Confident85Confident36 Ų3640.6 Ų40.625%0.25222%0.217SC..THydrogen-bonded Turntrans-84.2-3.9177550000114.6A44 A716A44-S46 PolarHBondContact O-N 2.91Å; S46-A716 VanDerWaalsContact CB-CB 3.44Å; S46-A716 VanDerWaalsContact OG-CB 3.28Å; S46-A716 WeakPolarHBondContact OG-CB 3.46Å
47R81.7Confident84Confident33 Ų3339.9 Ų39.913%0.12523%0.229CC..  trans-89163.4-178.3-62.4179.6175.7-152.6-5.4112.1E42 A44 K68 M727 E728 L729E42-R47 HydrophobicContact CG-CB 4.42Å; E42-R47 CarbonylContact O-C 3.38Å; E42-R47 WeakPolarHBondContact OE1-CD 3.31Å; E42-R47 VanDerWaalsContact OE2-CD 3.27Å; E42-R47 WeakPolarHBondContact OE2-CD 3.23Å; E42-R47 IonicContact OE2-CZ 2.62Å; E42-R47 IonicContact OE2-NE 3.82Å; E42-R47 IonicContact OE2-NH1 2.78Å; E42-R47 PolarHBondContact OE2-NH1 2.85Å; A44-R47 WeakPolarHBondContact O-CB 3.46Å; A44-R47 PolarHBondContact O-N 3.08Å; R47-K68 PolarHBondContact O-NZ 3.2Å; R47-M727 PolarHBondContact NH2-O 3.41Å; R47-E728 PolarHBondContact NH1-O 3.23Å; R47-E728 PolarHBondContact NH2-O 2.82Å; R47-E728 VanDerWaalsContact NH2-O 3.14Å; R47-L729 PolarHBondContact NH2-O 2.93Å
48G85.3Confident83.4Confident27 Ų2738.8 Ų38.828%0.27822%0.215SC..SBendtrans89.7130.5-17900000113.1E42E42-G48 WeakPolarHBondContact O-CA 2.82Å; E42-G48 PolarHBondContact O-N 3.46Å; E42-G48 VanDerWaalsContact O-N 3.17Å
49R83.7Confident83.2Confident165 Ų16541 Ų4162%0.62322%0.223SC*.  trans-88131.7177.1-173.2179.2179-179.30.9110.3Y43 P51 P52Y43-R49 WeakPolarHBondContact CE1-O 3.39Å; Y43-R49 PolarHBondContact OH-O 3.31Å; Y43-R49 VanDerWaalsContact OH-O 3.1Å; R49-P51 CarbonylContact C-O 3.57Å; R49-P51 CarbonylContact O-C 3.55Å; R49-P51 VanDerWaalsContact O-C 3.22Å; R49-P51 VanDerWaalsContact O-O 3.11Å; R49-P52 WeakPolarHBondContact O-CA 3.22Å
50I85.8Confident83.3Confident27 Ų2740 Ų4014%0.13822%0.22CC..SBendtrans-119.2126.1178.5-58.8-64.3000108.9Y43 T71 I72 Y689Y43-I50 HydrophobicContact CD1-CD1 4.16Å; Y43-I50 HydrophobicContact CE1-CD1 3.91Å; I50-T71 HydrophobicContact CB-CG2 4.42Å; I50-T71 HydrophobicContact CD1-CG2 4.05Å; I50-T71 HydrophobicContact CG1-CG2 3.94Å; I50-T71 HydrophobicContact CG2-CG2 3.74Å; I50-I72 HydrophobicContact CD1-CG1 3.67Å; I50-Y689 HydrophobicContact CG2-CD1 4.35Å; I50-Y689 HydrophobicContact CG2-CE1 3.79Å; I50-Y689 HydrophobicContact CG2-CE2 4.36Å
51P87.7Confident83.5Confident51 Ų5139.7 Ų39.733%0.33122%0.218SC..SBendcis-57.2155.5-11.921.4-31.3000112.7R49 S75 T79R49-P51 CarbonylContact C-O 3.57Å; R49-P51 CarbonylContact O-C 3.55Å; R49-P51 VanDerWaalsContact O-C 3.22Å; R49-P51 VanDerWaalsContact O-O 3.11Å; P51-S75 WeakPolarHBondContact CA-OG 3.26Å; P51-S75 WeakPolarHBondContact CB-OG 3.38Å; P51-T79 HydrophobicContact CB-CG2 4.35Å; P51-T79 HydrophobicContact CG-CG2 4.42Å
52P89.2Confident83.7Confident17 Ų1739.6 Ų39.611%0.1122%0.217CC..  trans-53.4145.6165.9-23.133.4000111.2Y43 R49 K54 L62 I72 L76Y43-P52 HydrophobicContact CE1-CG 4.46Å; Y43-P52 WeakPolarHBondContact OH-CA 3.27Å; Y43-P52 WeakPolarHBondContact OH-CB 3.35Å; R49-P52 WeakPolarHBondContact O-CA 3.22Å; P52-K54 PolarHBondContact O-N 3.5Å; P52-K54 VanDerWaalsContact O-N 3.09Å; P52-L62 HydrophobicContact CB-CD1 4.44Å; P52-L62 HydrophobicContact CG-CD1 4.21Å; P52-I72 HydrophobicContact CG-CG1 4.32Å; P52-I72 HydrophobicContact CG-CG2 3.94Å; P52-L76 HydrophobicContact CG-CD2 4.41Å
53V82Confident83.9Confident29 Ų2938.8 Ų38.818%0.17621%0.214CC..  trans-64.7115.4178.1-176.60000108.1R55 A789V53-R55 HydrophobicContact CG1-CG 4.27Å; V53-R55 PolarHBondContact O-N 3.31Å; V53-R55 PolarHBondContact O-NH1 2.89Å; V53-A789 HydrophobicContact CG1-CB 4.17Å
54K75.8Confident84Confident137 Ų13738.8 Ų38.860%0.59621%0.214SC*.  trans-62.2130.2169.3-180-179.7-179.5-177.70107P52 Q792P52-K54 PolarHBondContact O-N 3.5Å; P52-K54 VanDerWaalsContact O-N 3.09Å; K54-Q792 PolarHBondContact O-NE2 3.44Å; K54-Q792 PolarHBondContact O-OE1 3.14Å
55R73.2Confident84.3Confident25 Ų2539 Ų399%0.09422%0.215CC..  trans-121.8142.3-178.6-68.2177.3-178.191.2-8.1112W39 E41 V53 S58 S60 E785 D788 Q792W39-R55 VanDerWaalsContact CD1-CD 3.44Å; E41-R55 VanDerWaalsContact CD-NH2 3.25Å; E41-R55 IonicContact OE1-CZ 2.8Å; E41-R55 IonicContact OE1-NH1 3.67Å; E41-R55 PolarHBondContact OE1-NH1 3.32Å; E41-R55 IonicContact OE1-NH2 3.64Å; E41-R55 PolarHBondContact OE1-NH2 3.49Å; E41-R55 IonicContact OE2-CZ 2.89Å; E41-R55 IonicContact OE2-NH1 3.39Å; E41-R55 PolarHBondContact OE2-NH1 3.33Å; E41-R55 IonicContact OE2-NH2 2.96Å; E41-R55 PolarHBondContact OE2-NH2 3.35Å; V53-R55 HydrophobicContact CG1-CG 4.27Å; V53-R55 PolarHBondContact O-N 3.31Å; V53-R55 PolarHBondContact O-NH1 2.89Å; R55-S58 WeakPolarHBondContact CB-O 3.29Å; R55-S58 WeakPolarHBondContact CB-OG 3.3Å; R55-S58 WeakPolarHBondContact CD-OG 3.4Å; R55-S60 PolarHBondContact NH1-OG 3.01Å; R55-S60 VanDerWaalsContact NH1-OG 3.13Å; R55-E785 IonicContact NH2-OE1 2.73Å; R55-E785 PolarHBondContact NH2-OE1 3.44Å; R55-E785 VanDerWaalsContact NH2-OE1 3.16Å; R55-D788 WeakPolarHBondContact CD-OD2 3.37Å; R55-D788 IonicContact NE-OD2 3.7Å; R55-Q792 VanDerWaalsContact CA-OE1 3.3Å
56N67.9Low85Confident110 Ų11038.4 Ų38.459%0.58821%0.209SC*.SBendtrans-100.4104.6178.2-73.9-18.3000110.1S58N56-S58 VanDerWaalsContact C-N 3.34Å; N56-S58 PolarHBondContact O-N 3.4Å
57G69.6Low85.8Confident62 Ų6240.2 Ų40.264%0.63921%0.213SC*.SBendtrans87.1-7.1174.900000115.6
58S74.2Confident86.3Confident17 Ų1739.3 Ų39.312%0.11921%0.21CC..  trans-115.5148169.364.80000110.1W39 R55 N56 D788W39-S58 PolarHBondContact NE1-OG 3.25Å; R55-S58 WeakPolarHBondContact CB-O 3.29Å; R55-S58 WeakPolarHBondContact CB-OG 3.3Å; R55-S58 WeakPolarHBondContact CD-OG 3.4Å; N56-S58 VanDerWaalsContact C-N 3.34Å; N56-S58 PolarHBondContact O-N 3.4Å; S58-D788 PolarHBondContact OG-OD2 2.87Å
59Y86.7Confident86.8Confident50 Ų5038 Ų3820%0.19620%0.197CC..  trans-128.9153.1-174.5-55.4-69.6000110.9N9 F38 W39N9-Y59 VanDerWaalsContact C-CD1 3.48Å; N9-Y59 HydrophobicContact CB-CD2 4.2Å; N9-Y59 HydrophobicContact CB-CE1 4.22Å; N9-Y59 HydrophobicContact CB-CE2 3.35Å; N9-Y59 WeakPolarHBondContact CB-OH 3.38Å; N9-Y59 VanDerWaalsContact CG-CE2 3.45Å; N9-Y59 WeakPolarHBondContact O-CD1 3.42Å; N9-Y59 WeakPolarHBondContact O-CE1 3.15Å; N9-Y59 PolarHBondContact O-OH 3.06Å; N9-Y59 WeakPolarHBondContact OD1-CE2 3.27Å; F38-Y59 WeakPolarHBondContact CA-O 3.25Å; F38-Y59 WeakPolarHBondContact CB-O 3.48Å; W39-Y59 PolarHBondContact N-O 3.34Å
60S91.8Very high87.3Confident2 Ų230.4 Ų30.41%0.01417%0.168CC..EExtended strand (participates in β ladder)trans-122.5146.9-172.8-58.90000112.1S11 V12 W39 E41 R55S11-S60 WeakPolarHBondContact CA-O 3.39Å; S11-S60 WeakPolarHBondContact CB-O 3.42Å; S11-S60 PolarHBondContact OG-N 3.22Å; V12-S60 PolarHBondContact N-O 3.48Å; W39-S60 CarbonylContact O-C 3.57Å; W39-S60 WeakPolarHBondContact O-CA 3.49Å; E41-S60 WeakPolarHBondContact OE1-CB 3.47Å; E41-S60 PolarHBondContact OE1-OG 2.75Å; R55-S60 PolarHBondContact NH1-OG 3.01Å; R55-S60 VanDerWaalsContact NH1-OG 3.13Å
61V95.6Very high87.6Confident0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-95.9108.5158.7-172.50000107.9M1 L5 V12 L29 F38 W39 E41 M63M1-V61 HydrophobicContact SD-CG1 4.16Å; M1-V61 HydrophobicContact SD-CG2 4.15Å; L5-V61 HydrophobicContact CD1-CG2 3.48Å; L5-V61 VanDerWaalsContact CD1-CG2 3.48Å; L5-V61 HydrophobicContact CD2-CG2 3.98Å; L5-V61 HydrophobicContact CG-CG2 4.32Å; V12-V61 CarbonylContact O-C 3.57Å; V12-V61 WeakPolarHBondContact O-CA 3.47Å; L29-V61 HydrophobicContact CD2-CB 4.08Å; L29-V61 HydrophobicContact CD2-CG1 3.95Å; L29-V61 HydrophobicContact CD2-CG2 4.08Å; F38-V61 HydrophobicContact CD2-CG2 4Å; F38-V61 HydrophobicContact CE2-CG2 4Å; W39-V61 PolarHBondContact O-N 2.76Å; E41-V61 PolarHBondContact N-O 3.24Å; V61-M63 HydrophobicContact CG1-CE 3.66Å; V61-M63 HydrophobicContact CG1-CG 4.33Å; V61-M63 HydrophobicContact CG1-SD 4.21Å; V61-M63 PolarHBondContact O-N 3.4Å
62L96.2Very high88Confident5 Ų527.5 Ų27.53%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-84.5101.4177-47.1178.6000108.2V12 L13 F14 E41 Y43 P52 A64 I72 L85V12-L62 PolarHBondContact O-N 2.96Å; L13-L62 HydrophobicContact CD1-CB 3.85Å; F14-L62 PolarHBondContact N-O 3.42Å; E41-L62 HydrophobicContact CB-CD2 4.25Å; E41-L62 WeakPolarHBondContact OE1-CD2 3.34Å; Y43-L62 HydrophobicContact CD2-CB 4.16Å; Y43-L62 HydrophobicContact CD2-CD2 4.41Å; Y43-L62 HydrophobicContact CE2-CB 4.22Å; Y43-L62 HydrophobicContact CE2-CD2 3.65Å; Y43-L62 HydrophobicContact CE2-CG 4.42Å; P52-L62 HydrophobicContact CB-CD1 4.44Å; P52-L62 HydrophobicContact CG-CD1 4.21Å; L62-A64 PolarHBondContact O-N 2.99Å; L62-I72 HydrophobicContact CD1-CG2 4.05Å; L62-L85 HydrophobicContact CD1-CD1 4.14Å
63M96.4Very high88.3Confident5 Ų526.7 Ų26.73%0.02515%0.146CC..EExtended strand (participates in β ladder)trans-87.8106177.7-67.7-71.2-173.900109.2F14 L16 V22 K25 V26 L29 V40 E41 Y43 V61F14-M63 HydrophobicContact CB-CE 4.47Å; F14-M63 HydrophobicContact CB-SD 3.61Å; F14-M63 HydrophobicContact CD2-CE 4.13Å; F14-M63 HydrophobicContact CD2-SD 4.11Å; F14-M63 HydrophobicContact CG-SD 3.9Å; L16-M63 HydrophobicContact CD1-SD 4.28Å; V22-M63 HydrophobicContact CG1-CB 4.02Å; V22-M63 WeakPolarHBondContact CG1-O 3.49Å; K25-M63 HydrophobicContact CB-CE 4.12Å; K25-M63 HydrophobicContact CB-SD 4.1Å; V26-M63 HydrophobicContact CG2-CB 3.6Å; V26-M63 HydrophobicContact CG2-CG 3.8Å; L29-M63 HydrophobicContact CB-CE 4.35Å; L29-M63 HydrophobicContact CD2-CE 3.38Å; L29-M63 HydrophobicContact CG-CE 4.49Å; V40-M63 HydrophobicContact CG1-CG 4.22Å; E41-M63 PolarHBondContact O-N 3.41Å; Y43-M63 PolarHBondContact N-O 3.26Å; V61-M63 HydrophobicContact CG1-CE 3.66Å; V61-M63 HydrophobicContact CG1-CG 4.33Å; V61-M63 HydrophobicContact CG1-SD 4.21Å; V61-M63 PolarHBondContact O-N 3.4Å
64A96.8Very high88.9Confident0 Ų025.5 Ų25.50%014%0.138CC..EExtended strand (participates in β ladder)trans-123.9147.2-167.700000113.6L13 F14 I15 L16 Y43 L62 K68 I72L13-A64 HydrophobicContact CD1-CB 3.82Å; F14-A64 PolarHBondContact O-N 3.41Å; I15-A64 WeakPolarHBondContact CA-O 3.22Å; L16-A64 PolarHBondContact N-O 2.88Å; Y43-A64 VanDerWaalsContact O-CA 3.28Å; Y43-A64 WeakPolarHBondContact O-CA 3.43Å; L62-A64 PolarHBondContact O-N 2.99Å; A64-K68 HydrophobicContact CB-CB 4.29Å; A64-I72 HydrophobicContact CB-CD1 3.94Å
65T94.6Very high89.8Confident7 Ų719.2 Ų19.24%0.04311%0.111CC..EExtended strand (participates in β ladder)trans-71.6163.6159.770.80000110.4L16 V19 V22 Y43 A44 E67 K68 G69L16-T65 WeakPolarHBondContact O-CA 3.48Å; V19-T65 HydrophobicContact CG2-CG2 3.86Å; V22-T65 HydrophobicContact CG2-CG2 4Å; Y43-T65 PolarHBondContact O-N 2.68Å; A44-T65 HydrophobicContact CB-CG2 3.79Å; T65-E67 VanDerWaalsContact C-N 3.25Å; T65-E67 VanDerWaalsContact CB-OE2 3.24Å; T65-E67 WeakPolarHBondContact CB-OE2 3.25Å; T65-E67 PolarHBondContact O-N 3.05Å; T65-E67 PolarHBondContact OG1-OE2 2.76Å; T65-K68 PolarHBondContact O-N 3.41Å; T65-G69 PolarHBondContact O-N 3.12Å
66I95.2Very high90.8Very high2 Ų218.4 Ų18.41%0.0111%0.109CC..Hα-helixtrans-49.3-47.7177.5-62.6175.2000111.8I15 L16 G69 H70 M95 R102 C105 L106I15-I66 HydrophobicContact CG2-CB 4.42Å; I15-I66 HydrophobicContact CG2-CG1 3.94Å; L16-I66 PolarHBondContact O-N 3.04Å; I66-G69 PolarHBondContact O-N 2.65Å; I66-H70 PolarHBondContact O-N 3.12Å; I66-M95 HydrophobicContact CD1-CE 4.48Å; I66-M95 HydrophobicContact CD1-SD 4.16Å; I66-R102 HydrophobicContact CD1-CB 4.23Å; I66-R102 WeakPolarHBondContact CG2-O 3.39Å; I66-C105 HydrophobicContact CG2-CB 3.69Å; I66-L106 HydrophobicContact CB-CD2 4.48Å; I66-L106 HydrophobicContact CD1-CD1 3.78Å; I66-L106 HydrophobicContact CD1-CD2 4.34Å; I66-L106 HydrophobicContact CD1-CG 3.94Å; I66-L106 HydrophobicContact CG1-CD1 4.33Å; I66-L106 HydrophobicContact CG1-CD2 3.97Å; I66-L106 HydrophobicContact CG1-CG 4.07Å; I66-L106 HydrophobicContact CG2-CD2 3.97Å; I66-L106 HydrophobicContact CG2-CG 3.74Å
67E92Very high92.1Very high73 Ų7313.9 Ų13.934%0.3419%0.085SC..Hα-helixtrans-66.8-41.6-175.7-51.781-17800111.2T65 H70 T71 R102T65-E67 VanDerWaalsContact C-N 3.25Å; T65-E67 VanDerWaalsContact CB-OE2 3.24Å; T65-E67 WeakPolarHBondContact CB-OE2 3.25Å; T65-E67 PolarHBondContact O-N 3.05Å; T65-E67 PolarHBondContact OG1-OE2 2.76Å; E67-H70 WeakPolarHBondContact O-CB 3.42Å; E67-H70 PolarHBondContact O-N 2.65Å; E67-T71 PolarHBondContact O-N 2.91Å; E67-T71 PolarHBondContact O-OG1 3.41Å; E67-R102 WeakPolarHBondContact OE1-CD 3.48Å; E67-R102 WeakPolarHBondContact OE1-CG 3.35Å; E67-R102 IonicContact OE1-CZ 2.76Å; E67-R102 IonicContact OE1-NE 3.34Å; E67-R102 IonicContact OE1-NH1 2.82Å; E67-R102 PolarHBondContact OE1-NH1 2.78Å; E67-R102 IonicContact OE2-NH1 2.85Å
68K92.1Very high93.2Very high14 Ų1414.1 Ų14.16%0.0617%0.071CC..Hα-helixtrans-72.1-37.3176.7-74.4-78-178.91580112.2Y43 G45 R47 A64 T65 H70 T71 I72Y43-K68 WeakPolarHBondContact O-CB 3.35Å; Y43-K68 WeakPolarHBondContact O-CG 3.33Å; G45-K68 WeakPolarHBondContact O-CE 3.28Å; G45-K68 PolarHBondContact O-NZ 2.85Å; G45-K68 VanDerWaalsContact O-NZ 3.13Å; R47-K68 PolarHBondContact O-NZ 3.2Å; A64-K68 HydrophobicContact CB-CB 4.29Å; T65-K68 PolarHBondContact O-N 3.41Å; K68-H70 PolarHBondContact O-N 3.31Å; K68-T71 PolarHBondContact O-N 3.13Å; K68-I72 WeakPolarHBondContact O-CG1 3.32Å; K68-I72 PolarHBondContact O-N 3.05Å
69G95.4Very high94Very high0 Ų016.2 Ų16.20%08%0.083CC..Hα-helixtrans-57-41.617200000111.4T65 I66 I72 V73T65-G69 PolarHBondContact O-N 3.12Å; I66-G69 PolarHBondContact O-N 2.65Å; G69-I72 PolarHBondContact O-N 2.97Å; G69-V73 WeakPolarHBondContact O-CG2 3.39Å; G69-V73 PolarHBondContact O-N 3.46Å
70H95.2Very high94.3Very high5 Ų522.3 Ų22.32%0.02311%0.111CC..Hα-helixtrans-60.1-50.1174-176.8-128.8000112.2I66 E67 K68 I72 V73 N74 C105 M108 I109 K112I66-H70 PolarHBondContact O-N 3.12Å; E67-H70 WeakPolarHBondContact O-CB 3.42Å; E67-H70 PolarHBondContact O-N 2.65Å; K68-H70 PolarHBondContact O-N 3.31Å; H70-I72 VanDerWaalsContact C-N 3.35Å; H70-I72 PolarHBondContact O-N 3.17Å; H70-V73 PolarHBondContact O-N 3.09Å; H70-N74 VanDerWaalsContact O-CG 3.28Å; H70-N74 PolarHBondContact O-N 2.95Å; H70-N74 PolarHBondContact O-OD1 2.9Å; H70-C105 HydrophobicContact CB-CB 4.46Å; H70-M108 VanDerWaalsContact NE2-CE 3.28Å; H70-M108 WeakPolarHBondContact NE2-CE 3.21Å; H70-I109 HydrophobicContact CB-CD1 3.81Å; H70-I109 HydrophobicContact CB-CG1 3.89Å; H70-I109 VanDerWaalsContact N-CD1 3.33Å; H70-K112 PolarHBondContact CD2-NZ 2.89Å; H70-K112 PolarHBondContact NE2-NZ 3.41Å
71T92.9Very high94.3Very high17 Ų1724 Ų2410%0.10412%0.121CC..Hα-helixtrans-62.6-39.1177.6-53.20000112.6I50 E67 K68 N74 S75I50-T71 HydrophobicContact CB-CG2 4.42Å; I50-T71 HydrophobicContact CD1-CG2 4.05Å; I50-T71 HydrophobicContact CG1-CG2 3.94Å; I50-T71 HydrophobicContact CG2-CG2 3.74Å; E67-T71 PolarHBondContact O-N 2.91Å; E67-T71 PolarHBondContact O-OG1 3.41Å; K68-T71 PolarHBondContact O-N 3.13Å; T71-N74 PolarHBondContact O-N 3.47Å; T71-S75 VanDerWaalsContact O-CB 3.32Å; T71-S75 WeakPolarHBondContact O-CB 3.5Å; T71-S75 PolarHBondContact O-N 2.65Å
72I94.7Very high94.1Very high0 Ų024.5 Ų24.50%012%0.124CC..Hα-helixtrans-60-51.6176.3-70.7163.9000110.1L13 Y43 I50 P52 L62 A64 K68 G69 H70 N74 S75 L76L13-I72 HydrophobicContact CD1-CD1 3.83Å; L13-I72 HydrophobicContact CD1-CG2 4.48Å; Y43-I72 HydrophobicContact CD1-CD1 3.5Å; Y43-I72 VanDerWaalsContact CD1-CD1 3.5Å; Y43-I72 HydrophobicContact CD1-CG1 3.88Å; Y43-I72 HydrophobicContact CD2-CD1 4.22Å; Y43-I72 HydrophobicContact CE1-CD1 3.96Å; Y43-I72 HydrophobicContact CE1-CG1 4.03Å; Y43-I72 HydrophobicContact CG-CD1 3.64Å; I50-I72 HydrophobicContact CD1-CG1 3.67Å; P52-I72 HydrophobicContact CG-CG1 4.32Å; P52-I72 HydrophobicContact CG-CG2 3.94Å; L62-I72 HydrophobicContact CD1-CG2 4.05Å; A64-I72 HydrophobicContact CB-CD1 3.94Å; K68-I72 WeakPolarHBondContact O-CG1 3.32Å; K68-I72 PolarHBondContact O-N 3.05Å; G69-I72 PolarHBondContact O-N 2.97Å; H70-I72 VanDerWaalsContact C-N 3.35Å; H70-I72 PolarHBondContact O-N 3.17Å; I72-N74 VanDerWaalsContact C-N 3.32Å; I72-N74 PolarHBondContact O-N 3.29Å; I72-S75 PolarHBondContact O-N 2.94Å; I72-S75 VanDerWaalsContact O-N 3.17Å; I72-L76 HydrophobicContact CG2-CD1 3.78Å; I72-L76 HydrophobicContact CG2-CG 4.24Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.04Å
73V95.9Very high93.9Very high1 Ų128.7 Ų28.71%0.00615%0.146CC..Hα-helixtrans-60.7-43.1-179.4170.50000110.8L13 G69 H70 S75 L76 I77 I109 K112 L113L13-V73 HydrophobicContact CD2-CG2 3.95Å; G69-V73 WeakPolarHBondContact O-CG2 3.39Å; G69-V73 PolarHBondContact O-N 3.46Å; H70-V73 PolarHBondContact O-N 3.09Å; V73-S75 VanDerWaalsContact C-N 3.33Å; V73-S75 PolarHBondContact O-N 3.12Å; V73-L76 PolarHBondContact O-N 3.14Å; V73-I77 HydrophobicContact CG1-CD1 3.66Å; V73-I77 HydrophobicContact CG1-CG1 4.43Å; V73-I77 WeakPolarHBondContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.23Å; V73-I77 PolarHBondContact O-N 2.95Å; V73-I109 HydrophobicContact CG2-CG2 4.15Å; V73-K112 HydrophobicContact CG1-CB 4.45Å; V73-L113 HydrophobicContact CG1-CD2 4.36Å; V73-L113 HydrophobicContact CG1-CG 4.38Å; V73-L113 HydrophobicContact CG2-CD2 4.21Å; V73-L113 HydrophobicContact CG2-CG 4.47Å
74N95.3Very high93.6Very high4 Ų431.2 Ų31.22%0.02117%0.165CC..Hα-helixtrans-58.1-47.7175.2-68.73.1000111.7H70 T71 I72 L76 I77 D78 K112 L461 V544H70-N74 VanDerWaalsContact O-CG 3.28Å; H70-N74 PolarHBondContact O-N 2.95Å; H70-N74 PolarHBondContact O-OD1 2.9Å; T71-N74 PolarHBondContact O-N 3.47Å; I72-N74 VanDerWaalsContact C-N 3.32Å; I72-N74 PolarHBondContact O-N 3.29Å; N74-L76 PolarHBondContact O-N 3.21Å; N74-I77 PolarHBondContact O-N 3.16Å; N74-D78 WeakPolarHBondContact O-CB 3.44Å; N74-D78 PolarHBondContact O-N 3.44Å; N74-K112 PolarHBondContact OD1-NZ 2.95Å; N74-L461 HydrophobicContact CB-CD1 4.21Å; N74-L461 HydrophobicContact CB-CD2 4.29Å; N74-L461 WeakPolarHBondContact O-CD2 3.29Å; N74-V544 PolarHBondContact ND2-O 2.83Å; N74-V544 VanDerWaalsContact ND2-O 3.15Å
75S93.8Very high93.4Very high4 Ų431.3 Ų31.33%0.02817%0.165CC..Hα-helixtrans-67.5-36.3-177.2-163.80000112.4P51 T71 I72 V73 T79P51-S75 WeakPolarHBondContact CA-OG 3.26Å; P51-S75 WeakPolarHBondContact CB-OG 3.38Å; T71-S75 VanDerWaalsContact O-CB 3.32Å; T71-S75 WeakPolarHBondContact O-CB 3.5Å; T71-S75 PolarHBondContact O-N 2.65Å; I72-S75 PolarHBondContact O-N 2.94Å; I72-S75 VanDerWaalsContact O-N 3.17Å; V73-S75 VanDerWaalsContact C-N 3.33Å; V73-S75 PolarHBondContact O-N 3.12Å; S75-T79 WeakPolarHBondContact O-CB 3.38Å; S75-T79 VanDerWaalsContact O-CG2 3.3Å; S75-T79 WeakPolarHBondContact O-CG2 3.47Å; S75-T79 PolarHBondContact O-N 3.34Å; S75-T79 PolarHBondContact O-OG1 3.4Å
76L94.6Very high93.5Very high8 Ų831 Ų314%0.04216%0.163CC..Hα-helixtrans-70.4-33.2175-68.6177.6000112.6P52 I72 V73 N74 T79 K80 T81 L82 L85P52-L76 HydrophobicContact CG-CD2 4.41Å; I72-L76 HydrophobicContact CG2-CD1 3.78Å; I72-L76 HydrophobicContact CG2-CG 4.24Å; I72-L76 WeakPolarHBondContact O-CG 3.33Å; I72-L76 PolarHBondContact O-N 3.04Å; V73-L76 PolarHBondContact O-N 3.14Å; N74-L76 PolarHBondContact O-N 3.21Å; L76-T79 WeakPolarHBondContact CA-OG1 3.33Å; L76-T79 PolarHBondContact O-OG1 2.84Å; L76-K80 PolarHBondContact O-N 2.81Å; L76-K80 VanDerWaalsContact O-N 3.16Å; L76-T81 VanDerWaalsContact CD2-OG1 3.29Å; L76-T81 WeakPolarHBondContact CD2-OG1 3.18Å; L76-T81 PolarHBondContact O-N 2.75Å; L76-L82 HydrophobicContact CB-CB 4.29Å; L76-L82 HydrophobicContact CB-CD1 3.91Å; L76-L82 HydrophobicContact CD1-CD1 4.2Å; L76-L82 PolarHBondContact O-N 2.75Å; L76-L85 HydrophobicContact CD1-CD1 3.85Å
77I95.4Very high93.6Very high16 Ų1631 Ų318%0.08216%0.163CC..Hα-helixtrans-68.6-49.5172.5-67.3163.9000110.1V73 N74 T79 K80 L82 K112 L461 L463V73-I77 HydrophobicContact CG1-CD1 3.66Å; V73-I77 HydrophobicContact CG1-CG1 4.43Å; V73-I77 WeakPolarHBondContact O-CD1 3.28Å; V73-I77 WeakPolarHBondContact O-CG1 3.23Å; V73-I77 PolarHBondContact O-N 2.95Å; N74-I77 PolarHBondContact O-N 3.16Å; I77-T79 VanDerWaalsContact C-N 3.3Å; I77-T79 PolarHBondContact O-N 2.96Å; I77-K80 PolarHBondContact O-N 2.88Å; I77-L82 HydrophobicContact CD1-CD2 4.41Å; I77-L82 HydrophobicContact CG1-CD2 3.84Å; I77-K112 HydrophobicContact CD1-CB 4.01Å; I77-K112 HydrophobicContact CD1-CD 4.3Å; I77-L461 HydrophobicContact CB-CD1 4.27Å; I77-L461 HydrophobicContact CD1-CD1 4.11Å; I77-L461 HydrophobicContact CG2-CB 3.84Å; I77-L461 HydrophobicContact CG2-CD1 4.14Å; I77-L461 HydrophobicContact CG2-CD2 4.41Å; I77-L461 HydrophobicContact CG2-CG 4.36Å; I77-L463 HydrophobicContact CD1-CD1 4.34Å; I77-L463 HydrophobicContact CG2-CD1 4.47Å; I77-L463 HydrophobicContact CG2-CD2 3.84Å; I77-L463 HydrophobicContact CG2-CG 4.25Å
78D92.6Very high93.8Very high67 Ų6727.5 Ų27.536%0.35815%0.147SC..Hα-helixtrans-57.5-42.1179.3-171.354.1000111.7N74 K80 L461 K545N74-D78 WeakPolarHBondContact O-CB 3.44Å; N74-D78 PolarHBondContact O-N 3.44Å; D78-K80 VanDerWaalsContact C-N 3.29Å; D78-K80 PolarHBondContact O-N 2.83Å; D78-L461 HydrophobicContact CB-CD2 4.04Å; D78-K545 WeakPolarHBondContact OD2-CE 3.44Å
79T91.9Very high94.1Very high60 Ų6027.4 Ų27.437%0.36815%0.147SC..THydrogen-bonded Turntrans-81.7-2.3176.757.70000114.2P51 S75 L76 I77 T81P51-T79 HydrophobicContact CB-CG2 4.35Å; P51-T79 HydrophobicContact CG-CG2 4.42Å; S75-T79 WeakPolarHBondContact O-CB 3.38Å; S75-T79 VanDerWaalsContact O-CG2 3.3Å; S75-T79 WeakPolarHBondContact O-CG2 3.47Å; S75-T79 PolarHBondContact O-N 3.34Å; S75-T79 PolarHBondContact O-OG1 3.4Å; L76-T79 WeakPolarHBondContact CA-OG1 3.33Å; L76-T79 PolarHBondContact O-OG1 2.84Å; I77-T79 VanDerWaalsContact C-N 3.3Å; I77-T79 PolarHBondContact O-N 2.96Å; T79-T81 VanDerWaalsContact C-N 3.25Å; T79-T81 PolarHBondContact O-N 2.88Å; T79-T81 PolarHBondContact OG1-OG1 2.72Å
80K92.3Very high94.2Very high179 Ų17927.4 Ų27.478%0.77815%0.147SC*.THydrogen-bonded Turntrans55.837.2-176.2-53.9-178.7-179.3-179.30113.3L76 I77 D78L76-K80 PolarHBondContact O-N 2.81Å; L76-K80 VanDerWaalsContact O-N 3.16Å; I77-K80 PolarHBondContact O-N 2.88Å; D78-K80 VanDerWaalsContact C-N 3.29Å; D78-K80 PolarHBondContact O-N 2.83Å
81T91.5Very high94.2Very high38 Ų3828.8 Ų28.823%0.23316%0.155CC..  trans-117.611.3-179.660.40000113.6L76 T79 D83 S84L76-T81 VanDerWaalsContact CD2-OG1 3.29Å; L76-T81 WeakPolarHBondContact CD2-OG1 3.18Å; L76-T81 PolarHBondContact O-N 2.75Å; T79-T81 VanDerWaalsContact C-N 3.25Å; T79-T81 PolarHBondContact O-N 2.88Å; T79-T81 PolarHBondContact OG1-OG1 2.72Å; T81-D83 PolarHBondContact O-N 3.2Å; T81-D83 VanDerWaalsContact O-N 3.14Å; T81-S84 VanDerWaalsContact O-CB 3.27Å; T81-S84 WeakPolarHBondContact O-CB 3.22Å; T81-S84 PolarHBondContact O-N 3.42Å; T81-S84 PolarHBondContact O-OG 3.09Å
82L92.3Very high94Very high9 Ų930.3 Ų30.35%0.04716%0.16CC..G310 helixtrans-55.7-32.2-178.9-171.466.4000113.5L76 I77 S84 L85 L113L76-L82 HydrophobicContact CB-CB 4.29Å; L76-L82 HydrophobicContact CB-CD1 3.91Å; L76-L82 HydrophobicContact CD1-CD1 4.2Å; L76-L82 PolarHBondContact O-N 2.75Å; I77-L82 HydrophobicContact CD1-CD2 4.41Å; I77-L82 HydrophobicContact CG1-CD2 3.84Å; L82-S84 PolarHBondContact O-N 2.68Å; L82-S84 VanDerWaalsContact O-N 3.12Å; L82-L85 VanDerWaalsContact O-CB 3.22Å; L82-L85 WeakPolarHBondContact O-CB 3.44Å; L82-L85 PolarHBondContact O-N 3.27Å; L82-L113 HydrophobicContact CD1-CD2 3.98Å; L82-L113 HydrophobicContact CD2-CD2 4.34Å
83D90.7Very high93.9Very high93 Ų9331 Ų3150%0.49716%0.164SC..G310 helixtrans-64.9-15.6179.4-66.9-28.2000114.6K10 T81 L85 S117K10-D83 PolarHBondContact NZ-O 2.71Å; T81-D83 PolarHBondContact O-N 3.2Å; T81-D83 VanDerWaalsContact O-N 3.14Å; D83-L85 PolarHBondContact O-N 3.15Å; D83-S117 WeakPolarHBondContact OD1-CB 3.41Å; D83-S117 PolarHBondContact OD1-OG 3.35Å
84S90.2Very high93.5Very high59 Ų5931.3 Ų31.341%0.41317%0.165SC..G310 helixtrans-64.4-18.1169.368.40000112.6S11 T81 L82S11-S84 PolarHBondContact N-O 3.2Å; T81-S84 VanDerWaalsContact O-CB 3.27Å; T81-S84 WeakPolarHBondContact O-CB 3.22Å; T81-S84 PolarHBondContact O-N 3.42Å; T81-S84 PolarHBondContact O-OG 3.09Å; L82-S84 PolarHBondContact O-N 2.68Å; L82-S84 VanDerWaalsContact O-N 3.12Å
85L94Very high93.1Very high1 Ų132.2 Ų32.21%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-94110.3179.3-146.7109.9000110.6L13 L62 L76 L82 D83 V88 T120L13-L85 HydrophobicContact CB-CD1 3.96Å; L13-L85 HydrophobicContact CB-CD2 3.75Å; L13-L85 HydrophobicContact CB-CG 4.33Å; L62-L85 HydrophobicContact CD1-CD1 4.14Å; L76-L85 HydrophobicContact CD1-CD1 3.85Å; L82-L85 VanDerWaalsContact O-CB 3.22Å; L82-L85 WeakPolarHBondContact O-CB 3.44Å; L82-L85 PolarHBondContact O-N 3.27Å; D83-L85 PolarHBondContact O-N 3.15Å; L85-V88 HydrophobicContact CD2-CG2 3.21Å; L85-T120 HydrophobicContact CD2-CG2 3.98Å; L85-T120 WeakPolarHBondContact O-CG2 3.37Å; L85-T120 PolarHBondContact O-OG1 3.48Å
86G94.7Very high93Very high1 Ų132.1 Ų32.11%0.0117%0.169CC..EExtended strand (participates in β ladder)trans-87.4-27.4-176.800000113.7E4 K10 S11 R121E4-G86 WeakPolarHBondContact OE2-CA 3.48Å; K10-G86 VanDerWaalsContact CD-CA 3.41Å; S11-G86 PolarHBondContact O-N 3.12Å; G86-R121 PolarHBondContact O-N 3.36Å
87L97.3Very high92.7Very high1 Ų132.5 Ų32.51%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-148.4137.2-176.5171.268.4000111.7M1 E4 V12 L13 I89 R121 I123M1-L87 HydrophobicContact CB-CD2 4.39Å; E4-L87 HydrophobicContact CG-CB 3.78Å; E4-L87 HydrophobicContact CG-CD2 4.45Å; V12-L87 CarbonylContact C-O 3.51Å; V12-L87 WeakPolarHBondContact CA-O 3.32Å; V12-L87 HydrophobicContact CG1-CB 4.17Å; V12-L87 HydrophobicContact CG1-CD2 4.06Å; V12-L87 HydrophobicContact CG1-CG 4.08Å; V12-L87 HydrophobicContact CG2-CB 4.2Å; V12-L87 HydrophobicContact CG2-CD2 4.49Å; L13-L87 PolarHBondContact N-O 2.98Å; L87-I89 HydrophobicContact CD1-CG1 4.25Å; L87-I89 HydrophobicContact CD2-CD1 3.92Å; L87-I89 HydrophobicContact CD2-CG1 3.88Å; L87-I89 HydrophobicContact CG-CD1 4.45Å; L87-I89 HydrophobicContact CG-CG1 3.87Å; L87-R121 CarbonylContact C-O 3.55Å; L87-R121 VanDerWaalsContact CA-O 3.31Å; L87-R121 WeakPolarHBondContact CA-O 3.46Å; L87-R121 HydrophobicContact CD1-CB 4.02Å; L87-R121 WeakPolarHBondContact CD1-O 3.38Å; L87-I123 HydrophobicContact CD1-CB 4.35Å; L87-I123 HydrophobicContact CD1-CD1 3.74Å; L87-I123 HydrophobicContact CD1-CG1 3.76Å; L87-I123 HydrophobicContact CD2-CD1 4.31Å
88V97.9Very high92.1Very high0 Ų036.3 Ų36.30%020%0.196CC..EExtended strand (participates in β ladder)trans-113.4125.7166.2-179.10000108.4L13 I15 L85 V90 L113 T120 R121 I122 I123L13-V88 HydrophobicContact CB-CG2 4.24Å; L13-V88 HydrophobicContact CD2-CG1 4.41Å; L13-V88 HydrophobicContact CD2-CG2 4.45Å; L13-V88 CarbonylContact O-C 3.48Å; L13-V88 VanDerWaalsContact O-CA 3.31Å; L13-V88 WeakPolarHBondContact O-CA 3.45Å; I15-V88 HydrophobicContact CD1-CG1 4.1Å; I15-V88 HydrophobicContact CG1-CG1 4.46Å; L85-V88 HydrophobicContact CD2-CG2 3.21Å; V88-V90 HydrophobicContact CG1-CG2 4.08Å; V88-L113 HydrophobicContact CB-CD1 4.13Å; V88-L113 HydrophobicContact CG1-CD1 4.06Å; V88-L113 HydrophobicContact CG2-CD1 3.65Å; V88-L113 HydrophobicContact CG2-CD2 3.98Å; V88-L113 HydrophobicContact CG2-CG 4.48Å; V88-T120 HydrophobicContact CG2-CG2 3.76Å; V88-R121 PolarHBondContact N-O 3.42Å; V88-I122 CarbonylContact O-C 3.52Å; V88-I122 WeakPolarHBondContact O-CA 3.2Å; V88-I123 PolarHBondContact O-N 3.46Å
89I98.2Very high91.7Very high13 Ų1334.8 Ų34.87%0.06720%0.195CC..EExtended strand (participates in β ladder)trans-108.7128.4172.2-54.1176.1000107.5M1 V12 L13 F14 I15 L87 I123 M125M1-I89 HydrophobicContact CB-CD1 4.38Å; V12-I89 HydrophobicContact CG1-CD1 4.31Å; V12-I89 HydrophobicContact CG1-CG1 4.45Å; L13-I89 PolarHBondContact O-N 3.47Å; F14-I89 HydrophobicContact CD1-CB 4.11Å; F14-I89 HydrophobicContact CD1-CG2 4.08Å; F14-I89 HydrophobicContact CD2-CB 4.2Å; F14-I89 HydrophobicContact CD2-CD1 3.83Å; F14-I89 HydrophobicContact CD2-CG2 4.38Å; F14-I89 HydrophobicContact CE1-CB 4.28Å; F14-I89 HydrophobicContact CE1-CG2 3.73Å; F14-I89 HydrophobicContact CE2-CB 4.37Å; F14-I89 HydrophobicContact CE2-CD1 3.89Å; F14-I89 HydrophobicContact CE2-CG2 4.06Å; F14-I89 HydrophobicContact CG-CB 4.07Å; F14-I89 HydrophobicContact CG-CG2 4.39Å; F14-I89 HydrophobicContact CZ-CB 4.41Å; F14-I89 HydrophobicContact CZ-CG2 3.73Å; I15-I89 PolarHBondContact N-O 3Å; L87-I89 HydrophobicContact CD1-CG1 4.25Å; L87-I89 HydrophobicContact CD2-CD1 3.92Å; L87-I89 HydrophobicContact CD2-CG1 3.88Å; L87-I89 HydrophobicContact CG-CD1 4.45Å; L87-I89 HydrophobicContact CG-CG1 3.87Å; I89-I123 CarbonylContact C-O 3.24Å; I89-I123 VanDerWaalsContact CA-O 3.3Å; I89-I123 WeakPolarHBondContact CA-O 3.31Å; I89-I123 HydrophobicContact CG1-CB 4.44Å; I89-M125 HydrophobicContact CG2-CE 3.75Å
90V97.2Very high91.6Very high0 Ų032.9 Ų32.90%019%0.188CC..EExtended strand (participates in β ladder)trans-116.7113.5174.3-175.60000108.4I15 V88 L93 L106 L110 I123 G124 M125I15-V90 HydrophobicContact CB-CG2 4.37Å; I15-V90 HydrophobicContact CD1-CG2 4.23Å; V88-V90 HydrophobicContact CG1-CG2 4.08Å; V90-L93 HydrophobicContact CB-CD1 4.1Å; V90-L93 HydrophobicContact CG1-CD1 3.81Å; V90-L106 HydrophobicContact CG1-CD1 4.46Å; V90-L106 HydrophobicContact CG1-CD2 3.75Å; V90-L110 HydrophobicContact CG2-CD2 4.07Å; V90-I123 PolarHBondContact N-O 2.85Å; V90-G124 WeakPolarHBondContact O-CA 3.29Å; V90-M125 PolarHBondContact O-N 2.8Å
91D94.2Very high91.6Very high34 Ų3428 Ų2818%0.18217%0.174CC..SBendtrans-83.9151.1170.1-156.98.1000110.7F14 I15 L16 L93 M125F14-D91 HydrophobicContact CE1-CB 4.22Å; I15-D91 PolarHBondContact O-N 2.85Å; L16-D91 HydrophobicContact CD2-CB 3.78Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.36Å; D91-M125 HydrophobicContact CB-CE 3.98Å
92E89.6Confident91.7Very high48 Ų4828.9 Ų28.922%0.22417%0.174CC..SBendtrans50.549-175.4-53.1-66.8-166.300113.2P17 H94 M95 M125P17-E92 HydrophobicContact CG-CB 4.47Å; P17-E92 HydrophobicContact CG-CG 3.98Å; E92-H94 PolarHBondContact O-N 3.04Å; E92-H94 IonicContact OE2-CE1 2.58Å; E92-H94 PolarHBondContact OE2-CE1 2.91Å; E92-H94 IonicContact OE2-ND1 2.82Å; E92-H94 IonicContact OE2-NE2 3.75Å; E92-M95 HydrophobicContact CB-CG 4.02Å; E92-M95 HydrophobicContact CB-SD 4.3Å; E92-M95 VanDerWaalsContact O-CB 3.31Å; E92-M95 WeakPolarHBondContact O-CB 3.44Å; E92-M95 VanDerWaalsContact O-CG 3.26Å; E92-M95 WeakPolarHBondContact O-CG 3.22Å; E92-M95 PolarHBondContact O-N 3.25Å; E92-M125 WeakPolarHBondContact CA-O 3.48Å; E92-M125 PolarHBondContact N-O 3.39Å
93L92.3Very high91.8Very high15 Ų1528.5 Ų28.58%0.07917%0.172CC..G310 helixtrans-53.8-28.7-176.7-174.871.6000113.2V90 D91 M95 I96 L110 M125 L139V90-L93 HydrophobicContact CB-CD1 4.1Å; V90-L93 HydrophobicContact CG1-CD1 3.81Å; D91-L93 VanDerWaalsContact C-N 3.34Å; D91-L93 PolarHBondContact O-N 3.36Å; L93-M95 PolarHBondContact O-N 3.32Å; L93-I96 HydrophobicContact CD1-CD1 3.48Å; L93-I96 VanDerWaalsContact CD1-CD1 3.48Å; L93-I96 HydrophobicContact CD1-CG1 4.41Å; L93-I96 HydrophobicContact CG-CD1 3.99Å; L93-I96 WeakPolarHBondContact O-CG1 3.34Å; L93-I96 PolarHBondContact O-N 3.24Å; L93-I96 VanDerWaalsContact O-N 3.12Å; L93-L110 HydrophobicContact CD1-CD1 3.71Å; L93-M125 PolarHBondContact N-O 3.18Å; L93-L139 HydrophobicContact CD2-CD1 4.19Å
94H86.6Confident92Very high7 Ų724.1 Ų24.13%0.03215%0.148CC..G310 helixtrans-57.2-18.9174.361.6-97.6000114.5E92 I96 G97 S126 L129 Q388E92-H94 PolarHBondContact O-N 3.04Å; E92-H94 IonicContact OE2-CE1 2.58Å; E92-H94 PolarHBondContact OE2-CE1 2.91Å; E92-H94 IonicContact OE2-ND1 2.82Å; E92-H94 IonicContact OE2-NE2 3.75Å; H94-I96 PolarHBondContact O-N 2.88Å; H94-G97 WeakPolarHBondContact O-CA 3.44Å; H94-G97 PolarHBondContact O-N 3.36Å; H94-S126 VanDerWaalsContact CB-OG 3.24Å; H94-S126 WeakPolarHBondContact CB-OG 3.33Å; H94-S126 PolarHBondContact N-OG 3.32Å; H94-S126 PolarHBondContact ND1-OG 2.92Å; H94-L129 HydrophobicContact CB-CD1 3.79Å; H94-L129 HydrophobicContact CB-CD2 3.74Å; H94-L129 HydrophobicContact CB-CG 4.06Å; H94-Q388 PolarHBondContact NE2-NE2 3.45Å
95M88.2Confident92.3Very high23 Ų2322.2 Ų22.211%0.11314%0.135CC..G310 helixtrans-59.2-16.6174.9-70.6-161.575.900113.4P17 I66 E92 L93 G97 D98 G103 L106P17-M95 HydrophobicContact CB-SD 3.54Å; P17-M95 VanDerWaalsContact CB-SD 3.54Å; I66-M95 HydrophobicContact CD1-CE 4.48Å; I66-M95 HydrophobicContact CD1-SD 4.16Å; E92-M95 HydrophobicContact CB-CG 4.02Å; E92-M95 HydrophobicContact CB-SD 4.3Å; E92-M95 VanDerWaalsContact O-CB 3.31Å; E92-M95 WeakPolarHBondContact O-CB 3.44Å; E92-M95 VanDerWaalsContact O-CG 3.26Å; E92-M95 WeakPolarHBondContact O-CG 3.22Å; E92-M95 PolarHBondContact O-N 3.25Å; L93-M95 PolarHBondContact O-N 3.32Å; M95-G97 PolarHBondContact O-N 2.93Å; M95-D98 PolarHBondContact O-N 3.49Å; M95-G103 VanDerWaalsContact O-CA 3.24Å; M95-G103 WeakPolarHBondContact O-CA 3.22Å; M95-L106 HydrophobicContact CB-CD1 3.91Å
96I92.2Very high92.4Very high3 Ų322.2 Ų22.22%0.01514%0.135CC..G310 helixtrans-55.1-32.9166.6-67.9171000111.2L93 H94 L106 E107 L110 L135 S442 L478L93-I96 HydrophobicContact CD1-CD1 3.48Å; L93-I96 VanDerWaalsContact CD1-CD1 3.48Å; L93-I96 HydrophobicContact CD1-CG1 4.41Å; L93-I96 HydrophobicContact CG-CD1 3.99Å; L93-I96 WeakPolarHBondContact O-CG1 3.34Å; L93-I96 PolarHBondContact O-N 3.24Å; L93-I96 VanDerWaalsContact O-N 3.12Å; H94-I96 PolarHBondContact O-N 2.88Å; I96-L106 HydrophobicContact CD1-CB 4.38Å; I96-L106 HydrophobicContact CG1-CB 3.62Å; I96-L106 HydrophobicContact CG1-CD1 4.07Å; I96-E107 HydrophobicContact CG2-CB 4.35Å; I96-L110 HydrophobicContact CD1-CD1 3.53Å; I96-L135 HydrophobicContact CD1-CD2 4.26Å; I96-S442 WeakPolarHBondContact O-CB 3.29Å; I96-S442 PolarHBondContact O-OG 3.46Å; I96-L478 HydrophobicContact CG2-CD2 3.58Å
97G87.7Confident92.5Very high16 Ų1622.3 Ų22.317%0.16514%0.135CC..G310 helixtrans-84.9-13.5-178.900000116H94 M95 G99 C439 S440H94-G97 WeakPolarHBondContact O-CA 3.44Å; H94-G97 PolarHBondContact O-N 3.36Å; M95-G97 PolarHBondContact O-N 2.93Å; G97-G99 PolarHBondContact O-N 3.48Å; G97-C439 VanDerWaalsContact CA-SG 3.6Å; G97-C439 PolarHBondContact N-SG 3Å; G97-C439 VanDerWaalsContact N-SG 3.44Å; G97-S440 WeakPolarHBondContact CA-O 3.4Å
98D82.1Confident92.5Very high96 Ų9622.4 Ų22.451%0.51314%0.135SC..SBendtrans-75.6-5.9-172.2-76.7-12.6000113.6M95M95-D98 PolarHBondContact O-N 3.49Å
99G84Confident92.5Very high34 Ų3422.4 Ų22.435%0.35114%0.135SC..  trans78.7176.1-176.100000113.6G97 S442G97-G99 PolarHBondContact O-N 3.48Å; G99-S442 WeakPolarHBondContact CA-OG 3.37Å; G99-S442 PolarHBondContact N-OG 3.24Å
100G90.5Very high92.4Very high21 Ų2122 Ų2222%0.21613%0.133CC..Hα-helixtrans71.6-168.6174.400000114.7R102 A104G100-R102 VanDerWaalsContact C-N 3.34Å; G100-R102 PolarHBondContact O-N 2.99Å; G100-A104 WeakPolarHBondContact O-CB 3.4Å; G100-A104 PolarHBondContact O-N 3.26Å
101P92.4Very high92.4Very high76 Ų7622.1 Ų22.149%0.49413%0.134SC..Hα-helixtrans-67.8-30.4-168.925.2-34.5000113.5C105 Y445P101-C105 WeakPolarHBondContact O-CB 3.48Å; P101-C105 PolarHBondContact O-N 2.93Å; P101-C105 PolarHBondContact O-SG 3.28Å; P101-Y445 HydrophobicContact CB-CE2 4.28Å
102R92.8Very high92.5Very high57 Ų5720.5 Ų20.522%0.21513%0.126CC..Hα-helixtrans-73.8-44.9-177.3-74.4172.955.1114.1-6.2112.3P17 I66 E67 G100 A104 C105 L106P17-R102 VanDerWaalsContact C-NH2 3.3Å; P17-R102 VanDerWaalsContact O-CZ 3.22Å; P17-R102 PolarHBondContact O-NH1 3.2Å; P17-R102 PolarHBondContact O-NH2 3.14Å; I66-R102 HydrophobicContact CD1-CB 4.23Å; I66-R102 WeakPolarHBondContact CG2-O 3.39Å; E67-R102 WeakPolarHBondContact OE1-CD 3.48Å; E67-R102 WeakPolarHBondContact OE1-CG 3.35Å; E67-R102 IonicContact OE1-CZ 2.76Å; E67-R102 IonicContact OE1-NE 3.34Å; E67-R102 IonicContact OE1-NH1 2.82Å; E67-R102 PolarHBondContact OE1-NH1 2.78Å; E67-R102 IonicContact OE2-NH1 2.85Å; G100-R102 VanDerWaalsContact C-N 3.34Å; G100-R102 PolarHBondContact O-N 2.99Å; R102-A104 VanDerWaalsContact C-N 3.31Å; R102-A104 PolarHBondContact O-N 3.3Å; R102-C105 PolarHBondContact O-N 3.14Å; R102-L106 PolarHBondContact O-N 2.73Å; R102-L106 VanDerWaalsContact O-N 3.08Å
103G94.3Very high92.8Very high1 Ų118.3 Ų18.31%0.0112%0.115CC..Hα-helixtrans-62.3-41.5173.700000111.4M95 L106 E107M95-G103 VanDerWaalsContact O-CA 3.24Å; M95-G103 WeakPolarHBondContact O-CA 3.22Å; G103-L106 PolarHBondContact O-N 3Å; G103-E107 PolarHBondContact O-N 2.91Å; G103-E107 VanDerWaalsContact O-N 3.08Å
104A96.1Very high92.9Very high1 Ų121.8 Ų21.81%0.00813%0.127CC..Hα-helixtrans-61.9-45.9175.800000111.9G100 R102 L106 E107 M108 L443 Y445G100-A104 WeakPolarHBondContact O-CB 3.4Å; G100-A104 PolarHBondContact O-N 3.26Å; R102-A104 VanDerWaalsContact C-N 3.31Å; R102-A104 PolarHBondContact O-N 3.3Å; A104-L106 PolarHBondContact O-N 2.95Å; A104-E107 PolarHBondContact O-N 3.4Å; A104-M108 WeakPolarHBondContact O-CB 3.33Å; A104-M108 WeakPolarHBondContact O-CG 3.32Å; A104-M108 PolarHBondContact O-N 3.28Å; A104-L443 HydrophobicContact CB-CD2 4.12Å; A104-Y445 HydrophobicContact CB-CD1 3.83Å; A104-Y445 HydrophobicContact CB-CE1 3.51Å
105C95.7Very high93.2Very high19 Ų1923.3 Ų23.313%0.12814%0.136CC..Hα-helixtrans-57.5-44.8175.8-81.80000112.6I66 H70 P101 R102 M108 I109I66-C105 HydrophobicContact CG2-CB 3.69Å; H70-C105 HydrophobicContact CB-CB 4.46Å; P101-C105 WeakPolarHBondContact O-CB 3.48Å; P101-C105 PolarHBondContact O-N 2.93Å; P101-C105 PolarHBondContact O-SG 3.28Å; R102-C105 PolarHBondContact O-N 3.14Å; C105-M108 PolarHBondContact O-N 2.99Å; C105-I109 WeakPolarHBondContact O-CB 3.22Å; C105-I109 WeakPolarHBondContact O-CD1 3.42Å; C105-I109 WeakPolarHBondContact O-CG1 3.45Å; C105-I109 PolarHBondContact O-N 3.49Å
106L96.7Very high93.4Very high0 Ų024 Ų240%014%0.143CC..Hα-helixtrans-60.9-46.9177-79.5178.3000111.7I15 I66 V90 M95 I96 R102 G103 A104 M108 I109 L110I15-L106 HydrophobicContact CG2-CD2 3.95Å; I66-L106 HydrophobicContact CB-CD2 4.48Å; I66-L106 HydrophobicContact CD1-CD1 3.78Å; I66-L106 HydrophobicContact CD1-CD2 4.34Å; I66-L106 HydrophobicContact CD1-CG 3.94Å; I66-L106 HydrophobicContact CG1-CD1 4.33Å; I66-L106 HydrophobicContact CG1-CD2 3.97Å; I66-L106 HydrophobicContact CG1-CG 4.07Å; I66-L106 HydrophobicContact CG2-CD2 3.97Å; I66-L106 HydrophobicContact CG2-CG 3.74Å; V90-L106 HydrophobicContact CG1-CD1 4.46Å; V90-L106 HydrophobicContact CG1-CD2 3.75Å; M95-L106 HydrophobicContact CB-CD1 3.91Å; I96-L106 HydrophobicContact CD1-CB 4.38Å; I96-L106 HydrophobicContact CG1-CB 3.62Å; I96-L106 HydrophobicContact CG1-CD1 4.07Å; R102-L106 PolarHBondContact O-N 2.73Å; R102-L106 VanDerWaalsContact O-N 3.08Å; G103-L106 PolarHBondContact O-N 3Å; A104-L106 PolarHBondContact O-N 2.95Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-M108 PolarHBondContact O-N 3.3Å; L106-I109 PolarHBondContact O-N 3.13Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 2.76Å
107E97.4Very high93.3Very high4 Ų423.9 Ų23.92%0.01914%0.142CC..Hα-helixtrans-60.2-43177.8-172.3171.9164.200111.8I96 G103 A104 T111 S441 S442 L443 T477 L478 L479I96-E107 HydrophobicContact CG2-CB 4.35Å; G103-E107 PolarHBondContact O-N 2.91Å; G103-E107 VanDerWaalsContact O-N 3.08Å; A104-E107 PolarHBondContact O-N 3.4Å; E107-T111 WeakPolarHBondContact O-CB 3.15Å; E107-T111 PolarHBondContact O-N 2.86Å; E107-T111 PolarHBondContact O-OG1 2.87Å; E107-S441 PolarHBondContact OE1-OG 3.21Å; E107-S441 WeakPolarHBondContact OE2-CA 3.35Å; E107-S441 WeakPolarHBondContact OE2-CB 3.39Å; E107-S441 PolarHBondContact OE2-OG 3.42Å; E107-S442 PolarHBondContact OE2-N 3.45Å; E107-L443 HydrophobicContact CG-CD1 4.16Å; E107-L443 HydrophobicContact CG-CG 4.22Å; E107-L443 WeakPolarHBondContact OE1-CD1 3.41Å; E107-T477 WeakPolarHBondContact OE1-CB 3.29Å; E107-L478 HydrophobicContact CG-CB 4.16Å; E107-L478 WeakPolarHBondContact OE1-CA 3.49Å; E107-L478 WeakPolarHBondContact OE1-CB 3.43Å; E107-L478 PolarHBondContact OE1-N 3.48Å; E107-L479 PolarHBondContact OE1-N 2.76Å
108M97.2Very high93.1Very high2 Ų228.7 Ų28.71%0.0117%0.171CC..Hα-helixtrans-63-43.7175.8-68.5168.565.500112.5H70 A104 C105 L106 K112 L443 Q453 F454H70-M108 VanDerWaalsContact NE2-CE 3.28Å; H70-M108 WeakPolarHBondContact NE2-CE 3.21Å; A104-M108 WeakPolarHBondContact O-CB 3.33Å; A104-M108 WeakPolarHBondContact O-CG 3.32Å; A104-M108 PolarHBondContact O-N 3.28Å; C105-M108 PolarHBondContact O-N 2.99Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-M108 PolarHBondContact O-N 3.3Å; M108-K112 WeakPolarHBondContact O-CB 3.43Å; M108-K112 WeakPolarHBondContact O-CE 3.39Å; M108-K112 WeakPolarHBondContact O-CG 3.27Å; M108-K112 PolarHBondContact O-N 3.06Å; M108-L443 HydrophobicContact CG-CD2 3.91Å; M108-Q453 HydrophobicContact CE-CB 4.29Å; M108-Q453 HydrophobicContact CE-CG 3.88Å; M108-Q453 HydrophobicContact SD-CB 4.48Å; M108-Q453 HydrophobicContact SD-CG 4.47Å; M108-F454 HydrophobicContact CB-CD2 4.13Å; M108-F454 HydrophobicContact CE-CB 4.46Å; M108-F454 HydrophobicContact CG-CB 3.94Å; M108-F454 HydrophobicContact CG-CD2 3.81Å; M108-F454 HydrophobicContact CG-CG 4.27Å; M108-F454 HydrophobicContact SD-CB 4.46Å
109I97.1Very high93.4Very high0 Ų028.1 Ų28.10%017%0.17CC..Hα-helixtrans-58.1-55177.6-73.6164.8000109.9I15 H70 V73 C105 L106 T111 K112 L113I15-I109 HydrophobicContact CD1-CD1 3.89Å; I15-I109 HydrophobicContact CD1-CG2 3.93Å; H70-I109 HydrophobicContact CB-CD1 3.81Å; H70-I109 HydrophobicContact CB-CG1 3.89Å; H70-I109 VanDerWaalsContact N-CD1 3.33Å; V73-I109 HydrophobicContact CG2-CG2 4.15Å; C105-I109 WeakPolarHBondContact O-CB 3.22Å; C105-I109 WeakPolarHBondContact O-CD1 3.42Å; C105-I109 WeakPolarHBondContact O-CG1 3.45Å; C105-I109 PolarHBondContact O-N 3.49Å; L106-I109 PolarHBondContact O-N 3.13Å; I109-T111 VanDerWaalsContact C-N 3.34Å; I109-T111 PolarHBondContact O-N 3.17Å; I109-K112 PolarHBondContact O-N 3.47Å; I109-L113 HydrophobicContact CG2-CD1 3.61Å; I109-L113 HydrophobicContact CG2-CG 4.38Å; I109-L113 WeakPolarHBondContact O-CD1 3.4Å; I109-L113 VanDerWaalsContact O-CG 3.27Å; I109-L113 WeakPolarHBondContact O-CG 3.2Å; I109-L113 PolarHBondContact O-N 3.09Å
110L96.9Very high93.9Very high4 Ų427 Ų272%0.02116%0.157CC..Hα-helixtrans-62.6-43.7-175.2-67.5171.9000111.3V90 L93 I96 L106 L113 R114 I122 L139V90-L110 HydrophobicContact CG2-CD2 4.07Å; L93-L110 HydrophobicContact CD1-CD1 3.71Å; I96-L110 HydrophobicContact CD1-CD1 3.53Å; L106-L110 WeakPolarHBondContact O-CG 3.32Å; L106-L110 PolarHBondContact O-N 2.76Å; L110-L113 PolarHBondContact O-N 3.33Å; L110-R114 WeakPolarHBondContact O-CG 2.94Å; L110-R114 PolarHBondContact O-N 3.1Å; L110-R114 VanDerWaalsContact O-N 3.13Å; L110-I122 HydrophobicContact CD2-CD1 4.12Å; L110-I122 HydrophobicContact CD2-CG2 3.72Å; L110-L139 HydrophobicContact CB-CD2 3.97Å; L110-L139 HydrophobicContact CD1-CD2 4.17Å; L110-L139 HydrophobicContact CG-CD2 4.48Å
111T96.7Very high94.1Very high4 Ų431.4 Ų31.43%0.02517%0.167CC..Hα-helixtrans-62.3-47.9177.7-510000110.8E107 I109 L113 R114 L115 F454 K476 T477E107-T111 WeakPolarHBondContact O-CB 3.15Å; E107-T111 PolarHBondContact O-N 2.86Å; E107-T111 PolarHBondContact O-OG1 2.87Å; I109-T111 VanDerWaalsContact C-N 3.34Å; I109-T111 PolarHBondContact O-N 3.17Å; T111-L113 PolarHBondContact O-N 3.25Å; T111-R114 WeakPolarHBondContact O-CB 3.48Å; T111-R114 PolarHBondContact O-N 3.38Å; T111-L115 HydrophobicContact CG2-CD1 4.02Å; T111-L115 HydrophobicContact CG2-CG 4.36Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.38Å; T111-L115 PolarHBondContact O-N 2.95Å; T111-F454 HydrophobicContact CG2-CE2 4.03Å; T111-F454 HydrophobicContact CG2-CZ 3.58Å; T111-K476 HydrophobicContact CG2-CB 4.09Å; T111-T477 HydrophobicContact CG2-CG2 3.88Å
112K96.5Very high94.3Very high0 Ų030.4 Ų30.40%016%0.157CC..Hα-helixtrans-63.6-37.9179.3-76.9-177.1-69.6-166.20113.7H70 V73 N74 I77 M108 I109 R114 L115 S116 F454 S457 L461 L463H70-K112 PolarHBondContact CD2-NZ 2.89Å; H70-K112 PolarHBondContact NE2-NZ 3.41Å; V73-K112 HydrophobicContact CG1-CB 4.45Å; N74-K112 PolarHBondContact OD1-NZ 2.95Å; I77-K112 HydrophobicContact CD1-CB 4.01Å; I77-K112 HydrophobicContact CD1-CD 4.3Å; M108-K112 WeakPolarHBondContact O-CB 3.43Å; M108-K112 WeakPolarHBondContact O-CE 3.39Å; M108-K112 WeakPolarHBondContact O-CG 3.27Å; M108-K112 PolarHBondContact O-N 3.06Å; I109-K112 PolarHBondContact O-N 3.47Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-R114 PolarHBondContact O-N 2.97Å; K112-L115 PolarHBondContact O-N 2.94Å; K112-S116 VanDerWaalsContact O-CB 3.23Å; K112-S116 WeakPolarHBondContact O-CB 3.41Å; K112-S116 PolarHBondContact O-N 3.1Å; K112-S116 PolarHBondContact O-OG 2.58Å; K112-F454 HydrophobicContact CG-CE2 4.15Å; K112-S457 PolarHBondContact NZ-OG 2.78Å; K112-L461 HydrophobicContact CD-CD1 4.01Å; K112-L463 HydrophobicContact CB-CD1 4.4Å; K112-L463 HydrophobicContact CD-CD1 4.15Å; K112-L463 HydrophobicContact CG-CD1 3.88Å
113L95.8Very high94.5Very high1 Ų131.4 Ų31.41%0.00517%0.166CC..Hα-helixtrans-58.8-46.4174.3-73.5163000110.8V73 L82 V88 I109 L110 T111 L115 S116 S117 T120 I122V73-L113 HydrophobicContact CG1-CD2 4.36Å; V73-L113 HydrophobicContact CG1-CG 4.38Å; V73-L113 HydrophobicContact CG2-CD2 4.21Å; V73-L113 HydrophobicContact CG2-CG 4.47Å; L82-L113 HydrophobicContact CD1-CD2 3.98Å; L82-L113 HydrophobicContact CD2-CD2 4.34Å; V88-L113 HydrophobicContact CB-CD1 4.13Å; V88-L113 HydrophobicContact CG1-CD1 4.06Å; V88-L113 HydrophobicContact CG2-CD1 3.65Å; V88-L113 HydrophobicContact CG2-CD2 3.98Å; V88-L113 HydrophobicContact CG2-CG 4.48Å; I109-L113 HydrophobicContact CG2-CD1 3.61Å; I109-L113 HydrophobicContact CG2-CG 4.38Å; I109-L113 WeakPolarHBondContact O-CD1 3.4Å; I109-L113 VanDerWaalsContact O-CG 3.27Å; I109-L113 WeakPolarHBondContact O-CG 3.2Å; I109-L113 PolarHBondContact O-N 3.09Å; L110-L113 PolarHBondContact O-N 3.33Å; T111-L113 PolarHBondContact O-N 3.25Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 2.85Å; L113-S116 PolarHBondContact O-N 3.36Å; L113-S117 CarbonylContact O-C 3.58Å; L113-S117 PolarHBondContact O-N 3.27Å; L113-T120 HydrophobicContact CD2-CG2 4.34Å; L113-I122 HydrophobicContact CB-CD1 4.2Å; L113-I122 HydrophobicContact CD1-CD1 4.4Å
114R93.5Very high94.5Very high88 Ų8833.3 Ų33.333%0.33219%0.185SC..Hα-helixtrans-62.5-39.5176.8-69.4-166.269.9-171.15.8113L110 T111 K112 I122 C138 S140L110-R114 WeakPolarHBondContact O-CG 2.94Å; L110-R114 PolarHBondContact O-N 3.1Å; L110-R114 VanDerWaalsContact O-N 3.13Å; T111-R114 WeakPolarHBondContact O-CB 3.48Å; T111-R114 PolarHBondContact O-N 3.38Å; K112-R114 VanDerWaalsContact C-N 3.32Å; K112-R114 PolarHBondContact O-N 2.97Å; R114-I122 HydrophobicContact CG-CD1 4.34Å; R114-C138 VanDerWaalsContact NH1-C 3.33Å; R114-C138 PolarHBondContact NH1-O 2.8Å; R114-S140 PolarHBondContact NH2-OG 3.13Å
115L93.9Very high94.3Very high40 Ų4036.7 Ų36.721%0.20920%0.202CC..Hα-helixtrans-71.8-37.2179.8-65.5174.7000112.4T111 K112 L113 F454 L458 W472 K476T111-L115 HydrophobicContact CG2-CD1 4.02Å; T111-L115 HydrophobicContact CG2-CG 4.36Å; T111-L115 VanDerWaalsContact O-CG 3.28Å; T111-L115 WeakPolarHBondContact O-CG 3.38Å; T111-L115 PolarHBondContact O-N 2.95Å; K112-L115 PolarHBondContact O-N 2.94Å; L113-L115 VanDerWaalsContact C-N 3.34Å; L113-L115 PolarHBondContact O-N 2.85Å; L115-F454 HydrophobicContact CD1-CZ 4.4Å; L115-L458 HydrophobicContact CD1-CD2 3.85Å; L115-W472 HydrophobicContact CD2-CE3 4.23Å; L115-W472 HydrophobicContact CD2-CH2 3.76Å; L115-W472 HydrophobicContact CD2-CZ3 3.4Å; L115-W472 VanDerWaalsContact CD2-CZ3 3.4Å; L115-K476 HydrophobicContact CD2-CB 4.45Å; L115-K476 HydrophobicContact CD2-CG 4.06Å
116S92.6Very high93.9Very high37 Ų3738.2 Ų38.226%0.25921%0.213SC..Hα-helixtrans-103.3-31.9-165.6-43.90000114.3K112 L113 L463K112-S116 VanDerWaalsContact O-CB 3.23Å; K112-S116 WeakPolarHBondContact O-CB 3.41Å; K112-S116 PolarHBondContact O-N 3.1Å; K112-S116 PolarHBondContact O-OG 2.58Å; L113-S116 PolarHBondContact O-N 3.36Å; S116-L463 WeakPolarHBondContact OG-CD2 3.1Å
117S89.9Confident92.9Very high1 Ų140.4 Ų40.41%0.00723%0.231CC..  trans-142.189.2176.2-1680000111.4D83 L113 T119 T120D83-S117 WeakPolarHBondContact OD1-CB 3.41Å; D83-S117 PolarHBondContact OD1-OG 3.35Å; L113-S117 CarbonylContact O-C 3.58Å; L113-S117 PolarHBondContact O-N 3.27Å; S117-T119 PolarHBondContact O-N 3.29Å; S117-T119 PolarHBondContact OG-OG1 2.97Å; S117-T119 VanDerWaalsContact OG-OG1 3.12Å; S117-T120 PolarHBondContact O-N 2.86Å; S117-T120 VanDerWaalsContact O-N 3.13Å; S117-T120 PolarHBondContact OG-OG1 2.9Å
118P83.7Confident91.6Very high117 Ų11744.4 Ų44.476%0.7626%0.256SS*.THydrogen-bonded Turntrans-60.5-14.1172.6-2334000113.8
119T88.9Confident90.5Very high83 Ų8345 Ų4551%0.50926%0.259SS..THydrogen-bonded Turntrans-81.3-21.8178.7750000113.1S117 R121S117-T119 PolarHBondContact O-N 3.29Å; S117-T119 PolarHBondContact OG-OG1 2.97Å; S117-T119 VanDerWaalsContact OG-OG1 3.12Å; T119-R121 PolarHBondContact O-N 2.88Å
120T93.8Very high89.3Confident12 Ų1246.9 Ų46.97%0.07427%0.271CS..SBendtrans-74.7120.8178.7-58.50000109.9L85 V88 L113 S117L85-T120 HydrophobicContact CD2-CG2 3.98Å; L85-T120 WeakPolarHBondContact O-CG2 3.37Å; L85-T120 PolarHBondContact O-OG1 3.48Å; V88-T120 HydrophobicContact CG2-CG2 3.76Å; L113-T120 HydrophobicContact CD2-CG2 4.34Å; S117-T120 PolarHBondContact O-N 2.86Å; S117-T120 VanDerWaalsContact O-N 3.13Å; S117-T120 PolarHBondContact OG-OG1 2.9Å
121R95.3Very high88.6Confident112 Ų11247 Ų4742%0.42327%0.272SS..EExtended strand (participates in β ladder)trans-76.8146.7176.6-61.9-168-75.5148.6-6.8110.3E4 G86 L87 V88 T119E4-R121 IonicContact OE1-CZ 2.72Å; E4-R121 IonicContact OE1-NE 3.57Å; E4-R121 PolarHBondContact OE1-NE 2.95Å; E4-R121 IonicContact OE1-NH2 3.87Å; E4-R121 PolarHBondContact OE1-NH2 3.17Å; G86-R121 PolarHBondContact O-N 3.36Å; L87-R121 CarbonylContact C-O 3.55Å; L87-R121 VanDerWaalsContact CA-O 3.31Å; L87-R121 WeakPolarHBondContact CA-O 3.46Å; L87-R121 HydrophobicContact CD1-CB 4.02Å; L87-R121 WeakPolarHBondContact CD1-O 3.38Å; V88-R121 PolarHBondContact N-O 3.42Å; T119-R121 PolarHBondContact O-N 2.88Å
122I95.9Very high88Confident56 Ų5649.2 Ų49.229%0.28728%0.283SS..EExtended strand (participates in β ladder)trans-121.1129.6177.6-58.2175.5000108.6V88 L110 L113 R114V88-I122 CarbonylContact O-C 3.52Å; V88-I122 WeakPolarHBondContact O-CA 3.2Å; L110-I122 HydrophobicContact CD2-CD1 4.12Å; L110-I122 HydrophobicContact CD2-CG2 3.72Å; L113-I122 HydrophobicContact CB-CD1 4.2Å; L113-I122 HydrophobicContact CD1-CD1 4.4Å; R114-I122 HydrophobicContact CG-CD1 4.34Å
123I96.5Very high87.6Confident77 Ų7752.2 Ų52.240%0.39530%0.304SS..EExtended strand (participates in β ladder)trans-119.6116.2170.1-65.2174.4000107.6L87 V88 I89 V90 M125L87-I123 HydrophobicContact CD1-CB 4.35Å; L87-I123 HydrophobicContact CD1-CD1 3.74Å; L87-I123 HydrophobicContact CD1-CG1 3.76Å; L87-I123 HydrophobicContact CD2-CD1 4.31Å; V88-I123 PolarHBondContact O-N 3.46Å; I89-I123 CarbonylContact C-O 3.24Å; I89-I123 VanDerWaalsContact CA-O 3.3Å; I89-I123 WeakPolarHBondContact CA-O 3.31Å; I89-I123 HydrophobicContact CG1-CB 4.44Å; V90-I123 PolarHBondContact N-O 2.85Å; I123-M125 HydrophobicContact CG2-CG 4.33Å
124G94.9Very high87.4Confident41 Ų4152.3 Ų52.342%0.42331%0.305SS..EExtended strand (participates in β ladder)trans-103.1130.1172.100000111V90V90-G124 WeakPolarHBondContact O-CA 3.29Å
125M92.3Very high87.3Confident73 Ų7348.4 Ų48.436%0.3629%0.29SS..  trans-114.1135.6174.1-58.3177.7-57.600108.6F14 I89 V90 D91 E92 L93 I123F14-M125 HydrophobicContact CE1-CE 4.17Å; F14-M125 HydrophobicContact CZ-CE 3.92Å; I89-M125 HydrophobicContact CG2-CE 3.75Å; V90-M125 PolarHBondContact O-N 2.8Å; D91-M125 HydrophobicContact CB-CE 3.98Å; E92-M125 WeakPolarHBondContact CA-O 3.48Å; E92-M125 PolarHBondContact N-O 3.39Å; L93-M125 PolarHBondContact N-O 3.18Å; I123-M125 HydrophobicContact CG2-CG 4.33Å
126S86.8Confident87.1Confident51 Ų5148.2 Ų48.236%0.35729%0.291SS..  trans-161.8159.6-179179.30000111.7H94H94-S126 VanDerWaalsContact CB-OG 3.24Å; H94-S126 WeakPolarHBondContact CB-OG 3.33Å; H94-S126 PolarHBondContact N-OG 3.32Å; H94-S126 PolarHBondContact ND1-OG 2.92Å
127A75.4Confident87.1Confident45 Ų4549.5 Ų49.537%0.37230%0.295SS..SBendtrans-60.2163.316000000112.4L129A127-L129 PolarHBondContact O-N 3.25Å
128T69.5Low87.2Confident88 Ų8849.8 Ų49.854%0.5430%0.297SS..  trans-61.6128179.4-490000111.4
129L74.8Confident87.6Confident14 Ų1445.7 Ų45.77%0.07327%0.268CS..  trans-118.5140.7179.6-70.6172.7000111.1H94 A127 N131 I132 L135 C439H94-L129 HydrophobicContact CB-CD1 3.79Å; H94-L129 HydrophobicContact CB-CD2 3.74Å; H94-L129 HydrophobicContact CB-CG 4.06Å; A127-L129 PolarHBondContact O-N 3.25Å; L129-N131 PolarHBondContact O-N 3.09Å; L129-I132 HydrophobicContact CB-CD1 4.3Å; L129-I132 HydrophobicContact CD1-CD1 4.33Å; L129-L135 HydrophobicContact CD1-CD1 3.63Å; L129-C439 HydrophobicContact CD1-CB 3.92Å; L129-C439 HydrophobicContact CD2-CB 4.34Å
130P71.9Confident87.7Confident40 Ų4045.9 Ų45.926%0.2627%0.273SS..THydrogen-bonded Turntrans-69.7-31.7-178.126.4-33.5000113.7G437P130-G437 VanDerWaalsContact CD-O 3.3Å; P130-G437 WeakPolarHBondContact CD-O 3.33Å; P130-G437 VanDerWaalsContact CG-O 3.3Å; P130-G437 WeakPolarHBondContact CG-O 3.47Å
131N81.9Confident87.5Confident7 Ų747.7 Ų47.74%0.03729%0.289CS..THydrogen-bonded Turntrans-111.239.6179.770.3-43.4000112.3L129 S133 D134 R438 C439L129-N131 PolarHBondContact O-N 3.09Å; N131-S133 PolarHBondContact O-N 2.98Å; N131-D134 PolarHBondContact ND2-OD2 3.37Å; N131-D134 PolarHBondContact O-N 3.13Å; N131-R438 WeakPolarHBondContact OD1-CA 3.41Å; N131-C439 PolarHBondContact ND2-O 3.25Å; N131-C439 PolarHBondContact OD1-N 2.73Å
132I85Confident87.5Confident50 Ų5049.5 Ų49.526%0.25630%0.302SS..Hα-helixtrans-54-27.7177.1-16477.6000112.3L129 D134 L135 T136 L143L129-I132 HydrophobicContact CB-CD1 4.3Å; L129-I132 HydrophobicContact CD1-CD1 4.33Å; I132-D134 VanDerWaalsContact C-N 3.27Å; I132-D134 PolarHBondContact O-N 2.59Å; I132-L135 HydrophobicContact CD1-CD1 4.46Å; I132-L135 PolarHBondContact O-N 2.99Å; I132-T136 HydrophobicContact CG1-CG2 4.42Å; I132-T136 WeakPolarHBondContact O-CG2 3.37Å; I132-T136 PolarHBondContact O-N 3.34Å; I132-T136 PolarHBondContact O-OG1 3.1Å; I132-L143 HydrophobicContact CD1-CD1 4.23Å; I132-L143 HydrophobicContact CG1-CD1 3.67Å; I132-L143 HydrophobicContact CG1-CD2 4.08Å; I132-L143 HydrophobicContact CG2-CD2 3.82Å
133S87.9Confident87.2Confident64 Ų6451.3 Ų51.345%0.44831%0.312SS..Hα-helixtrans-54.2-41175.8520000113.1N131 L135 T136 D137N131-S133 PolarHBondContact O-N 2.98Å; S133-L135 VanDerWaalsContact C-N 3.33Å; S133-L135 PolarHBondContact O-N 3.04Å; S133-T136 VanDerWaalsContact CA-OG1 3.22Å; S133-T136 WeakPolarHBondContact CA-OG1 3.39Å; S133-T136 PolarHBondContact O-N 2.81Å; S133-T136 PolarHBondContact O-OG1 3.3Å; S133-D137 WeakPolarHBondContact O-CB 3.32Å; S133-D137 PolarHBondContact O-N 3.06Å
134D91.4Very high86.9Confident3 Ų356.6 Ų56.62%0.01633%0.328CS..Hα-helixtrans-65.3-42-178.1-57.51.5000110.1N131 I132 C138 L478 Q482 Y486N131-D134 PolarHBondContact ND2-OD2 3.37Å; N131-D134 PolarHBondContact O-N 3.13Å; I132-D134 VanDerWaalsContact C-N 3.27Å; I132-D134 PolarHBondContact O-N 2.59Å; D134-C138 WeakPolarHBondContact O-CB 3.34Å; D134-C138 PolarHBondContact O-N 3.48Å; D134-L478 HydrophobicContact CB-CD1 3.96Å; D134-Q482 HydrophobicContact CB-CG 4.41Å; D134-Q482 PolarHBondContact OD2-NE2 2.71Å; D134-Y486 PolarHBondContact OD1-OH 2.95Å; D134-Y486 WeakPolarHBondContact OD2-CE2 3.44Å; D134-Y486 PolarHBondContact OD2-OH 3.05Å
135L90.4Very high86.4Confident5 Ų559.4 Ų59.43%0.02634%0.337CS..Hα-helixtrans-68.1-41.5175.8-72.1172.9000111.4I96 L129 I132 S133 D137 C138 L139 C439 L478I96-L135 HydrophobicContact CD1-CD2 4.26Å; L129-L135 HydrophobicContact CD1-CD1 3.63Å; I132-L135 HydrophobicContact CD1-CD1 4.46Å; I132-L135 PolarHBondContact O-N 2.99Å; S133-L135 VanDerWaalsContact C-N 3.33Å; S133-L135 PolarHBondContact O-N 3.04Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 3.36Å; L135-C138 PolarHBondContact O-N 2.84Å; L135-L139 WeakPolarHBondContact O-CB 3.12Å; L135-L139 WeakPolarHBondContact O-CG 3.25Å; L135-L139 PolarHBondContact O-N 2.96Å; L135-C439 HydrophobicContact CD1-CB 4.33Å; L135-L478 HydrophobicContact CD2-CD1 4.1Å; L135-L478 HydrophobicContact CD2-CD2 3.76Å; L135-L478 HydrophobicContact CD2-CG 4.5Å
136T91.3Very high86Confident36 Ų3660.5 Ų60.522%0.22135%0.352CS..Hα-helixtrans-66.6-35.217853.30000112.4I132 S133 S140 A141 L143I132-T136 HydrophobicContact CG1-CG2 4.42Å; I132-T136 WeakPolarHBondContact O-CG2 3.37Å; I132-T136 PolarHBondContact O-N 3.34Å; I132-T136 PolarHBondContact O-OG1 3.1Å; S133-T136 VanDerWaalsContact CA-OG1 3.22Å; S133-T136 WeakPolarHBondContact CA-OG1 3.39Å; S133-T136 PolarHBondContact O-N 2.81Å; S133-T136 PolarHBondContact O-OG1 3.3Å; T136-S140 CarbonylContact O-C 3.53Å; T136-S140 WeakPolarHBondContact O-CA 3.36Å; T136-S140 PolarHBondContact O-N 3.46Å; T136-A141 PolarHBondContact O-N 3.43Å; T136-L143 HydrophobicContact CG2-CB 4.09Å
137D90.9Very high85.5Confident65 Ų6562.8 Ų62.835%0.34836%0.36SS..Hα-helixtrans-67.9-50.1172.2-17621000110.2S133 L135 L139 S140 V481 R484S133-D137 WeakPolarHBondContact O-CB 3.32Å; S133-D137 PolarHBondContact O-N 3.06Å; L135-D137 VanDerWaalsContact C-N 3.34Å; L135-D137 PolarHBondContact O-N 3.36Å; D137-L139 PolarHBondContact O-N 2.89Å; D137-S140 PolarHBondContact O-N 3.15Å; D137-S140 VanDerWaalsContact O-N 3.13Å; D137-V481 HydrophobicContact CB-CG1 4.2Å; D137-V481 WeakPolarHBondContact OD2-CG1 3.45Å; D137-R484 IonicContact OD1-NH2 3.13Å; D137-R484 IonicContact OD2-NH2 2.71Å; D137-R484 PolarHBondContact OD2-NH2 3.09Å
138C92.4Very high86Confident7 Ų768.6 Ų68.65%0.04738%0.377CS..Hα-helixtrans-59.5-27.5177.6174.30000114.1R114 D134 L135 L478 V481R114-C138 VanDerWaalsContact NH1-C 3.33Å; R114-C138 PolarHBondContact NH1-O 2.8Å; D134-C138 WeakPolarHBondContact O-CB 3.34Å; D134-C138 PolarHBondContact O-N 3.48Å; L135-C138 PolarHBondContact O-N 2.84Å; C138-L478 HydrophobicContact CB-CB 4.46Å; C138-L478 HydrophobicContact CB-CD1 4.02Å; C138-L478 VanDerWaalsContact SG-CA 3.54Å; C138-L478 PolarHBondContact SG-N 3.01Å; C138-V481 HydrophobicContact CB-CB 4.37Å; C138-V481 HydrophobicContact CB-CG2 4Å
139L92.3Very high86.6Confident31 Ų3168.3 Ų68.316%0.16237%0.366CS..Hα-helixtrans-105.5-7.2178-61.9177.2000113.3L93 L110 L135 D137 A141L93-L139 HydrophobicContact CD2-CD1 4.19Å; L110-L139 HydrophobicContact CB-CD2 3.97Å; L110-L139 HydrophobicContact CD1-CD2 4.17Å; L110-L139 HydrophobicContact CG-CD2 4.48Å; L135-L139 WeakPolarHBondContact O-CB 3.12Å; L135-L139 WeakPolarHBondContact O-CG 3.25Å; L135-L139 PolarHBondContact O-N 2.96Å; D137-L139 PolarHBondContact O-N 2.89Å; L139-A141 HydrophobicContact CB-CB 3.85Å; L139-A141 PolarHBondContact O-N 2.87Å
140S90.6Very high87Confident87 Ų8772 Ų7261%0.60839%0.391SS*.THydrogen-bonded Turntrans47.445.7-167.2-53.10000111.6R114 T136 D137R114-S140 PolarHBondContact NH2-OG 3.13Å; T136-S140 CarbonylContact O-C 3.53Å; T136-S140 WeakPolarHBondContact O-CA 3.36Å; T136-S140 PolarHBondContact O-N 3.46Å; D137-S140 PolarHBondContact O-N 3.15Å; D137-S140 VanDerWaalsContact O-N 3.13Å
141A91.4Very high87.7Confident49 Ų4970.4 Ų70.441%0.40538%0.381SS..PPolyproline II helixtrans-101147.7-167.800000112.9T136 L139T136-A141 PolarHBondContact O-N 3.43Å; L139-A141 HydrophobicContact CB-CB 3.85Å; L139-A141 PolarHBondContact O-N 2.87Å
142E93.3Very high88Confident151 Ų15176.6 Ų76.671%0.70641%0.407SS*.PPolyproline II helixtrans-78131.5166.3-66.3179.3-179.700110.3Y144E142-Y144 HydrophobicContact CB-CD2 4.46Å; E142-Y144 HydrophobicContact CB-CE2 3.73Å; E142-Y144 PolarHBondContact OE2-OH 3.16Å
143L90.5Very high88.2Confident93 Ų9375.9 Ų75.949%0.48740%0.404SS..PPolyproline II helixtrans-95.3122.9-179.2179.961.6000111.2I132 T136 V145I132-L143 HydrophobicContact CD1-CD1 4.23Å; I132-L143 HydrophobicContact CG1-CD1 3.67Å; I132-L143 HydrophobicContact CG1-CD2 4.08Å; I132-L143 HydrophobicContact CG2-CD2 3.82Å; T136-L143 HydrophobicContact CG2-CB 4.09Å; L143-V145 HydrophobicContact CD1-CG2 4.06Å; L143-V145 HydrophobicContact CD2-CG2 3.98Å; L143-V145 HydrophobicContact CG-CG2 3.8Å
144Y89.8Confident88.4Confident188 Ų18873.7 Ų73.774%0.73739%0.386SS*.  trans-114.7117.8171.8-64.6-91.4000109.2E142E142-Y144 HydrophobicContact CB-CD2 4.46Å; E142-Y144 HydrophobicContact CB-CE2 3.73Å; E142-Y144 PolarHBondContact OE2-OH 3.16Å
145V85.4Confident88.5Confident100 Ų10075.9 Ų75.961%0.60640%0.397SS*.  trans-112.7134.6179.5-174.70000109.5L143L143-V145 HydrophobicContact CD1-CG2 4.06Å; L143-V145 HydrophobicContact CD2-CG2 3.98Å; L143-V145 HydrophobicContact CG-CG2 3.8Å
146S83.3Confident88.7Confident96 Ų9675.9 Ų75.967%0.67140%0.396SS*.  trans-140.1128.3173179.70000110.1F148S146-F148 VanDerWaalsContact C-N 3.35Å; S146-F148 PolarHBondContact OG-N 3.3Å
147N77.4Confident88.8Confident99 Ų9974.2 Ų74.253%0.52939%0.386SS..  trans-96.612.2175-66.1-22.2000112R149 P426N147-R149 PolarHBondContact O-N 3.28Å; N147-P426 PolarHBondContact ND2-O 3.08Å
148F83.9Confident88.9Confident167 Ų16771.3 Ų71.373%0.73237%0.37SS*.  trans-68.4125.8-177175.8-99.3000111.4S146 P150S146-F148 VanDerWaalsContact C-N 3.35Å; S146-F148 PolarHBondContact OG-N 3.3Å; F148-P150 HydrophobicContact CE1-CB 4.47Å
149R82.1Confident88.9Confident83 Ų8371.5 Ų71.531%0.31337%0.371SS..  trans-123133168.8-166.7178177.6149.6-3.3109.8N147 V151 L153 V390 G391 A393N147-R149 PolarHBondContact O-N 3.28Å; R149-V151 WeakPolarHBondContact CD-O 3.25Å; R149-V151 WeakPolarHBondContact CG-O 3.25Å; R149-V151 PolarHBondContact NE-O 3.17Å; R149-V151 VanDerWaalsContact NE-O 3.16Å; R149-V151 PolarHBondContact O-N 3.38Å; R149-L153 VanDerWaalsContact NH1-CB 3.3Å; R149-V390 PolarHBondContact NH2-O 3.21Å; R149-G391 PolarHBondContact NH2-O 3.35Å; R149-G391 VanDerWaalsContact NH2-O 3.1Å; R149-A393 PolarHBondContact NH2-O 2.87Å
150P83.8Confident88.7Confident92 Ų9272.2 Ų72.260%0.59739%0.386SS*.SBendtrans-66.9-22.5179.825.8-34.9000113.6F148 A396F148-P150 HydrophobicContact CE1-CB 4.47Å; P150-A396 HydrophobicContact CB-CB 4.05Å; P150-A396 HydrophobicContact CG-CB 3.97Å
151V86.2Confident88.6Confident6 Ų671.5 Ų71.54%0.03638%0.376CS..SBendtrans-131.6127.4-179.9-176.80000108.9R149 L153 A396R149-V151 WeakPolarHBondContact CD-O 3.25Å; R149-V151 WeakPolarHBondContact CG-O 3.25Å; R149-V151 PolarHBondContact NE-O 3.17Å; R149-V151 VanDerWaalsContact NE-O 3.16Å; R149-V151 PolarHBondContact O-N 3.38Å; V151-L153 PolarHBondContact O-N 3.15Å; V151-A396 HydrophobicContact CG2-CB 4.24Å
152K88.8Confident88.5Confident137 Ų13772.2 Ų72.260%0.59637%0.37SS*.EExtended strand (participates in β ladder)trans-60.4131.9178.2-177.2-179.1178.7-175.30110.4V401 G402K152-V401 HydrophobicContact CB-CG1 4.41Å; K152-V401 WeakPolarHBondContact O-CA 3.5Å; K152-G402 PolarHBondContact O-N 2.82Å
153L89.9Confident88.4Confident35 Ų3565.1 Ų65.118%0.18334%0.337CS..EExtended strand (participates in β ladder)trans-95.4134.4171.5179.862000110R149 V151 E155 V390 A393 G402R149-L153 VanDerWaalsContact NH1-CB 3.3Å; V151-L153 PolarHBondContact O-N 3.15Å; L153-E155 HydrophobicContact CD1-CG 4.48Å; L153-E155 HydrophobicContact CD2-CG 3.8Å; L153-E155 HydrophobicContact CG-CG 3.8Å; L153-V390 HydrophobicContact CD2-CB 4.22Å; L153-V390 HydrophobicContact CD2-CG2 3.99Å; L153-A393 HydrophobicContact CD1-CB 3.65Å; L153-G402 CarbonylContact C-O 3.5Å; L153-G402 WeakPolarHBondContact CA-O 3.43Å
154I91.9Very high88.4Confident17 Ų1763.3 Ų63.39%0.08732%0.324CS..EExtended strand (participates in β ladder)trans-121127.7168.9-48.4173.4000107.8Y156 E165 G402 E403 S404I154-Y156 HydrophobicContact CB-CE2 4.05Å; I154-Y156 HydrophobicContact CG2-CE1 3.81Å; I154-Y156 HydrophobicContact CG2-CE2 3.73Å; I154-Y156 VanDerWaalsContact CG2-OH 3.27Å; I154-Y156 WeakPolarHBondContact CG2-OH 3.42Å; I154-E165 HydrophobicContact CG2-CG 3.98Å; I154-E165 WeakPolarHBondContact CG2-OE1 3.49Å; I154-G402 PolarHBondContact N-O 3.08Å; I154-E403 CarbonylContact O-C 3.6Å; I154-E403 WeakPolarHBondContact O-CA 3.3Å; I154-S404 PolarHBondContact O-N 3.46Å
155E93.3Very high88.5Confident49 Ų4957.4 Ų57.423%0.22930%0.303CS..EExtended strand (participates in β ladder)trans-110.5132.1-172.9-53-172.7-113.700110.5L153 I166 Y386 S404L153-E155 HydrophobicContact CD1-CG 4.48Å; L153-E155 HydrophobicContact CD2-CG 3.8Å; L153-E155 HydrophobicContact CG-CG 3.8Å; E155-I166 HydrophobicContact CB-CB 4.26Å; E155-I166 HydrophobicContact CB-CD1 3.93Å; E155-I166 HydrophobicContact CB-CG1 4.49Å; E155-I166 PolarHBondContact O-N 3.41Å; E155-Y386 WeakPolarHBondContact OE2-CE1 3.44Å; E155-Y386 PolarHBondContact OE2-OH 3.39Å; E155-Y386 VanDerWaalsContact OE2-OH 3.11Å; E155-S404 WeakPolarHBondContact CA-OG 3.34Å; E155-S404 WeakPolarHBondContact CB-OG 3.2Å; E155-S404 WeakPolarHBondContact CG-OG 3.47Å
156Y94Very high88.6Confident6 Ų653.8 Ų53.82%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-126.4152.5-178.4-54.7-78.4000112.1I154 L163 Y164 E165 M220 E403 S404 I405 T406I154-Y156 HydrophobicContact CB-CE2 4.05Å; I154-Y156 HydrophobicContact CG2-CE1 3.81Å; I154-Y156 HydrophobicContact CG2-CE2 3.73Å; I154-Y156 VanDerWaalsContact CG2-OH 3.27Å; I154-Y156 WeakPolarHBondContact CG2-OH 3.42Å; Y156-L163 HydrophobicContact CD1-CG 4.45Å; Y156-L163 HydrophobicContact CG-CD1 4.48Å; Y156-L163 HydrophobicContact CG-CG 4.4Å; Y156-Y164 CarbonylContact C-O 2.93Å; Y156-Y164 WeakPolarHBondContact CA-O 3.28Å; Y156-Y164 WeakPolarHBondContact CB-O 3.42Å; Y156-E165 HydrophobicContact CD1-CB 3.81Å; Y156-E165 HydrophobicContact CD1-CG 4.22Å; Y156-E165 HydrophobicContact CE1-CB 3.72Å; Y156-E165 HydrophobicContact CE1-CG 3.87Å; Y156-M220 HydrophobicContact CD1-CE 3.32Å; Y156-M220 HydrophobicContact CD2-CE 4.15Å; Y156-M220 HydrophobicContact CE1-CE 2.96Å; Y156-M220 HydrophobicContact CE2-CE 3.83Å; Y156-M220 HydrophobicContact CG-CE 3.92Å; Y156-M220 WeakPolarHBondContact OH-CB 3.5Å; Y156-E403 HydrophobicContact CE2-CB 4.12Å; Y156-E403 HydrophobicContact CE2-CG 4.04Å; Y156-S404 WeakPolarHBondContact CB-O 3.47Å; Y156-S404 WeakPolarHBondContact CD2-O 3.39Å; Y156-S404 PolarHBondContact N-O 3.21Å; Y156-I405 HydrophobicContact CD2-CG1 4.19Å; Y156-I405 CarbonylContact O-C 3.57Å; Y156-I405 WeakPolarHBondContact O-CA 3.46Å; Y156-T406 PolarHBondContact O-N 3.07Å
157V94Very high88.4Confident0 Ų051.1 Ų51.10%026%0.26CS..EExtended strand (participates in β ladder)trans-117.4127.6169.9-1760000108.9V159 Y164 I166 L185 T406 L408 F416V157-V159 HydrophobicContact CG1-CG2 3.73Å; V157-Y164 PolarHBondContact N-O 3.3Å; V157-Y164 PolarHBondContact O-N 3Å; V157-I166 HydrophobicContact CG2-CD1 3.61Å; V157-I166 HydrophobicContact CG2-CG1 3.68Å; V157-L185 HydrophobicContact CB-CD2 4.38Å; V157-L185 HydrophobicContact CG2-CD2 4.11Å; V157-T406 CarbonylContact C-O 3.44Å; V157-T406 WeakPolarHBondContact CA-O 3.13Å; V157-L408 HydrophobicContact CG1-CB 4.27Å; V157-L408 HydrophobicContact CG1-CD1 3.32Å; V157-L408 HydrophobicContact CG1-CG 3.71Å; V157-F416 HydrophobicContact CG2-CD1 4.34Å; V157-F416 HydrophobicContact CG2-CE1 3.6Å; V157-F416 HydrophobicContact CG2-CZ 4.36Å
158K93.9Very high87.7Confident5 Ų549.8 Ų49.82%0.02226%0.258CS..EExtended strand (participates in β ladder)trans-97127.4169.1178.8-179.1-176.4-80.80109.7G160 H162 L163 V191 D205 L210 I405 T406 I407 L408K158-G160 WeakPolarHBondContact CE-O 3.3Å; K158-G160 PolarHBondContact NZ-O 2.96Å; K158-H162 WeakPolarHBondContact CA-O 3.5Å; K158-L163 HydrophobicContact CB-CD1 4.01Å; K158-V191 HydrophobicContact CD-CG2 4.24Å; K158-D205 WeakPolarHBondContact CE-O 3.45Å; K158-D205 PolarHBondContact NZ-O 2.66Å; K158-L210 HydrophobicContact CD-CD1 4.05Å; K158-I405 HydrophobicContact CB-CG2 4.14Å; K158-T406 PolarHBondContact N-O 2.98Å; K158-I407 HydrophobicContact CB-CG1 4.31Å; K158-I407 HydrophobicContact CD-CG1 4.27Å; K158-I407 HydrophobicContact CD-CG2 4.42Å; K158-L408 PolarHBondContact O-N 3.08Å
159V90.4Very high86.1Confident11 Ų1146.4 Ų46.47%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-133.5116.9176.7-176.20000109.3V157 D161 H162 Y164 L408 R413V157-V159 HydrophobicContact CG1-CG2 3.73Å; V159-D161 PolarHBondContact O-N 2.86Å; V159-H162 PolarHBondContact N-O 2.95Å; V159-H162 PolarHBondContact O-N 3.26Å; V159-H162 VanDerWaalsContact O-N 3.1Å; V159-Y164 HydrophobicContact CB-CE2 4.09Å; V159-Y164 HydrophobicContact CG2-CD2 4.39Å; V159-Y164 HydrophobicContact CG2-CE2 4.39Å; V159-L408 HydrophobicContact CG2-CB 4.46Å; V159-R413 VanDerWaalsContact CG1-CZ 3.43Å; V159-R413 VanDerWaalsContact CG1-NE 3.27Å
160G88.3Confident84.3Confident46 Ų4648 Ų4847%0.47426%0.26SS..THydrogen-bonded Turntrans55.9-125.3-168.400000109.3K158K158-G160 WeakPolarHBondContact CE-O 3.3Å; K158-G160 PolarHBondContact NZ-O 2.96Å
161D88.7Confident82Confident72 Ų7247.5 Ų47.539%0.38526%0.256SS..THydrogen-bonded Turntrans-93.7-1.9-178.5-57.5-20000113.3V159 M190 V191 H206V159-D161 PolarHBondContact O-N 2.86Å; D161-M190 HydrophobicContact CB-CE 4.08Å; D161-M190 CarbonylContact O-C 3.51Å; D161-M190 VanDerWaalsContact O-CA 3.25Å; D161-M190 WeakPolarHBondContact O-CA 3.49Å; D161-V191 PolarHBondContact O-N 3.29Å; D161-H206 IonicContact OD1-CE1 2.95Å; D161-H206 PolarHBondContact OD1-CE1 3.44Å; D161-H206 IonicContact OD1-ND1 3.38Å; D161-H206 PolarHBondContact OD1-ND1 3.34Å
162H90.3Very high79.8Confident64 Ų6452.6 Ų52.630%0.29629%0.291SS..EExtended strand (participates in β ladder)trans-102.9143.3-172.5-59.4-77.3000111.8K158 V159 Y164 H187 M190K158-H162 WeakPolarHBondContact CA-O 3.5Å; V159-H162 PolarHBondContact N-O 2.95Å; V159-H162 PolarHBondContact O-N 3.26Å; V159-H162 VanDerWaalsContact O-N 3.1Å; H162-Y164 HydrophobicContact CB-CD2 4.37Å; H162-Y164 HydrophobicContact CB-CE2 3.47Å; H162-Y164 VanDerWaalsContact CB-CE2 3.47Å; H162-H187 AromaticContact CG-NE2 3.92Å; H162-H187 AromaticContact ND1-NE2 3.24Å; H162-H187 PolarHBondContact ND1-NE2 3.22Å; H162-M190 WeakPolarHBondContact CE1-CG 3.49Å; H162-M190 VanDerWaalsContact CE1-SD 3.59Å; H162-M190 WeakPolarHBondContact ND1-CG 3.31Å
163L90.9Very high77.4Confident1 Ų153.9 Ų53.91%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-112.8130.8176.1-167.164.8000109.1Y156 K158 C188 R189 M220 I405Y156-L163 HydrophobicContact CD1-CG 4.45Å; Y156-L163 HydrophobicContact CG-CD1 4.48Å; Y156-L163 HydrophobicContact CG-CG 4.4Å; K158-L163 HydrophobicContact CB-CD1 4.01Å; L163-C188 WeakPolarHBondContact O-CB 3.36Å; L163-C188 PolarHBondContact O-N 3.19Å; L163-R189 PolarHBondContact N-O 3.4Å; L163-R189 PolarHBondContact O-N 3.13Å; L163-M220 HydrophobicContact CD2-CE 3.35Å; L163-M220 HydrophobicContact CD2-SD 3.9Å; L163-M220 HydrophobicContact CG-CE 4.01Å; L163-I405 HydrophobicContact CD1-CD1 4.33Å; L163-I405 HydrophobicContact CD1-CG2 3.77Å; L163-I405 HydrophobicContact CD2-CD1 4.37Å
164Y91.4Very high74.9Confident56 Ų5655.8 Ų55.822%0.2231%0.314CS..EExtended strand (participates in β ladder)trans-123137.5-178-58.6-97.4000109.8Y156 V157 V159 H162 L185 V186 H187Y156-Y164 CarbonylContact C-O 2.93Å; Y156-Y164 WeakPolarHBondContact CA-O 3.28Å; Y156-Y164 WeakPolarHBondContact CB-O 3.42Å; V157-Y164 PolarHBondContact N-O 3.3Å; V157-Y164 PolarHBondContact O-N 3Å; V159-Y164 HydrophobicContact CB-CE2 4.09Å; V159-Y164 HydrophobicContact CG2-CD2 4.39Å; V159-Y164 HydrophobicContact CG2-CE2 4.39Å; H162-Y164 HydrophobicContact CB-CD2 4.37Å; H162-Y164 HydrophobicContact CB-CE2 3.47Å; H162-Y164 VanDerWaalsContact CB-CE2 3.47Å; Y164-L185 HydrophobicContact CD1-CB 4.17Å; Y164-L185 HydrophobicContact CG-CB 4.4Å; Y164-L185 HydrophobicContact CG-CD1 4.47Å; Y164-V186 CarbonylContact C-O 3.25Å; Y164-V186 VanDerWaalsContact CA-O 3.23Å; Y164-V186 WeakPolarHBondContact CA-O 3.46Å; Y164-H187 HydrophobicContact CD1-CB 3.9Å; Y164-H187 HydrophobicContact CE1-CB 3.79Å; Y164-H187 AromaticContact CE1-CD2 3.65Å; Y164-H187 AromaticContact CZ-CD2 3.85Å
165E91.3Very high72.1Confident64 Ų6460.9 Ų60.930%0.29935%0.346SS..EExtended strand (participates in β ladder)trans-84.7134.3171.7-174.4172.317700110.1I154 Y156 L185 V186 C188I154-E165 HydrophobicContact CG2-CG 3.98Å; I154-E165 WeakPolarHBondContact CG2-OE1 3.49Å; Y156-E165 HydrophobicContact CD1-CB 3.81Å; Y156-E165 HydrophobicContact CD1-CG 4.22Å; Y156-E165 HydrophobicContact CE1-CB 3.72Å; Y156-E165 HydrophobicContact CE1-CG 3.87Å; E165-L185 WeakPolarHBondContact O-CA 3.46Å; E165-V186 PolarHBondContact N-O 3.47Å; E165-V186 PolarHBondContact O-N 3.23Å; E165-C188 VanDerWaalsContact CB-SG 3.57Å; E165-C188 PolarHBondContact N-SG 2.6Å
166I87.8Confident69.6Low23 Ų2363.8 Ų63.812%0.11837%0.373CS..EExtended strand (participates in β ladder)trans-82.8115.6173-58.7167.1000107.7E155 V157 L185 F416 L420E155-I166 HydrophobicContact CB-CB 4.26Å; E155-I166 HydrophobicContact CB-CD1 3.93Å; E155-I166 HydrophobicContact CB-CG1 4.49Å; E155-I166 PolarHBondContact O-N 3.41Å; V157-I166 HydrophobicContact CG2-CD1 3.61Å; V157-I166 HydrophobicContact CG2-CG1 3.68Å; I166-L185 HydrophobicContact CG1-CD2 4.15Å; I166-F416 HydrophobicContact CD1-CE1 4.23Å; I166-F416 HydrophobicContact CD1-CZ 4.47Å; I166-L420 HydrophobicContact CD1-CD1 3.87Å; I166-L420 HydrophobicContact CD1-CD2 4.38Å; I166-L420 HydrophobicContact CG1-CD1 4.25Å; I166-L420 HydrophobicContact CG2-CD1 3.96Å
167T78.7Confident67.4Low41 Ų4173.4 Ų73.425%0.25242%0.417SS..  trans-97.5134.8177.3-52.60000110.6T169 R184 V186T167-T169 VanDerWaalsContact CG2-OG1 3.28Å; T167-T169 WeakPolarHBondContact CG2-OG1 3.46Å; T167-R184 PolarHBondContact N-O 3.34Å; T167-V186 WeakPolarHBondContact OG1-CG2 3.37Å
168C61.5Low64.9Low71 Ų7175.9 Ų75.948%0.4844%0.443SS..  trans-73.8-32.9177.1-74.60000113K170C168-K170 PolarHBondContact O-N 2.86Å; C168-K170 VanDerWaalsContact O-N 3.14Å
169T51.4Low62.7Low95 Ų9584.2 Ų84.258%0.58349%0.488SS*.  trans-70.9113.7-175.5530000111.4T167 T171T167-T169 VanDerWaalsContact CG2-OG1 3.28Å; T167-T169 WeakPolarHBondContact CG2-OG1 3.46Å; T169-T171 PolarHBondContact O-N 3.44Å
170K45Very low61.1Low116 Ų11688.2 Ų88.250%0.50451%0.509SS..  trans-56.1106.3152.2-64.3174.3-169.3153.90106.3C168 S172C168-K170 PolarHBondContact O-N 2.86Å; C168-K170 VanDerWaalsContact O-N 3.14Å; K170-S172 PolarHBondContact O-N 2.75Å
171T35.4Very low59.9Low83 Ų8387.3 Ų87.351%0.50949%0.492SS..  trans-54.8126.2169.234.60000107.4T169 H173T169-T171 PolarHBondContact O-N 3.44Å; T171-H173 PolarHBondContact O-N 2.7Å
172S38.2Very low58.7Low112 Ų11287.4 Ų87.478%0.78350%0.495SS*.THydrogen-bonded Turntrans-66.421.2-176.847.60000114.3K170K170-S172 PolarHBondContact O-N 2.75Å
173H38.5Very low57.5Low164 Ų16488.4 Ų88.476%0.75950%0.503SS*.THydrogen-bonded Turntrans-127.57.3-174.8-74.4-47.2000115.2T171 T175T171-H173 PolarHBondContact O-N 2.7Å; H173-T175 PolarHBondContact O-N 3.43Å
174C38.1Very low56.7Low75 Ų7590.8 Ų90.851%0.50751%0.512SS..  trans-85.997.4171.6-58.90000110.5D183C174-D183 PolarHBondContact SG-OD2 2.83Å
175T33.4Very low56.3Low124 Ų12489.6 Ų89.676%0.76151%0.509SS*.  trans-70129.5169.547.70000111.1H173H173-T175 PolarHBondContact O-N 3.43Å
176S40.2Very low55.9Low111 Ų11190.2 Ų90.278%0.77652%0.517SS*.SBendtrans56.6111.5152.7-53.20000119.7G178S176-G178 PolarHBondContact O-N 3.49Å; S176-G178 VanDerWaalsContact O-N 3.16Å
177E47.7Very low55.8Low207 Ų20793.8 Ų93.897%0.96753%0.533SS*.SBendtrans67.80.3150.5-61.4-170.2163.600121.4
178G42.5Very low56.1Low52 Ų5294 Ų9454%0.53654%0.536SS..  trans-114.196.1168.400000112.7S176 D180S176-G178 PolarHBondContact O-N 3.49Å; S176-G178 VanDerWaalsContact O-N 3.16Å; G178-D180 PolarHBondContact O-N 3.07Å
179N47.4Very low57.2Low180 Ų18091.6 Ų91.696%0.96352%0.517SS*.  trans-72.462.9165.3-85-19.5000109.5F181N179-F181 PolarHBondContact O-N 3.25Å
180D56.2Low58.7Low96 Ų9691.8 Ų91.851%0.51351%0.512SS..  trans-74.4127.9179.4-161.512.3000109.6G178 T182 D183G178-D180 PolarHBondContact O-N 3.07Å; D180-T182 WeakPolarHBondContact CB-OG1 3.48Å; D180-T182 PolarHBondContact O-N 2.88Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.37Å; D180-T182 PolarHBondContact OD2-OG1 3.11Å; D180-D183 PolarHBondContact O-N 3.01Å; D180-D183 VanDerWaalsContact O-N 3.17Å
181F64.4Low60.6Low26 Ų2686.9 Ų86.911%0.11449%0.492CS..G310 helixtrans-55.5-26.1-180170.6-115.1000112.6N179 D183 R184 L185 R413 F416 A417 L420N179-F181 PolarHBondContact O-N 3.25Å; F181-D183 VanDerWaalsContact C-N 3.27Å; F181-D183 PolarHBondContact O-N 3.28Å; F181-R184 PolarHBondContact O-N 3.44Å; F181-L185 HydrophobicContact CD1-CD1 3.88Å; F181-L185 HydrophobicContact CE1-CD1 3.4Å; F181-L185 HydrophobicContact CE1-CG 4.26Å; F181-L185 HydrophobicContact CZ-CD1 3.82Å; F181-L185 HydrophobicContact CZ-CD2 4.28Å; F181-L185 HydrophobicContact CZ-CG 4.3Å; F181-R413 HydrophobicContact CE1-CB 4.35Å; F181-F416 AromaticContact CE2-CD1 3.97Å; F181-F416 HydrophobicContact CE2-CD1 3.97Å; F181-F416 AromaticContact CZ-CD1 3.88Å; F181-F416 HydrophobicContact CZ-CD1 3.88Å; F181-A417 HydrophobicContact CB-CB 3.59Å; F181-A417 HydrophobicContact CD1-CB 4.5Å; F181-A417 VanDerWaalsContact CD2-CA 3.47Å; F181-A417 HydrophobicContact CD2-CB 3.21Å; F181-A417 HydrophobicContact CE2-CB 3.95Å; F181-A417 HydrophobicContact CG-CB 3.53Å; F181-L420 HydrophobicContact CE2-CD1 4.03Å
182T62Low62.5Low75 Ų7589 Ų8946%0.4650%0.5SS..G310 helixtrans-60.9-30.5179.955.40000113.1D180 R184 L185D180-T182 WeakPolarHBondContact CB-OG1 3.48Å; D180-T182 PolarHBondContact O-N 2.88Å; D180-T182 WeakPolarHBondContact OD2-CG2 3.37Å; D180-T182 PolarHBondContact OD2-OG1 3.11Å; T182-R184 PolarHBondContact O-N 2.7Å; T182-L185 PolarHBondContact O-N 3.17Å; T182-L185 VanDerWaalsContact O-N 3.11Å
183D65.2Low64.5Low85 Ų8586 Ų8646%0.45547%0.473SS..G310 helixtrans-65.9-23.1-179.1-74.1-10.8000113.4C174 D180 F181C174-D183 PolarHBondContact SG-OD2 2.83Å; D180-D183 PolarHBondContact O-N 3.01Å; D180-D183 VanDerWaalsContact O-N 3.17Å; F181-D183 VanDerWaalsContact C-N 3.27Å; F181-D183 PolarHBondContact O-N 3.28Å
184R74.8Confident66.4Low50 Ų5086.9 Ų86.919%0.18948%0.478CS..G310 helixtrans-90-6.3178.3-71.6-178.2167.7-164.3-11.5113.6T167 F181 T182 L420T167-R184 PolarHBondContact N-O 3.34Å; F181-R184 PolarHBondContact O-N 3.44Å; T182-R184 PolarHBondContact O-N 2.7Å; R184-L420 PolarHBondContact NH1-O 2.6Å
185L81.9Confident68.4Low31 Ų3185.5 Ų85.516%0.16246%0.462CS..EExtended strand (participates in β ladder)trans-107.7115.5-172.4-67.3-175.6000111.5V157 Y164 E165 I166 F181 T182V157-L185 HydrophobicContact CB-CD2 4.38Å; V157-L185 HydrophobicContact CG2-CD2 4.11Å; Y164-L185 HydrophobicContact CD1-CB 4.17Å; Y164-L185 HydrophobicContact CG-CB 4.4Å; Y164-L185 HydrophobicContact CG-CD1 4.47Å; E165-L185 WeakPolarHBondContact O-CA 3.46Å; I166-L185 HydrophobicContact CG1-CD2 4.15Å; F181-L185 HydrophobicContact CD1-CD1 3.88Å; F181-L185 HydrophobicContact CE1-CD1 3.4Å; F181-L185 HydrophobicContact CE1-CG 4.26Å; F181-L185 HydrophobicContact CZ-CD1 3.82Å; F181-L185 HydrophobicContact CZ-CD2 4.28Å; F181-L185 HydrophobicContact CZ-CG 4.3Å; T182-L185 PolarHBondContact O-N 3.17Å; T182-L185 VanDerWaalsContact O-N 3.11Å
186V83.9Confident70.9Confident77 Ų7783.4 Ų83.447%0.46745%0.449SS..EExtended strand (participates in β ladder)trans-95.9116171-179.80000108.6Y164 E165 T167 C188Y164-V186 CarbonylContact C-O 3.25Å; Y164-V186 VanDerWaalsContact CA-O 3.23Å; Y164-V186 WeakPolarHBondContact CA-O 3.46Å; E165-V186 PolarHBondContact N-O 3.47Å; E165-V186 PolarHBondContact O-N 3.23Å; T167-V186 WeakPolarHBondContact OG1-CG2 3.37Å; V186-C188 PolarHBondContact O-N 3.3Å; V186-C188 PolarHBondContact O-SG 2.88Å
187H85.1Confident73Confident98 Ų9887.5 Ų87.545%0.45445%0.453SS..EExtended strand (participates in β ladder)trans-59.7125.5173.5180-85.4000110H162 Y164H162-H187 AromaticContact CG-NE2 3.92Å; H162-H187 AromaticContact ND1-NE2 3.24Å; H162-H187 PolarHBondContact ND1-NE2 3.22Å; Y164-H187 HydrophobicContact CD1-CB 3.9Å; Y164-H187 HydrophobicContact CE1-CB 3.79Å; Y164-H187 AromaticContact CE1-CD2 3.65Å; Y164-H187 AromaticContact CZ-CD2 3.85Å
188C84.8Confident74.9Confident46 Ų4685.6 Ų85.631%0.31144%0.441SS..EExtended strand (participates in β ladder)trans-101.5-61-179.5-64.50000111.3L163 E165 V186 M220L163-C188 WeakPolarHBondContact O-CB 3.36Å; L163-C188 PolarHBondContact O-N 3.19Å; E165-C188 VanDerWaalsContact CB-SG 3.57Å; E165-C188 PolarHBondContact N-SG 2.6Å; V186-C188 PolarHBondContact O-N 3.3Å; V186-C188 PolarHBondContact O-SG 2.88Å; C188-M220 HydrophobicContact CB-CE 3.99Å
189R84.5Confident77.1Confident20 Ų2084.8 Ų84.88%0.07542%0.424CS..EExtended strand (participates in β ladder)trans-165.7173.7-175.163175.9173.21234.1112.6L163 E213 M220 W223L163-R189 PolarHBondContact N-O 3.4Å; L163-R189 PolarHBondContact O-N 3.13Å; R189-E213 IonicContact CZ-OE1 2.96Å; R189-E213 IonicContact CZ-OE2 2.69Å; R189-E213 IonicContact NH1-OE1 3.29Å; R189-E213 PolarHBondContact NH1-OE1 2.99Å; R189-E213 IonicContact NH1-OE2 3.92Å; R189-E213 VanDerWaalsContact NH2-CD 3.28Å; R189-E213 IonicContact NH2-OE1 3.05Å; R189-E213 PolarHBondContact NH2-OE1 3.44Å; R189-E213 VanDerWaalsContact NH2-OE1 3.13Å; R189-E213 IonicContact NH2-OE2 3.98Å; R189-E213 PolarHBondContact NH2-OE2 3.42Å; R189-M220 HydrophobicContact CG-SD 4.27Å; R189-M220 PolarHBondContact NE-SD 3.48Å; R189-W223 VanDerWaalsContact CZ-CZ3 3.45Å
190M84.7Confident79Confident100 Ų10079.9 Ų79.949%0.49340%0.398SS..EExtended strand (participates in β ladder)trans-87.7146.8161.6-71.9175.964.900110.7D161 H162 D192D161-M190 HydrophobicContact CB-CE 4.08Å; D161-M190 CarbonylContact O-C 3.51Å; D161-M190 VanDerWaalsContact O-CA 3.25Å; D161-M190 WeakPolarHBondContact O-CA 3.49Å; H162-M190 WeakPolarHBondContact CE1-CG 3.49Å; H162-M190 VanDerWaalsContact CE1-SD 3.59Å; H162-M190 WeakPolarHBondContact ND1-CG 3.31Å; M190-D192 PolarHBondContact O-N 2.99Å
191V83.3Confident80.5Confident13 Ų1379.8 Ų79.88%0.07940%0.404CS..  trans-72.7108.6171-178.90000107.8K158 D161 H206 A209 L210K158-V191 HydrophobicContact CD-CG2 4.24Å; D161-V191 PolarHBondContact O-N 3.29Å; V191-H206 HydrophobicContact CG1-CB 4.13Å; V191-A209 HydrophobicContact CG1-CB 3.61Å; V191-L210 HydrophobicContact CG1-CD2 4.22Å; V191-L210 HydrophobicContact CG2-CD2 4Å
192D76.5Confident81.8Confident127 Ų12783.3 Ų83.368%0.67942%0.417SS*.  trans-100.4117.8-178.4-173.815.7000110.4M190M190-D192 PolarHBondContact O-N 2.99Å
193F78.6Confident83.2Confident48 Ų4879.8 Ų79.821%0.21140%0.395CS..  trans-158.2142176.9-171.2-92.7000110Y195 M199 V208 A209 A212 P265F193-Y195 VanDerWaalsContact C-N 3.31Å; F193-Y195 HydrophobicContact CB-CD2 3.9Å; F193-Y195 HydrophobicContact CB-CE2 3.61Å; F193-Y195 HydrophobicContact CD1-CD1 4.3Å; F193-Y195 AromaticContact CD1-CD2 3.64Å; F193-Y195 HydrophobicContact CD1-CD2 3.64Å; F193-Y195 HydrophobicContact CD1-CE1 4.15Å; F193-Y195 AromaticContact CD1-CE2 3.47Å; F193-Y195 HydrophobicContact CD1-CE2 3.47Å; F193-Y195 VanDerWaalsContact CD1-CE2 3.47Å; F193-Y195 HydrophobicContact CD1-CG 4.05Å; F193-Y195 AromaticContact CD1-CZ 3.72Å; F193-Y195 HydrophobicContact CE1-CE1 4.47Å; F193-Y195 HydrophobicContact CE1-CE2 4.48Å; F193-Y195 HydrophobicContact CG-CD2 4.24Å; F193-Y195 AromaticContact CG-CE2 3.88Å; F193-Y195 HydrophobicContact CG-CE2 3.88Å; F193-Y195 WeakPolarHBondContact O-CD2 3.27Å; F193-Y195 PolarHBondContact O-N 2.88Å; F193-M199 HydrophobicContact CE1-CE 4.01Å; F193-V208 HydrophobicContact CE1-CG1 4.24Å; F193-V208 HydrophobicContact CZ-CG1 4.06Å; F193-A209 HydrophobicContact CB-CB 3.42Å; F193-A209 VanDerWaalsContact CB-CB 3.42Å; F193-A209 HydrophobicContact CD1-CB 4.35Å; F193-A209 HydrophobicContact CD2-CB 3.91Å; F193-A209 HydrophobicContact CG-CB 3.65Å; F193-A212 HydrophobicContact CE2-CB 3.86Å; F193-P265 HydrophobicContact CE2-CG 4.32Å; F193-P265 HydrophobicContact CZ-CG 3.96Å
194Q79.2Confident84.3Confident184 Ų18479.6 Ų79.686%0.8640%0.399SS*.  trans-74.981-178.8-65.1-176.64.500111.3
195Y81Confident85.1Confident46 Ų4677.9 Ų77.918%0.1839%0.393CS..  trans-81.2128174.1-78.4-82.9000111.7F193 M199 L200 D203 H206 V208 A209F193-Y195 VanDerWaalsContact C-N 3.31Å; F193-Y195 HydrophobicContact CB-CD2 3.9Å; F193-Y195 HydrophobicContact CB-CE2 3.61Å; F193-Y195 HydrophobicContact CD1-CD1 4.3Å; F193-Y195 AromaticContact CD1-CD2 3.64Å; F193-Y195 HydrophobicContact CD1-CD2 3.64Å; F193-Y195 HydrophobicContact CD1-CE1 4.15Å; F193-Y195 AromaticContact CD1-CE2 3.47Å; F193-Y195 HydrophobicContact CD1-CE2 3.47Å; F193-Y195 VanDerWaalsContact CD1-CE2 3.47Å; F193-Y195 HydrophobicContact CD1-CG 4.05Å; F193-Y195 AromaticContact CD1-CZ 3.72Å; F193-Y195 HydrophobicContact CE1-CE1 4.47Å; F193-Y195 HydrophobicContact CE1-CE2 4.48Å; F193-Y195 HydrophobicContact CG-CD2 4.24Å; F193-Y195 AromaticContact CG-CE2 3.88Å; F193-Y195 HydrophobicContact CG-CE2 3.88Å; F193-Y195 WeakPolarHBondContact O-CD2 3.27Å; F193-Y195 PolarHBondContact O-N 2.88Å; Y195-M199 HydrophobicContact CD1-CB 3.85Å; Y195-L200 HydrophobicContact CG-CD1 4.48Å; Y195-D203 HydrophobicContact CE1-CB 4.2Å; Y195-D203 WeakPolarHBondContact CE1-OD2 3.38Å; Y195-D203 PolarHBondContact OH-OD2 3.04Å; Y195-H206 AromaticContact CD2-CD2 3.75Å; Y195-H206 HydrophobicContact CE2-CB 4.03Å; Y195-H206 AromaticContact CE2-CD2 3.33Å; Y195-H206 WeakPolarHBondContact CE2-CD2 3.34Å; Y195-H206 AromaticContact CE2-CG 3.88Å; Y195-H206 AromaticContact CZ-CD2 3.66Å; Y195-H206 VanDerWaalsContact OH-C 3.3Å; Y195-H206 WeakPolarHBondContact OH-CA 3.48Å; Y195-V208 HydrophobicContact CE1-CB 4.47Å; Y195-A209 HydrophobicContact CE2-CB 3.87Å; Y195-A209 WeakPolarHBondContact OH-CB 3.38Å; Y195-A209 PolarHBondContact OH-N 3.01Å
196T85.6Confident85.5Confident79 Ų7977.2 Ų77.249%0.48539%0.389SS..  trans-76.3154.7160.665.50000110K198 M199 L200T196-K198 PolarHBondContact O-N 3.42Å; T196-K198 VanDerWaalsContact O-N 3.09Å; T196-M199 HydrophobicContact CG2-SD 4.26Å; T196-M199 WeakPolarHBondContact O-CB 3.2Å; T196-M199 PolarHBondContact O-N 3.16Å; T196-M199 WeakPolarHBondContact OG1-CG 3.36Å; T196-M199 PolarHBondContact OG1-N 3.35Å; T196-M199 PolarHBondContact OG1-SD 3.42Å; T196-L200 PolarHBondContact O-N 3.11Å
197K84.8Confident86Confident198 Ų19873.6 Ų73.686%0.86137%0.367SS*.Hα-helixtrans-53-34.7176.8-69.1-173.6178.4-178.10113S201K197-S201 PolarHBondContact O-N 2.85Å
198K86.9Confident86.4Confident166 Ų16668.9 Ų68.972%0.72235%0.346SS*.Hα-helixtrans-73.5-31.7177.2-173.5179.5178.6-177.80113T196 S201T196-K198 PolarHBondContact O-N 3.42Å; T196-K198 VanDerWaalsContact O-N 3.09Å; K198-S201 PolarHBondContact O-OG 2.87Å
199M87.5Confident86.8Confident35 Ų3566.7 Ų66.717%0.17233%0.331CS..Hα-helixtrans-72.2-43.5173.9-70.6170.573.600110.5F193 Y195 T196 S201 R202 D203 L263F193-M199 HydrophobicContact CE1-CE 4.01Å; Y195-M199 HydrophobicContact CD1-CB 3.85Å; T196-M199 HydrophobicContact CG2-SD 4.26Å; T196-M199 WeakPolarHBondContact O-CB 3.2Å; T196-M199 PolarHBondContact O-N 3.16Å; T196-M199 WeakPolarHBondContact OG1-CG 3.36Å; T196-M199 PolarHBondContact OG1-N 3.35Å; T196-M199 PolarHBondContact OG1-SD 3.42Å; M199-S201 VanDerWaalsContact C-N 3.29Å; M199-S201 PolarHBondContact O-N 2.95Å; M199-R202 PolarHBondContact O-N 3.4Å; M199-D203 PolarHBondContact O-N 2.87Å; M199-L263 HydrophobicContact CE-CB 4.42Å; M199-L263 HydrophobicContact CG-CD2 4.14Å
200L87.1Confident87.2Confident78 Ų7865.8 Ų65.841%0.40833%0.327SS..Hα-helixtrans-61.2-35.9-179-169.166000112.7Y195 T196 R202 D203 P204 H206Y195-L200 HydrophobicContact CG-CD1 4.48Å; T196-L200 PolarHBondContact O-N 3.11Å; L200-R202 PolarHBondContact O-N 2.82Å; L200-D203 CarbonylContact O-C 3.39Å; L200-D203 PolarHBondContact O-N 2.94Å; L200-P204 WeakPolarHBondContact O-CA 3.29Å; L200-H206 WeakPolarHBondContact CD1-NE2 3.48Å
201S89.3Confident87.6Confident94 Ų9461 Ų6166%0.65730%0.304SS*.THydrogen-bonded Turntrans-66.8-21.9175.766.40000113.8K197 K198 M199K197-S201 PolarHBondContact O-N 2.85Å; K198-S201 PolarHBondContact O-OG 2.87Å; M199-S201 VanDerWaalsContact C-N 3.29Å; M199-S201 PolarHBondContact O-N 2.95Å
202R90.4Very high87.9Confident100 Ų10060.4 Ų60.438%0.37730%0.3SS..THydrogen-bonded Turntrans-98.2-28.3178.9-64.7-172.964.3-163.1-0.3113.3M199 L200 P204 E262 L263M199-R202 PolarHBondContact O-N 3.4Å; L200-R202 PolarHBondContact O-N 2.82Å; R202-P204 VanDerWaalsContact C-CD 3.4Å; R202-E262 IonicContact CZ-OE2 3.53Å; R202-E262 IonicContact NH1-OE2 2.91Å; R202-E262 PolarHBondContact NH1-OE2 3.37Å; R202-E262 IonicContact NH2-OE2 3.82Å; R202-E262 PolarHBondContact NH2-OE2 2.61Å; R202-L263 HydrophobicContact CB-CD1 4.1Å
203D91.9Very high88.5Confident0 Ų055.1 Ų55.10%027%0.272CS..  trans-125.964.8178.9-176.435.4000111.1Y195 M199 L200 D205 H206 L207 V208 M259 L263Y195-D203 HydrophobicContact CE1-CB 4.2Å; Y195-D203 WeakPolarHBondContact CE1-OD2 3.38Å; Y195-D203 PolarHBondContact OH-OD2 3.04Å; M199-D203 PolarHBondContact O-N 2.87Å; L200-D203 CarbonylContact O-C 3.39Å; L200-D203 PolarHBondContact O-N 2.94Å; D203-D205 PolarHBondContact O-N 2.91Å; D203-H206 PolarHBondContact O-N 3.1Å; D203-H206 WeakPolarHBondContact OD2-CA 3.4Å; D203-L207 VanDerWaalsContact CG-N 3.33Å; D203-L207 WeakPolarHBondContact OD1-CB 3.31Å; D203-L207 PolarHBondContact OD1-N 3.4Å; D203-L207 PolarHBondContact OD2-N 3.21Å; D203-V208 HydrophobicContact CB-CG2 4.2Å; D203-V208 VanDerWaalsContact OD2-CB 3.3Å; D203-V208 WeakPolarHBondContact OD2-CB 3.4Å; D203-V208 VanDerWaalsContact OD2-CG2 3.3Å; D203-V208 WeakPolarHBondContact OD2-CG2 3.47Å; D203-V208 PolarHBondContact OD2-N 2.92Å; D203-M259 HydrophobicContact CB-CE 4.3Å; D203-M259 HydrophobicContact CB-SD 4.18Å; D203-L263 HydrophobicContact CB-CD1 4.27Å
204P89.1Confident89.1Confident82 Ų8253 Ų5353%0.53226%0.262SS..THydrogen-bonded Turntrans-66-18.3178.229.1-36.7000112.6L200 R202 H206L200-P204 WeakPolarHBondContact O-CA 3.29Å; R202-P204 VanDerWaalsContact C-CD 3.4Å; P204-H206 VanDerWaalsContact C-N 3.28Å; P204-H206 PolarHBondContact O-N 3.25Å
205D90.5Very high89.5Confident14 Ų1444.7 Ų44.78%0.07522%0.224CC..THydrogen-bonded Turntrans-83.5-4.8-178.8-57.9-40.3000112.5K158 D203 L207 R372 I407 Q409K158-D205 WeakPolarHBondContact CE-O 3.45Å; K158-D205 PolarHBondContact NZ-O 2.66Å; D203-D205 PolarHBondContact O-N 2.91Å; D205-L207 PolarHBondContact O-N 3.38Å; D205-R372 IonicContact OD2-CZ 2.63Å; D205-R372 IonicContact OD2-NE 2.96Å; D205-R372 PolarHBondContact OD2-NE 3.47Å; D205-R372 VanDerWaalsContact OD2-NE 3.15Å; D205-R372 IonicContact OD2-NH2 3.06Å; D205-R372 PolarHBondContact OD2-NH2 3.18Å; D205-I407 HydrophobicContact CB-CD1 4.17Å; D205-I407 HydrophobicContact CB-CG2 4.36Å; D205-Q409 PolarHBondContact OD1-NE2 3.36Å
206H91.9Very high89.6Confident17 Ų1746.5 Ų46.58%0.07923%0.233CC..  trans51.936.1-168.9-54.4146.4000114.2D161 V191 Y195 L200 D203 P204 A209 L210D161-H206 IonicContact OD1-CE1 2.95Å; D161-H206 PolarHBondContact OD1-CE1 3.44Å; D161-H206 IonicContact OD1-ND1 3.38Å; D161-H206 PolarHBondContact OD1-ND1 3.34Å; V191-H206 HydrophobicContact CG1-CB 4.13Å; Y195-H206 AromaticContact CD2-CD2 3.75Å; Y195-H206 HydrophobicContact CE2-CB 4.03Å; Y195-H206 AromaticContact CE2-CD2 3.33Å; Y195-H206 WeakPolarHBondContact CE2-CD2 3.34Å; Y195-H206 AromaticContact CE2-CG 3.88Å; Y195-H206 AromaticContact CZ-CD2 3.66Å; Y195-H206 VanDerWaalsContact OH-C 3.3Å; Y195-H206 WeakPolarHBondContact OH-CA 3.48Å; L200-H206 WeakPolarHBondContact CD1-NE2 3.48Å; D203-H206 PolarHBondContact O-N 3.1Å; D203-H206 WeakPolarHBondContact OD2-CA 3.4Å; P204-H206 VanDerWaalsContact C-N 3.28Å; P204-H206 PolarHBondContact O-N 3.25Å; H206-A209 HydrophobicContact CB-CB 4.36Å; H206-A209 PolarHBondContact O-N 3.01Å; H206-L210 PolarHBondContact O-N 3.38Å
207L93.8Very high89.1Confident0 Ų043.4 Ų43.40%022%0.216CC..Hα-helixtrans-67.5-37.2-178.7-178.765.5000111.8D203 D205 A209 L210 V211 V245 T256 M259 L260 I370 R372 I407D203-L207 VanDerWaalsContact CG-N 3.33Å; D203-L207 WeakPolarHBondContact OD1-CB 3.31Å; D203-L207 PolarHBondContact OD1-N 3.4Å; D203-L207 PolarHBondContact OD2-N 3.21Å; D205-L207 PolarHBondContact O-N 3.38Å; L207-A209 VanDerWaalsContact C-N 3.29Å; L207-A209 PolarHBondContact O-N 2.83Å; L207-L210 PolarHBondContact O-N 3.22Å; L207-V211 HydrophobicContact CD1-CG2 4.21Å; L207-V211 HydrophobicContact CG-CG2 4.32Å; L207-V211 VanDerWaalsContact O-CG2 3.31Å; L207-V211 WeakPolarHBondContact O-CG2 3.41Å; L207-V211 PolarHBondContact O-N 3.43Å; L207-V245 HydrophobicContact CD1-CG1 4.01Å; L207-V245 HydrophobicContact CD1-CG2 4.47Å; L207-V245 HydrophobicContact CD2-CG1 4.07Å; L207-T256 HydrophobicContact CD2-CG2 3.37Å; L207-M259 HydrophobicContact CB-CE 4.27Å; L207-M259 HydrophobicContact CD2-CE 3.94Å; L207-L260 HydrophobicContact CD2-CD1 4.45Å; L207-L260 HydrophobicContact CD2-CD2 4.38Å; L207-L260 HydrophobicContact CG-CD2 4.21Å; L207-I370 HydrophobicContact CD1-CB 4.46Å; L207-I370 HydrophobicContact CD1-CD1 4.1Å; L207-I370 HydrophobicContact CD1-CG2 3.72Å; L207-R372 HydrophobicContact CD2-CG 4.46Å; L207-I407 HydrophobicContact CD1-CD1 4.32Å
208V93.5Very high88.3Confident0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-59-43.3177.9175.80000110.3F193 Y195 D203 V211 A212 M259 L260 L263 L264F193-V208 HydrophobicContact CE1-CG1 4.24Å; F193-V208 HydrophobicContact CZ-CG1 4.06Å; Y195-V208 HydrophobicContact CE1-CB 4.47Å; D203-V208 HydrophobicContact CB-CG2 4.2Å; D203-V208 VanDerWaalsContact OD2-CB 3.3Å; D203-V208 WeakPolarHBondContact OD2-CB 3.4Å; D203-V208 VanDerWaalsContact OD2-CG2 3.3Å; D203-V208 WeakPolarHBondContact OD2-CG2 3.47Å; D203-V208 PolarHBondContact OD2-N 2.92Å; V208-V211 PolarHBondContact O-N 3.4Å; V208-A212 WeakPolarHBondContact O-CB 3.41Å; V208-A212 PolarHBondContact O-N 3.45Å; V208-M259 HydrophobicContact CG2-CE 4.29Å; V208-M259 HydrophobicContact CG2-SD 3.47Å; V208-M259 WeakPolarHBondContact CG2-SD 3.43Å; V208-L260 HydrophobicContact CG2-CD2 4.02Å; V208-L263 HydrophobicContact CG1-CB 4.32Å; V208-L263 HydrophobicContact CG2-CB 3.72Å; V208-L263 HydrophobicContact CG2-CD1 4.17Å; V208-L264 HydrophobicContact CG1-CD2 3.95Å; V208-L264 HydrophobicContact CG1-CG 4.3Å
209A91.9Very high87Confident0 Ų030.8 Ų30.80%016%0.164CC..Hα-helixtrans-59.6-52.8176.800000111.9V191 F193 Y195 H206 L207 V211 A212 E213V191-A209 HydrophobicContact CG1-CB 3.61Å; F193-A209 HydrophobicContact CB-CB 3.42Å; F193-A209 VanDerWaalsContact CB-CB 3.42Å; F193-A209 HydrophobicContact CD1-CB 4.35Å; F193-A209 HydrophobicContact CD2-CB 3.91Å; F193-A209 HydrophobicContact CG-CB 3.65Å; Y195-A209 HydrophobicContact CE2-CB 3.87Å; Y195-A209 WeakPolarHBondContact OH-CB 3.38Å; Y195-A209 PolarHBondContact OH-N 3.01Å; H206-A209 HydrophobicContact CB-CB 4.36Å; H206-A209 PolarHBondContact O-N 3.01Å; L207-A209 VanDerWaalsContact C-N 3.29Å; L207-A209 PolarHBondContact O-N 2.83Å; A209-V211 VanDerWaalsContact C-N 3.29Å; A209-V211 PolarHBondContact O-N 3.36Å; A209-A212 PolarHBondContact O-N 3.15Å; A209-E213 WeakPolarHBondContact O-CG 3.4Å; A209-E213 PolarHBondContact O-N 3.48Å
210L93.1Very high85.5Confident0 Ų030.1 Ų30.10%016%0.161CC..Hα-helixtrans-61.2-38.1-178.8-64.1178.2000112.7K158 V191 H206 L207 T214 R368 I370 I405 I407K158-L210 HydrophobicContact CD-CD1 4.05Å; V191-L210 HydrophobicContact CG1-CD2 4.22Å; V191-L210 HydrophobicContact CG2-CD2 4Å; H206-L210 PolarHBondContact O-N 3.38Å; L207-L210 PolarHBondContact O-N 3.22Å; L210-T214 PolarHBondContact O-N 3.04Å; L210-T214 PolarHBondContact O-OG1 3.44Å; L210-R368 PolarHBondContact O-NH1 3.18Å; L210-R368 VanDerWaalsContact O-NH1 3.11Å; L210-I370 HydrophobicContact CB-CD1 3.67Å; L210-I370 HydrophobicContact CD1-CD1 4.43Å; L210-I405 HydrophobicContact CD1-CD1 4.37Å; L210-I405 HydrophobicContact CD1-CG2 4.02Å; L210-I405 HydrophobicContact CD2-CD1 3.84Å; L210-I407 HydrophobicContact CD1-CD1 4.08Å; L210-I407 HydrophobicContact CD1-CG1 4.37Å
211V93.9Very high83.8Confident0 Ų029.2 Ų29.20%016%0.161CC..Hα-helixtrans-70.2-46.1176.2173.90000110.3L207 V208 A209 E213 T214 L215 V245 L260 L264 V351 I370L207-V211 HydrophobicContact CD1-CG2 4.21Å; L207-V211 HydrophobicContact CG-CG2 4.32Å; L207-V211 VanDerWaalsContact O-CG2 3.31Å; L207-V211 WeakPolarHBondContact O-CG2 3.41Å; L207-V211 PolarHBondContact O-N 3.43Å; V208-V211 PolarHBondContact O-N 3.4Å; A209-V211 VanDerWaalsContact C-N 3.29Å; A209-V211 PolarHBondContact O-N 3.36Å; V211-E213 PolarHBondContact O-N 3.24Å; V211-T214 WeakPolarHBondContact O-CB 3.21Å; V211-T214 PolarHBondContact O-N 3.09Å; V211-T214 VanDerWaalsContact O-N 3.14Å; V211-L215 HydrophobicContact CG1-CD1 3.97Å; V211-L215 HydrophobicContact CG1-CG 4.32Å; V211-L215 WeakPolarHBondContact O-CG 3.49Å; V211-L215 PolarHBondContact O-N 3.19Å; V211-V245 HydrophobicContact CG2-CG2 4.04Å; V211-L260 HydrophobicContact CB-CD2 4.26Å; V211-L260 HydrophobicContact CG2-CD1 4.3Å; V211-L260 HydrophobicContact CG2-CD2 4.05Å; V211-L264 HydrophobicContact CB-CD2 4.38Å; V211-L264 HydrophobicContact CG1-CD1 3.94Å; V211-L264 HydrophobicContact CG1-CD2 4.08Å; V211-V351 HydrophobicContact CG1-CG1 4.13Å; V211-V351 HydrophobicContact CG1-CG2 3.63Å; V211-I370 HydrophobicContact CG2-CD1 3.91Å
212A90.5Very high81.8Confident1 Ų128.5 Ų28.51%0.00815%0.15CC..Hα-helixtrans-58.8-45.7177.800000111.6F193 V208 A209 T214 L215 F216 L264F193-A212 HydrophobicContact CE2-CB 3.86Å; V208-A212 WeakPolarHBondContact O-CB 3.41Å; V208-A212 PolarHBondContact O-N 3.45Å; A209-A212 PolarHBondContact O-N 3.15Å; A212-T214 VanDerWaalsContact C-N 3.27Å; A212-T214 PolarHBondContact O-N 2.98Å; A212-L215 PolarHBondContact O-N 3.42Å; A212-L215 VanDerWaalsContact O-N 3.1Å; A212-F216 HydrophobicContact CB-CD2 4.3Å; A212-F216 HydrophobicContact CB-CE2 3.94Å; A212-F216 WeakPolarHBondContact O-CD2 3.33Å; A212-F216 WeakPolarHBondContact O-CG 3.1Å; A212-F216 PolarHBondContact O-N 3.06Å; A212-L264 HydrophobicContact CB-CD2 3.94Å
213E88.6Confident79.6Confident16 Ų1627.6 Ų27.68%0.07515%0.146CC..Hα-helixtrans-54-44.6174.3-75.6-179.1172.500112.5R189 A209 V211 F216 G217 H218 R368R189-E213 IonicContact CZ-OE1 2.96Å; R189-E213 IonicContact CZ-OE2 2.69Å; R189-E213 IonicContact NH1-OE1 3.29Å; R189-E213 PolarHBondContact NH1-OE1 2.99Å; R189-E213 IonicContact NH1-OE2 3.92Å; R189-E213 VanDerWaalsContact NH2-CD 3.28Å; R189-E213 IonicContact NH2-OE1 3.05Å; R189-E213 PolarHBondContact NH2-OE1 3.44Å; R189-E213 VanDerWaalsContact NH2-OE1 3.13Å; R189-E213 IonicContact NH2-OE2 3.98Å; R189-E213 PolarHBondContact NH2-OE2 3.42Å; A209-E213 WeakPolarHBondContact O-CG 3.4Å; A209-E213 PolarHBondContact O-N 3.48Å; V211-E213 PolarHBondContact O-N 3.24Å; E213-F216 PolarHBondContact O-N 3.03Å; E213-G217 PolarHBondContact O-N 3.36Å; E213-G217 VanDerWaalsContact O-N 3.16Å; E213-H218 HydrophobicContact CB-CB 4.39Å; E213-H218 PolarHBondContact O-N 2.8Å; E213-R368 IonicContact OE2-NH1 3.7Å; E213-R368 PolarHBondContact OE2-NH1 3.22Å
214T89.7Confident77.1Confident3 Ų334 Ų342%0.01819%0.189CC..Hα-helixtrans-61.5-47177.5-51.40000110.6L210 V211 A212 F216 G217 F241 C243 R368L210-T214 PolarHBondContact O-N 3.04Å; L210-T214 PolarHBondContact O-OG1 3.44Å; V211-T214 WeakPolarHBondContact O-CB 3.21Å; V211-T214 PolarHBondContact O-N 3.09Å; V211-T214 VanDerWaalsContact O-N 3.14Å; A212-T214 VanDerWaalsContact C-N 3.27Å; A212-T214 PolarHBondContact O-N 2.98Å; T214-F216 VanDerWaalsContact C-N 3.32Å; T214-F216 PolarHBondContact O-N 2.97Å; T214-G217 PolarHBondContact O-N 3.38Å; T214-G217 VanDerWaalsContact O-N 3.07Å; T214-F241 HydrophobicContact CG2-CB 4.49Å; T214-F241 WeakPolarHBondContact O-CB 3.38Å; T214-C243 HydrophobicContact CG2-CB 3.99Å; T214-R368 HydrophobicContact CG2-CB 3.63Å; T214-R368 VanDerWaalsContact OG1-CD 3.24Å; T214-R368 WeakPolarHBondContact OG1-CD 3.47Å; T214-R368 PolarHBondContact OG1-NE 3.28Å; T214-R368 PolarHBondContact OG1-NH1 2.88Å
215L87.9Confident74.4Confident10 Ų1032.6 Ų32.65%0.05218%0.181CC..Hα-helixtrans-69.2-29.4-177-65177.9000113V211 A212 G217 L264 A268 R350 V351V211-L215 HydrophobicContact CG1-CD1 3.97Å; V211-L215 HydrophobicContact CG1-CG 4.32Å; V211-L215 WeakPolarHBondContact O-CG 3.49Å; V211-L215 PolarHBondContact O-N 3.19Å; A212-L215 PolarHBondContact O-N 3.42Å; A212-L215 VanDerWaalsContact O-N 3.1Å; L215-G217 VanDerWaalsContact C-N 3.29Å; L215-L264 HydrophobicContact CD1-CD1 4.36Å; L215-A268 HydrophobicContact CB-CB 4.4Å; L215-A268 HydrophobicContact CD1-CB 4.14Å; L215-R350 HydrophobicContact CD2-CB 3.68Å; L215-V351 HydrophobicContact CD1-CG2 3.86Å; L215-V351 HydrophobicContact CD2-CG2 3.89Å; L215-V351 HydrophobicContact CG-CG2 4.24Å
216F83.5Confident71.7Confident83 Ų8339.4 Ų39.436%0.36422%0.218SC..Hα-helixtrans-78.7-11172-65.2-44.8000113.3A212 E213 T214 H218 P267 A268A212-F216 HydrophobicContact CB-CD2 4.3Å; A212-F216 HydrophobicContact CB-CE2 3.94Å; A212-F216 WeakPolarHBondContact O-CD2 3.33Å; A212-F216 WeakPolarHBondContact O-CG 3.1Å; A212-F216 PolarHBondContact O-N 3.06Å; E213-F216 PolarHBondContact O-N 3.03Å; T214-F216 VanDerWaalsContact C-N 3.32Å; T214-F216 PolarHBondContact O-N 2.97Å; F216-H218 VanDerWaalsContact CB-CD2 3.41Å; F216-H218 WeakPolarHBondContact CB-CD2 3.44Å; F216-P267 HydrophobicContact CE1-CB 4.19Å; F216-A268 HydrophobicContact CE1-CB 3.95Å; F216-A268 HydrophobicContact CZ-CB 3.84Å
217G75.2Confident69.1Low14 Ų1446.8 Ų46.814%0.14425%0.245CC..THydrogen-bonded Turntrans80.917.5-179.500000114.7E213 T214 L215 S219E213-G217 PolarHBondContact O-N 3.36Å; E213-G217 VanDerWaalsContact O-N 3.16Å; T214-G217 PolarHBondContact O-N 3.38Å; T214-G217 VanDerWaalsContact O-N 3.07Å; L215-G217 VanDerWaalsContact C-N 3.29Å; G217-S219 PolarHBondContact O-N 2.66Å
218H68.8Low66.6Low92 Ų9250.5 Ų50.543%0.42626%0.264SS..  trans-71.2101.6171.5-61.8-63000109.1E213 F216 R368E213-H218 HydrophobicContact CB-CB 4.39Å; E213-H218 PolarHBondContact O-N 2.8Å; F216-H218 VanDerWaalsContact CB-CD2 3.41Å; F216-H218 WeakPolarHBondContact CB-CD2 3.44Å; H218-R368 PolarHBondContact O-NH2 2.95Å
219S60Low63.8Low8 Ų859.9 Ų59.96%0.05631%0.306CS..  trans-91.1144.9167.1-175.80000110.5G217 S221 N222 R367 E403G217-S219 PolarHBondContact O-N 2.66Å; S219-S221 PolarHBondContact O-N 2.85Å; S219-S221 PolarHBondContact OG-OG 3.21Å; S219-N222 WeakPolarHBondContact O-CB 3.34Å; S219-N222 PolarHBondContact O-N 3.2Å; S219-N222 VanDerWaalsContact O-N 3.09Å; S219-R367 PolarHBondContact OG-NH2 2.84Å; S219-E403 PolarHBondContact OG-OE1 3.12Å
220M54.2Low60.8Low21 Ų2165.3 Ų65.310%0.10333%0.33CS..G310 helixtrans-64.7-28.9179.2-153.7110.988.700112.4Y156 L163 C188 R189 N222 W223 E403Y156-M220 HydrophobicContact CD1-CE 3.32Å; Y156-M220 HydrophobicContact CD2-CE 4.15Å; Y156-M220 HydrophobicContact CE1-CE 2.96Å; Y156-M220 HydrophobicContact CE2-CE 3.83Å; Y156-M220 HydrophobicContact CG-CE 3.92Å; Y156-M220 WeakPolarHBondContact OH-CB 3.5Å; L163-M220 HydrophobicContact CD2-CE 3.35Å; L163-M220 HydrophobicContact CD2-SD 3.9Å; L163-M220 HydrophobicContact CG-CE 4.01Å; C188-M220 HydrophobicContact CB-CE 3.99Å; R189-M220 HydrophobicContact CG-SD 4.27Å; R189-M220 PolarHBondContact NE-SD 3.48Å; M220-N222 PolarHBondContact O-N 3.29Å; M220-N222 VanDerWaalsContact O-N 3.1Å; M220-W223 WeakPolarHBondContact O-CB 3.34Å; M220-W223 PolarHBondContact O-N 2.91Å; M220-E403 PolarHBondContact N-OE1 3.41Å
221S51.3Low58.1Low58 Ų5871.5 Ų71.541%0.40637%0.371SS..G310 helixtrans-57.1-24.417459.10000113.4S219S219-S221 PolarHBondContact O-N 2.85Å; S219-S221 PolarHBondContact OG-OG 3.21Å
222N48.6Very low55.3Low80 Ų8075.1 Ų75.143%0.42840%0.396SS..G310 helixtrans-82.5-13.6176.2-68.8-21000113.5S219 M220S219-N222 WeakPolarHBondContact O-CB 3.34Å; S219-N222 PolarHBondContact O-N 3.2Å; S219-N222 VanDerWaalsContact O-N 3.09Å; M220-N222 PolarHBondContact O-N 3.29Å; M220-N222 VanDerWaalsContact O-N 3.1Å
223W44.4Very low52.8Low80 Ų8081.9 Ų81.930%0.30343%0.426SS..THydrogen-bonded Turntrans-85.4-31.2-174.4-157.6-54.1000113.3R189 M220 C225 L228R189-W223 VanDerWaalsContact CZ-CZ3 3.45Å; M220-W223 WeakPolarHBondContact O-CB 3.34Å; M220-W223 PolarHBondContact O-N 2.91Å; W223-C225 CarbonylContact O-C 3.28Å; W223-C225 VanDerWaalsContact O-C 3.28Å; W223-C225 PolarHBondContact O-N 2.93Å; W223-L228 HydrophobicContact CD2-CD1 4.12Å; W223-L228 HydrophobicContact CD2-CD2 4.43Å; W223-L228 HydrophobicContact CE3-CD1 4.4Å; W223-L228 HydrophobicContact CE3-CD2 4.08Å; W223-L228 HydrophobicContact CH2-CD1 3.99Å; W223-L228 HydrophobicContact CZ2-CD1 3.7Å; W223-L228 HydrophobicContact CZ3-CD1 4.29Å; W223-L228 HydrophobicContact CZ3-CD2 4.08Å
224C38.9Very low50.4Low134 Ų13487 Ų8791%0.90546%0.458SS*.THydrogen-bonded Turntrans-56.1-18.2169.7-97.10000112.6
225C32.7Very low48.2Very low54 Ų5490.5 Ų90.537%0.36547%0.471SS..THydrogen-bonded Turntrans-100.4114.1163.2-50.80000107.8W223 R227W223-C225 CarbonylContact O-C 3.28Å; W223-C225 VanDerWaalsContact O-C 3.28Å; W223-C225 PolarHBondContact O-N 2.93Å; C225-R227 PolarHBondContact O-N 3.33Å
226N33.1Very low46.3Very low157 Ų15793 Ų9384%0.8449%0.489SS*.THydrogen-bonded Turntrans-58.970.2173.6-89.4-22.8000113.2
227R37.3Very low44.5Very low171 Ų17192.9 Ų92.965%0.64550%0.499SS*.  trans-12730.4-173.2-94.2-166.3-76.8-148-4.4112.7C225 F229 H230C225-R227 PolarHBondContact O-N 3.33Å; R227-F229 PolarHBondContact O-N 2.93Å; R227-H230 HydrophobicContact CG-CB 4.48Å
228L41.4Very low43.3Very low78 Ų78100.9 Ų100.941%0.40853%0.529SS..THydrogen-bonded Turntrans-65.7-18.9-179.7-75164.9000114.2W223W223-L228 HydrophobicContact CD2-CD1 4.12Å; W223-L228 HydrophobicContact CD2-CD2 4.43Å; W223-L228 HydrophobicContact CE3-CD1 4.4Å; W223-L228 HydrophobicContact CE3-CD2 4.08Å; W223-L228 HydrophobicContact CH2-CD1 3.99Å; W223-L228 HydrophobicContact CZ2-CD1 3.7Å; W223-L228 HydrophobicContact CZ3-CD1 4.29Å; W223-L228 HydrophobicContact CZ3-CD2 4.08Å
229F34Very low43.1Very low198 Ų198101 Ų10187%0.86853%0.53SS*.THydrogen-bonded Turntrans-135.132.2-175.8-66.1-79.6000113.7R227 P231R227-F229 PolarHBondContact O-N 2.93Å; F229-P231 WeakPolarHBondContact O-CD 3.44Å
230H30.9Very low43.8Very low113 Ų113104.7 Ų104.752%0.52354%0.543SS..  trans-90115.2172.5-149.7-86.6000110R227 S232 F233R227-H230 HydrophobicContact CG-CB 4.48Å; H230-S232 PolarHBondContact CE1-OG 3.05Å; H230-S232 WeakPolarHBondContact ND1-CB 3.4Å; H230-S232 PolarHBondContact ND1-OG 3.17Å; H230-S232 PolarHBondContact O-N 2.97Å; H230-F233 PolarHBondContact O-N 3.39Å
231P36.3Very low45.4Very low130 Ų130104.8 Ų104.884%0.84454%0.543SS*.THydrogen-bonded Turntrans-64.85-179.123.9-31.5000114.5F229F229-P231 WeakPolarHBondContact O-CD 3.44Å
232S33.3Very low47.3Very low76 Ų76102.3 Ų102.353%0.53153%0.526SS..THydrogen-bonded Turntrans-100.75.8177.479.40000114.8H230 T234H230-S232 PolarHBondContact CE1-OG 3.05Å; H230-S232 WeakPolarHBondContact ND1-CB 3.4Å; H230-S232 PolarHBondContact ND1-OG 3.17Å; H230-S232 PolarHBondContact O-N 2.97Å; S232-T234 PolarHBondContact O-N 3.4Å
233F39.8Very low49.5Very low144 Ų14498.5 Ų98.563%0.63251%0.505SS*.  trans-77.581.8163.7-167.5-98.5000108.4H230 R235H230-F233 PolarHBondContact O-N 3.39Å; F233-R235 PolarHBondContact O-N 2.87Å
234T36.7Very low52Low124 Ų12494.7 Ų94.776%0.76149%0.491SS*.  trans-69.9100.5174.552.20000108.4S232 S236S232-T234 PolarHBondContact O-N 3.4Å; T234-S236 PolarHBondContact O-N 3.07Å
235R44.7Very low54.8Low76 Ų7688.3 Ų88.329%0.28745%0.448SS..  trans-56.2123.7170.8-171.1-176.581.3146.5-2.3108.9F233 S237 L273F233-R235 PolarHBondContact O-N 2.87Å; R235-S237 PolarHBondContact O-N 2.83Å; R235-L273 VanDerWaalsContact CZ-CD1 3.5Å
236S46.6Very low57.9Low62 Ų6285.9 Ų85.943%0.43443%0.431SS..  trans-64.8121.3162177.70000107.7T234 K238 E239T234-S236 PolarHBondContact O-N 3.07Å; S236-K238 PolarHBondContact O-N 3.3Å; S236-E239 PolarHBondContact O-N 3.42Å; S236-E239 VanDerWaalsContact O-N 3.16Å
237S45.7Very low60.9Low80 Ų8078.7 Ų78.756%0.55939%0.393SS*.THydrogen-bonded Turntrans-54.2-13.2177.252.70000113.8R235R235-S237 PolarHBondContact O-N 2.83Å
238K50.5Low63.7Low182 Ų18271.1 Ų71.179%0.79137%0.365SS*.THydrogen-bonded Turntrans-85-18-179.2-67.8-176.6177.5178.40115.3S236 R240S236-K238 PolarHBondContact O-N 3.3Å; K238-R240 PolarHBondContact O-N 2.98Å
239E63.9Low66.3Low95 Ų9569.5 Ų69.544%0.44436%0.359SS..  trans-85.297.8-174.9-71.5-175.6-172.600112.2S236 F241S236-E239 PolarHBondContact O-N 3.42Å; S236-E239 VanDerWaalsContact O-N 3.16Å; E239-F241 HydrophobicContact CB-CE2 4.37Å; E239-F241 HydrophobicContact CB-CZ 4.19Å; E239-F241 WeakPolarHBondContact OE2-CZ 3.44Å
240R75.6Confident69.1Low86 Ų8663.6 Ų63.633%0.32533%0.333SS..  trans-94.1103.1172.6-66.4-177.1178.7-176.4-2.7109.9K238 R395K238-R240 PolarHBondContact O-N 2.98Å; R240-R395 VanDerWaalsContact O-CZ 3.24Å; R240-R395 PolarHBondContact O-NH1 2.64Å; R240-R395 PolarHBondContact O-NH2 2.96Å
241F87.4Confident72.1Confident23 Ų2360.8 Ų60.810%0.10133%0.329CS..  trans-76.3144.1172.9-59.8-65.1000111.6T214 E239 R367T214-F241 HydrophobicContact CG2-CB 4.49Å; T214-F241 WeakPolarHBondContact O-CB 3.38Å; E239-F241 HydrophobicContact CB-CE2 4.37Å; E239-F241 HydrophobicContact CB-CZ 4.19Å; E239-F241 WeakPolarHBondContact OE2-CZ 3.44Å; F241-R367 HydrophobicContact CB-CB 4.27Å; F241-R367 HydrophobicContact CB-CG 4.4Å; F241-R367 HydrophobicContact CD1-CB 4Å; F241-R367 HydrophobicContact CD1-CG 3.65Å; F241-R367 HydrophobicContact CE1-CG 4.39Å; F241-R367 HydrophobicContact CG-CG 4.34Å
242S91.8Very high74.8Confident6 Ų658 Ų584%0.04231%0.305CS..  trans-127150.8-179.367.80000111.3Y344 R350 A366 R367 R368S242-Y344 WeakPolarHBondContact CB-OH 3.3Å; S242-Y344 PolarHBondContact OG-OH 3.47Å; S242-R350 CarbonylContact C-O 3.46Å; S242-R350 VanDerWaalsContact CA-O 3.25Å; S242-R350 WeakPolarHBondContact CA-O 3.4Å; S242-A366 WeakPolarHBondContact OG-CA 3.5Å; S242-R367 WeakPolarHBondContact O-CB 2.86Å; S242-R367 PolarHBondContact O-N 2.98Å; S242-R368 PolarHBondContact O-N 3.24Å
243C95.2Very high77.8Confident0 Ų054.4 Ų54.40%028%0.28CS..EExtended strand (participates in β ladder)trans-127.1135.5-177.4-166.90000110.4T214 R350 V351 L352 R368T214-C243 HydrophobicContact CG2-CB 3.99Å; C243-R350 PolarHBondContact N-O 3.35Å; C243-V351 HydrophobicContact CB-CG2 4.39Å; C243-V351 WeakPolarHBondContact O-CA 3.21Å; C243-L352 PolarHBondContact O-N 3.48Å; C243-L352 VanDerWaalsContact O-N 3.09Å; C243-R368 WeakPolarHBondContact CA-O 3.16Å
244L97.1Very high80.4Confident0 Ų050.3 Ų50.30%026%0.263CS..EExtended strand (participates in β ladder)trans-104.8136.5164.6-66.9175.1000109.2Y344 L352 L358 L364 A366 R368 V369 I370 R392L244-Y344 HydrophobicContact CD2-CE1 4.47Å; L244-Y344 HydrophobicContact CD2-CE2 4.08Å; L244-L352 HydrophobicContact CD2-CB 3.76Å; L244-L352 HydrophobicContact CD2-CD2 4.19Å; L244-L358 HydrophobicContact CD1-CD2 4.14Å; L244-L358 HydrophobicContact CD2-CD2 3.89Å; L244-L364 WeakPolarHBondContact CD1-O 3.32Å; L244-A366 HydrophobicContact CB-CB 4.33Å; L244-A366 HydrophobicContact CD1-CB 3.89Å; L244-A366 HydrophobicContact CG-CB 3.61Å; L244-R368 PolarHBondContact N-O 3.29Å; L244-V369 HydrophobicContact CB-CG2 4.32Å; L244-V369 HydrophobicContact CD1-CG2 4.4Å; L244-V369 CarbonylContact O-C 3.47Å; L244-I370 PolarHBondContact O-N 2.97Å; L244-R392 HydrophobicContact CD1-CB 3.98Å
245V97.6Very high83.2Confident0 Ų049.5 Ų49.50%025%0.254CS..EExtended strand (participates in β ladder)trans-121102176.7-176.40000109.1L207 V211 C247 T256 L260 V351 L352 C353 C354 I370 R372L207-V245 HydrophobicContact CD1-CG1 4.01Å; L207-V245 HydrophobicContact CD1-CG2 4.47Å; L207-V245 HydrophobicContact CD2-CG1 4.07Å; V211-V245 HydrophobicContact CG2-CG2 4.04Å; V245-C247 PolarHBondContact O-N 2.95Å; V245-T256 HydrophobicContact CG1-CG2 4.21Å; V245-L260 HydrophobicContact CG2-CD1 4.47Å; V245-V351 HydrophobicContact CG2-CG1 4.21Å; V245-L352 PolarHBondContact N-O 3Å; V245-C353 CarbonylContact O-C 3.58Å; V245-C353 VanDerWaalsContact O-CA 3.31Å; V245-C353 WeakPolarHBondContact O-CA 3.22Å; V245-C354 PolarHBondContact O-N 3.14Å; V245-I370 CarbonylContact C-O 3.56Å; V245-I370 WeakPolarHBondContact CA-O 3.49Å; V245-I370 HydrophobicContact CG2-CB 4.46Å; V245-R372 HydrophobicContact CG1-CB 4.36Å
246F97.2Very high85.7Confident3 Ų345.9 Ų45.91%0.01324%0.24CC..EExtended strand (participates in β ladder)trans-75.2123.6175.2-74.6-76.6000111C354 L358 A359 V369 I370 I371 R372 M389F246-C354 CarbonylContact C-O 3.53Å; F246-C354 VanDerWaalsContact CA-O 3.29Å; F246-C354 WeakPolarHBondContact CA-O 3.34Å; F246-C354 VanDerWaalsContact CD1-SG 3.57Å; F246-C354 VanDerWaalsContact CE1-SG 3.55Å; F246-L358 HydrophobicContact CE1-CB 4.27Å; F246-A359 HydrophobicContact CE1-CB 4.04Å; F246-A359 HydrophobicContact CZ-CB 3.99Å; F246-V369 HydrophobicContact CD2-CG1 3.56Å; F246-V369 HydrophobicContact CE2-CG1 3.59Å; F246-I370 PolarHBondContact N-O 3.22Å; F246-I371 HydrophobicContact CB-CG1 4.29Å; F246-I371 HydrophobicContact CD2-CG1 4.4Å; F246-R372 WeakPolarHBondContact O-CB 3.38Å; F246-R372 PolarHBondContact O-N 3.48Å; F246-M389 HydrophobicContact CB-SD 4.08Å; F246-M389 HydrophobicContact CD1-CE 4.04Å; F246-M389 HydrophobicContact CD1-CG 3.95Å; F246-M389 HydrophobicContact CD1-SD 4.08Å; F246-M389 HydrophobicContact CD2-CB 3.86Å; F246-M389 HydrophobicContact CD2-CG 3.92Å; F246-M389 HydrophobicContact CD2-SD 4.21Å; F246-M389 HydrophobicContact CE1-CG 3.9Å; F246-M389 HydrophobicContact CE2-CB 3.69Å; F246-M389 HydrophobicContact CE2-CG 3.87Å; F246-M389 HydrophobicContact CG-CB 4.4Å; F246-M389 HydrophobicContact CG-CE 4.35Å; F246-M389 HydrophobicContact CG-CG 3.96Å; F246-M389 HydrophobicContact CG-SD 3.86Å; F246-M389 HydrophobicContact CZ-CB 4.08Å; F246-M389 HydrophobicContact CZ-CG 3.86Å
247C96.6Very high88.1Confident5 Ų543 Ų433%0.03422%0.219CC..  trans-117.5149.8179.5-62.90000110.2V245 T249 H252 C253 C354V245-C247 PolarHBondContact O-N 2.95Å; C247-T249 PolarHBondContact O-N 3.17Å; C247-H252 HydrophobicContact CB-CB 4.1Å; C247-C253 HydrophobicContact CB-CB 4.37Å; C247-C253 VanDerWaalsContact CB-SG 3.53Å; C247-C354 PolarHBondContact N-O 2.97Å
248P95.2Very high90.5Very high12 Ų1243.5 Ų43.58%0.07821%0.211CC..SBendtrans-72.4-31.8-171.827.6-36.2000113.9H252 K373 Y375 G377P248-H252 HydrophobicContact CG-CB 4.16Å; P248-K373 HydrophobicContact CG-CB 4.28Å; P248-K373 HydrophobicContact CG-CD 4.39Å; P248-Y375 WeakPolarHBondContact CA-O 3.05Å; P248-Y375 WeakPolarHBondContact CB-O 3.28Å; P248-G377 PolarHBondContact O-N 2.82Å
249T95.5Very high92.6Very high45 Ų4535.3 Ų35.328%0.27618%0.176SC..SBendtrans-134.6162.9-178.480.10000111.9C247 A251 H252 C253C247-T249 PolarHBondContact O-N 3.17Å; T249-A251 PolarHBondContact O-N 3.22Å; T249-H252 WeakPolarHBondContact O-CB 3.38Å; T249-H252 PolarHBondContact O-N 3.06Å; T249-H252 VanDerWaalsContact O-N 3.15Å; T249-H252 PolarHBondContact OG1-N 3.32Å; T249-H252 PolarHBondContact OG1-ND1 3.39Å; T249-C253 PolarHBondContact O-N 3.41Å; T249-C253 PolarHBondContact O-SG 3.19Å
250K93.2Very high94.2Very high74 Ų7430.8 Ų30.832%0.32216%0.155SC..Hα-helixtrans-55.5-50.4175.6-58.8178.4-174.6179.20111.5H252 C253 E254 H329 S330K250-H252 VanDerWaalsContact C-N 3.29Å; K250-H252 PolarHBondContact O-N 2.86Å; K250-C253 WeakPolarHBondContact O-CA 3.37Å; K250-C253 VanDerWaalsContact O-CB 3.27Å; K250-C253 WeakPolarHBondContact O-CB 3.37Å; K250-C253 PolarHBondContact O-N 3.49Å; K250-E254 PolarHBondContact O-N 2.81Å; K250-E254 VanDerWaalsContact O-N 3.09Å; K250-H329 HydrophobicContact CG-CB 4.14Å; K250-S330 WeakPolarHBondContact CE-OG 3.36Å; K250-S330 PolarHBondContact NZ-OG 3.35Å; K250-S330 VanDerWaalsContact NZ-OG 3.11Å
251A93.5Very high95.1Very high53 Ų5326.9 Ų26.944%0.43814%0.141SC..Hα-helixtrans-59.5-38.3176.800000112.4T249 N255T249-A251 PolarHBondContact O-N 3.22Å; A251-N255 WeakPolarHBondContact O-CB 3.44Å; A251-N255 VanDerWaalsContact O-CG 3.28Å; A251-N255 PolarHBondContact O-N 2.93Å; A251-N255 PolarHBondContact O-ND2 3.3Å; A251-N255 VanDerWaalsContact O-ND2 3.16Å
252H94.5Very high95.4Very high73 Ų7329 Ų2934%0.33815%0.152SC..Hα-helixtrans-65.3-39.1173.6-79.277.8000111.9C247 P248 T249 K250 T256C247-H252 HydrophobicContact CB-CB 4.1Å; P248-H252 HydrophobicContact CG-CB 4.16Å; T249-H252 WeakPolarHBondContact O-CB 3.38Å; T249-H252 PolarHBondContact O-N 3.06Å; T249-H252 VanDerWaalsContact O-N 3.15Å; T249-H252 PolarHBondContact OG1-N 3.32Å; T249-H252 PolarHBondContact OG1-ND1 3.39Å; K250-H252 VanDerWaalsContact C-N 3.29Å; K250-H252 PolarHBondContact O-N 2.86Å; H252-T256 WeakPolarHBondContact O-CB 3.43Å; H252-T256 PolarHBondContact O-N 3.48Å; H252-T256 PolarHBondContact O-OG1 2.96Å
253C94.9Very high95.4Very high0 Ų030 Ų300%016%0.156CC..Hα-helixtrans-58.1-51.2176.1-62.20000111.2C247 T249 K250 T256 A257 C353 T355C247-C253 HydrophobicContact CB-CB 4.37Å; C247-C253 VanDerWaalsContact CB-SG 3.53Å; T249-C253 PolarHBondContact O-N 3.41Å; T249-C253 PolarHBondContact O-SG 3.19Å; K250-C253 WeakPolarHBondContact O-CA 3.37Å; K250-C253 VanDerWaalsContact O-CB 3.27Å; K250-C253 WeakPolarHBondContact O-CB 3.37Å; K250-C253 PolarHBondContact O-N 3.49Å; C253-T256 PolarHBondContact O-N 2.93Å; C253-A257 WeakPolarHBondContact O-CB 3.34Å; C253-A257 PolarHBondContact O-N 3.14Å; C253-C353 HydrophobicContact CB-CB 4.49Å; C253-T355 WeakPolarHBondContact SG-CG2 3.34Å
254E95.8Very high95.2Very high58 Ų5830.6 Ų30.627%0.27116%0.159SC..Hα-helixtrans-61.5-49.9-178.3-66.6178.4-15600111.4K250 T256 A257 K258 V316 Y327 H329K250-E254 PolarHBondContact O-N 2.81Å; K250-E254 VanDerWaalsContact O-N 3.09Å; E254-T256 VanDerWaalsContact C-N 3.31Å; E254-T256 PolarHBondContact O-N 3.47Å; E254-A257 PolarHBondContact O-N 2.76Å; E254-K258 PolarHBondContact O-N 3.05Å; E254-V316 HydrophobicContact CB-CG1 4.39Å; E254-V316 HydrophobicContact CB-CG2 4.4Å; E254-Y327 HydrophobicContact CG-CD1 4.15Å; E254-Y327 HydrophobicContact CG-CD2 4.04Å; E254-Y327 HydrophobicContact CG-CE1 3.97Å; E254-Y327 HydrophobicContact CG-CE2 3.84Å; E254-Y327 HydrophobicContact CG-CG 4.18Å; E254-H329 IonicContact OE1-CE1 3.31Å; E254-H329 PolarHBondContact OE1-CE1 2.91Å; E254-H329 VanDerWaalsContact OE1-CE1 3.29Å; E254-H329 IonicContact OE1-NE2 3.79Å; E254-H329 PolarHBondContact OE1-NE2 3.19Å; E254-H329 VanDerWaalsContact OE1-NE2 3.14Å
255N95.7Very high94.7Very high107 Ų10732.5 Ų32.557%0.57217%0.172SC*.Hα-helixtrans-63.3-36.6178-72.1-29.6000112.4A251 M259A251-N255 WeakPolarHBondContact O-CB 3.44Å; A251-N255 VanDerWaalsContact O-CG 3.28Å; A251-N255 PolarHBondContact O-N 2.93Å; A251-N255 PolarHBondContact O-ND2 3.3Å; A251-N255 VanDerWaalsContact O-ND2 3.16Å; N255-M259 VanDerWaalsContact O-CB 3.31Å; N255-M259 WeakPolarHBondContact O-CB 3.21Å; N255-M259 PolarHBondContact O-N 3.5Å
256T96.4Very high94.1Very high0 Ų037.6 Ų37.60%020%0.198CC..Hα-helixtrans-67.4-46.2177.2-57.80000111L207 V245 H252 C253 E254 K258 M259 L260 R372L207-T256 HydrophobicContact CD2-CG2 3.37Å; V245-T256 HydrophobicContact CG1-CG2 4.21Å; H252-T256 WeakPolarHBondContact O-CB 3.43Å; H252-T256 PolarHBondContact O-N 3.48Å; H252-T256 PolarHBondContact O-OG1 2.96Å; C253-T256 PolarHBondContact O-N 2.93Å; E254-T256 VanDerWaalsContact C-N 3.31Å; E254-T256 PolarHBondContact O-N 3.47Å; T256-K258 VanDerWaalsContact C-N 3.32Å; T256-K258 PolarHBondContact O-N 3.43Å; T256-M259 PolarHBondContact O-N 3.31Å; T256-L260 HydrophobicContact CG2-CD1 4.07Å; T256-L260 HydrophobicContact CG2-CG 4.4Å; T256-L260 WeakPolarHBondContact O-CB 3.42Å; T256-L260 WeakPolarHBondContact O-CG 3.29Å; T256-L260 PolarHBondContact O-N 2.92Å; T256-R372 PolarHBondContact OG1-NH1 3.01Å
257A97Very high93.4Very high0 Ų040.7 Ų40.70%022%0.218CC..Hα-helixtrans-59.4-44.8176.600000111.4C253 E254 L260 A261 T320 I325 Y327 C353C253-A257 WeakPolarHBondContact O-CB 3.34Å; C253-A257 PolarHBondContact O-N 3.14Å; E254-A257 PolarHBondContact O-N 2.76Å; A257-L260 PolarHBondContact O-N 3.06Å; A257-A261 WeakPolarHBondContact O-CB 3.44Å; A257-A261 PolarHBondContact O-N 2.89Å; A257-T320 HydrophobicContact CB-CG2 4.06Å; A257-T320 WeakPolarHBondContact O-CG2 3.49Å; A257-I325 HydrophobicContact CB-CG2 4.15Å; A257-Y327 HydrophobicContact CB-CD1 4.33Å; A257-C353 HydrophobicContact CB-CB 4.13Å
258K96.1Very high92.7Very high91 Ų9140.5 Ų40.540%0.39622%0.217SC..Hα-helixtrans-60.4-48.9175.6-173.6173178.8176.50112.1E254 T256 L260 A261 E262 V316E254-K258 PolarHBondContact O-N 3.05Å; T256-K258 VanDerWaalsContact C-N 3.32Å; T256-K258 PolarHBondContact O-N 3.43Å; K258-L260 VanDerWaalsContact C-N 3.35Å; K258-L260 PolarHBondContact O-N 3.21Å; K258-A261 PolarHBondContact O-N 3.3Å; K258-E262 WeakPolarHBondContact CE-OE1 3.49Å; K258-E262 WeakPolarHBondContact CG-OE1 3.25Å; K258-E262 WeakPolarHBondContact O-CG 3.4Å; K258-E262 PolarHBondContact O-N 2.94Å; K258-V316 HydrophobicContact CB-CG1 4.31Å
259M95.4Very high92.2Very high11 Ų1140.1 Ų40.15%0.05421%0.214CC..Hα-helixtrans-58.2-46.1177.9178.9-81-77.500111.7D203 L207 V208 N255 T256 A261 E262 L263D203-M259 HydrophobicContact CB-CE 4.3Å; D203-M259 HydrophobicContact CB-SD 4.18Å; L207-M259 HydrophobicContact CB-CE 4.27Å; L207-M259 HydrophobicContact CD2-CE 3.94Å; V208-M259 HydrophobicContact CG2-CE 4.29Å; V208-M259 HydrophobicContact CG2-SD 3.47Å; V208-M259 WeakPolarHBondContact CG2-SD 3.43Å; N255-M259 VanDerWaalsContact O-CB 3.31Å; N255-M259 WeakPolarHBondContact O-CB 3.21Å; N255-M259 PolarHBondContact O-N 3.5Å; T256-M259 PolarHBondContact O-N 3.31Å; M259-A261 VanDerWaalsContact C-N 3.35Å; M259-A261 PolarHBondContact O-N 3.34Å; M259-E262 PolarHBondContact O-N 3.06Å; M259-L263 HydrophobicContact CG-CD1 3.93Å; M259-L263 HydrophobicContact CG-CG 4.45Å; M259-L263 WeakPolarHBondContact O-CB 3.43Å; M259-L263 WeakPolarHBondContact O-CG 3.5Å; M259-L263 PolarHBondContact O-N 3.37Å; M259-L263 HydrophobicContact SD-CB 4.49Å; M259-L263 HydrophobicContact SD-CD1 3.77Å; M259-L263 HydrophobicContact SD-CG 4.35Å
260L95.9Very high91.4Very high0 Ų039.1 Ų39.10%021%0.206CC..Hα-helixtrans-61.4-42.7177.5-73174.2000111.7L207 V208 V211 V245 T256 A257 K258 E262 L263 L264 I325 V351L207-L260 HydrophobicContact CD2-CD1 4.45Å; L207-L260 HydrophobicContact CD2-CD2 4.38Å; L207-L260 HydrophobicContact CG-CD2 4.21Å; V208-L260 HydrophobicContact CG2-CD2 4.02Å; V211-L260 HydrophobicContact CB-CD2 4.26Å; V211-L260 HydrophobicContact CG2-CD1 4.3Å; V211-L260 HydrophobicContact CG2-CD2 4.05Å; V245-L260 HydrophobicContact CG2-CD1 4.47Å; T256-L260 HydrophobicContact CG2-CD1 4.07Å; T256-L260 HydrophobicContact CG2-CG 4.4Å; T256-L260 WeakPolarHBondContact O-CB 3.42Å; T256-L260 WeakPolarHBondContact O-CG 3.29Å; T256-L260 PolarHBondContact O-N 2.92Å; A257-L260 PolarHBondContact O-N 3.06Å; K258-L260 VanDerWaalsContact C-N 3.35Å; K258-L260 PolarHBondContact O-N 3.21Å; L260-E262 VanDerWaalsContact C-N 3.27Å; L260-E262 PolarHBondContact O-N 3.28Å; L260-L263 PolarHBondContact O-N 2.96Å; L260-L264 HydrophobicContact CB-CD1 4Å; L260-L264 HydrophobicContact CD2-CD1 4.32Å; L260-L264 HydrophobicContact CD2-CG 4.43Å; L260-L264 WeakPolarHBondContact O-CB 3.49Å; L260-L264 WeakPolarHBondContact O-CD1 3.49Å; L260-L264 VanDerWaalsContact O-CG 3.25Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 3.2Å; L260-I325 HydrophobicContact CB-CD1 4.2Å; L260-I325 HydrophobicContact CB-CG2 4.37Å; L260-V351 HydrophobicContact CD1-CG1 4.03Å
261A94.4Very high90.3Very high4 Ų437.1 Ų37.13%0.03320%0.201CC..Hα-helixtrans-65.3-29.7178.400000113.5A257 K258 M259 Y319 T320 K323 I325A257-A261 WeakPolarHBondContact O-CB 3.44Å; A257-A261 PolarHBondContact O-N 2.89Å; K258-A261 PolarHBondContact O-N 3.3Å; M259-A261 VanDerWaalsContact C-N 3.35Å; M259-A261 PolarHBondContact O-N 3.34Å; A261-Y319 HydrophobicContact CB-CD1 3.87Å; A261-Y319 HydrophobicContact CB-CE1 3.77Å; A261-T320 HydrophobicContact CB-CG2 3.8Å; A261-K323 HydrophobicContact CB-CB 4.25Å; A261-K323 HydrophobicContact CB-CG 4.19Å; A261-I325 VanDerWaalsContact CA-CD1 3.47Å; A261-I325 HydrophobicContact CB-CD1 3.92Å
262E93.4Very high88.7Confident68 Ų6839.1 Ų39.132%0.31820%0.201SC..Hα-helixtrans-81.2-33.5177.7-70.7178.6-160.400113.2R202 K258 M259 L260 Y319R202-E262 IonicContact CZ-OE2 3.53Å; R202-E262 IonicContact NH1-OE2 2.91Å; R202-E262 PolarHBondContact NH1-OE2 3.37Å; R202-E262 IonicContact NH2-OE2 3.82Å; R202-E262 PolarHBondContact NH2-OE2 2.61Å; K258-E262 WeakPolarHBondContact CE-OE1 3.49Å; K258-E262 WeakPolarHBondContact CG-OE1 3.25Å; K258-E262 WeakPolarHBondContact O-CG 3.4Å; K258-E262 PolarHBondContact O-N 2.94Å; M259-E262 PolarHBondContact O-N 3.06Å; L260-E262 VanDerWaalsContact C-N 3.27Å; L260-E262 PolarHBondContact O-N 3.28Å; E262-Y319 HydrophobicContact CB-CE1 4.44Å; E262-Y319 HydrophobicContact CG-CD1 4.44Å; E262-Y319 HydrophobicContact CG-CE1 3.4Å; E262-Y319 VanDerWaalsContact CG-CE1 3.4Å; E262-Y319 WeakPolarHBondContact CG-OH 3.4Å
263L92.7Very high86.6Confident26 Ų2640.2 Ų40.214%0.13621%0.209CC..Hα-helixtrans-106.7-18.3-169.2-61.5-170.9000114.7M199 R202 D203 V208 M259 L260M199-L263 HydrophobicContact CE-CB 4.42Å; M199-L263 HydrophobicContact CG-CD2 4.14Å; R202-L263 HydrophobicContact CB-CD1 4.1Å; D203-L263 HydrophobicContact CB-CD1 4.27Å; V208-L263 HydrophobicContact CG1-CB 4.32Å; V208-L263 HydrophobicContact CG2-CB 3.72Å; V208-L263 HydrophobicContact CG2-CD1 4.17Å; M259-L263 HydrophobicContact CG-CD1 3.93Å; M259-L263 HydrophobicContact CG-CG 4.45Å; M259-L263 WeakPolarHBondContact O-CB 3.43Å; M259-L263 WeakPolarHBondContact O-CG 3.5Å; M259-L263 PolarHBondContact O-N 3.37Å; M259-L263 HydrophobicContact SD-CB 4.49Å; M259-L263 HydrophobicContact SD-CD1 3.77Å; M259-L263 HydrophobicContact SD-CG 4.35Å; L260-L263 PolarHBondContact O-N 2.96Å
264L91.5Very high84.5Confident13 Ų1346.8 Ų46.87%0.06824%0.244CC..SBendtrans-66.8137.4179-82.9166.7000111.3V208 V211 A212 L215 L260 A268 I325V208-L264 HydrophobicContact CG1-CD2 3.95Å; V208-L264 HydrophobicContact CG1-CG 4.3Å; V211-L264 HydrophobicContact CB-CD2 4.38Å; V211-L264 HydrophobicContact CG1-CD1 3.94Å; V211-L264 HydrophobicContact CG1-CD2 4.08Å; A212-L264 HydrophobicContact CB-CD2 3.94Å; L215-L264 HydrophobicContact CD1-CD1 4.36Å; L260-L264 HydrophobicContact CB-CD1 4Å; L260-L264 HydrophobicContact CD2-CD1 4.32Å; L260-L264 HydrophobicContact CD2-CG 4.43Å; L260-L264 WeakPolarHBondContact O-CB 3.49Å; L260-L264 WeakPolarHBondContact O-CD1 3.49Å; L260-L264 VanDerWaalsContact O-CG 3.25Å; L260-L264 WeakPolarHBondContact O-CG 3.31Å; L260-L264 PolarHBondContact O-N 3.2Å; L264-A268 HydrophobicContact CD2-CB 4.49Å; L264-I325 HydrophobicContact CD1-CD1 3.54Å; L264-I325 HydrophobicContact CD1-CG1 4.24Å
265P86.3Confident82.4Confident40 Ų4051.7 Ų51.726%0.2627%0.272SS..  trans-57.1144.6174.7-24.133.3000112.3F193 P267 A268 C269F193-P265 HydrophobicContact CE2-CG 4.32Å; F193-P265 HydrophobicContact CZ-CG 3.96Å; P265-P267 VanDerWaalsContact C-CD 3.48Å; P265-P267 VanDerWaalsContact C-N 3.33Å; P265-A268 HydrophobicContact CB-CB 4.4Å; P265-A268 WeakPolarHBondContact O-CA 3.47Å; P265-A268 VanDerWaalsContact O-CB 3.32Å; P265-A268 WeakPolarHBondContact O-CB 3.42Å; P265-A268 PolarHBondContact O-N 3.18Å; P265-C269 PolarHBondContact O-N 3.4Å
266I84.6Confident80.4Confident106 Ų10655 Ų5554%0.54428%0.284SS..Hα-helixtrans-54.3-44.2176.9-58.5171.6000111.7A268 C269 F270I266-A268 PolarHBondContact O-N 3.16Å; I266-C269 WeakPolarHBondContact O-CA 3.23Å; I266-C269 WeakPolarHBondContact O-CB 3.47Å; I266-C269 PolarHBondContact O-N 2.72Å; I266-F270 HydrophobicContact CG2-CD2 4.01Å; I266-F270 PolarHBondContact O-N 2.8Å
267P81.9Confident78.5Confident69 Ų6956.4 Ų56.445%0.44829%0.291SS..Hα-helixtrans-61.8-27.3177.1-24.335.7000113.9F216 P265 F270F216-P267 HydrophobicContact CE1-CB 4.19Å; P265-P267 VanDerWaalsContact C-CD 3.48Å; P265-P267 VanDerWaalsContact C-N 3.33Å; P267-F270 CarbonylContact C-O 3.56Å; P267-F270 WeakPolarHBondContact CA-O 3.33Å; P267-F270 CarbonylContact O-C 3.36Å
268A82.5Confident76.5Confident0 Ų063.6 Ų63.60%032%0.32CS..Hα-helixtrans-73.5-31.4174.500000111.2L215 F216 L264 P265 I266 R350L215-A268 HydrophobicContact CB-CB 4.4Å; L215-A268 HydrophobicContact CD1-CB 4.14Å; F216-A268 HydrophobicContact CE1-CB 3.95Å; F216-A268 HydrophobicContact CZ-CB 3.84Å; L264-A268 HydrophobicContact CD2-CB 4.49Å; P265-A268 HydrophobicContact CB-CB 4.4Å; P265-A268 WeakPolarHBondContact O-CA 3.47Å; P265-A268 VanDerWaalsContact O-CB 3.32Å; P265-A268 WeakPolarHBondContact O-CB 3.42Å; P265-A268 PolarHBondContact O-N 3.18Å; I266-A268 PolarHBondContact O-N 3.16Å; A268-R350 VanDerWaalsContact O-CZ 3.25Å; A268-R350 PolarHBondContact O-NH1 3.42Å; A268-R350 PolarHBondContact O-NH2 3.24Å
269C84.3Confident74.6Confident4 Ų465 Ų653%0.02733%0.329CS..Hα-helixtrans-80.7-39178.2-59.80000112.8P265 I266 R288 R350P265-C269 PolarHBondContact O-N 3.4Å; I266-C269 WeakPolarHBondContact O-CA 3.23Å; I266-C269 WeakPolarHBondContact O-CB 3.47Å; I266-C269 PolarHBondContact O-N 2.72Å; C269-R288 PolarHBondContact O-NH1 3.33Å; C269-R288 PolarHBondContact O-NH2 3.37Å; C269-R288 VanDerWaalsContact O-NH2 3.12Å; C269-R350 VanDerWaalsContact C-NH2 3.26Å; C269-R350 PolarHBondContact O-NH2 2.97Å
270F80.2Confident73.5Confident24 Ų2467 Ų6711%0.10534%0.342CS..SBendtrans-127103.2178.5-55.4-80.7000108.6I266 P267 H272 E281 V285 P322 K323I266-F270 HydrophobicContact CG2-CD2 4.01Å; I266-F270 PolarHBondContact O-N 2.8Å; P267-F270 CarbonylContact C-O 3.56Å; P267-F270 WeakPolarHBondContact CA-O 3.33Å; P267-F270 CarbonylContact O-C 3.36Å; F270-H272 PolarHBondContact O-CD2 3.13Å; F270-H272 VanDerWaalsContact O-CD2 3.27Å; F270-H272 PolarHBondContact O-N 3.36Å; F270-E281 HydrophobicContact CB-CG 4.26Å; F270-E281 HydrophobicContact CD1-CG 3.86Å; F270-E281 HydrophobicContact CG-CG 4.38Å; F270-V285 HydrophobicContact CD1-CG2 4.4Å; F270-V285 HydrophobicContact CE1-CG2 3.72Å; F270-P322 WeakPolarHBondContact CZ-O 3.28Å; F270-K323 HydrophobicContact CE2-CD 4.48Å
271P69.4Low72.5Confident32 Ų3269 Ų6921%0.20835%0.351CS..  trans-72.999.9-18014.2-5000109.4
272H59.5Low71.8Confident95 Ų9573.7 Ų73.744%0.4437%0.371SS..  trans-91.6119.8171.7-49.1-82.8000109.2F270 E281F270-H272 PolarHBondContact O-CD2 3.13Å; F270-H272 VanDerWaalsContact O-CD2 3.27Å; F270-H272 PolarHBondContact O-N 3.36Å; H272-E281 IonicContact CE1-OE1 3.53Å; H272-E281 PolarHBondContact CE1-OE1 3.04Å; H272-E281 IonicContact CE1-OE2 2.74Å; H272-E281 PolarHBondContact CE1-OE2 3.47Å; H272-E281 IonicContact ND1-OE1 2.66Å; H272-E281 IonicContact ND1-OE2 3.87Å; H272-E281 PolarHBondContact ND1-OE2 3.36Å; H272-E281 IonicContact NE2-OE1 2.96Å
273L50.5Low71.3Confident96 Ų9674.2 Ų74.250%0.50338%0.376SS..  trans-138.6-1172.3-97.6161.9000116.8R235R235-L273 VanDerWaalsContact CZ-CD1 3.5Å
274N50.3Low71Confident139 Ų13973.2 Ų73.274%0.74337%0.371SS*.SBendtrans-178.3174.1162.5-84.8-27.3000111.1E276 D277N274-E276 VanDerWaalsContact C-N 3.27Å; N274-E276 PolarHBondContact O-N 2.88Å; N274-D277 WeakPolarHBondContact O-CB 3.36Å; N274-D277 PolarHBondContact O-N 2.88Å
275D52.7Low70.8Confident160 Ų16075.6 Ų75.686%0.85639%0.386SS*.G310 helixtrans-57.2-29.7-179.3-71.4-32.7000114.7D277 Y278D275-D277 PolarHBondContact O-N 3.31Å; D275-Y278 PolarHBondContact O-N 3.17Å
276E53Low70.9Confident178 Ų17878.6 Ų78.683%0.83240%0.396SS*.G310 helixtrans-65.4-21174.5-66.5-163.1163.100113.1N274N274-E276 VanDerWaalsContact C-N 3.27Å; N274-E276 PolarHBondContact O-N 2.88Å
277D56.1Low71.1Confident28 Ų2877.3 Ų77.315%0.1539%0.388CS..G310 helixtrans-86-9.7-179.4-77.6-31.5000113.9N274 D275 M279 T280 E281N274-D277 WeakPolarHBondContact O-CB 3.36Å; N274-D277 PolarHBondContact O-N 2.88Å; D275-D277 PolarHBondContact O-N 3.31Å; D277-M279 PolarHBondContact O-N 2.87Å; D277-T280 CarbonylContact O-C 3.46Å; D277-T280 WeakPolarHBondContact O-CA 3.45Å; D277-T280 VanDerWaalsContact O-CB 3.27Å; D277-T280 WeakPolarHBondContact O-CB 3.43Å; D277-T280 PolarHBondContact O-N 3.5Å; D277-E281 PolarHBondContact O-N 3.13Å
278Y55.7Low71.6Confident152 Ų15274.1 Ų74.160%0.59637%0.367SS*.Hα-helixtrans-58-39.3177.3-179.9-97.3000111.6D275 T280 E281 K282D275-Y278 PolarHBondContact O-N 3.17Å; Y278-T280 VanDerWaalsContact C-N 3.33Å; Y278-T280 PolarHBondContact O-N 2.82Å; Y278-E281 PolarHBondContact O-N 3.49Å; Y278-K282 WeakPolarHBondContact O-CB 3.18Å; Y278-K282 PolarHBondContact O-N 2.89Å
279M56.5Low71.9Confident120 Ų12076.8 Ų76.859%0.59139%0.386SS*.Hα-helixtrans-65.3-37173.5-66.7-61.6166.400111.6D277 N283D277-M279 PolarHBondContact O-N 2.87Å; M279-N283 VanDerWaalsContact O-CB 3.28Å; M279-N283 WeakPolarHBondContact O-CB 3.46Å; M279-N283 PolarHBondContact O-N 3.25Å; M279-N283 PolarHBondContact O-ND2 3.13Å
280T71.5Confident72Confident52 Ų5278.7 Ų78.732%0.31940%0.395SS..Hα-helixtrans-65.1-42.4176.8-52.70000111.9D277 Y278 L284D277-T280 CarbonylContact O-C 3.46Å; D277-T280 WeakPolarHBondContact O-CA 3.45Å; D277-T280 VanDerWaalsContact O-CB 3.27Å; D277-T280 WeakPolarHBondContact O-CB 3.43Å; D277-T280 PolarHBondContact O-N 3.5Å; Y278-T280 VanDerWaalsContact C-N 3.33Å; Y278-T280 PolarHBondContact O-N 2.82Å; T280-L284 WeakPolarHBondContact O-CG 3.49Å; T280-L284 PolarHBondContact O-N 2.99Å
281E74.8Confident72.4Confident42 Ų4278 Ų7820%0.19639%0.393CS..Hα-helixtrans-67-47.7177-175.3180-176.100111.9F270 H272 D277 Y278 N283 L284 V285F270-E281 HydrophobicContact CB-CG 4.26Å; F270-E281 HydrophobicContact CD1-CG 3.86Å; F270-E281 HydrophobicContact CG-CG 4.38Å; H272-E281 IonicContact CE1-OE1 3.53Å; H272-E281 PolarHBondContact CE1-OE1 3.04Å; H272-E281 IonicContact CE1-OE2 2.74Å; H272-E281 PolarHBondContact CE1-OE2 3.47Å; H272-E281 IonicContact ND1-OE1 2.66Å; H272-E281 IonicContact ND1-OE2 3.87Å; H272-E281 PolarHBondContact ND1-OE2 3.36Å; H272-E281 IonicContact NE2-OE1 2.96Å; D277-E281 PolarHBondContact O-N 3.13Å; Y278-E281 PolarHBondContact O-N 3.49Å; E281-N283 VanDerWaalsContact C-N 3.29Å; E281-N283 PolarHBondContact O-N 3.43Å; E281-L284 WeakPolarHBondContact O-CB 3.21Å; E281-L284 PolarHBondContact O-N 2.83Å; E281-V285 WeakPolarHBondContact O-CG2 3.38Å; E281-V285 PolarHBondContact O-N 3.32Å
282K80.3Confident73.3Confident103 Ų10377.5 Ų77.545%0.44839%0.388SS..Hα-helixtrans-56.5-46.4176.6-176.3179.4173.6-175.70111Y278 L284 V285 E286Y278-K282 WeakPolarHBondContact O-CB 3.18Å; Y278-K282 PolarHBondContact O-N 2.89Å; K282-L284 VanDerWaalsContact C-N 3.31Å; K282-L284 PolarHBondContact O-N 2.85Å; K282-V285 PolarHBondContact O-N 3Å; K282-E286 WeakPolarHBondContact CE-OE1 3.32Å; K282-E286 WeakPolarHBondContact O-CG 3.45Å; K282-E286 PolarHBondContact O-N 3.38Å
283N84Confident74.4Confident79 Ų7977.1 Ų77.142%0.42239%0.386SS..Hα-helixtrans-59.7-40175.4-71.2-21.8000112.1M279 E281 E286 Q287M279-N283 VanDerWaalsContact O-CB 3.28Å; M279-N283 WeakPolarHBondContact O-CB 3.46Å; M279-N283 PolarHBondContact O-N 3.25Å; M279-N283 PolarHBondContact O-ND2 3.13Å; E281-N283 VanDerWaalsContact C-N 3.29Å; E281-N283 PolarHBondContact O-N 3.43Å; N283-E286 PolarHBondContact O-N 2.86Å; N283-Q287 WeakPolarHBondContact O-CB 3.21Å; N283-Q287 WeakPolarHBondContact O-CG 3.49Å; N283-Q287 PolarHBondContact O-N 3.45Å
284L85.7Confident75.8Confident5 Ų574.5 Ų74.53%0.02637%0.373CS..Hα-helixtrans-66.3-40.8176.5-78.8170.9000112.4T280 E281 K282 Q287 R288T280-L284 WeakPolarHBondContact O-CG 3.49Å; T280-L284 PolarHBondContact O-N 2.99Å; E281-L284 WeakPolarHBondContact O-CB 3.21Å; E281-L284 PolarHBondContact O-N 2.83Å; K282-L284 VanDerWaalsContact C-N 3.31Å; K282-L284 PolarHBondContact O-N 2.85Å; L284-Q287 PolarHBondContact O-N 3.38Å; L284-R288 WeakPolarHBondContact O-CB 3.49Å; L284-R288 VanDerWaalsContact O-CG 3.26Å; L284-R288 WeakPolarHBondContact O-CG 3.34Å; L284-R288 PolarHBondContact O-N 2.93Å
285V88.1Confident77.3Confident64 Ų6469.4 Ų69.439%0.38835%0.346SS..Hα-helixtrans-63.2-43.9175.9172.80000110.5F270 E281 K282 R288 S289F270-V285 HydrophobicContact CD1-CG2 4.4Å; F270-V285 HydrophobicContact CE1-CG2 3.72Å; E281-V285 WeakPolarHBondContact O-CG2 3.38Å; E281-V285 PolarHBondContact O-N 3.32Å; K282-V285 PolarHBondContact O-N 3Å; V285-R288 PolarHBondContact O-N 3.44Å; V285-S289 WeakPolarHBondContact O-CB 3.4Å; V285-S289 PolarHBondContact O-N 3.22Å; V285-S289 PolarHBondContact O-OG 2.95Å
286E87.6Confident78.3Confident103 Ų10365.7 Ų65.748%0.48132%0.32SS..Hα-helixtrans-62.7-46.7175-72.2176-172.100111.2K282 N283 R288 S289 L290K282-E286 WeakPolarHBondContact CE-OE1 3.32Å; K282-E286 WeakPolarHBondContact O-CG 3.45Å; K282-E286 PolarHBondContact O-N 3.38Å; N283-E286 PolarHBondContact O-N 2.86Å; E286-R288 PolarHBondContact O-N 3.37Å; E286-S289 PolarHBondContact O-N 3.48Å; E286-L290 WeakPolarHBondContact O-CB 3.33Å; E286-L290 PolarHBondContact O-N 3.45Å
287Q88.1Confident78.9Confident79 Ų7957.8 Ų57.837%0.36928%0.283SS..Hα-helixtrans-60.8-40.8177.1-76.8173.6-12.200112.9N283 L284 L290 L291 V348N283-Q287 WeakPolarHBondContact O-CB 3.21Å; N283-Q287 WeakPolarHBondContact O-CG 3.49Å; N283-Q287 PolarHBondContact O-N 3.45Å; L284-Q287 PolarHBondContact O-N 3.38Å; Q287-L290 PolarHBondContact O-N 2.6Å; Q287-L291 WeakPolarHBondContact O-CB 3.5Å; Q287-L291 PolarHBondContact O-N 2.99Å; Q287-V348 HydrophobicContact CB-CG1 4.04Å; Q287-V348 HydrophobicContact CB-CG2 3.98Å; Q287-V348 HydrophobicContact CG-CG2 4.49Å
288R92.5Very high79.1Confident2 Ų258.9 Ų58.91%0.00829%0.289CS..Hα-helixtrans-68.7-37175.8-73.1170.4178.7169.78.5112C269 L284 V285 E286 L291 L292 V321 P322 G324 V348C269-R288 PolarHBondContact O-NH1 3.33Å; C269-R288 PolarHBondContact O-NH2 3.37Å; C269-R288 VanDerWaalsContact O-NH2 3.12Å; L284-R288 WeakPolarHBondContact O-CB 3.49Å; L284-R288 VanDerWaalsContact O-CG 3.26Å; L284-R288 WeakPolarHBondContact O-CG 3.34Å; L284-R288 PolarHBondContact O-N 2.93Å; V285-R288 PolarHBondContact O-N 3.44Å; E286-R288 PolarHBondContact O-N 3.37Å; R288-L291 WeakPolarHBondContact O-CB 3.18Å; R288-L291 PolarHBondContact O-N 3.46Å; R288-L292 PolarHBondContact O-N 3.14Å; R288-V321 HydrophobicContact CB-CG1 4.24Å; R288-V321 VanDerWaalsContact CD-O 3.3Å; R288-V321 WeakPolarHBondContact CD-O 3.42Å; R288-P322 WeakPolarHBondContact CD-O 3.46Å; R288-P322 PolarHBondContact NH1-O 2.91Å; R288-G324 VanDerWaalsContact CZ-N 3.33Å; R288-G324 VanDerWaalsContact NH2-CA 3.35Å; R288-V348 HydrophobicContact CB-CG1 4.44Å; R288-V348 HydrophobicContact CG-CG1 3.58Å; R288-V348 PolarHBondContact NE-O 3.38Å; R288-V348 VanDerWaalsContact NE-O 3.1Å
289S89.4Confident79.2Confident56 Ų5654.2 Ų54.239%0.39227%0.27SS..Hα-helixtrans-65.5-43.6175-56.80000110.8V285 E286 L291 L292 E293V285-S289 WeakPolarHBondContact O-CB 3.4Å; V285-S289 PolarHBondContact O-N 3.22Å; V285-S289 PolarHBondContact O-OG 2.95Å; E286-S289 PolarHBondContact O-N 3.48Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 3.12Å; S289-L292 WeakPolarHBondContact O-CB 3.3Å; S289-L292 PolarHBondContact O-N 3.25Å; S289-L292 VanDerWaalsContact O-N 3.16Å; S289-E293 PolarHBondContact O-N 2.74Å
290L86.8Confident78.9Confident44 Ų4452.3 Ų52.323%0.2327%0.266CS..Hα-helixtrans-61.4-40172.9174.258.6000112.4E286 Q287 L292 E293 N294 P765E286-L290 WeakPolarHBondContact O-CB 3.33Å; E286-L290 PolarHBondContact O-N 3.45Å; Q287-L290 PolarHBondContact O-N 2.6Å; L290-L292 VanDerWaalsContact C-N 3.31Å; L290-L292 PolarHBondContact O-N 3.11Å; L290-E293 WeakPolarHBondContact O-CB 3.19Å; L290-E293 PolarHBondContact O-N 3.38Å; L290-N294 PolarHBondContact O-N 2.96Å; L290-N294 PolarHBondContact O-ND2 3.2Å; L290-P765 HydrophobicContact CD1-CB 3.44Å; L290-P765 VanDerWaalsContact CD1-CB 3.44Å; L290-P765 HydrophobicContact CD1-CG 3.26Å; L290-P765 HydrophobicContact CD2-CB 3.79Å; L290-P765 HydrophobicContact CG-CB 4.25Å; L290-P765 HydrophobicContact CG-CG 4.49Å
291L88.5Confident78.1Confident9 Ų952 Ų525%0.04726%0.262CS..Hα-helixtrans-60.4-42.9174.117760.7000111.3Q287 R288 S289 E293 N294 L295 V321 A339 L340 A343 V348 I349Q287-L291 WeakPolarHBondContact O-CB 3.5Å; Q287-L291 PolarHBondContact O-N 2.99Å; R288-L291 WeakPolarHBondContact O-CB 3.18Å; R288-L291 PolarHBondContact O-N 3.46Å; S289-L291 VanDerWaalsContact C-N 3.34Å; S289-L291 PolarHBondContact O-N 3.12Å; L291-E293 VanDerWaalsContact C-N 3.32Å; L291-E293 PolarHBondContact O-N 2.9Å; L291-N294 WeakPolarHBondContact O-CB 3.42Å; L291-N294 PolarHBondContact O-N 3.04Å; L291-L295 HydrophobicContact CD1-CD1 4.47Å; L291-L295 HydrophobicContact CD1-CG 4.4Å; L291-L295 HydrophobicContact CG-CD1 4.25Å; L291-L295 VanDerWaalsContact O-CG 3.29Å; L291-L295 WeakPolarHBondContact O-CG 3.19Å; L291-L295 PolarHBondContact O-N 3.22Å; L291-V321 HydrophobicContact CB-CG1 4.42Å; L291-V321 HydrophobicContact CD2-CG1 3.85Å; L291-V321 HydrophobicContact CG-CG1 4.27Å; L291-A339 HydrophobicContact CD1-CB 4.1Å; L291-L340 HydrophobicContact CD2-CD2 4.31Å; L291-A343 HydrophobicContact CD1-CB 3.94Å; L291-A343 HydrophobicContact CD2-CB 3.46Å; L291-A343 VanDerWaalsContact CD2-CB 3.46Å; L291-A343 HydrophobicContact CG-CB 4.3Å; L291-V348 HydrophobicContact CD2-CG1 4.45Å; L291-I349 HydrophobicContact CD2-CD1 3.97Å; L291-I349 HydrophobicContact CD2-CG1 3.82Å
292L87.5Confident77Confident22 Ų2251.1 Ų51.112%0.11526%0.258CS..Hα-helixtrans-62-39.9174-74.9174.1000111.9R288 S289 L290 L295 R296 V321 P322R288-L292 PolarHBondContact O-N 3.14Å; S289-L292 WeakPolarHBondContact O-CB 3.3Å; S289-L292 PolarHBondContact O-N 3.25Å; S289-L292 VanDerWaalsContact O-N 3.16Å; L290-L292 VanDerWaalsContact C-N 3.31Å; L290-L292 PolarHBondContact O-N 3.11Å; L292-L295 HydrophobicContact CD2-CD1 4.49Å; L292-L295 PolarHBondContact O-N 2.98Å; L292-R296 WeakPolarHBondContact O-CD 3.49Å; L292-R296 WeakPolarHBondContact O-CG 3.49Å; L292-R296 PolarHBondContact O-N 3.42Å; L292-V321 HydrophobicContact CD1-CG1 4.38Å; L292-V321 HydrophobicContact CD2-CB 3.82Å; L292-V321 HydrophobicContact CD2-CG1 4.03Å; L292-V321 HydrophobicContact CD2-CG2 4.12Å; L292-V321 HydrophobicContact CG-CB 4.06Å; L292-V321 HydrophobicContact CG-CG1 3.77Å; L292-P322 HydrophobicContact CD1-CG 3.95Å
293E81.9Confident75.8Confident86 Ų8647.4 Ų47.440%0.40224%0.243SC..Hα-helixtrans-63.2-40.4172.7-69.6177.8-176.600112.6S289 L290 L291 L295 R296 I297 F766S289-E293 PolarHBondContact O-N 2.74Å; L290-E293 WeakPolarHBondContact O-CB 3.19Å; L290-E293 PolarHBondContact O-N 3.38Å; L291-E293 VanDerWaalsContact C-N 3.32Å; L291-E293 PolarHBondContact O-N 2.9Å; E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 3.36Å; E293-R296 WeakPolarHBondContact O-CA 3.28Å; E293-R296 WeakPolarHBondContact O-CB 3.47Å; E293-R296 PolarHBondContact O-N 2.91Å; E293-I297 PolarHBondContact O-N 3.02Å; E293-F766 HydrophobicContact CB-CE1 4.42Å
294N79.8Confident74.3Confident42 Ų4253 Ų5323%0.22526%0.263CS..Hα-helixtrans-61.5-42.7174.5-80.3-43.1000111.9L290 L291 R296 I297 F766L290-N294 PolarHBondContact O-N 2.96Å; L290-N294 PolarHBondContact O-ND2 3.2Å; L291-N294 WeakPolarHBondContact O-CB 3.42Å; L291-N294 PolarHBondContact O-N 3.04Å; N294-R296 PolarHBondContact O-N 3.34Å; N294-I297 HydrophobicContact CB-CD1 4.31Å; N294-I297 WeakPolarHBondContact O-CD1 3.28Å; N294-I297 VanDerWaalsContact O-CG1 3.28Å; N294-I297 WeakPolarHBondContact O-CG1 3.41Å; N294-I297 PolarHBondContact O-N 3.36Å; N294-F766 VanDerWaalsContact OD1-CD1 3.26Å; N294-F766 WeakPolarHBondContact OD1-CD1 3.23Å
295L82.7Confident72.5Confident32 Ų3260.1 Ų60.117%0.16830%0.301CS..Hα-helixtrans-66.6-13.2174.5-66.7170000112.6L291 L292 E293 L317 V321 E336 A339 L340L291-L295 HydrophobicContact CD1-CD1 4.47Å; L291-L295 HydrophobicContact CD1-CG 4.4Å; L291-L295 HydrophobicContact CG-CD1 4.25Å; L291-L295 VanDerWaalsContact O-CG 3.29Å; L291-L295 WeakPolarHBondContact O-CG 3.19Å; L291-L295 PolarHBondContact O-N 3.22Å; L292-L295 HydrophobicContact CD2-CD1 4.49Å; L292-L295 PolarHBondContact O-N 2.98Å; E293-L295 VanDerWaalsContact C-N 3.35Å; E293-L295 PolarHBondContact O-N 3.36Å; L295-L317 HydrophobicContact CD1-CD1 4.27Å; L295-V321 HydrophobicContact CD1-CG2 4.43Å; L295-E336 HydrophobicContact CD2-CB 4Å; L295-E336 HydrophobicContact CD2-CG 3.97Å; L295-A339 HydrophobicContact CD2-CB 4.06Å; L295-L340 HydrophobicContact CD1-CD2 4.16Å; L295-L340 HydrophobicContact CD2-CG 4.49Å
296R74.8Confident70.8Confident82 Ų8261.3 Ų61.331%0.30931%0.305SS..THydrogen-bonded Turntrans-96.9-4.9177.6-69.5163.5177.4179.5-1.8114.1L292 E293 N294 D298 Y299 T300 E318L292-R296 WeakPolarHBondContact O-CD 3.49Å; L292-R296 WeakPolarHBondContact O-CG 3.49Å; L292-R296 PolarHBondContact O-N 3.42Å; E293-R296 WeakPolarHBondContact O-CA 3.28Å; E293-R296 WeakPolarHBondContact O-CB 3.47Å; E293-R296 PolarHBondContact O-N 2.91Å; N294-R296 PolarHBondContact O-N 3.34Å; R296-D298 VanDerWaalsContact C-N 3.32Å; R296-D298 PolarHBondContact O-N 3.27Å; R296-Y299 WeakPolarHBondContact O-CB 3.19Å; R296-Y299 PolarHBondContact O-N 3.43Å; R296-T300 HydrophobicContact CB-CG2 4.3Å; R296-T300 PolarHBondContact O-N 3.16Å; R296-T300 VanDerWaalsContact O-N 3.11Å; R296-E318 IonicContact NH2-OE1 2.75Å; R296-E318 PolarHBondContact NH2-OE1 3.22Å
297I64.7Low68.6Low12 Ų1266.9 Ų66.96%0.06233%0.328CS..Hα-helixtrans-59-40-168-65.2167.1000112.9E293 N294 Y299 T300 I301 A735 F766E293-I297 PolarHBondContact O-N 3.02Å; N294-I297 HydrophobicContact CB-CD1 4.31Å; N294-I297 WeakPolarHBondContact O-CD1 3.28Å; N294-I297 VanDerWaalsContact O-CG1 3.28Å; N294-I297 WeakPolarHBondContact O-CG1 3.41Å; N294-I297 PolarHBondContact O-N 3.36Å; I297-Y299 PolarHBondContact O-N 3Å; I297-T300 PolarHBondContact O-N 2.83Å; I297-T300 PolarHBondContact O-OG1 3.03Å; I297-I301 HydrophobicContact CG2-CD1 3.56Å; I297-I301 HydrophobicContact CG2-CG1 4.32Å; I297-A735 HydrophobicContact CB-CB 4.26Å; I297-A735 HydrophobicContact CG2-CB 3.47Å; I297-A735 VanDerWaalsContact CG2-CB 3.47Å; I297-F766 HydrophobicContact CD1-CB 4.27Å; I297-F766 HydrophobicContact CD1-CD1 3.93Å; I297-F766 HydrophobicContact CD1-CG 4.32Å; I297-F766 HydrophobicContact CG1-CD1 4.22Å
298D60.8Low66.6Low51 Ų5165.1 Ų65.127%0.27333%0.33SS..Hα-helixtrans-60.2-27.8178.7-74.9-31.3000111.8R296 A735R296-D298 VanDerWaalsContact C-N 3.32Å; R296-D298 PolarHBondContact O-N 3.27Å; D298-A735 WeakPolarHBondContact OD1-CB 3.36Å
299Y57.6Low64.2Low53 Ų5369.1 Ų69.121%0.20837%0.373CS..Hα-helixtrans-86-45.8178.5-175.9-91.4000113.1R296 I297 I301 E302 N303 T312R296-Y299 WeakPolarHBondContact O-CB 3.19Å; R296-Y299 PolarHBondContact O-N 3.43Å; I297-Y299 PolarHBondContact O-N 3Å; Y299-I301 VanDerWaalsContact C-N 3.3Å; Y299-I301 PolarHBondContact O-N 3.37Å; Y299-E302 PolarHBondContact O-N 2.91Å; Y299-N303 HydrophobicContact CD1-CB 4.41Å; Y299-N303 WeakPolarHBondContact CD2-ND2 3.45Å; Y299-N303 HydrophobicContact CE1-CB 3.97Å; Y299-N303 HydrophobicContact CE2-CB 4.21Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.45Å; Y299-N303 WeakPolarHBondContact O-CB 3.26Å; Y299-N303 PolarHBondContact O-N 2.88Å; Y299-N303 PolarHBondContact O-ND2 2.91Å; Y299-T312 HydrophobicContact CD1-CG2 4.31Å; Y299-T312 HydrophobicContact CE1-CG2 3.68Å; Y299-T312 HydrophobicContact CE2-CG2 3.98Å; Y299-T312 VanDerWaalsContact CZ-CG2 3.5Å
300T50.2Low62.4Low80 Ų8069.2 Ų69.249%0.49137%0.37SS..Hα-helixtrans-67.1-28.4-170.451.90000113.8R296 I297R296-T300 HydrophobicContact CB-CG2 4.3Å; R296-T300 PolarHBondContact O-N 3.16Å; R296-T300 VanDerWaalsContact O-N 3.11Å; I297-T300 PolarHBondContact O-N 2.83Å; I297-T300 PolarHBondContact O-OG1 3.03Å
301I53.9Low60.6Low47 Ų4772.7 Ų72.724%0.24139%0.385CS..THydrogen-bonded Turntrans-79.5-28-179.8-61.5174.6000111.7I297 Y299 R738 Q739I297-I301 HydrophobicContact CG2-CD1 3.56Å; I297-I301 HydrophobicContact CG2-CG1 4.32Å; Y299-I301 VanDerWaalsContact C-N 3.3Å; Y299-I301 PolarHBondContact O-N 3.37Å; I301-R738 HydrophobicContact CD1-CB 4.48Å; I301-R738 HydrophobicContact CG2-CB 4.01Å; I301-R738 HydrophobicContact CG2-CG 4.48Å; I301-Q739 HydrophobicContact CD1-CG 3.48Å; I301-Q739 VanDerWaalsContact CD1-CG 3.48Å
302E52.9Low59.1Low23 Ų2374.5 Ų74.511%0.10740%0.397CS..THydrogen-bonded Turntrans-96.1-20.6-171.9-66.2-175.5158.100114Y299 P658 R738Y299-E302 PolarHBondContact O-N 2.91Å; E302-P658 WeakPolarHBondContact OE2-CA 3.42Å; E302-P658 VanDerWaalsContact OE2-CB 3.25Å; E302-P658 WeakPolarHBondContact OE2-CB 3.27Å; E302-R738 VanDerWaalsContact CD-NH1 3.32Å; E302-R738 VanDerWaalsContact CG-NH1 3.29Å; E302-R738 IonicContact OE1-CZ 3.57Å; E302-R738 IonicContact OE1-NH1 2.82Å; E302-R738 PolarHBondContact OE1-NH1 3.16Å; E302-R738 IonicContact OE1-NH2 3.63Å; E302-R738 PolarHBondContact OE1-NH2 3.02Å
303N54.6Low57.9Low25 Ų2575.3 Ų75.313%0.13440%0.4CS..  trans-108.529.9-165.1-69.9-72.7000116.2Y299 D305 L306Y299-N303 HydrophobicContact CD1-CB 4.41Å; Y299-N303 WeakPolarHBondContact CD2-ND2 3.45Å; Y299-N303 HydrophobicContact CE1-CB 3.97Å; Y299-N303 HydrophobicContact CE2-CB 4.21Å; Y299-N303 WeakPolarHBondContact CE2-ND2 3.45Å; Y299-N303 WeakPolarHBondContact O-CB 3.26Å; Y299-N303 PolarHBondContact O-N 2.88Å; Y299-N303 PolarHBondContact O-ND2 2.91Å; N303-D305 PolarHBondContact O-N 3.46Å; N303-L306 WeakPolarHBondContact OD1-CD1 3.23Å
304K51.6Low57.7Low197 Ų19772 Ų7286%0.85739%0.386SS*.SBendtrans-60.3-23.3169.9-79.9-172.1177.8179.80112.9
305D49.2Very low57.8Low153 Ų15373.4 Ų73.482%0.81840%0.398SS*.SBendtrans-113.9-10.2-171.3-62-38.4000116.1N303 K307N303-D305 PolarHBondContact O-N 3.46Å; D305-K307 PolarHBondContact O-N 2.97Å
306L51.1Low58.1Low90 Ų9072.8 Ų72.847%0.47140%0.395SS..  trans-90.696-178.6-80.1159.1000111.1N303 G308N303-L306 WeakPolarHBondContact OD1-CD1 3.23Å; L306-G308 PolarHBondContact O-N 3.3Å
307K42.6Very low59Low220 Ų22069.1 Ų69.196%0.95738%0.382SS*.  trans-72.418.7178.2-69.9-173.9176.4179.40115.5D305D305-K307 PolarHBondContact O-N 2.97Å
308G45.7Very low60.1Low41 Ų4172 Ų7242%0.42340%0.395SS..SBendtrans-104.4124.6-178.400000111.4L306 V310L306-G308 PolarHBondContact O-N 3.3Å; G308-V310 PolarHBondContact O-N 2.76Å
309G42.4Very low61.6Low87 Ų8774.6 Ų74.690%0.89740%0.402SS*.  trans-68.150.7177.600000114.7Q311G309-Q311 PolarHBondContact O-N 2.99Å
310V50.4Low63.4Low57 Ų5772 Ų7235%0.34539%0.392SS..  trans-56.3124.5166-175.70000106.1G308 T312G308-V310 PolarHBondContact O-N 2.76Å; V310-T312 WeakPolarHBondContact O-CG2 3.35Å; V310-T312 PolarHBondContact O-N 3.4Å
311Q50.5Low65.5Low117 Ų11768.2 Ų68.255%0.54737%0.368SS..  trans-44.1128.9173.6-148.7160.117.300106.2G309 W660G309-Q311 PolarHBondContact O-N 2.99Å; Q311-W660 HydrophobicContact CB-CH2 4.46Å; Q311-W660 WeakPolarHBondContact O-CH2 3.4Å; Q311-W660 WeakPolarHBondContact O-CZ3 3.26Å
312T55.6Low67.4Low47 Ų4768.5 Ų68.529%0.28837%0.373SS..  trans-101.5-2.3-160.153.90000114.9Y299 V310 W660Y299-T312 HydrophobicContact CD1-CG2 4.31Å; Y299-T312 HydrophobicContact CE1-CG2 3.68Å; Y299-T312 HydrophobicContact CE2-CG2 3.98Å; Y299-T312 VanDerWaalsContact CZ-CG2 3.5Å; V310-T312 WeakPolarHBondContact O-CG2 3.35Å; V310-T312 PolarHBondContact O-N 3.4Å; T312-W660 WeakPolarHBondContact O-CZ3 3.26Å
313H64.1Low69.3Low39 Ų3970.7 Ų70.718%0.18138%0.382CS..SBendtrans-155.6166.4-170.548.1-83.2000111.7P315 E318 W660H313-P315 VanDerWaalsContact O-CD 3.29Å; H313-P315 WeakPolarHBondContact O-CD 3.33Å; H313-E318 IonicContact CD2-OE2 2.92Å; H313-E318 PolarHBondContact CD2-OE2 2.85Å; H313-E318 VanDerWaalsContact CD2-OE2 3.32Å; H313-E318 IonicContact CE1-OE1 3.37Å; H313-E318 IonicContact CE1-OE2 3.14Å; H313-E318 PolarHBondContact CE1-OE2 2.85Å; H313-E318 VanDerWaalsContact CE1-OE2 3.3Å; H313-E318 IonicContact CG-OE2 3.4Å; H313-E318 IonicContact ND1-OE1 3.78Å; H313-E318 IonicContact ND1-OE2 3.94Å; H313-E318 IonicContact NE2-OE2 3.97Å; H313-E318 PolarHBondContact NE2-OE2 2.79Å; H313-W660 VanDerWaalsContact C-CH2 3.48Å; H313-W660 WeakPolarHBondContact O-CH2 3.45Å; H313-W660 WeakPolarHBondContact O-CZ2 2.9Å
314C77Confident71.1Confident16 Ų1669.6 Ų69.611%0.10838%0.377CS..  trans-65.8117.3160.9175.90000109V316 L317 E318 Y327C314-V316 PolarHBondContact O-N 3.38Å; C314-V316 VanDerWaalsContact O-N 3.08Å; C314-V316 PolarHBondContact SG-N 3.39Å; C314-V316 VanDerWaalsContact SG-N 3.44Å; C314-L317 HydrophobicContact CB-CB 4.31Å; C314-L317 HydrophobicContact CB-CD1 4.36Å; C314-L317 HydrophobicContact CB-CG 4.28Å; C314-L317 PolarHBondContact O-N 3.23Å; C314-E318 PolarHBondContact O-N 2.63Å; C314-Y327 PolarHBondContact SG-OH 3.31Å
315P81.7Confident73.3Confident73 Ų7360.3 Ų60.347%0.47434%0.337SS..Hα-helixtrans-61.6-22-178.125.1-34.8000112.7H313H313-P315 VanDerWaalsContact O-CD 3.29Å; H313-P315 WeakPolarHBondContact O-CD 3.33Å
316V89.9Confident75.6Confident18 Ų1853 Ų5311%0.10930%0.298CS..Hα-helixtrans-74.5-50.3177-1790000110.8E254 K258 C314 E318 Y319 T320 Y327E254-V316 HydrophobicContact CB-CG1 4.39Å; E254-V316 HydrophobicContact CB-CG2 4.4Å; K258-V316 HydrophobicContact CB-CG1 4.31Å; C314-V316 PolarHBondContact O-N 3.38Å; C314-V316 VanDerWaalsContact O-N 3.08Å; C314-V316 PolarHBondContact SG-N 3.39Å; C314-V316 VanDerWaalsContact SG-N 3.44Å; V316-E318 VanDerWaalsContact C-N 3.34Å; V316-E318 PolarHBondContact O-N 3.2Å; V316-Y319 PolarHBondContact O-N 3.13Å; V316-T320 HydrophobicContact CG1-CG2 4.04Å; V316-T320 VanDerWaalsContact O-CG2 3.23Å; V316-T320 WeakPolarHBondContact O-CG2 3.39Å; V316-T320 PolarHBondContact O-N 3.17Å; V316-T320 PolarHBondContact O-OG1 3.27Å; V316-Y327 HydrophobicContact CB-CE1 3.88Å; V316-Y327 HydrophobicContact CG1-CD1 3.85Å; V316-Y327 HydrophobicContact CG1-CE1 3.7Å
317L92Very high77.7Confident6 Ų649 Ų493%0.03128%0.276CS..Hα-helixtrans-65.8-36-178.2-69179.2000112.8L295 C314 Y319 T320 V321 A326 Y327 L332 L340L295-L317 HydrophobicContact CD1-CD1 4.27Å; C314-L317 HydrophobicContact CB-CB 4.31Å; C314-L317 HydrophobicContact CB-CD1 4.36Å; C314-L317 HydrophobicContact CB-CG 4.28Å; C314-L317 PolarHBondContact O-N 3.23Å; L317-Y319 PolarHBondContact O-N 3.03Å; L317-T320 PolarHBondContact O-N 3.24Å; L317-V321 HydrophobicContact CB-CG2 4.3Å; L317-V321 HydrophobicContact CD2-CG2 4.42Å; L317-V321 VanDerWaalsContact O-CB 3.29Å; L317-V321 WeakPolarHBondContact O-CB 3.24Å; L317-V321 VanDerWaalsContact O-CG2 3.28Å; L317-V321 WeakPolarHBondContact O-CG2 3.41Å; L317-V321 PolarHBondContact O-N 3.44Å; L317-A326 HydrophobicContact CD2-CB 4.1Å; L317-Y327 HydrophobicContact CD1-CE1 4.33Å; L317-Y327 HydrophobicContact CD2-CD1 3.55Å; L317-Y327 HydrophobicContact CD2-CE1 3.41Å; L317-Y327 VanDerWaalsContact CD2-CE1 3.41Å; L317-Y327 HydrophobicContact CD2-CG 4.33Å; L317-Y327 HydrophobicContact CG-CD1 4.18Å; L317-Y327 HydrophobicContact CG-CE1 3.49Å; L317-Y327 VanDerWaalsContact CG-CE1 3.49Å; L317-L332 HydrophobicContact CD1-CD2 4.22Å; L317-L340 HydrophobicContact CD1-CD1 4.44Å; L317-L340 HydrophobicContact CD2-CD1 4.43Å
318E89.4Confident80.2Confident71 Ų7138.7 Ų38.733%0.33223%0.232SC..Hα-helixtrans-59.8-37.2176-174.2171.9-121.200111.7R296 H313 C314 V316 P322R296-E318 IonicContact NH2-OE1 2.75Å; R296-E318 PolarHBondContact NH2-OE1 3.22Å; H313-E318 IonicContact CD2-OE2 2.92Å; H313-E318 PolarHBondContact CD2-OE2 2.85Å; H313-E318 VanDerWaalsContact CD2-OE2 3.32Å; H313-E318 IonicContact CE1-OE1 3.37Å; H313-E318 IonicContact CE1-OE2 3.14Å; H313-E318 PolarHBondContact CE1-OE2 2.85Å; H313-E318 VanDerWaalsContact CE1-OE2 3.3Å; H313-E318 IonicContact CG-OE2 3.4Å; H313-E318 IonicContact ND1-OE1 3.78Å; H313-E318 IonicContact ND1-OE2 3.94Å; H313-E318 IonicContact NE2-OE2 3.97Å; H313-E318 PolarHBondContact NE2-OE2 2.79Å; C314-E318 PolarHBondContact O-N 2.63Å; V316-E318 VanDerWaalsContact C-N 3.34Å; V316-E318 PolarHBondContact O-N 3.2Å; E318-P322 WeakPolarHBondContact O-CD 3.4Å; E318-P322 VanDerWaalsContact O-CG 3.32Å; E318-P322 WeakPolarHBondContact O-CG 3.27Å
319Y91.3Very high82.4Confident106 Ų10636.9 Ų36.942%0.41621%0.212SC..Hα-helixtrans-77.6-38.9176.8-171.3-92.7000112.9A261 E262 V316 L317A261-Y319 HydrophobicContact CB-CD1 3.87Å; A261-Y319 HydrophobicContact CB-CE1 3.77Å; E262-Y319 HydrophobicContact CB-CE1 4.44Å; E262-Y319 HydrophobicContact CG-CD1 4.44Å; E262-Y319 HydrophobicContact CG-CE1 3.4Å; E262-Y319 VanDerWaalsContact CG-CE1 3.4Å; E262-Y319 WeakPolarHBondContact CG-OH 3.4Å; V316-Y319 PolarHBondContact O-N 3.13Å; L317-Y319 PolarHBondContact O-N 3.03Å
320T95.7Very high84.6Confident0 Ų035.2 Ų35.20%019%0.186CC..Hα-helixtrans-86.1-39-170.366.10000113.7A257 A261 V316 L317 K323 G324 I325A257-T320 HydrophobicContact CB-CG2 4.06Å; A257-T320 WeakPolarHBondContact O-CG2 3.49Å; A261-T320 HydrophobicContact CB-CG2 3.8Å; V316-T320 HydrophobicContact CG1-CG2 4.04Å; V316-T320 VanDerWaalsContact O-CG2 3.23Å; V316-T320 WeakPolarHBondContact O-CG2 3.39Å; V316-T320 PolarHBondContact O-N 3.17Å; V316-T320 PolarHBondContact O-OG1 3.27Å; L317-T320 PolarHBondContact O-N 3.24Å; T320-K323 WeakPolarHBondContact O-CA 3.41Å; T320-K323 WeakPolarHBondContact O-CB 3.4Å; T320-K323 PolarHBondContact O-N 3.05Å; T320-G324 PolarHBondContact O-N 3.38Å; T320-I325 CarbonylContact C-O 3.59Å; T320-I325 WeakPolarHBondContact CB-O 3.28Å; T320-I325 PolarHBondContact O-N 2.96Å; T320-I325 PolarHBondContact OG1-O 2.94Å
321V95Very high86.5Confident0 Ų032.8 Ų32.80%017%0.173CC..G310 helixtrans-58.8-42.4-1751670000112.7R288 L291 L292 L295 L317 K323 G324 I325 I349R288-V321 HydrophobicContact CB-CG1 4.24Å; R288-V321 VanDerWaalsContact CD-O 3.3Å; R288-V321 WeakPolarHBondContact CD-O 3.42Å; L291-V321 HydrophobicContact CB-CG1 4.42Å; L291-V321 HydrophobicContact CD2-CG1 3.85Å; L291-V321 HydrophobicContact CG-CG1 4.27Å; L292-V321 HydrophobicContact CD1-CG1 4.38Å; L292-V321 HydrophobicContact CD2-CB 3.82Å; L292-V321 HydrophobicContact CD2-CG1 4.03Å; L292-V321 HydrophobicContact CD2-CG2 4.12Å; L292-V321 HydrophobicContact CG-CB 4.06Å; L292-V321 HydrophobicContact CG-CG1 3.77Å; L295-V321 HydrophobicContact CD1-CG2 4.43Å; L317-V321 HydrophobicContact CB-CG2 4.3Å; L317-V321 HydrophobicContact CD2-CG2 4.42Å; L317-V321 VanDerWaalsContact O-CB 3.29Å; L317-V321 WeakPolarHBondContact O-CB 3.24Å; L317-V321 VanDerWaalsContact O-CG2 3.28Å; L317-V321 WeakPolarHBondContact O-CG2 3.41Å; L317-V321 PolarHBondContact O-N 3.44Å; V321-K323 PolarHBondContact O-N 2.97Å; V321-K323 VanDerWaalsContact O-N 3.1Å; V321-G324 PolarHBondContact O-N 3.42Å; V321-I325 WeakPolarHBondContact CA-O 3.22Å; V321-I325 PolarHBondContact N-O 3.35Å; V321-I349 HydrophobicContact CG1-CD1 4.23Å; V321-I349 HydrophobicContact CG2-CD1 4.39Å
322P93Very high88.4Confident53 Ų5327.2 Ų27.234%0.34415%0.147SC..G310 helixtrans-57.6-26.6175.8-27.337000113.7F270 R288 L292 E318 G324F270-P322 WeakPolarHBondContact CZ-O 3.28Å; R288-P322 WeakPolarHBondContact CD-O 3.46Å; R288-P322 PolarHBondContact NH1-O 2.91Å; L292-P322 HydrophobicContact CD1-CG 3.95Å; E318-P322 WeakPolarHBondContact O-CD 3.4Å; E318-P322 VanDerWaalsContact O-CG 3.32Å; E318-P322 WeakPolarHBondContact O-CG 3.27Å; P322-G324 VanDerWaalsContact C-N 3.35Å
323K92.8Very high89.8Confident69 Ų6925.1 Ų25.130%0.313%0.134SC..G310 helixtrans-88.10.1176.7-57.6-60.5-173.6179.50113.6A261 F270 T320 V321 I325A261-K323 HydrophobicContact CB-CB 4.25Å; A261-K323 HydrophobicContact CB-CG 4.19Å; F270-K323 HydrophobicContact CE2-CD 4.48Å; T320-K323 WeakPolarHBondContact O-CA 3.41Å; T320-K323 WeakPolarHBondContact O-CB 3.4Å; T320-K323 PolarHBondContact O-N 3.05Å; V321-K323 PolarHBondContact O-N 2.97Å; V321-K323 VanDerWaalsContact O-N 3.1Å; K323-I325 HydrophobicContact CB-CD1 3.98Å
324G93.4Very high90.6Very high2 Ų224.5 Ų24.52%0.02113%0.132CC..THydrogen-bonded Turntrans78.823-178.800000113.9R288 T320 V321 P322 R350 V351R288-G324 VanDerWaalsContact CZ-N 3.33Å; R288-G324 VanDerWaalsContact NH2-CA 3.35Å; T320-G324 PolarHBondContact O-N 3.38Å; V321-G324 PolarHBondContact O-N 3.42Å; P322-G324 VanDerWaalsContact C-N 3.35Å; G324-R350 PolarHBondContact O-N 2.91Å; G324-V351 PolarHBondContact O-N 3.38Å
325I96.7Very high90.8Very high2 Ų226 Ų261%0.0114%0.137CC..EExtended strand (participates in β ladder)trans-123.2138.1-177.2-58.7151.1000108.2A257 L260 A261 L264 T320 V321 K323 V351A257-I325 HydrophobicContact CB-CG2 4.15Å; L260-I325 HydrophobicContact CB-CD1 4.2Å; L260-I325 HydrophobicContact CB-CG2 4.37Å; A261-I325 VanDerWaalsContact CA-CD1 3.47Å; A261-I325 HydrophobicContact CB-CD1 3.92Å; L264-I325 HydrophobicContact CD1-CD1 3.54Å; L264-I325 HydrophobicContact CD1-CG1 4.24Å; T320-I325 CarbonylContact C-O 3.59Å; T320-I325 WeakPolarHBondContact CB-O 3.28Å; T320-I325 PolarHBondContact O-N 2.96Å; T320-I325 PolarHBondContact OG1-O 2.94Å; V321-I325 WeakPolarHBondContact CA-O 3.22Å; V321-I325 PolarHBondContact N-O 3.35Å; K323-I325 HydrophobicContact CB-CD1 3.98Å; I325-V351 WeakPolarHBondContact CA-O 3.3Å; I325-V351 HydrophobicContact CG1-CB 4.05Å; I325-V351 HydrophobicContact CG1-CG2 4.34Å; I325-V351 HydrophobicContact CG2-CB 4.35Å; I325-V351 HydrophobicContact CG2-CG1 4.47Å
326A96.8Very high91Very high0 Ų023.3 Ų23.30%012%0.118CC..EExtended strand (participates in β ladder)trans-143.2177.3173.100000110.4L317 L340 I349 V351 L352 C353L317-A326 HydrophobicContact CD2-CB 4.1Å; A326-L340 HydrophobicContact CB-CD1 4.36Å; A326-L340 HydrophobicContact CB-CD2 3.72Å; A326-I349 HydrophobicContact CB-CD1 4.34Å; A326-I349 HydrophobicContact CB-CG1 4.43Å; A326-I349 HydrophobicContact CB-CG2 4.08Å; A326-V351 PolarHBondContact N-O 3.32Å; A326-L352 HydrophobicContact CB-CD1 3.85Å; A326-L352 WeakPolarHBondContact O-CA 3.29Å; A326-C353 PolarHBondContact O-N 3.33Å
327Y96.3Very high90.9Very high5 Ų524.9 Ų24.92%0.0212%0.122CC..EExtended strand (participates in β ladder)trans-124.5158170.167.7-95.8000111.1E254 A257 C314 V316 L317 H329 L332 L340 C353E254-Y327 HydrophobicContact CG-CD1 4.15Å; E254-Y327 HydrophobicContact CG-CD2 4.04Å; E254-Y327 HydrophobicContact CG-CE1 3.97Å; E254-Y327 HydrophobicContact CG-CE2 3.84Å; E254-Y327 HydrophobicContact CG-CG 4.18Å; A257-Y327 HydrophobicContact CB-CD1 4.33Å; C314-Y327 PolarHBondContact SG-OH 3.31Å; V316-Y327 HydrophobicContact CB-CE1 3.88Å; V316-Y327 HydrophobicContact CG1-CD1 3.85Å; V316-Y327 HydrophobicContact CG1-CE1 3.7Å; L317-Y327 HydrophobicContact CD1-CE1 4.33Å; L317-Y327 HydrophobicContact CD2-CD1 3.55Å; L317-Y327 HydrophobicContact CD2-CE1 3.41Å; L317-Y327 VanDerWaalsContact CD2-CE1 3.41Å; L317-Y327 HydrophobicContact CD2-CG 4.33Å; L317-Y327 HydrophobicContact CG-CD1 4.18Å; L317-Y327 HydrophobicContact CG-CE1 3.49Å; L317-Y327 VanDerWaalsContact CG-CE1 3.49Å; Y327-H329 AromaticContact CD2-CD2 3.34Å; Y327-H329 WeakPolarHBondContact CD2-CD2 3.3Å; Y327-H329 AromaticContact CD2-NE2 3.23Å; Y327-H329 WeakPolarHBondContact CD2-NE2 3.32Å; Y327-H329 AromaticContact CE2-CD2 3.71Å; Y327-H329 AromaticContact CE2-CE1 3.83Å; Y327-H329 AromaticContact CE2-NE2 3.1Å; Y327-H329 WeakPolarHBondContact CE2-NE2 3.26Å; Y327-L332 HydrophobicContact CD2-CD1 4.11Å; Y327-L332 HydrophobicContact CD2-CG 4.4Å; Y327-L332 HydrophobicContact CE2-CD1 3.9Å; Y327-L332 HydrophobicContact CE2-CD2 3.56Å; Y327-L332 HydrophobicContact CE2-CG 3.77Å; Y327-L332 WeakPolarHBondContact O-CD1 3.5Å; Y327-L340 VanDerWaalsContact O-CD1 3.22Å; Y327-L340 WeakPolarHBondContact O-CD1 3.43Å; Y327-C353 CarbonylContact C-O 3.53Å; Y327-C353 WeakPolarHBondContact CA-O 3.23Å; Y327-C353 VanDerWaalsContact CB-O 3.29Å; Y327-C353 WeakPolarHBondContact CB-O 3.18Å
328H94.1Very high90.6Very high4 Ų426.5 Ų26.52%0.01913%0.131CC..EExtended strand (participates in β ladder)trans-141.1115.4-179.6-174.9-63.5000111.4R337 E341 L352 C353 C354 T355 L358H328-R337 WeakPolarHBondContact CE1-CD 3.36Å; H328-E341 IonicContact CD2-OE1 4Å; H328-E341 IonicContact CE1-OE1 2.85Å; H328-E341 IonicContact NE2-OE1 2.64Å; H328-E341 PolarHBondContact NE2-OE1 2.94Å; H328-L352 HydrophobicContact CB-CD1 4.01Å; H328-L352 HydrophobicContact CB-CD2 3.8Å; H328-L352 HydrophobicContact CB-CG 3.9Å; H328-C353 PolarHBondContact N-O 3.15Å; H328-C354 HydrophobicContact CB-CB 4.25Å; H328-C354 WeakPolarHBondContact O-CA 3.33Å; H328-C354 WeakPolarHBondContact O-CB 3.41Å; H328-T355 PolarHBondContact O-N 2.83Å; H328-L358 HydrophobicContact CB-CD1 4.26Å; H328-L358 VanDerWaalsContact CE1-CD1 3.41Å; H328-L358 WeakPolarHBondContact CE1-CD1 3.34Å; H328-L358 WeakPolarHBondContact ND1-CD1 3.48Å
329H93Very high90.4Very high3 Ų324.3 Ų24.31%0.01412%0.124CC..SBendtrans-157.9174.517358.877.4000111.1K250 E254 Y327 G331 L332 T355K250-H329 HydrophobicContact CG-CB 4.14Å; E254-H329 IonicContact OE1-CE1 3.31Å; E254-H329 PolarHBondContact OE1-CE1 2.91Å; E254-H329 VanDerWaalsContact OE1-CE1 3.29Å; E254-H329 IonicContact OE1-NE2 3.79Å; E254-H329 PolarHBondContact OE1-NE2 3.19Å; E254-H329 VanDerWaalsContact OE1-NE2 3.14Å; Y327-H329 AromaticContact CD2-CD2 3.34Å; Y327-H329 WeakPolarHBondContact CD2-CD2 3.3Å; Y327-H329 AromaticContact CD2-NE2 3.23Å; Y327-H329 WeakPolarHBondContact CD2-NE2 3.32Å; Y327-H329 AromaticContact CE2-CD2 3.71Å; Y327-H329 AromaticContact CE2-CE1 3.83Å; Y327-H329 AromaticContact CE2-NE2 3.1Å; Y327-H329 WeakPolarHBondContact CE2-NE2 3.26Å; H329-G331 WeakPolarHBondContact ND1-CA 3.5Å; H329-G331 PolarHBondContact ND1-N 2.8Å; H329-G331 PolarHBondContact O-N 2.88Å; H329-L332 PolarHBondContact O-N 3.13Å; H329-L332 VanDerWaalsContact O-N 3.1Å; H329-T355 HydrophobicContact CB-CG2 3.85Å; H329-T355 WeakPolarHBondContact CB-OG1 3.34Å
330S88.9Confident90.4Very high51 Ų5119.2 Ų19.236%0.35711%0.105SC..THydrogen-bonded Turntrans-68.57.1-176.869.60000116K250 G671K250-S330 WeakPolarHBondContact CE-OG 3.36Å; K250-S330 PolarHBondContact NZ-OG 3.35Å; K250-S330 VanDerWaalsContact NZ-OG 3.11Å; S330-G671 CarbonylContact O-C 3.57Å; S330-G671 WeakPolarHBondContact O-CA 3.26Å
331G89.9Confident90.2Very high6 Ų620.2 Ų20.26%0.06211%0.109CC..THydrogen-bonded Turntrans-88.2-15.7171.500000112.7H329 S669 G671H329-G331 WeakPolarHBondContact ND1-CA 3.5Å; H329-G331 PolarHBondContact ND1-N 2.8Å; H329-G331 PolarHBondContact O-N 2.88Å; G331-S669 WeakPolarHBondContact CA-OG 3.44Å; G331-G671 PolarHBondContact O-N 2.99Å
332L89.7Confident89.8Confident0 Ų023.1 Ų23.10%013%0.127CC..SBendtrans-85150.1171-61.5179.7000110.4L317 Y327 H329 E336 R337 L340 G671L317-L332 HydrophobicContact CD1-CD2 4.22Å; Y327-L332 HydrophobicContact CD2-CD1 4.11Å; Y327-L332 HydrophobicContact CD2-CG 4.4Å; Y327-L332 HydrophobicContact CE2-CD1 3.9Å; Y327-L332 HydrophobicContact CE2-CD2 3.56Å; Y327-L332 HydrophobicContact CE2-CG 3.77Å; Y327-L332 WeakPolarHBondContact O-CD1 3.5Å; H329-L332 PolarHBondContact O-N 3.13Å; H329-L332 VanDerWaalsContact O-N 3.1Å; L332-E336 WeakPolarHBondContact CA-OE2 3.06Å; L332-E336 HydrophobicContact CB-CB 4.15Å; L332-R337 HydrophobicContact CB-CG 3.79Å; L332-R337 HydrophobicContact CD1-CG 4.22Å; L332-L340 HydrophobicContact CD1-CD1 3.67Å; L332-G671 WeakPolarHBondContact O-CA 3.38Å
333T85.4Confident89.7Confident4 Ų420.8 Ų20.83%0.02511%0.112CC..  trans-68.1164.5170.7710000110.5E335 E336 R337 L659 R670 Q674T333-E335 VanDerWaalsContact C-N 3.27Å; T333-E335 VanDerWaalsContact CB-OE2 3.3Å; T333-E335 WeakPolarHBondContact CB-OE2 3.27Å; T333-E335 PolarHBondContact O-N 3.49Å; T333-E335 PolarHBondContact OG1-OE2 2.96Å; T333-E336 PolarHBondContact N-OE2 2.89Å; T333-E336 PolarHBondContact O-N 3.32Å; T333-E336 VanDerWaalsContact OG1-CG 3.22Å; T333-E336 WeakPolarHBondContact OG1-CG 3.42Å; T333-E336 PolarHBondContact OG1-N 3.26Å; T333-R337 WeakPolarHBondContact O-CG 2.94Å; T333-R337 PolarHBondContact O-N 3.49Å; T333-L659 HydrophobicContact CG2-CD2 3.92Å; T333-R670 HydrophobicContact CG2-CB 3.82Å; T333-Q674 VanDerWaalsContact CA-OE1 3.31Å
334Q82Confident89.7Confident26 Ų2618 Ų1812%0.12110%0.1CC..Hα-helixtrans-63.9-35.2176.9-171.762.558.300111.7R337 N338Q334-R337 PolarHBondContact O-N 3.42Å; Q334-N338 PolarHBondContact NE2-OD1 3.33Å; Q334-N338 WeakPolarHBondContact O-CB 3.41Å; Q334-N338 PolarHBondContact O-N 3.09Å; Q334-N338 PolarHBondContact O-ND2 2.92Å; Q334-N338 PolarHBondContact O-OD1 3.39Å
335E79.7Confident89.4Confident48 Ų4823.2 Ų23.222%0.22413%0.126CC..Hα-helixtrans-64.1-44.5178.3-61.378.1-17400110.7T333 N338 A339 Q674 K733T333-E335 VanDerWaalsContact C-N 3.27Å; T333-E335 VanDerWaalsContact CB-OE2 3.3Å; T333-E335 WeakPolarHBondContact CB-OE2 3.27Å; T333-E335 PolarHBondContact O-N 3.49Å; T333-E335 PolarHBondContact OG1-OE2 2.96Å; E335-N338 PolarHBondContact O-N 3.39Å; E335-A339 WeakPolarHBondContact O-CB 3.48Å; E335-A339 PolarHBondContact O-N 2.94Å; E335-Q674 PolarHBondContact OE1-NE2 3.47Å; E335-Q674 PolarHBondContact OE2-NE2 2.94Å; E335-K733 HydrophobicContact CG-CB 3.92Å; E335-K733 HydrophobicContact CG-CG 3.98Å; E335-K733 WeakPolarHBondContact OE1-CB 3.36Å; E335-K733 WeakPolarHBondContact OE1-CD 3.16Å; E335-K733 WeakPolarHBondContact OE1-CG 3.37Å
336E86.6Confident88.9Confident15 Ų1528.1 Ų28.17%0.0715%0.149CC..Hα-helixtrans-64.4-45.3175.7-68.6176.6138.200112L295 L332 T333 N338 A339 L340 R670L295-E336 HydrophobicContact CD2-CB 4Å; L295-E336 HydrophobicContact CD2-CG 3.97Å; L332-E336 WeakPolarHBondContact CA-OE2 3.06Å; L332-E336 HydrophobicContact CB-CB 4.15Å; T333-E336 PolarHBondContact N-OE2 2.89Å; T333-E336 PolarHBondContact O-N 3.32Å; T333-E336 VanDerWaalsContact OG1-CG 3.22Å; T333-E336 WeakPolarHBondContact OG1-CG 3.42Å; T333-E336 PolarHBondContact OG1-N 3.26Å; E336-N338 PolarHBondContact O-N 3.17Å; E336-A339 PolarHBondContact O-N 2.88Å; E336-L340 VanDerWaalsContact O-CG 3.3Å; E336-L340 WeakPolarHBondContact O-CG 3.2Å; E336-L340 PolarHBondContact O-N 2.95Å; E336-R670 VanDerWaalsContact CD-CZ 3.41Å; E336-R670 IonicContact OE1-CZ 3.6Å; E336-R670 IonicContact OE1-NE 3.78Å; E336-R670 IonicContact OE1-NH1 3.89Å; E336-R670 PolarHBondContact OE1-NH1 2.8Å; E336-R670 IonicContact OE1-NH2 3.89Å; E336-R670 PolarHBondContact OE1-NH2 2.98Å; E336-R670 IonicContact OE2-CZ 2.82Å; E336-R670 IonicContact OE2-NE 2.83Å; E336-R670 IonicContact OE2-NH1 2.89Å; E336-R670 IonicContact OE2-NH2 3.48Å; E336-R670 PolarHBondContact OE2-NH2 3.34Å
337R88.3Confident88.4Confident51 Ų5128.7 Ų28.719%0.19215%0.154CC..Hα-helixtrans-59.4-47.7176.1-75.1-172.4-75.5133.10.9110.9H328 L332 T333 Q334 A339 L340 E341H328-R337 WeakPolarHBondContact CE1-CD 3.36Å; L332-R337 HydrophobicContact CB-CG 3.79Å; L332-R337 HydrophobicContact CD1-CG 4.22Å; T333-R337 WeakPolarHBondContact O-CG 2.94Å; T333-R337 PolarHBondContact O-N 3.49Å; Q334-R337 PolarHBondContact O-N 3.42Å; R337-A339 VanDerWaalsContact C-N 3.33Å; R337-A339 PolarHBondContact O-N 2.98Å; R337-L340 PolarHBondContact O-N 3.16Å; R337-E341 WeakPolarHBondContact O-CB 3.5Å; R337-E341 WeakPolarHBondContact O-CG 3.43Å; R337-E341 PolarHBondContact O-N 3.26Å
338N84.3Confident88.1Confident41 Ų4128.6 Ų28.622%0.21916%0.155CC..Hα-helixtrans-61.1-39.8177.7-67.6-8000112.4Q334 E335 E336 T342Q334-N338 PolarHBondContact NE2-OD1 3.33Å; Q334-N338 WeakPolarHBondContact O-CB 3.41Å; Q334-N338 PolarHBondContact O-N 3.09Å; Q334-N338 PolarHBondContact O-ND2 2.92Å; Q334-N338 PolarHBondContact O-OD1 3.39Å; E335-N338 PolarHBondContact O-N 3.39Å; E336-N338 PolarHBondContact O-N 3.17Å; N338-T342 WeakPolarHBondContact O-CB 3.33Å; N338-T342 PolarHBondContact O-N 3.2Å; N338-T342 PolarHBondContact O-OG1 2.96Å
339A86Confident88.1Confident24 Ų2428.4 Ų28.420%0.19815%0.154CC..Hα-helixtrans-64.8-44.2177.200000111.4L291 L295 E335 E336 R337 A343L291-A339 HydrophobicContact CD1-CB 4.1Å; L295-A339 HydrophobicContact CD2-CB 4.06Å; E335-A339 WeakPolarHBondContact O-CB 3.48Å; E335-A339 PolarHBondContact O-N 2.94Å; E336-A339 PolarHBondContact O-N 2.88Å; R337-A339 VanDerWaalsContact C-N 3.33Å; R337-A339 PolarHBondContact O-N 2.98Å; A339-A343 VanDerWaalsContact O-CB 3.28Å; A339-A343 WeakPolarHBondContact O-CB 3.43Å; A339-A343 PolarHBondContact O-N 3.45Å
340L92.1Very high88.1Confident0 Ų029 Ų290%016%0.156CC..Hα-helixtrans-67.8-38.9176.5-67.2177000112.5L291 L295 L317 A326 Y327 L332 E336 R337 A343 Y344L291-L340 HydrophobicContact CD2-CD2 4.31Å; L295-L340 HydrophobicContact CD1-CD2 4.16Å; L295-L340 HydrophobicContact CD2-CG 4.49Å; L317-L340 HydrophobicContact CD1-CD1 4.44Å; L317-L340 HydrophobicContact CD2-CD1 4.43Å; A326-L340 HydrophobicContact CB-CD1 4.36Å; A326-L340 HydrophobicContact CB-CD2 3.72Å; Y327-L340 VanDerWaalsContact O-CD1 3.22Å; Y327-L340 WeakPolarHBondContact O-CD1 3.43Å; L332-L340 HydrophobicContact CD1-CD1 3.67Å; E336-L340 VanDerWaalsContact O-CG 3.3Å; E336-L340 WeakPolarHBondContact O-CG 3.2Å; E336-L340 PolarHBondContact O-N 2.95Å; R337-L340 PolarHBondContact O-N 3.16Å; L340-A343 PolarHBondContact O-N 3.28Å; L340-Y344 WeakPolarHBondContact O-CB 3.43Å; L340-Y344 PolarHBondContact O-N 2.79Å
341E90.2Very high88.4Confident21 Ų2126.6 Ų26.610%0.09814%0.139CC..Hα-helixtrans-62.6-46.8175.1-72.2162.4-16300111.1H328 R337 Y344 I345 L364H328-E341 IonicContact CD2-OE1 4Å; H328-E341 IonicContact CE1-OE1 2.85Å; H328-E341 IonicContact NE2-OE1 2.64Å; H328-E341 PolarHBondContact NE2-OE1 2.94Å; R337-E341 WeakPolarHBondContact O-CB 3.5Å; R337-E341 WeakPolarHBondContact O-CG 3.43Å; R337-E341 PolarHBondContact O-N 3.26Å; E341-Y344 WeakPolarHBondContact O-CB 3.5Å; E341-Y344 PolarHBondContact O-N 3.04Å; E341-I345 WeakPolarHBondContact O-CG1 3.46Å; E341-I345 PolarHBondContact O-N 2.74Å; E341-L364 HydrophobicContact CB-CD1 4.14Å; E341-L364 HydrophobicContact CB-CD2 4.35Å; E341-L364 HydrophobicContact CG-CD1 3.63Å; E341-L364 HydrophobicContact CG-CG 4.44Å
342T86.9Confident88.8Confident61 Ų6126.3 Ų26.337%0.37414%0.136SC..Hα-helixtrans-61.2-47.6176.4-56.10000110.6N338 Y344 I345 E346N338-T342 WeakPolarHBondContact O-CB 3.33Å; N338-T342 PolarHBondContact O-N 3.2Å; N338-T342 PolarHBondContact O-OG1 2.96Å; T342-Y344 PolarHBondContact O-N 3.33Å; T342-I345 PolarHBondContact O-N 3.39Å; T342-E346 HydrophobicContact CG2-CG 4.47Å; T342-E346 WeakPolarHBondContact O-CB 3.5Å; T342-E346 WeakPolarHBondContact O-CG 3.48Å; T342-E346 PolarHBondContact O-N 3.14Å
343A90.8Very high89.2Confident4 Ų426.3 Ų26.33%0.03314%0.136CC..Hα-helixtrans-62.5-30.717700000113.2L291 A339 L340 G347 V348 I349L291-A343 HydrophobicContact CD1-CB 3.94Å; L291-A343 HydrophobicContact CD2-CB 3.46Å; L291-A343 VanDerWaalsContact CD2-CB 3.46Å; L291-A343 HydrophobicContact CG-CB 4.3Å; A339-A343 VanDerWaalsContact O-CB 3.28Å; A339-A343 WeakPolarHBondContact O-CB 3.43Å; A339-A343 PolarHBondContact O-N 3.45Å; L340-A343 PolarHBondContact O-N 3.28Å; A343-G347 PolarHBondContact O-N 3.32Å; A343-V348 HydrophobicContact CB-CB 4.09Å; A343-V348 HydrophobicContact CB-CG1 4.48Å; A343-V348 WeakPolarHBondContact O-CA 3.34Å; A343-V348 WeakPolarHBondContact O-CB 3.42Å; A343-V348 PolarHBondContact O-N 2.94Å; A343-I349 HydrophobicContact CB-CG1 3.95Å; A343-I349 PolarHBondContact O-N 2.87Å
344Y92.1Very high89.7Confident10 Ų1026.1 Ų26.14%0.03914%0.135CC..Hα-helixtrans-70.5-45.4174.2-172.8-90.3000111.8S242 L244 L340 E341 T342 E346 G347 I349 L352 L364 A366S242-Y344 WeakPolarHBondContact CB-OH 3.3Å; S242-Y344 PolarHBondContact OG-OH 3.47Å; L244-Y344 HydrophobicContact CD2-CE1 4.47Å; L244-Y344 HydrophobicContact CD2-CE2 4.08Å; L340-Y344 WeakPolarHBondContact O-CB 3.43Å; L340-Y344 PolarHBondContact O-N 2.79Å; E341-Y344 WeakPolarHBondContact O-CB 3.5Å; E341-Y344 PolarHBondContact O-N 3.04Å; T342-Y344 PolarHBondContact O-N 3.33Å; Y344-E346 VanDerWaalsContact C-N 3.31Å; Y344-E346 PolarHBondContact O-N 3.44Å; Y344-G347 PolarHBondContact O-N 2.88Å; Y344-I349 WeakPolarHBondContact CA-O 3.26Å; Y344-I349 HydrophobicContact CD2-CG2 4.2Å; Y344-L352 HydrophobicContact CD2-CB 3.96Å; Y344-L352 HydrophobicContact CE2-CB 3.93Å; Y344-L364 HydrophobicContact CD1-CD2 4.07Å; Y344-A366 WeakPolarHBondContact OH-CB 3.23Å
345I87.6Confident90.3Very high112 Ų11225.4 Ų25.457%0.57413%0.132SC*.Hα-helixtrans-62.2-40.5177.2-66.8165.1000110.9E341 T342 G347 L364E341-I345 WeakPolarHBondContact O-CG1 3.46Å; E341-I345 PolarHBondContact O-N 2.74Å; T342-I345 PolarHBondContact O-N 3.39Å; I345-G347 PolarHBondContact O-N 3.4Å; I345-L364 HydrophobicContact CD1-CD2 3.74Å; I345-L364 HydrophobicContact CG1-CD2 3.51Å
346E85.8Confident90.7Very high105 Ų10524.4 Ų24.449%0.49113%0.131SC..THydrogen-bonded Turntrans-74.6-7.2177-67.6175.3174.300113.1T342 Y344 V348T342-E346 HydrophobicContact CG2-CG 4.47Å; T342-E346 WeakPolarHBondContact O-CB 3.5Å; T342-E346 WeakPolarHBondContact O-CG 3.48Å; T342-E346 PolarHBondContact O-N 3.14Å; Y344-E346 VanDerWaalsContact C-N 3.31Å; Y344-E346 PolarHBondContact O-N 3.44Å; E346-V348 VanDerWaalsContact C-N 3.26Å; E346-V348 HydrophobicContact CB-CG2 4.08Å; E346-V348 PolarHBondContact O-N 3.49Å
347G87.2Confident90.5Very high11 Ų1127 Ų2711%0.11315%0.148CC..THydrogen-bonded Turntrans72.215.1-179.500000114.5A343 Y344 I345A343-G347 PolarHBondContact O-N 3.32Å; Y344-G347 PolarHBondContact O-N 2.88Å; I345-G347 PolarHBondContact O-N 3.4Å
348V89.7Confident90.5Very high4 Ų424.9 Ų24.92%0.02414%0.14CC..SBendtrans-66.3-44.5170.8179.70000109.6Q287 R288 L291 A343 E346Q287-V348 HydrophobicContact CB-CG1 4.04Å; Q287-V348 HydrophobicContact CB-CG2 3.98Å; Q287-V348 HydrophobicContact CG-CG2 4.49Å; R288-V348 HydrophobicContact CB-CG1 4.44Å; R288-V348 HydrophobicContact CG-CG1 3.58Å; R288-V348 PolarHBondContact NE-O 3.38Å; R288-V348 VanDerWaalsContact NE-O 3.1Å; L291-V348 HydrophobicContact CD2-CG1 4.45Å; A343-V348 HydrophobicContact CB-CB 4.09Å; A343-V348 HydrophobicContact CB-CG1 4.48Å; A343-V348 WeakPolarHBondContact O-CA 3.34Å; A343-V348 WeakPolarHBondContact O-CB 3.42Å; A343-V348 PolarHBondContact O-N 2.94Å; E346-V348 VanDerWaalsContact C-N 3.26Å; E346-V348 HydrophobicContact CB-CG2 4.08Å; E346-V348 PolarHBondContact O-N 3.49Å
349I94Very high90.2Very high0 Ų023.1 Ų23.10%013%0.131CC..  trans-100.8129.6167.3-59.9-58.7000108.2L291 V321 A326 A343 Y344 V351L291-I349 HydrophobicContact CD2-CD1 3.97Å; L291-I349 HydrophobicContact CD2-CG1 3.82Å; V321-I349 HydrophobicContact CG1-CD1 4.23Å; V321-I349 HydrophobicContact CG2-CD1 4.39Å; A326-I349 HydrophobicContact CB-CD1 4.34Å; A326-I349 HydrophobicContact CB-CG1 4.43Å; A326-I349 HydrophobicContact CB-CG2 4.08Å; A343-I349 HydrophobicContact CB-CG1 3.95Å; A343-I349 PolarHBondContact O-N 2.87Å; Y344-I349 WeakPolarHBondContact CA-O 3.26Å; Y344-I349 HydrophobicContact CD2-CG2 4.2Å; I349-V351 VanDerWaalsContact CG2-O 3.26Å; I349-V351 WeakPolarHBondContact CG2-O 3.45Å
350R92.7Very high89.6Confident14 Ų1423 Ų235%0.05313%0.13CC..  trans-108.5-21178.4-70.3-170.1-77.9142.9-3.4113.2L215 S242 C243 A268 C269 G324L215-R350 HydrophobicContact CD2-CB 3.68Å; S242-R350 CarbonylContact C-O 3.46Å; S242-R350 VanDerWaalsContact CA-O 3.25Å; S242-R350 WeakPolarHBondContact CA-O 3.4Å; C243-R350 PolarHBondContact N-O 3.35Å; A268-R350 VanDerWaalsContact O-CZ 3.25Å; A268-R350 PolarHBondContact O-NH1 3.42Å; A268-R350 PolarHBondContact O-NH2 3.24Å; C269-R350 VanDerWaalsContact C-NH2 3.26Å; C269-R350 PolarHBondContact O-NH2 2.97Å; G324-R350 PolarHBondContact O-N 2.91Å
351V96.6Very high88.5Confident1 Ų123.4 Ų23.41%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-124.3127179.1-173.30000109.8V211 L215 C243 V245 L260 G324 I325 A326 I349V211-V351 HydrophobicContact CG1-CG1 4.13Å; V211-V351 HydrophobicContact CG1-CG2 3.63Å; L215-V351 HydrophobicContact CD1-CG2 3.86Å; L215-V351 HydrophobicContact CD2-CG2 3.89Å; L215-V351 HydrophobicContact CG-CG2 4.24Å; C243-V351 HydrophobicContact CB-CG2 4.39Å; C243-V351 WeakPolarHBondContact O-CA 3.21Å; V245-V351 HydrophobicContact CG2-CG1 4.21Å; L260-V351 HydrophobicContact CD1-CG1 4.03Å; G324-V351 PolarHBondContact O-N 3.38Å; I325-V351 WeakPolarHBondContact CA-O 3.3Å; I325-V351 HydrophobicContact CG1-CB 4.05Å; I325-V351 HydrophobicContact CG1-CG2 4.34Å; I325-V351 HydrophobicContact CG2-CB 4.35Å; I325-V351 HydrophobicContact CG2-CG1 4.47Å; A326-V351 PolarHBondContact N-O 3.32Å; I349-V351 VanDerWaalsContact CG2-O 3.26Å; I349-V351 WeakPolarHBondContact CG2-O 3.45Å
352L97Very high87.9Confident0 Ų023.1 Ų23.10%013%0.134CC..EExtended strand (participates in β ladder)trans-125.3114.6176.8-164.369.1000110.8C243 L244 V245 A326 H328 Y344 L358 L364C243-L352 PolarHBondContact O-N 3.48Å; C243-L352 VanDerWaalsContact O-N 3.09Å; L244-L352 HydrophobicContact CD2-CB 3.76Å; L244-L352 HydrophobicContact CD2-CD2 4.19Å; V245-L352 PolarHBondContact N-O 3Å; A326-L352 HydrophobicContact CB-CD1 3.85Å; A326-L352 WeakPolarHBondContact O-CA 3.29Å; H328-L352 HydrophobicContact CB-CD1 4.01Å; H328-L352 HydrophobicContact CB-CD2 3.8Å; H328-L352 HydrophobicContact CB-CG 3.9Å; Y344-L352 HydrophobicContact CD2-CB 3.96Å; Y344-L352 HydrophobicContact CE2-CB 3.93Å; L352-L358 HydrophobicContact CD2-CD1 4.28Å; L352-L358 HydrophobicContact CD2-CD2 4.28Å; L352-L364 HydrophobicContact CD2-CD1 4.19Å
353C97.8Very high87.6Confident0 Ų025 Ų250%014%0.142CC..EExtended strand (participates in β ladder)trans-83.7116.5172.8-62.60000109.8V245 C253 A257 A326 Y327 H328V245-C353 CarbonylContact O-C 3.58Å; V245-C353 VanDerWaalsContact O-CA 3.31Å; V245-C353 WeakPolarHBondContact O-CA 3.22Å; C253-C353 HydrophobicContact CB-CB 4.49Å; A257-C353 HydrophobicContact CB-CB 4.13Å; A326-C353 PolarHBondContact O-N 3.33Å; Y327-C353 CarbonylContact C-O 3.53Å; Y327-C353 WeakPolarHBondContact CA-O 3.23Å; Y327-C353 VanDerWaalsContact CB-O 3.29Å; Y327-C353 WeakPolarHBondContact CB-O 3.18Å; H328-C353 PolarHBondContact N-O 3.15Å
354C96.3Very high87.4Confident0 Ų025 Ų250%014%0.142CC..EExtended strand (participates in β ladder)trans-134.2157.9-168.855.30000114V245 F246 C247 H328 L358V245-C354 PolarHBondContact O-N 3.14Å; F246-C354 CarbonylContact C-O 3.53Å; F246-C354 VanDerWaalsContact CA-O 3.29Å; F246-C354 WeakPolarHBondContact CA-O 3.34Å; F246-C354 VanDerWaalsContact CD1-SG 3.57Å; F246-C354 VanDerWaalsContact CE1-SG 3.55Å; C247-C354 PolarHBondContact N-O 2.97Å; H328-C354 HydrophobicContact CB-CB 4.25Å; H328-C354 WeakPolarHBondContact O-CA 3.33Å; H328-C354 WeakPolarHBondContact O-CB 3.41Å; C354-L358 HydrophobicContact CB-CB 3.84Å; C354-L358 HydrophobicContact CB-CD2 3.72Å; C354-L358 HydrophobicContact CB-CG 4.25Å; C354-L358 WeakPolarHBondContact SG-CD2 3.42Å
355T93.7Very high87.4Confident11 Ų1126.6 Ų26.67%0.06715%0.153CC..  trans-86167.2166.647.10000111.1C253 H328 H329 T357 L358C253-T355 WeakPolarHBondContact SG-CG2 3.34Å; H328-T355 PolarHBondContact O-N 2.83Å; H329-T355 HydrophobicContact CB-CG2 3.85Å; H329-T355 WeakPolarHBondContact CB-OG1 3.34Å; T355-T357 PolarHBondContact O-N 2.8Å; T355-T357 PolarHBondContact OG1-OG1 3.29Å; T355-L358 PolarHBondContact O-N 2.83Å
356S88.7Confident87.6Confident28 Ų2821.3 Ų21.320%0.19613%0.126CC..G310 helixtrans-50.6-27.717557.10000114.5L358 A359S356-L358 PolarHBondContact O-N 3.32Å; S356-L358 VanDerWaalsContact O-N 3.12Å; S356-A359 VanDerWaalsContact O-CB 3.27Å; S356-A359 WeakPolarHBondContact O-CB 3.37Å; S356-A359 PolarHBondContact O-N 3.48Å
357T83.4Confident87.9Confident70 Ų7017 Ų1743%0.42911%0.105SC..G310 helixtrans-55.2-28.2175.657.90000114.1T355 A359 A360T355-T357 PolarHBondContact O-N 2.8Å; T355-T357 PolarHBondContact OG1-OG1 3.29Å; T357-A359 VanDerWaalsContact C-N 3.31Å; T357-A360 PolarHBondContact O-N 2.93Å
358L87Confident88.3Confident5 Ų516.7 Ų16.73%0.02610%0.101CC..G310 helixtrans-66-37.4175.3-171.986000111.2L244 F246 H328 L352 C354 T355 S356 A360 V362 L364L244-L358 HydrophobicContact CD1-CD2 4.14Å; L244-L358 HydrophobicContact CD2-CD2 3.89Å; F246-L358 HydrophobicContact CE1-CB 4.27Å; H328-L358 HydrophobicContact CB-CD1 4.26Å; H328-L358 VanDerWaalsContact CE1-CD1 3.41Å; H328-L358 WeakPolarHBondContact CE1-CD1 3.34Å; H328-L358 WeakPolarHBondContact ND1-CD1 3.48Å; L352-L358 HydrophobicContact CD2-CD1 4.28Å; L352-L358 HydrophobicContact CD2-CD2 4.28Å; C354-L358 HydrophobicContact CB-CB 3.84Å; C354-L358 HydrophobicContact CB-CD2 3.72Å; C354-L358 HydrophobicContact CB-CG 4.25Å; C354-L358 WeakPolarHBondContact SG-CD2 3.42Å; T355-L358 PolarHBondContact O-N 2.83Å; S356-L358 PolarHBondContact O-N 3.32Å; S356-L358 VanDerWaalsContact O-N 3.12Å; L358-A360 PolarHBondContact O-N 3.01Å; L358-V362 HydrophobicContact CD1-CG2 3.83Å; L358-V362 HydrophobicContact CG-CG2 4.3Å; L358-L364 HydrophobicContact CD1-CD1 3.99Å
359A79.1Confident88.6Confident4 Ų416.5 Ų16.53%0.03310%0.099CC..THydrogen-bonded Turntrans-63.2-25-177.500000112.2F246 S356 T357 Q388 M389 R392F246-A359 HydrophobicContact CE1-CB 4.04Å; F246-A359 HydrophobicContact CZ-CB 3.99Å; S356-A359 VanDerWaalsContact O-CB 3.27Å; S356-A359 WeakPolarHBondContact O-CB 3.37Å; S356-A359 PolarHBondContact O-N 3.48Å; T357-A359 VanDerWaalsContact C-N 3.31Å; A359-Q388 HydrophobicContact CB-CB 4.1Å; A359-M389 HydrophobicContact CB-CG 4.06Å; A359-R392 PolarHBondContact O-NE 3.47Å; A359-R392 PolarHBondContact O-NH2 2.86Å
360A72.9Confident88.8Confident22 Ų2216.5 Ų16.518%0.18210%0.099CC..THydrogen-bonded Turntrans-98.5-10.1-171.600000115.1F18 T357 L358F18-A360 HydrophobicContact CD2-CB 4.45Å; F18-A360 WeakPolarHBondContact CD2-O 3.35Å; F18-A360 HydrophobicContact CE2-CB 3.52Å; F18-A360 WeakPolarHBondContact CE2-O 3.3Å; F18-A360 HydrophobicContact CZ-CB 3.83Å; T357-A360 PolarHBondContact O-N 2.93Å; L358-A360 PolarHBondContact O-N 3.01Å
361G69.3Low89Confident8 Ų816 Ų168%0.08210%0.097CC..THydrogen-bonded Turntrans-130.4-15.5-16000000118.9S20S20-G361 PolarHBondContact OG-O 2.87Å
362V77Confident89Confident15 Ų1517.3 Ų17.39%0.09110%0.102CC..SBendtrans-150149.6-171.6-68.10000111.5L358 L364 R392L358-V362 HydrophobicContact CD1-CG2 3.83Å; L358-V362 HydrophobicContact CG-CG2 4.3Å; V362-L364 HydrophobicContact CG2-CD1 4.16Å; V362-L364 HydrophobicContact CG2-CG 4.14Å; V362-L364 PolarHBondContact O-N 3.14Å; V362-R392 VanDerWaalsContact O-CZ 3.28Å; V362-R392 PolarHBondContact O-NH1 2.85Å; V362-R392 PolarHBondContact O-NH2 3.43Å
363N81Confident88.8Confident101 Ų10120.8 Ų20.854%0.5412%0.117SC..  trans-87.977.9179.4-170.623.5000112.8P365N363-P365 WeakPolarHBondContact O-CD 3.37Å
364L87.5Confident88.7Confident5 Ų520.8 Ų20.83%0.02612%0.117CC..  trans-11487.3174.7-67.8-178.1000111.9L244 E341 Y344 I345 L352 L358 V362L244-L364 WeakPolarHBondContact CD1-O 3.32Å; E341-L364 HydrophobicContact CB-CD1 4.14Å; E341-L364 HydrophobicContact CB-CD2 4.35Å; E341-L364 HydrophobicContact CG-CD1 3.63Å; E341-L364 HydrophobicContact CG-CG 4.44Å; Y344-L364 HydrophobicContact CD1-CD2 4.07Å; I345-L364 HydrophobicContact CD1-CD2 3.74Å; I345-L364 HydrophobicContact CG1-CD2 3.51Å; L352-L364 HydrophobicContact CD2-CD1 4.19Å; L358-L364 HydrophobicContact CD1-CD1 3.99Å; V362-L364 HydrophobicContact CG2-CD1 4.16Å; V362-L364 HydrophobicContact CG2-CG 4.14Å; V362-L364 PolarHBondContact O-N 3.14Å
365P90.4Very high88.6Confident43 Ų4323.8 Ų23.828%0.27913%0.129SC..  trans-77.6151173.131.5-33.6000111.8N363 R392 R395N363-P365 WeakPolarHBondContact O-CD 3.37Å; P365-R392 CarbonylContact C-O 3.46Å; P365-R392 WeakPolarHBondContact CA-O 3.36Å; P365-R395 HydrophobicContact CB-CB 4.47Å; P365-R395 HydrophobicContact CB-CG 3.88Å; P365-R395 HydrophobicContact CG-CB 4.49Å; P365-R395 HydrophobicContact CG-CG 4.03Å; P365-R395 WeakPolarHBondContact O-CG 3.41Å
366A93.1Very high88.3Confident0 Ų024.9 Ų24.90%014%0.136CC..BIsolated β-bridgetrans-138.4149.9-177.700000111.7S242 L244 Y344 R368 R392 A393 G394S242-A366 WeakPolarHBondContact OG-CA 3.5Å; L244-A366 HydrophobicContact CB-CB 4.33Å; L244-A366 HydrophobicContact CD1-CB 3.89Å; L244-A366 HydrophobicContact CG-CB 3.61Å; Y344-A366 WeakPolarHBondContact OH-CB 3.23Å; A366-R368 VanDerWaalsContact C-N 3.29Å; A366-R368 PolarHBondContact O-N 3.05Å; A366-R392 PolarHBondContact N-O 3.07Å; A366-A393 CarbonylContact O-C 3.58Å; A366-A393 VanDerWaalsContact O-CA 3.26Å; A366-A393 WeakPolarHBondContact O-CA 3.23Å; A366-G394 PolarHBondContact O-N 3.12Å
367R91.9Very high88.4Confident16 Ų1625.7 Ų25.76%0.0615%0.148CC..SBendtrans-56.5-47.2176.8174.364.6179.9-160.2-0.7111.2S219 F241 S242 D399 S400 V401 E403S219-R367 PolarHBondContact OG-NH2 2.84Å; F241-R367 HydrophobicContact CB-CB 4.27Å; F241-R367 HydrophobicContact CB-CG 4.4Å; F241-R367 HydrophobicContact CD1-CB 4Å; F241-R367 HydrophobicContact CD1-CG 3.65Å; F241-R367 HydrophobicContact CE1-CG 4.39Å; F241-R367 HydrophobicContact CG-CG 4.34Å; S242-R367 WeakPolarHBondContact O-CB 2.86Å; S242-R367 PolarHBondContact O-N 2.98Å; R367-D399 WeakPolarHBondContact CA-OD2 3.43Å; R367-S400 PolarHBondContact NH1-OG 2.83Å; R367-V401 WeakPolarHBondContact CD-O 3.48Å; R367-V401 PolarHBondContact NE-O 2.73Å; R367-V401 PolarHBondContact NH1-O 3.03Å; R367-E403 PolarHBondContact O-N 2.86Å; R367-E403 VanDerWaalsContact O-N 3.17Å
368R95.1Very high88.6Confident4 Ų427.9 Ų27.92%0.01517%0.167CC..EExtended strand (participates in β ladder)trans-126.2138.1178.8-165.2175-68.7166.6-3.5111.6L210 E213 T214 H218 S242 C243 L244 A366 I370 E403L210-R368 PolarHBondContact O-NH1 3.18Å; L210-R368 VanDerWaalsContact O-NH1 3.11Å; E213-R368 IonicContact OE2-NH1 3.7Å; E213-R368 PolarHBondContact OE2-NH1 3.22Å; T214-R368 HydrophobicContact CG2-CB 3.63Å; T214-R368 VanDerWaalsContact OG1-CD 3.24Å; T214-R368 WeakPolarHBondContact OG1-CD 3.47Å; T214-R368 PolarHBondContact OG1-NE 3.28Å; T214-R368 PolarHBondContact OG1-NH1 2.88Å; H218-R368 PolarHBondContact O-NH2 2.95Å; S242-R368 PolarHBondContact O-N 3.24Å; C243-R368 WeakPolarHBondContact CA-O 3.16Å; L244-R368 PolarHBondContact N-O 3.29Å; A366-R368 VanDerWaalsContact C-N 3.29Å; A366-R368 PolarHBondContact O-N 3.05Å; R368-I370 HydrophobicContact CG-CG1 4.31Å; R368-E403 CarbonylContact C-O 3.56Å; R368-E403 VanDerWaalsContact CA-O 3.26Å; R368-E403 WeakPolarHBondContact CA-O 3.43Å; R368-E403 HydrophobicContact CG-CB 4.15Å; R368-E403 WeakPolarHBondContact CG-O 3.37Å; R368-E403 IonicContact CZ-OE2 3.15Å; R368-E403 VanDerWaalsContact CZ-OE2 3.24Å; R368-E403 IonicContact NE-OE2 2.89Å; R368-E403 PolarHBondContact NE-OE2 3.26Å; R368-E403 IonicContact NH2-OE2 3.27Å; R368-E403 PolarHBondContact NH2-OE2 3.08Å
369V96.7Very high88.8Confident0 Ų030.8 Ų30.80%019%0.187CC..EExtended strand (participates in β ladder)trans-111.4129.4169.8173.30000108.6L244 F246 R392 A393 E403 S404 I405L244-V369 HydrophobicContact CB-CG2 4.32Å; L244-V369 HydrophobicContact CD1-CG2 4.4Å; L244-V369 CarbonylContact O-C 3.47Å; F246-V369 HydrophobicContact CD2-CG1 3.56Å; F246-V369 HydrophobicContact CE2-CG1 3.59Å; V369-R392 HydrophobicContact CG2-CB 4.01Å; V369-A393 HydrophobicContact CB-CB 4.18Å; V369-A393 HydrophobicContact CG2-CB 3.77Å; V369-E403 PolarHBondContact N-O 3.05Å; V369-S404 CarbonylContact O-C 3.59Å; V369-S404 VanDerWaalsContact O-CA 3.25Å; V369-S404 WeakPolarHBondContact O-CA 3.41Å; V369-I405 PolarHBondContact O-N 3.41Å
370I97.4Very high89.4Confident0 Ų033.1 Ų33.10%020%0.197CC..EExtended strand (participates in β ladder)trans-116.9121.7175.9-56.9175.3000108.4L207 L210 V211 L244 V245 F246 R368 I405 I407L207-I370 HydrophobicContact CD1-CB 4.46Å; L207-I370 HydrophobicContact CD1-CD1 4.1Å; L207-I370 HydrophobicContact CD1-CG2 3.72Å; L210-I370 HydrophobicContact CB-CD1 3.67Å; L210-I370 HydrophobicContact CD1-CD1 4.43Å; V211-I370 HydrophobicContact CG2-CD1 3.91Å; L244-I370 PolarHBondContact O-N 2.97Å; V245-I370 CarbonylContact C-O 3.56Å; V245-I370 WeakPolarHBondContact CA-O 3.49Å; V245-I370 HydrophobicContact CG2-CB 4.46Å; F246-I370 PolarHBondContact N-O 3.22Å; R368-I370 HydrophobicContact CG-CG1 4.31Å; I370-I405 CarbonylContact C-O 3.52Å; I370-I405 VanDerWaalsContact CA-O 3.3Å; I370-I405 WeakPolarHBondContact CA-O 3.14Å; I370-I405 HydrophobicContact CG1-CB 4.49Å; I370-I407 HydrophobicContact CG2-CD1 4.12Å; I370-I407 HydrophobicContact CG2-CG1 4.33Å
371I97.3Very high90.2Very high2 Ų232.4 Ų32.41%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-94.1103.8169.3-60.8174.5000106.7F246 K373 L381 Y386 M389 V390 I405 T406 I407F246-I371 HydrophobicContact CB-CG1 4.29Å; F246-I371 HydrophobicContact CD2-CG1 4.4Å; I371-K373 VanDerWaalsContact C-N 3.33Å; I371-K373 VanDerWaalsContact CG2-O 3.32Å; I371-K373 WeakPolarHBondContact CG2-O 3.49Å; I371-K373 PolarHBondContact O-N 2.89Å; I371-L381 HydrophobicContact CD1-CD1 4.44Å; I371-L381 HydrophobicContact CG2-CD1 4.01Å; I371-Y386 HydrophobicContact CD1-CD2 3.72Å; I371-Y386 HydrophobicContact CD1-CE2 3.81Å; I371-M389 HydrophobicContact CD1-CB 4.04Å; I371-M389 HydrophobicContact CD1-SD 3.94Å; I371-M389 HydrophobicContact CG1-CB 4.45Å; I371-M389 HydrophobicContact CG1-SD 4.13Å; I371-V390 HydrophobicContact CD1-CG1 4.02Å; I371-I405 PolarHBondContact N-O 3.34Å; I371-T406 HydrophobicContact CB-CG2 4.15Å; I371-T406 HydrophobicContact CG2-CG2 4.17Å; I371-I407 PolarHBondContact O-N 3.17Å
372R95.6Very high90.8Very high30 Ų3034.1 Ų34.111%0.11320%0.2CC..SBendtrans-66.2-36.8-174.7-173.5-179.5-179.4165.85.3112.2D205 L207 V245 F246 T256D205-R372 IonicContact OD2-CZ 2.63Å; D205-R372 IonicContact OD2-NE 2.96Å; D205-R372 PolarHBondContact OD2-NE 3.47Å; D205-R372 VanDerWaalsContact OD2-NE 3.15Å; D205-R372 IonicContact OD2-NH2 3.06Å; D205-R372 PolarHBondContact OD2-NH2 3.18Å; L207-R372 HydrophobicContact CD2-CG 4.46Å; V245-R372 HydrophobicContact CG1-CB 4.36Å; F246-R372 WeakPolarHBondContact O-CB 3.38Å; F246-R372 PolarHBondContact O-N 3.48Å; T256-R372 PolarHBondContact OG1-NH1 3.01Å
373K94.7Very high90.9Very high72 Ų7234.3 Ų34.331%0.31320%0.202SC..SBendtrans-145.1141.4173.7-68-165.1173.4-172.20109.3P248 I371 Y375P248-K373 HydrophobicContact CG-CB 4.28Å; P248-K373 HydrophobicContact CG-CD 4.39Å; I371-K373 VanDerWaalsContact C-N 3.33Å; I371-K373 VanDerWaalsContact CG2-O 3.32Å; I371-K373 WeakPolarHBondContact CG2-O 3.49Å; I371-K373 PolarHBondContact O-N 2.89Å; K373-Y375 HydrophobicContact CB-CD2 4.19Å; K373-Y375 PolarHBondContact O-N 3.07Å
374P94.4Very high90.8Very high0 Ų031 Ų310%019%0.186CC..SBendtrans-79.447.5-177.536-39.9000112.8F380 L381 L408 E412 F416P374-F380 HydrophobicContact CB-CD2 4.44Å; P374-F380 HydrophobicContact CB-CE1 4.45Å; P374-F380 HydrophobicContact CB-CE2 3.74Å; P374-F380 HydrophobicContact CB-CZ 3.74Å; P374-F380 HydrophobicContact CG-CD2 4.27Å; P374-F380 HydrophobicContact CG-CE2 3.47Å; P374-F380 VanDerWaalsContact CG-CE2 3.47Å; P374-F380 HydrophobicContact CG-CZ 3.88Å; P374-F380 WeakPolarHBondContact O-CD2 3.35Å; P374-L381 HydrophobicContact CB-CD1 4.2Å; P374-L381 PolarHBondContact O-N 2.95Å; P374-L408 HydrophobicContact CB-CD2 4.14Å; P374-L408 HydrophobicContact CG-CD2 3.7Å; P374-E412 HydrophobicContact CG-CB 4.39Å; P374-E412 HydrophobicContact CG-CG 4.44Å; P374-F416 HydrophobicContact CB-CD2 4.5Å
375Y94.4Very high90.6Very high63 Ų6333.7 Ų33.725%0.24720%0.199CC..EExtended strand (participates in β ladder)trans-135.3152.4-177.2-65-96.5000112.3P248 K373 S379 F380 E412P248-Y375 WeakPolarHBondContact CA-O 3.05Å; P248-Y375 WeakPolarHBondContact CB-O 3.28Å; K373-Y375 HydrophobicContact CB-CD2 4.19Å; K373-Y375 PolarHBondContact O-N 3.07Å; Y375-S379 CarbonylContact C-O 3.56Å; Y375-S379 VanDerWaalsContact CA-O 3.27Å; Y375-S379 WeakPolarHBondContact CA-O 3.04Å; Y375-F380 HydrophobicContact CD1-CD2 4.38Å; Y375-F380 HydrophobicContact CE1-CB 4.43Å; Y375-F380 AromaticContact CE1-CD2 3.91Å; Y375-F380 HydrophobicContact CE1-CD2 3.91Å; Y375-F380 HydrophobicContact CE2-CD2 4.22Å; Y375-F380 HydrophobicContact CE2-CE2 4.45Å; Y375-F380 AromaticContact CZ-CD2 3.82Å; Y375-E412 HydrophobicContact CE2-CG 4.15Å; Y375-E412 VanDerWaalsContact CE2-OE1 3.29Å; Y375-E412 WeakPolarHBondContact CE2-OE1 3.38Å
376V88.5Confident90.6Very high35 Ų3531.7 Ų31.721%0.21219%0.185CC..EExtended strand (participates in β ladder)trans-117.7113.1162.2-179.50000107.1S378 S379 L381 M389V376-S378 PolarHBondContact O-N 3.12Å; V376-S378 VanDerWaalsContact O-N 3.09Å; V376-S379 PolarHBondContact N-O 3.48Å; V376-S379 PolarHBondContact O-N 3.3Å; V376-S379 VanDerWaalsContact O-N 3.08Å; V376-S379 PolarHBondContact O-OG 2.85Å; V376-L381 HydrophobicContact CG2-CD2 3.54Å; V376-M389 HydrophobicContact CG2-CE 4.49Å
377G89.6Confident90.3Very high44 Ų4434.5 Ų34.545%0.45420%0.198SC..THydrogen-bonded Turntrans61.3-116.5-170.600000110.7P248P248-G377 PolarHBondContact O-N 2.82Å
378S88.1Confident90.1Very high117 Ų11736.2 Ų36.282%0.81821%0.207SC*.THydrogen-bonded Turntrans-102-12.1176.253.30000114V376V376-S378 PolarHBondContact O-N 3.12Å; V376-S378 VanDerWaalsContact O-N 3.09Å
379S90.2Very high89.9Confident65 Ų6536.3 Ų36.346%0.45521%0.208SC..EExtended strand (participates in β ladder)trans-89.2140.3-178.353.10000111.1Y375 V376Y375-S379 CarbonylContact C-O 3.56Å; Y375-S379 VanDerWaalsContact CA-O 3.27Å; Y375-S379 WeakPolarHBondContact CA-O 3.04Å; V376-S379 PolarHBondContact N-O 3.48Å; V376-S379 PolarHBondContact O-N 3.3Å; V376-S379 VanDerWaalsContact O-N 3.08Å; V376-S379 PolarHBondContact O-OG 2.85Å
380F92.6Very high89.8Confident53 Ų5336.5 Ų36.523%0.23221%0.209CC..EExtended strand (participates in β ladder)trans-63.3150.2170.9-158.2-97.4000110.3P374 Y375 E412 F416 L419P374-F380 HydrophobicContact CB-CD2 4.44Å; P374-F380 HydrophobicContact CB-CE1 4.45Å; P374-F380 HydrophobicContact CB-CE2 3.74Å; P374-F380 HydrophobicContact CB-CZ 3.74Å; P374-F380 HydrophobicContact CG-CD2 4.27Å; P374-F380 HydrophobicContact CG-CE2 3.47Å; P374-F380 VanDerWaalsContact CG-CE2 3.47Å; P374-F380 HydrophobicContact CG-CZ 3.88Å; P374-F380 WeakPolarHBondContact O-CD2 3.35Å; Y375-F380 HydrophobicContact CD1-CD2 4.38Å; Y375-F380 HydrophobicContact CE1-CB 4.43Å; Y375-F380 AromaticContact CE1-CD2 3.91Å; Y375-F380 HydrophobicContact CE1-CD2 3.91Å; Y375-F380 HydrophobicContact CE2-CD2 4.22Å; Y375-F380 HydrophobicContact CE2-CE2 4.45Å; Y375-F380 AromaticContact CZ-CD2 3.82Å; F380-E412 HydrophobicContact CE2-CB 4.49Å; F380-F416 HydrophobicContact CZ-CB 4.01Å; F380-F416 HydrophobicContact CZ-CD2 4.3Å; F380-L419 HydrophobicContact CD1-CD1 4.17Å; F380-L419 HydrophobicContact CE1-CB 4.19Å; F380-L419 HydrophobicContact CE1-CD1 3.74Å
381L89.4Confident89.3Confident8 Ų838.3 Ų38.34%0.04223%0.228CC..PPolyproline II helixtrans-58.8143.7178.6-73.8169.2000111.8I371 P374 V376 Q385 M389 L419I371-L381 HydrophobicContact CD1-CD1 4.44Å; I371-L381 HydrophobicContact CG2-CD1 4.01Å; P374-L381 HydrophobicContact CB-CD1 4.2Å; P374-L381 PolarHBondContact O-N 2.95Å; V376-L381 HydrophobicContact CG2-CD2 3.54Å; L381-Q385 HydrophobicContact CD2-CB 4.02Å; L381-M389 HydrophobicContact CD1-SD 4.2Å; L381-M389 HydrophobicContact CD2-CE 3.59Å; L381-M389 HydrophobicContact CD2-SD 4.02Å; L381-L419 HydrophobicContact CB-CD1 3.84Å; L381-L419 WeakPolarHBondContact O-CD1 3.34Å
382S82.8Confident89Confident43 Ų4340.6 Ų40.630%0.30124%0.236SC..PPolyproline II helixtrans-81160.8163.271.40000111.1T384 Q385 Y386S382-T384 VanDerWaalsContact C-N 3.28Å; S382-T384 PolarHBondContact O-N 3.21Å; S382-T384 PolarHBondContact OG-OG1 2.86Å; S382-Q385 PolarHBondContact O-N 3.48Å; S382-Q385 WeakPolarHBondContact OG-CB 3.11Å; S382-Q385 WeakPolarHBondContact OG-CG 2.86Å; S382-Q385 PolarHBondContact OG-N 2.89Å; S382-Q385 VanDerWaalsContact OG-N 3.14Å; S382-Y386 WeakPolarHBondContact O-CB 2.97Å; S382-Y386 PolarHBondContact O-N 3.03Å
383S79.5Confident88.9Confident19 Ų1939.2 Ų39.213%0.13323%0.231CC..Hα-helixtrans-50.9-47170.6165.70000112Y386 Q387 I423S383-Y386 PolarHBondContact O-N 3.17Å; S383-Q387 WeakPolarHBondContact O-CG 3.34Å; S383-Q387 PolarHBondContact O-N 3.45Å; S383-I423 WeakPolarHBondContact OG-CG1 3.43Å
384T77.6Confident88.7Confident32 Ų3236.2 Ų36.220%0.19622%0.22CC..Hα-helixtrans-63.8-45.9-179.9520000112.6S382 Y386 Q387 Q388S382-T384 VanDerWaalsContact C-N 3.28Å; S382-T384 PolarHBondContact O-N 3.21Å; S382-T384 PolarHBondContact OG-OG1 2.86Å; T384-Y386 VanDerWaalsContact C-N 3.34Å; T384-Y386 PolarHBondContact O-N 2.87Å; T384-Q387 PolarHBondContact O-N 3.31Å; T384-Q388 VanDerWaalsContact O-CG 3.29Å; T384-Q388 WeakPolarHBondContact O-CG 3.46Å; T384-Q388 PolarHBondContact O-N 3.31Å
385Q84.7Confident88.3Confident62 Ų6237.9 Ų37.929%0.2923%0.227SC..Hα-helixtrans-63.6-41.9177.9-72.6170.5-12.900111.6L381 S382 Q388 M389L381-Q385 HydrophobicContact CD2-CB 4.02Å; S382-Q385 PolarHBondContact O-N 3.48Å; S382-Q385 WeakPolarHBondContact OG-CB 3.11Å; S382-Q385 WeakPolarHBondContact OG-CG 2.86Å; S382-Q385 PolarHBondContact OG-N 2.89Å; S382-Q385 VanDerWaalsContact OG-N 3.14Å; Q385-Q388 PolarHBondContact O-N 3.29Å; Q385-M389 VanDerWaalsContact O-CG 3.31Å; Q385-M389 WeakPolarHBondContact O-CG 3.34Å; Q385-M389 PolarHBondContact O-N 3.07Å
386Y89.8Confident87.8Confident0 Ų038 Ų380%024%0.241CC..Hα-helixtrans-59.4-51.6175.7175.6-97.8000111.1E155 I371 S382 S383 T384 Q388 M389 V390 T406 F416 L419 L420 I423E155-Y386 WeakPolarHBondContact OE2-CE1 3.44Å; E155-Y386 PolarHBondContact OE2-OH 3.39Å; E155-Y386 VanDerWaalsContact OE2-OH 3.11Å; I371-Y386 HydrophobicContact CD1-CD2 3.72Å; I371-Y386 HydrophobicContact CD1-CE2 3.81Å; S382-Y386 WeakPolarHBondContact O-CB 2.97Å; S382-Y386 PolarHBondContact O-N 3.03Å; S383-Y386 PolarHBondContact O-N 3.17Å; T384-Y386 VanDerWaalsContact C-N 3.34Å; T384-Y386 PolarHBondContact O-N 2.87Å; Y386-Q388 VanDerWaalsContact C-N 3.32Å; Y386-Q388 PolarHBondContact O-N 3.48Å; Y386-M389 WeakPolarHBondContact O-CB 3.36Å; Y386-M389 PolarHBondContact O-N 3.29Å; Y386-M389 VanDerWaalsContact O-N 3.1Å; Y386-V390 HydrophobicContact CD1-CG1 4.47Å; Y386-V390 HydrophobicContact CD1-CG2 4.44Å; Y386-V390 HydrophobicContact CD2-CG1 4.27Å; Y386-V390 HydrophobicContact CE1-CG1 4.05Å; Y386-V390 HydrophobicContact CE1-CG2 4.21Å; Y386-V390 HydrophobicContact CE2-CG1 3.81Å; Y386-V390 WeakPolarHBondContact O-CG2 3.49Å; Y386-V390 PolarHBondContact O-N 2.93Å; Y386-T406 WeakPolarHBondContact CE2-OG1 3.48Å; Y386-F416 HydrophobicContact CD2-CE2 4.08Å; Y386-F416 AromaticContact CE2-CE2 3.67Å; Y386-F416 HydrophobicContact CE2-CE2 3.67Å; Y386-F416 AromaticContact CE2-CZ 3.72Å; Y386-F416 HydrophobicContact CE2-CZ 3.72Å; Y386-F416 AromaticContact CZ-CZ 3.89Å; Y386-L419 HydrophobicContact CD1-CD2 3.94Å; Y386-L419 HydrophobicContact CD2-CD2 4.37Å; Y386-L419 HydrophobicContact CG-CD2 3.8Å; Y386-L420 HydrophobicContact CE1-CD2 4Å; Y386-I423 HydrophobicContact CD1-CD1 3.57Å; Y386-I423 HydrophobicContact CE1-CD1 3.93Å
387Q86Confident87.5Confident59 Ų5940.5 Ų40.528%0.27627%0.273SS..Hα-helixtrans-58.2-41.9178.2-74.9-178.2-2400112.5S383 T384 M389 G391 I423S383-Q387 WeakPolarHBondContact O-CG 3.34Å; S383-Q387 PolarHBondContact O-N 3.45Å; T384-Q387 PolarHBondContact O-N 3.31Å; Q387-M389 VanDerWaalsContact C-N 3.34Å; Q387-M389 PolarHBondContact O-N 2.81Å; Q387-G391 WeakPolarHBondContact O-CA 3.48Å; Q387-G391 PolarHBondContact O-N 3.07Å; Q387-I423 HydrophobicContact CG-CD1 4.14Å; Q387-I423 HydrophobicContact CG-CG1 4.31Å; Q387-I423 VanDerWaalsContact NE2-CG2 3.31Å
388Q87.2Confident87.1Confident52 Ų5244 Ų4424%0.24328%0.281CS..Hα-helixtrans-62.9-38.4176.2-74.2172.8-13.400112.3H94 A359 T384 Q385 Y386H94-Q388 PolarHBondContact NE2-NE2 3.45Å; A359-Q388 HydrophobicContact CB-CB 4.1Å; T384-Q388 VanDerWaalsContact O-CG 3.29Å; T384-Q388 WeakPolarHBondContact O-CG 3.46Å; T384-Q388 PolarHBondContact O-N 3.31Å; Q385-Q388 PolarHBondContact O-N 3.29Å; Y386-Q388 VanDerWaalsContact C-N 3.32Å; Y386-Q388 PolarHBondContact O-N 3.48Å
389M92.4Very high86.9Confident6 Ų639 Ų393%0.0325%0.245CC..Hα-helixtrans-68.5-54.2177.2-70.7177.3-177.600111.8F246 A359 I371 V376 L381 Q385 Y386 Q387 G391 R392F246-M389 HydrophobicContact CB-SD 4.08Å; F246-M389 HydrophobicContact CD1-CE 4.04Å; F246-M389 HydrophobicContact CD1-CG 3.95Å; F246-M389 HydrophobicContact CD1-SD 4.08Å; F246-M389 HydrophobicContact CD2-CB 3.86Å; F246-M389 HydrophobicContact CD2-CG 3.92Å; F246-M389 HydrophobicContact CD2-SD 4.21Å; F246-M389 HydrophobicContact CE1-CG 3.9Å; F246-M389 HydrophobicContact CE2-CB 3.69Å; F246-M389 HydrophobicContact CE2-CG 3.87Å; F246-M389 HydrophobicContact CG-CB 4.4Å; F246-M389 HydrophobicContact CG-CE 4.35Å; F246-M389 HydrophobicContact CG-CG 3.96Å; F246-M389 HydrophobicContact CG-SD 3.86Å; F246-M389 HydrophobicContact CZ-CB 4.08Å; F246-M389 HydrophobicContact CZ-CG 3.86Å; A359-M389 HydrophobicContact CB-CG 4.06Å; I371-M389 HydrophobicContact CD1-CB 4.04Å; I371-M389 HydrophobicContact CD1-SD 3.94Å; I371-M389 HydrophobicContact CG1-CB 4.45Å; I371-M389 HydrophobicContact CG1-SD 4.13Å; V376-M389 HydrophobicContact CG2-CE 4.49Å; L381-M389 HydrophobicContact CD1-SD 4.2Å; L381-M389 HydrophobicContact CD2-CE 3.59Å; L381-M389 HydrophobicContact CD2-SD 4.02Å; Q385-M389 VanDerWaalsContact O-CG 3.31Å; Q385-M389 WeakPolarHBondContact O-CG 3.34Å; Q385-M389 PolarHBondContact O-N 3.07Å; Y386-M389 WeakPolarHBondContact O-CB 3.36Å; Y386-M389 PolarHBondContact O-N 3.29Å; Y386-M389 VanDerWaalsContact O-N 3.1Å; Q387-M389 VanDerWaalsContact C-N 3.34Å; Q387-M389 PolarHBondContact O-N 2.81Å; M389-G391 PolarHBondContact O-N 2.85Å; M389-R392 WeakPolarHBondContact O-CB 3.38Å; M389-R392 PolarHBondContact O-N 3.24Å; M389-R392 VanDerWaalsContact O-N 3.16Å
390V92.9Very high86.6Confident4 Ų440.3 Ų40.32%0.02425%0.254CS..Hα-helixtrans-69-25.8-178.1-55.50000112.2R149 L153 I371 Y386 R392 A393R149-V390 PolarHBondContact NH2-O 3.21Å; L153-V390 HydrophobicContact CD2-CB 4.22Å; L153-V390 HydrophobicContact CD2-CG2 3.99Å; I371-V390 HydrophobicContact CD1-CG1 4.02Å; Y386-V390 HydrophobicContact CD1-CG1 4.47Å; Y386-V390 HydrophobicContact CD1-CG2 4.44Å; Y386-V390 HydrophobicContact CD2-CG1 4.27Å; Y386-V390 HydrophobicContact CE1-CG1 4.05Å; Y386-V390 HydrophobicContact CE1-CG2 4.21Å; Y386-V390 HydrophobicContact CE2-CG1 3.81Å; Y386-V390 WeakPolarHBondContact O-CG2 3.49Å; Y386-V390 PolarHBondContact O-N 2.93Å; V390-R392 PolarHBondContact O-N 2.89Å; V390-R392 VanDerWaalsContact O-N 3.11Å; V390-A393 WeakPolarHBondContact O-CB 3.24Å; V390-A393 PolarHBondContact O-N 2.92Å
391G88.9Confident86.3Confident38 Ų3838.7 Ų38.739%0.39225%0.249SC..THydrogen-bonded Turntrans-57.7-20.8171.800000113.9R149 Q387 M389 A393R149-G391 PolarHBondContact NH2-O 3.35Å; R149-G391 VanDerWaalsContact NH2-O 3.1Å; Q387-G391 WeakPolarHBondContact O-CA 3.48Å; Q387-G391 PolarHBondContact O-N 3.07Å; M389-G391 PolarHBondContact O-N 2.85Å; G391-A393 VanDerWaalsContact C-N 3.3Å; G391-A393 PolarHBondContact O-N 3.18Å
392R90.8Very high86.4Confident51 Ų5138.3 Ų38.319%0.19225%0.247CC..THydrogen-bonded Turntrans-79.3-7.5176.3-57.9-62.8178.2-178.9-0.8114.2L244 A359 V362 P365 A366 V369 M389 V390L244-R392 HydrophobicContact CD1-CB 3.98Å; A359-R392 PolarHBondContact O-NE 3.47Å; A359-R392 PolarHBondContact O-NH2 2.86Å; V362-R392 VanDerWaalsContact O-CZ 3.28Å; V362-R392 PolarHBondContact O-NH1 2.85Å; V362-R392 PolarHBondContact O-NH2 3.43Å; P365-R392 CarbonylContact C-O 3.46Å; P365-R392 WeakPolarHBondContact CA-O 3.36Å; A366-R392 PolarHBondContact N-O 3.07Å; V369-R392 HydrophobicContact CG2-CB 4.01Å; M389-R392 WeakPolarHBondContact O-CB 3.38Å; M389-R392 PolarHBondContact O-N 3.24Å; M389-R392 VanDerWaalsContact O-N 3.16Å; V390-R392 PolarHBondContact O-N 2.89Å; V390-R392 VanDerWaalsContact O-N 3.11Å
393A92.8Very high87Confident0 Ų036.3 Ų36.30%023%0.233CC..BIsolated β-bridgetrans-77.1140.3178.400000112.5R149 L153 A366 V369 V390 G391 E403R149-A393 PolarHBondContact NH2-O 2.87Å; L153-A393 HydrophobicContact CD1-CB 3.65Å; A366-A393 CarbonylContact O-C 3.58Å; A366-A393 VanDerWaalsContact O-CA 3.26Å; A366-A393 WeakPolarHBondContact O-CA 3.23Å; V369-A393 HydrophobicContact CB-CB 4.18Å; V369-A393 HydrophobicContact CG2-CB 3.77Å; V390-A393 WeakPolarHBondContact O-CB 3.24Å; V390-A393 PolarHBondContact O-N 2.92Å; G391-A393 VanDerWaalsContact C-N 3.3Å; G391-A393 PolarHBondContact O-N 3.18Å; A393-E403 WeakPolarHBondContact CB-O 3.45Å
394G90.4Very high87.7Confident9 Ų935.4 Ų35.49%0.09323%0.226CC..SBendtrans80.6126.8-174.700000113.5A366 G402A366-G394 PolarHBondContact O-N 3.12Å; G394-G402 VanDerWaalsContact CA-CA 3.45Å; G394-G402 VanDerWaalsContact N-CA 3.3Å
395R86.1Confident88.6Confident36 Ų3634 Ų3414%0.13622%0.217CC..  trans-100.6114.5174.8-59.8172.2-62.8172.94.7110.6R240 P365 G397 L398 D399R240-R395 VanDerWaalsContact O-CZ 3.24Å; R240-R395 PolarHBondContact O-NH1 2.64Å; R240-R395 PolarHBondContact O-NH2 2.96Å; P365-R395 HydrophobicContact CB-CB 4.47Å; P365-R395 HydrophobicContact CB-CG 3.88Å; P365-R395 HydrophobicContact CG-CB 4.49Å; P365-R395 HydrophobicContact CG-CG 4.03Å; P365-R395 WeakPolarHBondContact O-CG 3.41Å; R395-G397 PolarHBondContact O-N 2.84Å; R395-L398 HydrophobicContact CB-CB 3.97Å; R395-L398 HydrophobicContact CB-CD1 4.16Å; R395-L398 HydrophobicContact CB-CG 4.5Å; R395-L398 PolarHBondContact O-N 3.49Å; R395-D399 HydrophobicContact CB-CB 4.48Å; R395-D399 WeakPolarHBondContact CB-OD2 3.42Å; R395-D399 VanDerWaalsContact CG-OD2 3.26Å; R395-D399 WeakPolarHBondContact CG-OD2 3.49Å; R395-D399 IonicContact CZ-OD1 3.97Å; R395-D399 IonicContact CZ-OD2 2.98Å; R395-D399 PolarHBondContact N-OD2 3Å; R395-D399 IonicContact NE-OD1 3.75Å; R395-D399 PolarHBondContact NE-OD1 3.09Å; R395-D399 IonicContact NE-OD2 3.32Å; R395-D399 PolarHBondContact NE-OD2 3.35Å; R395-D399 IonicContact NH2-OD1 3.3Å; R395-D399 PolarHBondContact NH2-OD1 3.42Å; R395-D399 IonicContact NH2-OD2 3.24Å; R395-D399 PolarHBondContact O-N 3.16Å
396A83.2Confident89.2Confident65 Ų6531 Ų3154%0.53720%0.204SC..THydrogen-bonded Turntrans-56.7130.1178.600000111.6P150 V151 L398P150-A396 HydrophobicContact CB-CB 4.05Å; P150-A396 HydrophobicContact CG-CB 3.97Å; V151-A396 HydrophobicContact CG2-CB 4.24Å; A396-L398 PolarHBondContact O-N 3.32Å
397G83.5Confident89.4Confident87 Ų8731.2 Ų31.290%0.89721%0.205SC*.THydrogen-bonded Turntrans78.6-6.3-178.100000115.6R395R395-G397 PolarHBondContact O-N 2.84Å
398L81.2Confident89.8Confident118 Ų11828.5 Ų28.562%0.61819%0.192SC*.THydrogen-bonded Turntrans-118-43.9177.5-63176.4000112.4R395 A396R395-L398 HydrophobicContact CB-CB 3.97Å; R395-L398 HydrophobicContact CB-CD1 4.16Å; R395-L398 HydrophobicContact CB-CG 4.5Å; R395-L398 PolarHBondContact O-N 3.49Å; A396-L398 PolarHBondContact O-N 3.32Å
399D84.2Confident90.1Very high11 Ų1129.4 Ų29.46%0.05920%0.196CC..  trans-107.9137.7-176.7-61.9-40.6000110.7R367 R395R367-D399 WeakPolarHBondContact CA-OD2 3.43Å; R395-D399 HydrophobicContact CB-CB 4.48Å; R395-D399 WeakPolarHBondContact CB-OD2 3.42Å; R395-D399 VanDerWaalsContact CG-OD2 3.26Å; R395-D399 WeakPolarHBondContact CG-OD2 3.49Å; R395-D399 IonicContact CZ-OD1 3.97Å; R395-D399 IonicContact CZ-OD2 2.98Å; R395-D399 PolarHBondContact N-OD2 3Å; R395-D399 IonicContact NE-OD1 3.75Å; R395-D399 PolarHBondContact NE-OD1 3.09Å; R395-D399 IonicContact NE-OD2 3.32Å; R395-D399 PolarHBondContact NE-OD2 3.35Å; R395-D399 IonicContact NH2-OD1 3.3Å; R395-D399 PolarHBondContact NH2-OD1 3.42Å; R395-D399 IonicContact NH2-OD2 3.24Å; R395-D399 PolarHBondContact O-N 3.16Å
400S83.5Confident89.8Confident93 Ų9333.2 Ų33.265%0.6522%0.222SC*.SBendtrans-71.9-32.1172.952.10000113.9R367R367-S400 PolarHBondContact NH1-OG 2.83Å
401V86.1Confident89.7Confident19 Ų1939 Ų3912%0.11525%0.252CS..EExtended strand (participates in β ladder)trans-144.5150.1-179.1-640000109.8K152 R367K152-V401 HydrophobicContact CB-CG1 4.41Å; K152-V401 WeakPolarHBondContact O-CA 3.5Å; R367-V401 WeakPolarHBondContact CD-O 3.48Å; R367-V401 PolarHBondContact NE-O 2.73Å; R367-V401 PolarHBondContact NH1-O 3.03Å
402G91.4Very high89.8Confident0 Ų037.7 Ų37.70%024%0.236CC..EExtended strand (participates in β ladder)trans-107.9137.5169.100000109.8K152 L153 I154 G394K152-G402 PolarHBondContact O-N 2.82Å; L153-G402 CarbonylContact C-O 3.5Å; L153-G402 WeakPolarHBondContact CA-O 3.43Å; I154-G402 PolarHBondContact N-O 3.08Å; G394-G402 VanDerWaalsContact CA-CA 3.45Å; G394-G402 VanDerWaalsContact N-CA 3.3Å
403E93.9Very high89.7Confident1 Ų140.4 Ų40.41%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-118.6133.8179.5-63.8170.3170.900109.9I154 Y156 S219 M220 R367 R368 V369 A393I154-E403 CarbonylContact O-C 3.6Å; I154-E403 WeakPolarHBondContact O-CA 3.3Å; Y156-E403 HydrophobicContact CE2-CB 4.12Å; Y156-E403 HydrophobicContact CE2-CG 4.04Å; S219-E403 PolarHBondContact OG-OE1 3.12Å; M220-E403 PolarHBondContact N-OE1 3.41Å; R367-E403 PolarHBondContact O-N 2.86Å; R367-E403 VanDerWaalsContact O-N 3.17Å; R368-E403 CarbonylContact C-O 3.56Å; R368-E403 VanDerWaalsContact CA-O 3.26Å; R368-E403 WeakPolarHBondContact CA-O 3.43Å; R368-E403 HydrophobicContact CG-CB 4.15Å; R368-E403 WeakPolarHBondContact CG-O 3.37Å; R368-E403 IonicContact CZ-OE2 3.15Å; R368-E403 VanDerWaalsContact CZ-OE2 3.24Å; R368-E403 IonicContact NE-OE2 2.89Å; R368-E403 PolarHBondContact NE-OE2 3.26Å; R368-E403 IonicContact NH2-OE2 3.27Å; R368-E403 PolarHBondContact NH2-OE2 3.08Å; V369-E403 PolarHBondContact N-O 3.05Å; A393-E403 WeakPolarHBondContact CB-O 3.45Å
404S95.4Very high89.4Confident0 Ų047.2 Ų47.20%028%0.278CS..EExtended strand (participates in β ladder)trans-113.5139.4169.175.30000110.3I154 E155 Y156 V369I154-S404 PolarHBondContact O-N 3.46Å; E155-S404 WeakPolarHBondContact CA-OG 3.34Å; E155-S404 WeakPolarHBondContact CB-OG 3.2Å; E155-S404 WeakPolarHBondContact CG-OG 3.47Å; Y156-S404 WeakPolarHBondContact CB-O 3.47Å; Y156-S404 WeakPolarHBondContact CD2-O 3.39Å; Y156-S404 PolarHBondContact N-O 3.21Å; V369-S404 CarbonylContact O-C 3.59Å; V369-S404 VanDerWaalsContact O-CA 3.25Å; V369-S404 WeakPolarHBondContact O-CA 3.41Å
405I96.1Very high89.3Confident2 Ų249.4 Ų49.41%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-128.8119.7176.2-54.4-175.6000108.9Y156 K158 L163 L210 V369 I370 I371Y156-I405 HydrophobicContact CD2-CG1 4.19Å; Y156-I405 CarbonylContact O-C 3.57Å; Y156-I405 WeakPolarHBondContact O-CA 3.46Å; K158-I405 HydrophobicContact CB-CG2 4.14Å; L163-I405 HydrophobicContact CD1-CD1 4.33Å; L163-I405 HydrophobicContact CD1-CG2 3.77Å; L163-I405 HydrophobicContact CD2-CD1 4.37Å; L210-I405 HydrophobicContact CD1-CD1 4.37Å; L210-I405 HydrophobicContact CD1-CG2 4.02Å; L210-I405 HydrophobicContact CD2-CD1 3.84Å; V369-I405 PolarHBondContact O-N 3.41Å; I370-I405 CarbonylContact C-O 3.52Å; I370-I405 VanDerWaalsContact CA-O 3.3Å; I370-I405 WeakPolarHBondContact CA-O 3.14Å; I370-I405 HydrophobicContact CG1-CB 4.49Å; I371-I405 PolarHBondContact N-O 3.34Å
406T96.5Very high89.5Confident0 Ų047.7 Ų47.70%029%0.285CS..EExtended strand (participates in β ladder)trans-103.1119.5173-53.30000109.8Y156 V157 K158 I371 Y386 L408 F416Y156-T406 PolarHBondContact O-N 3.07Å; V157-T406 CarbonylContact C-O 3.44Å; V157-T406 WeakPolarHBondContact CA-O 3.13Å; K158-T406 PolarHBondContact N-O 2.98Å; I371-T406 HydrophobicContact CB-CG2 4.15Å; I371-T406 HydrophobicContact CG2-CG2 4.17Å; Y386-T406 WeakPolarHBondContact CE2-OG1 3.48Å; T406-L408 HydrophobicContact CG2-CD2 3.84Å; T406-L408 HydrophobicContact CG2-CG 4.32Å; T406-F416 HydrophobicContact CG2-CD2 4.35Å; T406-F416 HydrophobicContact CG2-CE2 3.75Å; T406-F416 HydrophobicContact CG2-CZ 4.03Å
407I95.9Very high89.6Confident4 Ų445.6 Ų45.62%0.02127%0.268CS..EExtended strand (participates in β ladder)trans-85.4122.5176.9-52.7179.9000108.1K158 D205 L207 L210 I370 I371K158-I407 HydrophobicContact CB-CG1 4.31Å; K158-I407 HydrophobicContact CD-CG1 4.27Å; K158-I407 HydrophobicContact CD-CG2 4.42Å; D205-I407 HydrophobicContact CB-CD1 4.17Å; D205-I407 HydrophobicContact CB-CG2 4.36Å; L207-I407 HydrophobicContact CD1-CD1 4.32Å; L210-I407 HydrophobicContact CD1-CD1 4.08Å; L210-I407 HydrophobicContact CD1-CG1 4.37Å; I370-I407 HydrophobicContact CG2-CD1 4.12Å; I370-I407 HydrophobicContact CG2-CG1 4.33Å; I371-I407 PolarHBondContact O-N 3.17Å
408L94.1Very high89.6Confident2 Ų246.5 Ų46.51%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-119.3138.4-179.9-61.8-177.7000111.6V157 K158 V159 P374 T406 E412 F416V157-L408 HydrophobicContact CG1-CB 4.27Å; V157-L408 HydrophobicContact CG1-CD1 3.32Å; V157-L408 HydrophobicContact CG1-CG 3.71Å; K158-L408 PolarHBondContact O-N 3.08Å; V159-L408 HydrophobicContact CG2-CB 4.46Å; P374-L408 HydrophobicContact CB-CD2 4.14Å; P374-L408 HydrophobicContact CG-CD2 3.7Å; T406-L408 HydrophobicContact CG2-CD2 3.84Å; T406-L408 HydrophobicContact CG2-CG 4.32Å; L408-E412 HydrophobicContact CD2-CB 4.32Å; L408-F416 HydrophobicContact CD1-CB 3.71Å; L408-F416 HydrophobicContact CD1-CD1 3.5Å; L408-F416 VanDerWaalsContact CD1-CD1 3.5Å; L408-F416 HydrophobicContact CD1-CD2 4.41Å; L408-F416 HydrophobicContact CD1-CE1 4.18Å; L408-F416 HydrophobicContact CD1-CG 3.61Å; L408-F416 HydrophobicContact CD2-CB 4.03Å; L408-F416 HydrophobicContact CD2-CD2 3.97Å; L408-F416 HydrophobicContact CD2-CG 3.91Å; L408-F416 HydrophobicContact CG-CG 4.37Å
409Q92.4Very high89.8Confident72 Ų7241.2 Ų41.234%0.33622%0.221SC..  trans-81.8156.2164-60.6-60.1-3500110.7D205 N411 E412D205-Q409 PolarHBondContact OD1-NE2 3.36Å; Q409-N411 WeakPolarHBondContact CB-OD1 3.49Å; Q409-N411 PolarHBondContact O-N 2.91Å; Q409-N411 VanDerWaalsContact O-N 3.14Å; Q409-E412 HydrophobicContact CB-CG 4.23Å; Q409-E412 PolarHBondContact N-OE2 3.21Å; Q409-E412 PolarHBondContact O-N 3.5Å
410P87.1Confident89.7Confident86 Ų8641.3 Ų41.356%0.55822%0.222SC*.G310 helixtrans-54.8-34.5-177.1-27.835.6000114.7E412P410-E412 VanDerWaalsContact C-N 3.33Å
411N89.9Confident89.4Confident124 Ų12438.7 Ų38.766%0.66320%0.203SC*.G310 helixtrans-75.4-15.8177.762.1-28.8000114.2Q409Q409-N411 WeakPolarHBondContact CB-OD1 3.49Å; Q409-N411 PolarHBondContact O-N 2.91Å; Q409-N411 VanDerWaalsContact O-N 3.14Å
412E92.3Very high88.5Confident12 Ų1241 Ų416%0.05622%0.215CC..G310 helixtrans-91.8-11.8-177.5-66.2162.5175.800112.5P374 Y375 F380 L408 Q409 P410 Q414 S415 F416P374-E412 HydrophobicContact CG-CB 4.39Å; P374-E412 HydrophobicContact CG-CG 4.44Å; Y375-E412 HydrophobicContact CE2-CG 4.15Å; Y375-E412 VanDerWaalsContact CE2-OE1 3.29Å; Y375-E412 WeakPolarHBondContact CE2-OE1 3.38Å; F380-E412 HydrophobicContact CE2-CB 4.49Å; L408-E412 HydrophobicContact CD2-CB 4.32Å; Q409-E412 HydrophobicContact CB-CG 4.23Å; Q409-E412 PolarHBondContact N-OE2 3.21Å; Q409-E412 PolarHBondContact O-N 3.5Å; P410-E412 VanDerWaalsContact C-N 3.33Å; E412-Q414 PolarHBondContact O-N 2.97Å; E412-S415 PolarHBondContact O-N 2.99Å; E412-F416 WeakPolarHBondContact O-CB 3.48Å; E412-F416 PolarHBondContact O-N 3.25Å
413R87.5Confident87.5Confident108 Ų10842.6 Ų42.641%0.40822%0.223SC..Hα-helixtrans-57.6-45.8-174.3-65.9-177.4-169.6167.36.2112.8V159 F181 F416 A417V159-R413 VanDerWaalsContact CG1-CZ 3.43Å; V159-R413 VanDerWaalsContact CG1-NE 3.27Å; F181-R413 HydrophobicContact CE1-CB 4.35Å; R413-F416 PolarHBondContact O-N 2.75Å; R413-A417 WeakPolarHBondContact O-CB 3.44Å; R413-A417 PolarHBondContact O-N 3.36Å
414Q86.7Confident85.8Confident142 Ų14244.9 Ų44.966%0.66424%0.239SC*.Hα-helixtrans-66.8-45.8-178.1-172.31756.400111.3E412 F416 A417 H418E412-Q414 PolarHBondContact O-N 2.97Å; Q414-F416 VanDerWaalsContact C-N 3.28Å; Q414-F416 PolarHBondContact O-N 3.31Å; Q414-A417 WeakPolarHBondContact O-CB 3.5Å; Q414-A417 PolarHBondContact O-N 3.4Å; Q414-H418 PolarHBondContact O-CD2 2.95Å; Q414-H418 PolarHBondContact O-N 3.46Å
415S88.2Confident83.7Confident55 Ų5546.6 Ų46.639%0.38525%0.248SC..Hα-helixtrans-60.5-39.5175.8-54.20000112E412 H418 L419E412-S415 PolarHBondContact O-N 2.99Å; S415-H418 PolarHBondContact O-N 2.8Å; S415-L419 PolarHBondContact O-N 3.36Å; S415-L419 VanDerWaalsContact O-N 3.08Å
416F90.1Very high81.4Confident0 Ų050.1 Ų50.10%027%0.271CS..Hα-helixtrans-69.5-36.7176-167.7-104.2000112.7V157 I166 F181 P374 F380 Y386 T406 L408 E412 R413 Q414 H418 L419 L420V157-F416 HydrophobicContact CG2-CD1 4.34Å; V157-F416 HydrophobicContact CG2-CE1 3.6Å; V157-F416 HydrophobicContact CG2-CZ 4.36Å; I166-F416 HydrophobicContact CD1-CE1 4.23Å; I166-F416 HydrophobicContact CD1-CZ 4.47Å; F181-F416 AromaticContact CE2-CD1 3.97Å; F181-F416 HydrophobicContact CE2-CD1 3.97Å; F181-F416 AromaticContact CZ-CD1 3.88Å; F181-F416 HydrophobicContact CZ-CD1 3.88Å; P374-F416 HydrophobicContact CB-CD2 4.5Å; F380-F416 HydrophobicContact CZ-CB 4.01Å; F380-F416 HydrophobicContact CZ-CD2 4.3Å; Y386-F416 HydrophobicContact CD2-CE2 4.08Å; Y386-F416 AromaticContact CE2-CE2 3.67Å; Y386-F416 HydrophobicContact CE2-CE2 3.67Å; Y386-F416 AromaticContact CE2-CZ 3.72Å; Y386-F416 HydrophobicContact CE2-CZ 3.72Å; Y386-F416 AromaticContact CZ-CZ 3.89Å; T406-F416 HydrophobicContact CG2-CD2 4.35Å; T406-F416 HydrophobicContact CG2-CE2 3.75Å; T406-F416 HydrophobicContact CG2-CZ 4.03Å; L408-F416 HydrophobicContact CD1-CB 3.71Å; L408-F416 HydrophobicContact CD1-CD1 3.5Å; L408-F416 VanDerWaalsContact CD1-CD1 3.5Å; L408-F416 HydrophobicContact CD1-CD2 4.41Å; L408-F416 HydrophobicContact CD1-CE1 4.18Å; L408-F416 HydrophobicContact CD1-CG 3.61Å; L408-F416 HydrophobicContact CD2-CB 4.03Å; L408-F416 HydrophobicContact CD2-CD2 3.97Å; L408-F416 HydrophobicContact CD2-CG 3.91Å; L408-F416 HydrophobicContact CG-CG 4.37Å; E412-F416 WeakPolarHBondContact O-CB 3.48Å; E412-F416 PolarHBondContact O-N 3.25Å; R413-F416 PolarHBondContact O-N 2.75Å; Q414-F416 VanDerWaalsContact C-N 3.28Å; Q414-F416 PolarHBondContact O-N 3.31Å; F416-H418 VanDerWaalsContact C-N 3.32Å; F416-H418 PolarHBondContact O-N 2.96Å; F416-L419 WeakPolarHBondContact O-CB 3.44Å; F416-L419 PolarHBondContact O-N 3.05Å; F416-L420 HydrophobicContact CD1-CD1 4.08Å; F416-L420 HydrophobicContact CD1-CG 4.11Å; F416-L420 HydrophobicContact CE1-CD1 3.62Å; F416-L420 HydrophobicContact CE1-CD2 4.11Å; F416-L420 HydrophobicContact CE1-CG 3.76Å; F416-L420 HydrophobicContact CZ-CD1 4.36Å; F416-L420 HydrophobicContact CZ-CD2 4.02Å; F416-L420 HydrophobicContact CZ-CG 4.14Å; F416-L420 PolarHBondContact O-N 3.28Å
417A85.3Confident78.9Confident22 Ų2257.2 Ų57.218%0.18231%0.31CS..Hα-helixtrans-59.4-44.3173.100000111.8F181 R413 Q414 L420 S421F181-A417 HydrophobicContact CB-CB 3.59Å; F181-A417 HydrophobicContact CD1-CB 4.5Å; F181-A417 VanDerWaalsContact CD2-CA 3.47Å; F181-A417 HydrophobicContact CD2-CB 3.21Å; F181-A417 HydrophobicContact CE2-CB 3.95Å; F181-A417 HydrophobicContact CG-CB 3.53Å; R413-A417 WeakPolarHBondContact O-CB 3.44Å; R413-A417 PolarHBondContact O-N 3.36Å; Q414-A417 WeakPolarHBondContact O-CB 3.5Å; Q414-A417 PolarHBondContact O-N 3.4Å; A417-L420 PolarHBondContact O-N 2.89Å; A417-S421 WeakPolarHBondContact O-CB 3.34Å; A417-S421 PolarHBondContact O-N 2.9Å
418H83.7Confident76.6Confident106 Ų10659.8 Ų59.849%0.49132%0.323SS..Hα-helixtrans-60.4-46.3174.6-72.5-61.8000111.3Q414 S415 F416 L420 S421 D422Q414-H418 PolarHBondContact O-CD2 2.95Å; Q414-H418 PolarHBondContact O-N 3.46Å; S415-H418 PolarHBondContact O-N 2.8Å; F416-H418 VanDerWaalsContact C-N 3.32Å; F416-H418 PolarHBondContact O-N 2.96Å; H418-L420 PolarHBondContact O-N 3.07Å; H418-S421 WeakPolarHBondContact CA-OG 3.42Å; H418-S421 WeakPolarHBondContact O-CB 3.48Å; H418-S421 PolarHBondContact O-N 3.45Å; H418-S421 PolarHBondContact O-OG 2.91Å; H418-D422 PolarHBondContact O-N 3.47Å; H418-D422 VanDerWaalsContact O-N 3.1Å
419L85Confident74Confident7 Ų766.5 Ų66.54%0.03736%0.364CS..Hα-helixtrans-55.9-47.9175.4-176.7162.9000112.2F380 L381 Y386 S415 F416 S421 D422 I423F380-L419 HydrophobicContact CD1-CD1 4.17Å; F380-L419 HydrophobicContact CE1-CB 4.19Å; F380-L419 HydrophobicContact CE1-CD1 3.74Å; L381-L419 HydrophobicContact CB-CD1 3.84Å; L381-L419 WeakPolarHBondContact O-CD1 3.34Å; Y386-L419 HydrophobicContact CD1-CD2 3.94Å; Y386-L419 HydrophobicContact CD2-CD2 4.37Å; Y386-L419 HydrophobicContact CG-CD2 3.8Å; S415-L419 PolarHBondContact O-N 3.36Å; S415-L419 VanDerWaalsContact O-N 3.08Å; F416-L419 WeakPolarHBondContact O-CB 3.44Å; F416-L419 PolarHBondContact O-N 3.05Å; L419-S421 VanDerWaalsContact C-N 3.25Å; L419-S421 PolarHBondContact O-N 3.34Å; L419-D422 PolarHBondContact O-N 2.97Å; L419-I423 HydrophobicContact CD2-CD1 3.85Å; L419-I423 PolarHBondContact O-N 3.31Å
420L83Confident71.5Confident12 Ų1270.7 Ų70.76%0.06338%0.381CS..Hα-helixtrans-68.1-24.1177.4-69.3-169.7000113.3I166 F181 R184 Y386 F416 A417 H418 D422 I423I166-L420 HydrophobicContact CD1-CD1 3.87Å; I166-L420 HydrophobicContact CD1-CD2 4.38Å; I166-L420 HydrophobicContact CG1-CD1 4.25Å; I166-L420 HydrophobicContact CG2-CD1 3.96Å; F181-L420 HydrophobicContact CE2-CD1 4.03Å; R184-L420 PolarHBondContact NH1-O 2.6Å; Y386-L420 HydrophobicContact CE1-CD2 4Å; F416-L420 HydrophobicContact CD1-CD1 4.08Å; F416-L420 HydrophobicContact CD1-CG 4.11Å; F416-L420 HydrophobicContact CE1-CD1 3.62Å; F416-L420 HydrophobicContact CE1-CD2 4.11Å; F416-L420 HydrophobicContact CE1-CG 3.76Å; F416-L420 HydrophobicContact CZ-CD1 4.36Å; F416-L420 HydrophobicContact CZ-CD2 4.02Å; F416-L420 HydrophobicContact CZ-CG 4.14Å; F416-L420 PolarHBondContact O-N 3.28Å; A417-L420 PolarHBondContact O-N 2.89Å; H418-L420 PolarHBondContact O-N 3.07Å; L420-D422 VanDerWaalsContact C-N 3.33Å; L420-I423 HydrophobicContact CD2-CD1 4.03Å
421S76Confident69.2Low38 Ų3871.2 Ų71.227%0.26639%0.385SS..Hα-helixtrans-75.8-25.4175.678.20000112.6A417 H418 L419 R432A417-S421 WeakPolarHBondContact O-CB 3.34Å; A417-S421 PolarHBondContact O-N 2.9Å; H418-S421 WeakPolarHBondContact CA-OG 3.42Å; H418-S421 WeakPolarHBondContact O-CB 3.48Å; H418-S421 PolarHBondContact O-N 3.45Å; H418-S421 PolarHBondContact O-OG 2.91Å; L419-S421 VanDerWaalsContact C-N 3.25Å; L419-S421 PolarHBondContact O-N 3.34Å; S421-R432 PolarHBondContact O-NH1 2.8Å
422D68.8Low67Low68 Ų6870.5 Ų70.536%0.36437%0.373SS..Hα-helixtrans-79.3-26.3176.3-66.7-20.7000112.3H418 L419 L420 S424 A436H418-D422 PolarHBondContact O-N 3.47Å; H418-D422 VanDerWaalsContact O-N 3.1Å; L419-D422 PolarHBondContact O-N 2.97Å; L420-D422 VanDerWaalsContact C-N 3.33Å; D422-S424 PolarHBondContact O-N 3.38Å; D422-A436 WeakPolarHBondContact OD2-CB 3.41Å
423I69.3Low64.3Low34 Ų3477.2 Ų77.217%0.17441%0.409CS..SBendtrans-68.4116.7170.1-64.8168.3000107.8S383 Y386 Q387 L419 L420S383-I423 WeakPolarHBondContact OG-CG1 3.43Å; Y386-I423 HydrophobicContact CD1-CD1 3.57Å; Y386-I423 HydrophobicContact CE1-CD1 3.93Å; Q387-I423 HydrophobicContact CG-CD1 4.14Å; Q387-I423 HydrophobicContact CG-CG1 4.31Å; Q387-I423 VanDerWaalsContact NE2-CG2 3.31Å; L419-I423 HydrophobicContact CD2-CD1 3.85Å; L419-I423 PolarHBondContact O-N 3.31Å; L420-I423 HydrophobicContact CD2-CD1 4.03Å
424S57.6Low62.2Low48 Ų4873.9 Ų73.934%0.33641%0.409SS..PPolyproline II helixtrans-58.4142.6176.8-60.50000110.4D422D422-S424 PolarHBondContact O-N 3.38Å
425D52.3Low60.3Low36 Ų3672.9 Ų72.919%0.19341%0.412CS..PPolyproline II helixtrans-60.5134.9162.4-113.4-42.5000107.3D427 D428D425-D427 PolarHBondContact O-N 3.26Å; D425-D428 HydrophobicContact CB-CB 3.83Å; D425-D428 PolarHBondContact O-N 2.89Å
426P47.3Very low58.4Low76 Ų7672.7 Ų72.749%0.49441%0.414SS..THydrogen-bonded Turntrans-57.7-18.3179.518.5-28.9000113.9N147N147-P426 PolarHBondContact ND2-O 3.08Å
427D44.2Very low56.9Low150 Ų15074.6 Ų74.680%0.80243%0.434SS*.THydrogen-bonded Turntrans-100.6-5.9177.1-77.1-21000114.7D425 T429D425-D427 PolarHBondContact O-N 3.26Å; D427-T429 PolarHBondContact O-N 3.25Å
428D47.4Very low56.3Low58 Ų5876.8 Ų76.831%0.3144%0.438SS..  trans-92.595.9-175.5-155.1-5.3000110.7D425 K430D425-D428 HydrophobicContact CB-CB 3.83Å; D425-D428 PolarHBondContact O-N 2.89Å; D428-K430 PolarHBondContact O-N 3.39Å
429T40.8Very low56.4Low142 Ų14271.9 Ų71.987%0.87142%0.415SS*.  trans-76.58.6177.155.10000113.7D427D427-T429 PolarHBondContact O-N 3.25Å
430K38.4Very low56.6Low160 Ų16074 Ų7470%0.69643%0.43SS*.SBendtrans-97.7123.9-179.8-71.1-175.8179.7177.90111.9D428 R432D428-K430 PolarHBondContact O-N 3.39Å; K430-R432 PolarHBondContact O-N 3.35Å
431P38.4Very low57.2Low97 Ų9774 Ų7463%0.6343%0.431SS*.PPolyproline II helixtrans-65.5127.5175.924.8-31.3000110.8
432R43.9Very low58.1Low109 Ų10972.4 Ų72.441%0.41142%0.42SS..PPolyproline II helixtrans-83144.1175.6-76.2-179.4160.4-169.9-12.7111.3S421 K430 G434S421-R432 PolarHBondContact O-NH1 2.8Å; K430-R432 PolarHBondContact O-N 3.35Å; R432-G434 PolarHBondContact O-N 2.96Å; R432-G434 VanDerWaalsContact O-N 3.11Å
433N36.5Very low59.4Low154 Ų15469.1 Ų69.182%0.82440%0.403SS*.SBendtrans-74.69.2-178.2-81.5-13.9000115.3R438N433-R438 PolarHBondContact O-NH2 3.42Å
434G42.7Very low60.6Low38 Ų3870.5 Ų70.539%0.39241%0.41SS..  trans-70.8142.1171.800000111.8R432 R438R432-G434 PolarHBondContact O-N 2.96Å; R432-G434 VanDerWaalsContact O-N 3.11Å; G434-R438 PolarHBondContact O-NE 2.92Å; G434-R438 PolarHBondContact O-NH2 2.94Å
435T46.4Very low62.3Low120 Ų12069.5 Ų69.574%0.73640%0.399SS*.SBendtrans-80.4-21.5172.950.80000112.6G437 R438T435-G437 PolarHBondContact O-N 2.69Å; T435-R438 PolarHBondContact O-N 2.92Å
436A48.7Very low64Low51 Ų5173.4 Ų73.442%0.42142%0.416SS..THydrogen-bonded Turntrans-67.8125.6179.500000111D422D422-A436 WeakPolarHBondContact OD2-CB 3.41Å
437G59.3Low66.1Low41 Ų4176.9 Ų76.942%0.42343%0.43SS..THydrogen-bonded Turntrans83.33.2179.400000116.1P130 T435P130-G437 VanDerWaalsContact CD-O 3.3Å; P130-G437 WeakPolarHBondContact CD-O 3.33Å; P130-G437 VanDerWaalsContact CG-O 3.3Å; P130-G437 WeakPolarHBondContact CG-O 3.47Å; T435-G437 PolarHBondContact O-N 2.69Å
438R73.4Confident68.4Low68 Ų6869.9 Ų69.926%0.25739%0.394SS..  trans-68.4133.3170.6-67.4-174-176.6-176.7-4.6110.4N131 N433 G434 T435 S440N131-R438 WeakPolarHBondContact OD1-CA 3.41Å; N433-R438 PolarHBondContact O-NH2 3.42Å; G434-R438 PolarHBondContact O-NE 2.92Å; G434-R438 PolarHBondContact O-NH2 2.94Å; T435-R438 PolarHBondContact O-N 2.92Å; R438-S440 PolarHBondContact O-N 3.02Å
439C84.6Confident70.7Confident3 Ų367.5 Ų67.52%0.0238%0.381CS..  trans-73.389.8168.1-176.60000109.1G97 L129 N131 L135 Q482G97-C439 VanDerWaalsContact CA-SG 3.6Å; G97-C439 PolarHBondContact N-SG 3Å; G97-C439 VanDerWaalsContact N-SG 3.44Å; L129-C439 HydrophobicContact CD1-CB 3.92Å; L129-C439 HydrophobicContact CD2-CB 4.34Å; N131-C439 PolarHBondContact ND2-O 3.25Å; N131-C439 PolarHBondContact OD1-N 2.73Å; L135-C439 HydrophobicContact CD1-CB 4.33Å; C439-Q482 PolarHBondContact O-NE2 3.27Å
440S89.5Confident73.3Confident50 Ų5060.8 Ų60.835%0.3534%0.339SS..  trans-86.8149.9173.7530000111.6G97 R438 S442G97-S440 WeakPolarHBondContact CA-O 3.4Å; R438-S440 PolarHBondContact O-N 3.02Å; S440-S442 PolarHBondContact O-N 3.02Å
441S94.7Very high76.1Confident13 Ų1353.1 Ų53.19%0.09131%0.306CS..  trans-52.4135.3170.2173.40000111.6E107 L443 L479E107-S441 PolarHBondContact OE1-OG 3.21Å; E107-S441 WeakPolarHBondContact OE2-CA 3.35Å; E107-S441 WeakPolarHBondContact OE2-CB 3.39Å; E107-S441 PolarHBondContact OE2-OG 3.42Å; S441-L443 PolarHBondContact OG-N 3.22Å; S441-L443 VanDerWaalsContact OG-N 3.12Å; S441-L479 WeakPolarHBondContact OG-CB 2.97Å
442S94.9Very high78.9Confident4 Ų449.3 Ų49.33%0.02828%0.279CS..SBendtrans-87-6.6175.4-74.50000112.7I96 G99 E107 S440 L444 Y445I96-S442 WeakPolarHBondContact O-CB 3.29Å; I96-S442 PolarHBondContact O-OG 3.46Å; G99-S442 WeakPolarHBondContact CA-OG 3.37Å; G99-S442 PolarHBondContact N-OG 3.24Å; E107-S442 PolarHBondContact OE2-N 3.45Å; S440-S442 PolarHBondContact O-N 3.02Å; S442-L444 PolarHBondContact O-N 3.38Å; S442-L444 VanDerWaalsContact O-N 3.09Å; S442-Y445 WeakPolarHBondContact O-CD1 3.35Å; S442-Y445 PolarHBondContact O-N 3.49Å; S442-Y445 VanDerWaalsContact O-N 3.13Å
443L96.8Very high81.4Confident0 Ų045 Ų450%026%0.263CS..THydrogen-bonded Turntrans-62.9-20-173.6-68.2179.2000114.2A104 E107 M108 S441 G450 L451 F454 T477 L479A104-L443 HydrophobicContact CB-CD2 4.12Å; E107-L443 HydrophobicContact CG-CD1 4.16Å; E107-L443 HydrophobicContact CG-CG 4.22Å; E107-L443 WeakPolarHBondContact OE1-CD1 3.41Å; M108-L443 HydrophobicContact CG-CD2 3.91Å; S441-L443 PolarHBondContact OG-N 3.22Å; S441-L443 VanDerWaalsContact OG-N 3.12Å; L443-G450 CarbonylContact O-C 3.58Å; L443-G450 VanDerWaalsContact O-CA 3.23Å; L443-G450 WeakPolarHBondContact O-CA 3.2Å; L443-G450 PolarHBondContact O-N 3.43Å; L443-G450 VanDerWaalsContact O-N 3.09Å; L443-L451 HydrophobicContact CB-CB 4.34Å; L443-L451 PolarHBondContact O-N 3.24Å; L443-F454 HydrophobicContact CD2-CB 4.41Å; L443-T477 HydrophobicContact CD1-CG2 3.82Å; L443-L479 HydrophobicContact CB-CB 4.47Å; L443-L479 HydrophobicContact CB-CD2 4.06Å; L443-L479 HydrophobicContact CD1-CB 4.05Å; L443-L479 HydrophobicContact CD1-CD2 4.47Å
444L94.1Very high84.3Confident62 Ų6237.6 Ų37.633%0.32522%0.224SC..THydrogen-bonded Turntrans-86.94.2178.3-67.7-176.6000115S442 G448 L479 Y483 L494S442-L444 PolarHBondContact O-N 3.38Å; S442-L444 VanDerWaalsContact O-N 3.09Å; L444-G448 PolarHBondContact O-N 3.04Å; L444-L479 HydrophobicContact CD1-CD1 3.73Å; L444-L479 HydrophobicContact CD2-CD1 4.44Å; L444-L479 HydrophobicContact CD2-CD2 4.02Å; L444-L479 HydrophobicContact CG-CD1 3.71Å; L444-L479 HydrophobicContact CG-CD2 4.1Å; L444-Y483 HydrophobicContact CD1-CE2 4.25Å; L444-L494 HydrophobicContact CD2-CD1 4.2Å; L444-L494 HydrophobicContact CD2-CD2 4.08Å
445Y93.4Very high87Confident28 Ų2835.8 Ų35.811%0.1121%0.206CC..Hα-helixtrans-57.8148.5178.984.4-83.7000112.3P101 A104 S442 N447 G448 K449 G450P101-Y445 HydrophobicContact CB-CE2 4.28Å; A104-Y445 HydrophobicContact CB-CD1 3.83Å; A104-Y445 HydrophobicContact CB-CE1 3.51Å; S442-Y445 WeakPolarHBondContact O-CD1 3.35Å; S442-Y445 PolarHBondContact O-N 3.49Å; S442-Y445 VanDerWaalsContact O-N 3.13Å; Y445-N447 VanDerWaalsContact C-N 3.34Å; Y445-N447 PolarHBondContact O-N 3.05Å; Y445-G448 PolarHBondContact O-N 3.45Å; Y445-K449 HydrophobicContact CD2-CB 4.43Å; Y445-K449 HydrophobicContact CD2-CD 4.28Å; Y445-K449 HydrophobicContact CE1-CB 4.29Å; Y445-K449 HydrophobicContact CE2-CB 4.06Å; Y445-K449 HydrophobicContact CE2-CD 3.38Å; Y445-K449 HydrophobicContact CE2-CG 4.18Å; Y445-K449 VanDerWaalsContact O-CB 3.28Å; Y445-K449 WeakPolarHBondContact O-CB 3.3Å; Y445-K449 PolarHBondContact O-N 2.88Å; Y445-G450 VanDerWaalsContact CE1-N 3.3Å
446E89.4Confident89.4Confident118 Ų11830.1 Ų30.155%0.55117%0.171SC*.Hα-helixtrans46.652178.5-71-178.6175.500113.4K449E446-K449 HydrophobicContact CB-CB 4.18Å; E446-K449 HydrophobicContact CB-CD 4.14Å; E446-K449 WeakPolarHBondContact OE2-CD 3.28Å; E446-K449 VanDerWaalsContact OE2-CE 3.31Å; E446-K449 WeakPolarHBondContact OE2-CE 3.34Å; E446-K449 IonicContact OE2-NZ 3.16Å; E446-K449 PolarHBondContact OE2-NZ 3.12Å
447N91.2Very high91.7Very high148 Ų14827.8 Ų27.879%0.79115%0.151SC*.Hα-helixtrans60.756.8-179.4-52.2-37.4000113Y445 K449 R452Y445-N447 VanDerWaalsContact C-N 3.34Å; Y445-N447 PolarHBondContact O-N 3.05Å; N447-K449 VanDerWaalsContact C-N 3.35Å; N447-K449 PolarHBondContact O-N 3.33Å; N447-R452 PolarHBondContact O-NH1 3.34Å
448G92.3Very high93.6Very high3 Ų325.9 Ų25.93%0.03113%0.131CC..Hα-helixtrans80.310.7172.100000115.5L444 Y445 G450 L451 R452L444-G448 PolarHBondContact O-N 3.04Å; Y445-G448 PolarHBondContact O-N 3.45Å; G448-G450 PolarHBondContact O-N 3.41Å; G448-L451 WeakPolarHBondContact O-CB 3.27Å; G448-L451 PolarHBondContact O-N 3.22Å; G448-L451 VanDerWaalsContact O-N 3.16Å; G448-R452 PolarHBondContact O-N 3.2Å
449K94.2Very high94.8Very high9 Ų922.8 Ų22.84%0.03912%0.12CC..Hα-helixtrans-59-42.3-174.7-165.9-171.6-133.6-163.30114Y445 E446 N447 L451 R452 Q453 D549 D551Y445-K449 HydrophobicContact CD2-CB 4.43Å; Y445-K449 HydrophobicContact CD2-CD 4.28Å; Y445-K449 HydrophobicContact CE1-CB 4.29Å; Y445-K449 HydrophobicContact CE2-CB 4.06Å; Y445-K449 HydrophobicContact CE2-CD 3.38Å; Y445-K449 HydrophobicContact CE2-CG 4.18Å; Y445-K449 VanDerWaalsContact O-CB 3.28Å; Y445-K449 WeakPolarHBondContact O-CB 3.3Å; Y445-K449 PolarHBondContact O-N 2.88Å; E446-K449 HydrophobicContact CB-CB 4.18Å; E446-K449 HydrophobicContact CB-CD 4.14Å; E446-K449 WeakPolarHBondContact OE2-CD 3.28Å; E446-K449 VanDerWaalsContact OE2-CE 3.31Å; E446-K449 WeakPolarHBondContact OE2-CE 3.34Å; E446-K449 IonicContact OE2-NZ 3.16Å; E446-K449 PolarHBondContact OE2-NZ 3.12Å; N447-K449 VanDerWaalsContact C-N 3.35Å; N447-K449 PolarHBondContact O-N 3.33Å; K449-L451 VanDerWaalsContact C-N 3.34Å; K449-L451 PolarHBondContact O-N 3.4Å; K449-R452 WeakPolarHBondContact O-CB 3.46Å; K449-R452 PolarHBondContact O-N 2.93Å; K449-Q453 PolarHBondContact O-N 3.1Å; K449-D549 WeakPolarHBondContact CD-OD2 3.23Å; K449-D549 WeakPolarHBondContact CE-OD1 3.41Å; K449-D549 WeakPolarHBondContact CE-OD2 3.33Å; K449-D549 IonicContact NZ-OD1 3.17Å; K449-D549 PolarHBondContact NZ-OD1 3.21Å; K449-D549 IonicContact NZ-OD2 3.69Å; K449-D549 PolarHBondContact NZ-OD2 3.42Å; K449-D551 VanDerWaalsContact CE-CG 3.49Å; K449-D551 WeakPolarHBondContact CE-OD2 3.03Å
450G95.7Very high95.3Very high0 Ų023.2 Ų23.20%013%0.125CC..Hα-helixtrans-63.9-40.6177.600000112.2L443 Y445 G448 Q453 F454L443-G450 CarbonylContact O-C 3.58Å; L443-G450 VanDerWaalsContact O-CA 3.23Å; L443-G450 WeakPolarHBondContact O-CA 3.2Å; L443-G450 PolarHBondContact O-N 3.43Å; L443-G450 VanDerWaalsContact O-N 3.09Å; Y445-G450 VanDerWaalsContact CE1-N 3.3Å; G448-G450 PolarHBondContact O-N 3.41Å; G450-Q453 PolarHBondContact O-N 3.29Å; G450-F454 WeakPolarHBondContact O-CB 3.45Å; G450-F454 PolarHBondContact O-N 2.78Å
451L97.4Very high95.6Very high0 Ų021.5 Ų21.50%011%0.112CC..Hα-helixtrans-64.6-44.3175.1-178.558.4000111.3L443 G448 K449 Q453 F454 I455 L479 L494 E498L443-L451 HydrophobicContact CB-CB 4.34Å; L443-L451 PolarHBondContact O-N 3.24Å; G448-L451 WeakPolarHBondContact O-CB 3.27Å; G448-L451 PolarHBondContact O-N 3.22Å; G448-L451 VanDerWaalsContact O-N 3.16Å; K449-L451 VanDerWaalsContact C-N 3.34Å; K449-L451 PolarHBondContact O-N 3.4Å; L451-Q453 VanDerWaalsContact C-N 3.29Å; L451-Q453 PolarHBondContact O-N 3.06Å; L451-F454 PolarHBondContact O-N 3.48Å; L451-I455 HydrophobicContact CD1-CD1 4.07Å; L451-I455 HydrophobicContact CD1-CG1 4.21Å; L451-I455 HydrophobicContact CG-CD1 3.92Å; L451-I455 WeakPolarHBondContact O-CG1 3.31Å; L451-I455 PolarHBondContact O-N 3.07Å; L451-L479 HydrophobicContact CD1-CD2 4.37Å; L451-L479 HydrophobicContact CD2-CD2 4.08Å; L451-L494 HydrophobicContact CD2-CD1 4.26Å; L451-L494 HydrophobicContact CD2-CD2 3.94Å; L451-L494 HydrophobicContact CD2-CG 3.75Å; L451-E498 HydrophobicContact CB-CG 4.43Å; L451-E498 HydrophobicContact CD2-CG 3.9Å; L451-E498 HydrophobicContact CG-CG 4.16Å
452R97.1Very high95.7Very high17 Ų1728.1 Ų28.16%0.06414%0.141CC..Hα-helixtrans-53.8-48171.8-71.7-165.1-68.3-80.23111.6N447 G448 K449 F454 I455 L456 E498 L502 T550 D551N447-R452 PolarHBondContact O-NH1 3.34Å; G448-R452 PolarHBondContact O-N 3.2Å; K449-R452 WeakPolarHBondContact O-CB 3.46Å; K449-R452 PolarHBondContact O-N 2.93Å; R452-F454 VanDerWaalsContact C-N 3.32Å; R452-F454 PolarHBondContact O-N 3.21Å; R452-I455 PolarHBondContact O-N 2.82Å; R452-L456 WeakPolarHBondContact O-CB 3.49Å; R452-L456 PolarHBondContact O-N 2.99Å; R452-E498 WeakPolarHBondContact CD-OE2 3.16Å; R452-E498 HydrophobicContact CG-CB 3.91Å; R452-E498 HydrophobicContact CG-CG 4.15Å; R452-E498 WeakPolarHBondContact CG-OE2 3.37Å; R452-E498 IonicContact CZ-OE2 3.33Å; R452-E498 IonicContact NE-OE2 2.77Å; R452-E498 IonicContact NH1-OE1 3.79Å; R452-E498 IonicContact NH1-OE2 3.39Å; R452-E498 PolarHBondContact NH1-OE2 3.21Å; R452-L502 HydrophobicContact CB-CD2 4.07Å; R452-L502 HydrophobicContact CB-CG 4.41Å; R452-T550 HydrophobicContact CB-CG2 4.33Å; R452-D551 IonicContact CZ-OD1 3.64Å; R452-D551 IonicContact NE-OD1 2.79Å; R452-D551 PolarHBondContact NE-OD1 2.89Å; R452-D551 IonicContact NH2-OD1 3.64Å; R452-D551 PolarHBondContact NH2-OD1 2.81Å; R452-D551 IonicContact NH2-OD2 3.64Å; R452-D551 PolarHBondContact NH2-OD2 3.24Å
453Q96.9Very high95.7Very high17 Ų1730.5 Ų30.58%0.07915%0.153CC..Hα-helixtrans-68.5-33.5-177.8-166.6150.37.500112.4M108 K449 G450 L451 S457 I548 T550M108-Q453 HydrophobicContact CE-CB 4.29Å; M108-Q453 HydrophobicContact CE-CG 3.88Å; M108-Q453 HydrophobicContact SD-CB 4.48Å; M108-Q453 HydrophobicContact SD-CG 4.47Å; K449-Q453 PolarHBondContact O-N 3.1Å; G450-Q453 PolarHBondContact O-N 3.29Å; L451-Q453 VanDerWaalsContact C-N 3.29Å; L451-Q453 PolarHBondContact O-N 3.06Å; Q453-S457 VanDerWaalsContact O-CB 3.29Å; Q453-S457 WeakPolarHBondContact O-CB 3.19Å; Q453-S457 PolarHBondContact O-N 3.47Å; Q453-I548 PolarHBondContact NE2-O 3.01Å; Q453-T550 HydrophobicContact CB-CG2 4.08Å; Q453-T550 HydrophobicContact CG-CG2 4.36Å
454F97.9Very high95.7Very high0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-63.6-51.4171.8-178.3-116.4000111.8M108 T111 K112 L115 L443 G450 L451 R452 L456 S457 L458 T477M108-F454 HydrophobicContact CB-CD2 4.13Å; M108-F454 HydrophobicContact CE-CB 4.46Å; M108-F454 HydrophobicContact CG-CB 3.94Å; M108-F454 HydrophobicContact CG-CD2 3.81Å; M108-F454 HydrophobicContact CG-CG 4.27Å; M108-F454 HydrophobicContact SD-CB 4.46Å; T111-F454 HydrophobicContact CG2-CE2 4.03Å; T111-F454 HydrophobicContact CG2-CZ 3.58Å; K112-F454 HydrophobicContact CG-CE2 4.15Å; L115-F454 HydrophobicContact CD1-CZ 4.4Å; L443-F454 HydrophobicContact CD2-CB 4.41Å; G450-F454 WeakPolarHBondContact O-CB 3.45Å; G450-F454 PolarHBondContact O-N 2.78Å; L451-F454 PolarHBondContact O-N 3.48Å; R452-F454 VanDerWaalsContact C-N 3.32Å; R452-F454 PolarHBondContact O-N 3.21Å; F454-L456 VanDerWaalsContact C-N 3.34Å; F454-L456 PolarHBondContact O-N 3.19Å; F454-S457 CarbonylContact O-C 3.38Å; F454-S457 WeakPolarHBondContact O-CA 3.45Å; F454-S457 WeakPolarHBondContact O-CB 3.46Å; F454-S457 PolarHBondContact O-N 2.89Å; F454-L458 HydrophobicContact CD1-CD1 4.04Å; F454-L458 HydrophobicContact CD1-CG 4.44Å; F454-L458 HydrophobicContact CE1-CD1 3.55Å; F454-L458 HydrophobicContact CE1-CD2 4.36Å; F454-L458 HydrophobicContact CE1-CG 4.07Å; F454-L458 HydrophobicContact CE2-CD2 4.01Å; F454-L458 HydrophobicContact CE2-CG 4.18Å; F454-L458 HydrophobicContact CZ-CD1 3.85Å; F454-L458 HydrophobicContact CZ-CD2 3.77Å; F454-L458 HydrophobicContact CZ-CG 3.93Å; F454-L458 WeakPolarHBondContact O-CG 3.45Å; F454-L458 PolarHBondContact O-N 3.32Å; F454-T477 HydrophobicContact CD1-CG2 3.87Å; F454-T477 HydrophobicContact CE1-CG2 3.4Å; F454-T477 VanDerWaalsContact CE1-CG2 3.4Å; F454-T477 HydrophobicContact CE2-CG2 4.44Å; F454-T477 HydrophobicContact CZ-CG2 3.73Å
455I98.2Very high95.8Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-58.6-46.8178.3-66.1165.5000110.6L451 R452 S457 L458 I459 I470 V495 E498 L499 L502L451-I455 HydrophobicContact CD1-CD1 4.07Å; L451-I455 HydrophobicContact CD1-CG1 4.21Å; L451-I455 HydrophobicContact CG-CD1 3.92Å; L451-I455 WeakPolarHBondContact O-CG1 3.31Å; L451-I455 PolarHBondContact O-N 3.07Å; R452-I455 PolarHBondContact O-N 2.82Å; I455-S457 VanDerWaalsContact C-N 3.27Å; I455-S457 PolarHBondContact O-N 3.45Å; I455-L458 WeakPolarHBondContact O-CB 3.39Å; I455-L458 PolarHBondContact O-N 2.98Å; I455-L458 VanDerWaalsContact O-N 3.16Å; I455-I459 HydrophobicContact CG2-CD1 3.84Å; I455-I459 WeakPolarHBondContact O-CG1 3.24Å; I455-I459 PolarHBondContact O-N 2.95Å; I455-I470 HydrophobicContact CG1-CG2 4.33Å; I455-I470 HydrophobicContact CG2-CG2 4.13Å; I455-V495 HydrophobicContact CD1-CG1 4.01Å; I455-E498 HydrophobicContact CD1-CB 3.93Å; I455-L499 HydrophobicContact CG2-CD1 3.71Å; I455-L502 HydrophobicContact CB-CD1 3.92Å; I455-L502 HydrophobicContact CG2-CD1 3.64Å
456L98.2Very high95.9Very high1 Ų128.6 Ų28.61%0.00515%0.147CC..Hα-helixtrans-59.8-39.9175.7179.461.9000111.6R452 F454 I459 G460 L502 L507 I508 A536 S543 V544 T550R452-L456 WeakPolarHBondContact O-CB 3.49Å; R452-L456 PolarHBondContact O-N 2.99Å; F454-L456 VanDerWaalsContact C-N 3.34Å; F454-L456 PolarHBondContact O-N 3.19Å; L456-I459 PolarHBondContact O-N 2.76Å; L456-G460 PolarHBondContact O-N 2.64Å; L456-L502 HydrophobicContact CB-CD1 4.18Å; L456-L502 HydrophobicContact CB-CD2 4.14Å; L456-L507 HydrophobicContact CD1-CB 4.14Å; L456-L507 HydrophobicContact CD2-CB 4.34Å; L456-L507 HydrophobicContact CD2-CD1 4.15Å; L456-I508 HydrophobicContact CD1-CG2 3.59Å; L456-A536 HydrophobicContact CD1-CB 4.38Å; L456-S543 WeakPolarHBondContact CD2-OG 3.35Å; L456-V544 HydrophobicContact CD2-CG2 4.31Å; L456-V544 HydrophobicContact CG-CG2 3.78Å; L456-T550 HydrophobicContact CD2-CG2 3.79Å
457S97.2Very high96.2Very high2 Ų223.4 Ų23.41%0.01412%0.123CC..Hα-helixtrans-66.3-36.6176.4-173.60000112.7K112 Q453 F454 I455 L461K112-S457 PolarHBondContact NZ-OG 2.78Å; Q453-S457 VanDerWaalsContact O-CB 3.29Å; Q453-S457 WeakPolarHBondContact O-CB 3.19Å; Q453-S457 PolarHBondContact O-N 3.47Å; F454-S457 CarbonylContact O-C 3.38Å; F454-S457 WeakPolarHBondContact O-CA 3.45Å; F454-S457 WeakPolarHBondContact O-CB 3.46Å; F454-S457 PolarHBondContact O-N 2.89Å; I455-S457 VanDerWaalsContact C-N 3.27Å; I455-S457 PolarHBondContact O-N 3.45Å; S457-L461 VanDerWaalsContact O-CB 3.22Å; S457-L461 WeakPolarHBondContact O-CB 3.35Å; S457-L461 VanDerWaalsContact O-CG 3.22Å; S457-L461 WeakPolarHBondContact O-CG 3.43Å; S457-L461 PolarHBondContact O-N 3.04Å; S457-L461 VanDerWaalsContact O-N 3.1Å; S457-L461 WeakPolarHBondContact OG-CD1 3.42Å
458L98.1Very high96.4Very high0 Ų020 Ų200%011%0.109CC..Hα-helixtrans-63.7-47.2175.7-69.2175.4000111.1L115 F454 I455 E462 L463 A464 S473L115-L458 HydrophobicContact CD1-CD2 3.85Å; F454-L458 HydrophobicContact CD1-CD1 4.04Å; F454-L458 HydrophobicContact CD1-CG 4.44Å; F454-L458 HydrophobicContact CE1-CD1 3.55Å; F454-L458 HydrophobicContact CE1-CD2 4.36Å; F454-L458 HydrophobicContact CE1-CG 4.07Å; F454-L458 HydrophobicContact CE2-CD2 4.01Å; F454-L458 HydrophobicContact CE2-CG 4.18Å; F454-L458 HydrophobicContact CZ-CD1 3.85Å; F454-L458 HydrophobicContact CZ-CD2 3.77Å; F454-L458 HydrophobicContact CZ-CG 3.93Å; F454-L458 WeakPolarHBondContact O-CG 3.45Å; F454-L458 PolarHBondContact O-N 3.32Å; I455-L458 WeakPolarHBondContact O-CB 3.39Å; I455-L458 PolarHBondContact O-N 2.98Å; I455-L458 VanDerWaalsContact O-N 3.16Å; L458-E462 PolarHBondContact O-N 3.08Å; L458-L463 HydrophobicContact CD2-CB 4.05Å; L458-L463 HydrophobicContact CD2-CD1 4.08Å; L458-L463 PolarHBondContact O-N 2.95Å; L458-A464 HydrophobicContact CB-CB 4.18Å; L458-A464 HydrophobicContact CD1-CB 4.47Å; L458-A464 PolarHBondContact O-N 3.38Å; L458-S473 VanDerWaalsContact CD1-CB 3.46Å
459I97.8Very high96.6Very high4 Ų423.4 Ų23.42%0.02113%0.126CC..Hα-helixtrans-69.5-46.9-179.1-63.2164.9000110.4I455 L456 L461 E462 A464 I470 L499 I508 F534 A536I455-I459 HydrophobicContact CG2-CD1 3.84Å; I455-I459 WeakPolarHBondContact O-CG1 3.24Å; I455-I459 PolarHBondContact O-N 2.95Å; L456-I459 PolarHBondContact O-N 2.76Å; I459-L461 VanDerWaalsContact C-N 3.3Å; I459-L461 PolarHBondContact O-N 3.31Å; I459-E462 PolarHBondContact O-N 3.49Å; I459-E462 VanDerWaalsContact O-N 3.09Å; I459-A464 WeakPolarHBondContact CA-O 3.19Å; I459-I470 HydrophobicContact CD1-CD1 3.92Å; I459-I470 HydrophobicContact CG1-CD1 3.95Å; I459-I470 HydrophobicContact CG1-CG1 4.42Å; I459-L499 HydrophobicContact CD1-CD1 3.99Å; I459-I508 HydrophobicContact CD1-CD1 3.92Å; I459-I508 HydrophobicContact CD1-CG2 4.04Å; I459-I508 HydrophobicContact CG2-CG2 4.35Å; I459-F534 HydrophobicContact CD1-CB 3.81Å; I459-F534 HydrophobicContact CD1-CG 4.35Å; I459-F534 HydrophobicContact CG1-CB 4.15Å; I459-F534 HydrophobicContact CG2-CB 4.09Å; I459-A536 HydrophobicContact CG2-CB 4.29Å
460G96.1Very high96.8Very high12 Ų1223 Ų2312%0.12412%0.124CC..Hα-helixtrans-69.5-23.8-176.400000114.4L456L456-G460 PolarHBondContact O-N 2.64Å
461L96.3Very high96.8Very high14 Ų1423.8 Ų23.87%0.07313%0.128CC..THydrogen-bonded Turntrans-97.77.3172.3-62.1174.1000112.9N74 I77 D78 K112 S457 I459 L463 V544N74-L461 HydrophobicContact CB-CD1 4.21Å; N74-L461 HydrophobicContact CB-CD2 4.29Å; N74-L461 WeakPolarHBondContact O-CD2 3.29Å; I77-L461 HydrophobicContact CB-CD1 4.27Å; I77-L461 HydrophobicContact CD1-CD1 4.11Å; I77-L461 HydrophobicContact CG2-CB 3.84Å; I77-L461 HydrophobicContact CG2-CD1 4.14Å; I77-L461 HydrophobicContact CG2-CD2 4.41Å; I77-L461 HydrophobicContact CG2-CG 4.36Å; D78-L461 HydrophobicContact CB-CD2 4.04Å; K112-L461 HydrophobicContact CD-CD1 4.01Å; S457-L461 VanDerWaalsContact O-CB 3.22Å; S457-L461 WeakPolarHBondContact O-CB 3.35Å; S457-L461 VanDerWaalsContact O-CG 3.22Å; S457-L461 WeakPolarHBondContact O-CG 3.43Å; S457-L461 PolarHBondContact O-N 3.04Å; S457-L461 VanDerWaalsContact O-N 3.1Å; S457-L461 WeakPolarHBondContact OG-CD1 3.42Å; I459-L461 VanDerWaalsContact C-N 3.3Å; I459-L461 PolarHBondContact O-N 3.31Å; L461-L463 HydrophobicContact CB-CD1 4.43Å; L461-L463 HydrophobicContact CB-CG 4.11Å; L461-L463 PolarHBondContact O-N 3.49Å; L461-V544 HydrophobicContact CD1-CG1 4.41Å; L461-V544 HydrophobicContact CD2-CG1 3.85Å; L461-V544 HydrophobicContact CG-CG1 3.82Å
462E96Very high96.8Very high152 Ų15229.9 Ų29.971%0.7115%0.152SC*.THydrogen-bonded Turntrans57.127.1-179.5-53.7-174.9163.400114.8L458 I459L458-E462 PolarHBondContact O-N 3.08Å; I459-E462 PolarHBondContact O-N 3.49Å; I459-E462 VanDerWaalsContact O-N 3.09Å
463L96Very high96.8Very high54 Ų5429.3 Ų29.328%0.28315%0.15SC..SBendtrans-77.2-35.8175.8-63.5179.3000112.4I77 K112 S116 L458 L461I77-L463 HydrophobicContact CD1-CD1 4.34Å; I77-L463 HydrophobicContact CG2-CD1 4.47Å; I77-L463 HydrophobicContact CG2-CD2 3.84Å; I77-L463 HydrophobicContact CG2-CG 4.25Å; K112-L463 HydrophobicContact CB-CD1 4.4Å; K112-L463 HydrophobicContact CD-CD1 4.15Å; K112-L463 HydrophobicContact CG-CD1 3.88Å; S116-L463 WeakPolarHBondContact OG-CD2 3.1Å; L458-L463 HydrophobicContact CD2-CB 4.05Å; L458-L463 HydrophobicContact CD2-CD1 4.08Å; L458-L463 PolarHBondContact O-N 2.95Å; L461-L463 HydrophobicContact CB-CD1 4.43Å; L461-L463 HydrophobicContact CB-CG 4.11Å; L461-L463 PolarHBondContact O-N 3.49Å
464A97Very high96.9Very high2 Ų228.5 Ų28.52%0.01715%0.146CC..  trans-144.3124.4175.100000109.1L458 I459 D469 I470L458-A464 HydrophobicContact CB-CB 4.18Å; L458-A464 HydrophobicContact CD1-CB 4.47Å; L458-A464 PolarHBondContact O-N 3.38Å; I459-A464 WeakPolarHBondContact CA-O 3.19Å; A464-D469 HydrophobicContact CB-CB 3.77Å; A464-I470 HydrophobicContact CB-CG1 3.87Å
465T95.2Very high96.8Very high18 Ų1832.4 Ų32.411%0.1117%0.165CC..  trans-124.2-7.8-174.958.10000113.4R533 F534T465-R533 CarbonylContact O-C 3.57Å; T465-R533 WeakPolarHBondContact O-CA 3.26Å; T465-R533 WeakPolarHBondContact O-CG 3.31Å; T465-R533 VanDerWaalsContact OG1-CZ 3.3Å; T465-R533 PolarHBondContact OG1-NH1 3.36Å; T465-R533 PolarHBondContact OG1-NH2 3.42Å; T465-F534 PolarHBondContact O-N 2.95Å
466T95.7Very high96.7Very high29 Ų2935.8 Ų35.818%0.17818%0.179CC..BIsolated β-bridgetrans-114.7157.5175.273.50000109.8D469 I470T466-D469 PolarHBondContact O-N 3.24Å; T466-D469 PolarHBondContact OG1-N 3.12Å; T466-D469 PolarHBondContact OG1-OD2 3.04Å; T466-I470 WeakPolarHBondContact O-CD1 3.06Å; T466-I470 VanDerWaalsContact O-CG1 3.26Å; T466-I470 WeakPolarHBondContact O-CG1 3.31Å; T466-I470 PolarHBondContact O-N 2.92Å
467Y95.7Very high96.6Very high9 Ų935.8 Ų35.84%0.03518%0.179CC..Hα-helixtrans-57.1-47179.9-175-100.6000113.3D469 I470 I471 D492 R496 L499 L529 E530Y467-D469 VanDerWaalsContact C-N 3.33Å; Y467-D469 PolarHBondContact O-N 2.72Å; Y467-I470 PolarHBondContact O-N 3.47Å; Y467-I471 HydrophobicContact CD1-CG1 4.14Å; Y467-I471 HydrophobicContact CE1-CD1 4.2Å; Y467-I471 HydrophobicContact CE1-CG1 3.73Å; Y467-I471 HydrophobicContact CE2-CD1 4.2Å; Y467-I471 HydrophobicContact CE2-CG1 4.15Å; Y467-I471 WeakPolarHBondContact O-CG1 3.24Å; Y467-I471 PolarHBondContact O-N 3.45Å; Y467-D492 PolarHBondContact OH-O 3.3Å; Y467-D492 PolarHBondContact OH-OD1 2.93Å; Y467-D492 PolarHBondContact OH-OD2 3.35Å; Y467-R496 PolarHBondContact OH-NE 2.99Å; Y467-R496 PolarHBondContact OH-NH2 3.43Å; Y467-R496 VanDerWaalsContact OH-NH2 3.11Å; Y467-L499 HydrophobicContact CD2-CD2 3.76Å; Y467-L499 HydrophobicContact CE2-CD2 4.05Å; Y467-L529 WeakPolarHBondContact CB-O 3.43Å; Y467-L529 HydrophobicContact CD2-CB 4.28Å; Y467-E530 HydrophobicContact CD1-CG 4.17Å; Y467-E530 HydrophobicContact CE1-CG 4.48Å
468P95.6Very high96.6Very high78 Ų7835.8 Ų35.851%0.50618%0.179SC..Hα-helixtrans-58.7-40.9176.3-25.235.8000113.5I470 I471 W472P468-I470 VanDerWaalsContact C-N 3.34Å; P468-I470 PolarHBondContact O-N 2.87Å; P468-I471 PolarHBondContact O-N 3.49Å; P468-W472 VanDerWaalsContact O-CB 3.28Å; P468-W472 WeakPolarHBondContact O-CB 3.46Å; P468-W472 PolarHBondContact O-N 3.38Å
469D96.6Very high96.5Very high73 Ų7336 Ų3639%0.3918%0.18SC..Hα-helixtrans-67.4-36.8179.3-60-32.3000111.8A464 T466 Y467 S473A464-D469 HydrophobicContact CB-CB 3.77Å; T466-D469 PolarHBondContact O-N 3.24Å; T466-D469 PolarHBondContact OG1-N 3.12Å; T466-D469 PolarHBondContact OG1-OD2 3.04Å; Y467-D469 VanDerWaalsContact C-N 3.33Å; Y467-D469 PolarHBondContact O-N 2.72Å; D469-S473 VanDerWaalsContact O-CB 3.29Å; D469-S473 WeakPolarHBondContact O-CB 3.38Å; D469-S473 PolarHBondContact O-N 3.42Å; D469-S473 PolarHBondContact O-OG 3.35Å
470I97.7Very high96.4Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-65.8-49.6177.6-69.3163.9000109.6I455 I459 A464 T466 Y467 P468 W472 S473 C474 V495 L499 F534I455-I470 HydrophobicContact CG1-CG2 4.33Å; I455-I470 HydrophobicContact CG2-CG2 4.13Å; I459-I470 HydrophobicContact CD1-CD1 3.92Å; I459-I470 HydrophobicContact CG1-CD1 3.95Å; I459-I470 HydrophobicContact CG1-CG1 4.42Å; A464-I470 HydrophobicContact CB-CG1 3.87Å; T466-I470 WeakPolarHBondContact O-CD1 3.06Å; T466-I470 VanDerWaalsContact O-CG1 3.26Å; T466-I470 WeakPolarHBondContact O-CG1 3.31Å; T466-I470 PolarHBondContact O-N 2.92Å; Y467-I470 PolarHBondContact O-N 3.47Å; P468-I470 VanDerWaalsContact C-N 3.34Å; P468-I470 PolarHBondContact O-N 2.87Å; I470-W472 PolarHBondContact O-N 3.36Å; I470-S473 PolarHBondContact O-N 2.85Å; I470-C474 WeakPolarHBondContact O-CB 3.33Å; I470-C474 PolarHBondContact O-N 3.42Å; I470-C474 PolarHBondContact O-SG 2.8Å; I470-V495 HydrophobicContact CG2-CG1 4.03Å; I470-L499 HydrophobicContact CD1-CD1 4.27Å; I470-F534 HydrophobicContact CD1-CD2 3.54Å; I470-F534 HydrophobicContact CD1-CE2 4.08Å; I470-F534 HydrophobicContact CD1-CG 4.16Å
471I97Very high96.3Very high17 Ų1735.7 Ų35.79%0.08718%0.177CC..Hα-helixtrans-58.2-50.8177.4-67.3-74000110.2Y467 P468 S473 C474 E475 V495Y467-I471 HydrophobicContact CD1-CG1 4.14Å; Y467-I471 HydrophobicContact CE1-CD1 4.2Å; Y467-I471 HydrophobicContact CE1-CG1 3.73Å; Y467-I471 HydrophobicContact CE2-CD1 4.2Å; Y467-I471 HydrophobicContact CE2-CG1 4.15Å; Y467-I471 WeakPolarHBondContact O-CG1 3.24Å; Y467-I471 PolarHBondContact O-N 3.45Å; P468-I471 PolarHBondContact O-N 3.49Å; I471-S473 VanDerWaalsContact C-N 3.25Å; I471-S473 PolarHBondContact O-N 2.93Å; I471-C474 CarbonylContact O-C 3.4Å; I471-C474 WeakPolarHBondContact O-CA 2.96Å; I471-C474 WeakPolarHBondContact O-CB 2.98Å; I471-C474 PolarHBondContact O-N 3.13Å; I471-E475 HydrophobicContact CG2-CG 4.45Å; I471-E475 WeakPolarHBondContact O-CG 3.41Å; I471-E475 PolarHBondContact O-N 3.28Å; I471-V495 HydrophobicContact CD1-CB 3.49Å; I471-V495 VanDerWaalsContact CD1-CB 3.49Å; I471-V495 HydrophobicContact CD1-CG1 3.47Å; I471-V495 VanDerWaalsContact CD1-CG1 3.47Å; I471-V495 HydrophobicContact CD1-CG2 3.98Å; I471-V495 HydrophobicContact CG1-CG1 4.38Å
472W96.9Very high96.2Very high129 Ų12935.2 Ų35.249%0.48918%0.175SC..Hα-helixtrans-56.9-39.8178.4177.287.1000112.5L115 P468 I470 E475 K476L115-W472 HydrophobicContact CD2-CE3 4.23Å; L115-W472 HydrophobicContact CD2-CH2 3.76Å; L115-W472 HydrophobicContact CD2-CZ3 3.4Å; L115-W472 VanDerWaalsContact CD2-CZ3 3.4Å; P468-W472 VanDerWaalsContact O-CB 3.28Å; P468-W472 WeakPolarHBondContact O-CB 3.46Å; P468-W472 PolarHBondContact O-N 3.38Å; I470-W472 PolarHBondContact O-N 3.36Å; W472-E475 PolarHBondContact O-N 3.48Å; W472-K476 VanDerWaalsContact CE2-CE 3.44Å; W472-K476 WeakPolarHBondContact O-CG 3.39Å
473S97.7Very high96.1Very high4 Ų429.9 Ų29.93%0.02815%0.148CC..Hα-helixtrans-68.6-41.1176.7-61.20000112L458 D469 I470 I471 E475 K476L458-S473 VanDerWaalsContact CD1-CB 3.46Å; D469-S473 VanDerWaalsContact O-CB 3.29Å; D469-S473 WeakPolarHBondContact O-CB 3.38Å; D469-S473 PolarHBondContact O-N 3.42Å; D469-S473 PolarHBondContact O-OG 3.35Å; I470-S473 PolarHBondContact O-N 2.85Å; I471-S473 VanDerWaalsContact C-N 3.25Å; I471-S473 PolarHBondContact O-N 2.93Å; S473-E475 VanDerWaalsContact C-N 3.31Å; S473-E475 PolarHBondContact O-N 3.31Å; S473-K476 WeakPolarHBondContact O-CB 3.5Å; S473-K476 PolarHBondContact O-N 2.93Å; S473-K476 VanDerWaalsContact O-N 3.17Å
474C97.8Very high96Very high0 Ų034 Ų340%016%0.16CC..Hα-helixtrans-62.6-36.5174.3-72.60000111.9I470 I471 K476 T477 F491 V495I470-C474 WeakPolarHBondContact O-CB 3.33Å; I470-C474 PolarHBondContact O-N 3.42Å; I470-C474 PolarHBondContact O-SG 2.8Å; I471-C474 CarbonylContact O-C 3.4Å; I471-C474 WeakPolarHBondContact O-CA 2.96Å; I471-C474 WeakPolarHBondContact O-CB 2.98Å; I471-C474 PolarHBondContact O-N 3.13Å; C474-K476 PolarHBondContact O-N 2.98Å; C474-T477 WeakPolarHBondContact O-CB 3.37Å; C474-T477 WeakPolarHBondContact O-CG2 3.31Å; C474-T477 PolarHBondContact O-N 3.25Å; C474-T477 VanDerWaalsContact O-N 3.14Å; C474-T477 PolarHBondContact O-OG1 3.28Å; C474-F491 HydrophobicContact CB-CE1 3.8Å; C474-F491 HydrophobicContact CB-CZ 3.79Å; C474-V495 HydrophobicContact CB-CG2 3.9Å
475E96.4Very high95.6Very high83 Ų8337.8 Ų37.839%0.38818%0.18SC..Hα-helixtrans-64.3-21.1175.5-71.7177.6165.400113.5I471 W472 S473 T477 F491I471-E475 HydrophobicContact CG2-CG 4.45Å; I471-E475 WeakPolarHBondContact O-CG 3.41Å; I471-E475 PolarHBondContact O-N 3.28Å; W472-E475 PolarHBondContact O-N 3.48Å; S473-E475 VanDerWaalsContact C-N 3.31Å; S473-E475 PolarHBondContact O-N 3.31Å; E475-T477 VanDerWaalsContact C-N 3.33Å; E475-F491 HydrophobicContact CG-CD1 4.1Å; E475-F491 HydrophobicContact CG-CE1 3.87Å
476K95.6Very high95.3Very high71 Ų7141 Ų4131%0.30919%0.19SC..THydrogen-bonded Turntrans-81.2-11.5176.2-56.8-46.7178.8-168.50114T111 L115 W472 S473 C474T111-K476 HydrophobicContact CG2-CB 4.09Å; L115-K476 HydrophobicContact CD2-CB 4.45Å; L115-K476 HydrophobicContact CD2-CG 4.06Å; W472-K476 VanDerWaalsContact CE2-CE 3.44Å; W472-K476 WeakPolarHBondContact O-CG 3.39Å; S473-K476 WeakPolarHBondContact O-CB 3.5Å; S473-K476 PolarHBondContact O-N 2.93Å; S473-K476 VanDerWaalsContact O-N 3.17Å; C474-K476 PolarHBondContact O-N 2.98Å
477T96.9Very high94.6Very high0 Ų047.9 Ų47.90%022%0.221CC..SBendtrans-70.9164.3176.2660000111.2E107 T111 L443 F454 C474 E475 L479 G480 V481E107-T477 WeakPolarHBondContact OE1-CB 3.29Å; T111-T477 HydrophobicContact CG2-CG2 3.88Å; L443-T477 HydrophobicContact CD1-CG2 3.82Å; F454-T477 HydrophobicContact CD1-CG2 3.87Å; F454-T477 HydrophobicContact CE1-CG2 3.4Å; F454-T477 VanDerWaalsContact CE1-CG2 3.4Å; F454-T477 HydrophobicContact CE2-CG2 4.44Å; F454-T477 HydrophobicContact CZ-CG2 3.73Å; C474-T477 WeakPolarHBondContact O-CB 3.37Å; C474-T477 WeakPolarHBondContact O-CG2 3.31Å; C474-T477 PolarHBondContact O-N 3.25Å; C474-T477 VanDerWaalsContact O-N 3.14Å; C474-T477 PolarHBondContact O-OG1 3.28Å; E475-T477 VanDerWaalsContact C-N 3.33Å; T477-L479 PolarHBondContact O-N 2.74Å; T477-L479 WeakPolarHBondContact OG1-CB 3.45Å; T477-L479 PolarHBondContact OG1-N 2.92Å; T477-G480 PolarHBondContact O-N 2.89Å; T477-G480 PolarHBondContact OG1-N 3.02Å; T477-V481 WeakPolarHBondContact O-CG2 3.2Å; T477-V481 PolarHBondContact O-N 3.44Å
478L95.9Very high93.8Very high2 Ų253.9 Ų53.91%0.0124%0.243CC..Hα-helixtrans-61.9-35.5171.3179.164.3000109.7I96 E107 D134 L135 C138 V481 Q482I96-L478 HydrophobicContact CG2-CD2 3.58Å; E107-L478 HydrophobicContact CG-CB 4.16Å; E107-L478 WeakPolarHBondContact OE1-CA 3.49Å; E107-L478 WeakPolarHBondContact OE1-CB 3.43Å; E107-L478 PolarHBondContact OE1-N 3.48Å; D134-L478 HydrophobicContact CB-CD1 3.96Å; L135-L478 HydrophobicContact CD2-CD1 4.1Å; L135-L478 HydrophobicContact CD2-CD2 3.76Å; L135-L478 HydrophobicContact CD2-CG 4.5Å; C138-L478 HydrophobicContact CB-CB 4.46Å; C138-L478 HydrophobicContact CB-CD1 4.02Å; C138-L478 VanDerWaalsContact SG-CA 3.54Å; C138-L478 PolarHBondContact SG-N 3.01Å; L478-V481 PolarHBondContact O-N 2.97Å; L478-Q482 HydrophobicContact CD1-CG 4.04Å; L478-Q482 HydrophobicContact CG-CG 4.24Å; L478-Q482 WeakPolarHBondContact O-CB 3.38Å; L478-Q482 VanDerWaalsContact O-CG 3.23Å; L478-Q482 WeakPolarHBondContact O-CG 3.29Å; L478-Q482 PolarHBondContact O-N 3.35Å
479L96.4Very high93.4Very high4 Ų453.1 Ų53.12%0.02125%0.249CC..Hα-helixtrans-55.7-52.2173-171.863.8000111.7E107 S441 L443 L444 L451 T477 V481 Q482 Y483 F491 L494E107-L479 PolarHBondContact OE1-N 2.76Å; S441-L479 WeakPolarHBondContact OG-CB 2.97Å; L443-L479 HydrophobicContact CB-CB 4.47Å; L443-L479 HydrophobicContact CB-CD2 4.06Å; L443-L479 HydrophobicContact CD1-CB 4.05Å; L443-L479 HydrophobicContact CD1-CD2 4.47Å; L444-L479 HydrophobicContact CD1-CD1 3.73Å; L444-L479 HydrophobicContact CD2-CD1 4.44Å; L444-L479 HydrophobicContact CD2-CD2 4.02Å; L444-L479 HydrophobicContact CG-CD1 3.71Å; L444-L479 HydrophobicContact CG-CD2 4.1Å; L451-L479 HydrophobicContact CD1-CD2 4.37Å; L451-L479 HydrophobicContact CD2-CD2 4.08Å; T477-L479 PolarHBondContact O-N 2.74Å; T477-L479 WeakPolarHBondContact OG1-CB 3.45Å; T477-L479 PolarHBondContact OG1-N 2.92Å; L479-V481 PolarHBondContact O-N 3.24Å; L479-Q482 PolarHBondContact O-N 3.44Å; L479-Y483 HydrophobicContact CD1-CD2 3.85Å; L479-Y483 HydrophobicContact CD1-CE2 3.68Å; L479-Y483 HydrophobicContact CG-CD2 4.05Å; L479-Y483 HydrophobicContact CG-CE2 4.16Å; L479-Y483 WeakPolarHBondContact O-CD2 3.21Å; L479-Y483 PolarHBondContact O-N 2.8Å; L479-F491 HydrophobicContact CD2-CE2 4.13Å; L479-F491 HydrophobicContact CG-CE2 4.08Å; L479-L494 HydrophobicContact CD2-CD2 4.25Å
480G96.1Very high93.1Very high6 Ų654.7 Ų54.76%0.06226%0.258CS..Hα-helixtrans-60.8-44.8-179.400000112.4T477 Q482 Y483 R484T477-G480 PolarHBondContact O-N 2.89Å; T477-G480 PolarHBondContact OG1-N 3.02Å; G480-Q482 PolarHBondContact O-N 2.93Å; G480-Y483 PolarHBondContact O-N 3.34Å; G480-R484 WeakPolarHBondContact O-CB 3.39Å; G480-R484 PolarHBondContact O-N 3.13Å
481V94.2Very high93Very high4 Ų455.8 Ų55.82%0.02426%0.263CS..Hα-helixtrans-60.4-45.2174.8170.80000111.4D137 C138 T477 L478 L479 R484 L485D137-V481 HydrophobicContact CB-CG1 4.2Å; D137-V481 WeakPolarHBondContact OD2-CG1 3.45Å; C138-V481 HydrophobicContact CB-CB 4.37Å; C138-V481 HydrophobicContact CB-CG2 4Å; T477-V481 WeakPolarHBondContact O-CG2 3.2Å; T477-V481 PolarHBondContact O-N 3.44Å; L478-V481 PolarHBondContact O-N 2.97Å; L479-V481 PolarHBondContact O-N 3.24Å; V481-R484 WeakPolarHBondContact O-CB 3.41Å; V481-R484 PolarHBondContact O-N 3.23Å; V481-L485 HydrophobicContact CG1-CD1 3.68Å; V481-L485 HydrophobicContact CG1-CG 4.23Å; V481-L485 WeakPolarHBondContact O-CB 3.48Å; V481-L485 VanDerWaalsContact O-CG 3.3Å; V481-L485 WeakPolarHBondContact O-CG 3.37Å; V481-L485 PolarHBondContact O-N 3.33Å
482Q93.7Very high92.9Very high5 Ų557.4 Ų57.42%0.02327%0.271CS..Hα-helixtrans-68.8-36179.5-72.1-177.3-24.500112.6D134 C439 L478 L479 G480 R484 L485 Y486D134-Q482 HydrophobicContact CB-CG 4.41Å; D134-Q482 PolarHBondContact OD2-NE2 2.71Å; C439-Q482 PolarHBondContact O-NE2 3.27Å; L478-Q482 HydrophobicContact CD1-CG 4.04Å; L478-Q482 HydrophobicContact CG-CG 4.24Å; L478-Q482 WeakPolarHBondContact O-CB 3.38Å; L478-Q482 VanDerWaalsContact O-CG 3.23Å; L478-Q482 WeakPolarHBondContact O-CG 3.29Å; L478-Q482 PolarHBondContact O-N 3.35Å; L479-Q482 PolarHBondContact O-N 3.44Å; G480-Q482 PolarHBondContact O-N 2.93Å; Q482-R484 VanDerWaalsContact C-N 3.33Å; Q482-L485 PolarHBondContact O-N 3.28Å; Q482-Y486 HydrophobicContact CB-CD2 3.97Å; Q482-Y486 HydrophobicContact CB-CE2 4.16Å; Q482-Y486 HydrophobicContact CG-CD2 4.33Å; Q482-Y486 HydrophobicContact CG-CE2 4Å; Q482-Y486 WeakPolarHBondContact O-CB 3.26Å; Q482-Y486 WeakPolarHBondContact O-CD2 3.45Å; Q482-Y486 PolarHBondContact O-N 2.91Å
483Y94Very high92.7Very high39 Ų3955.5 Ų55.515%0.15327%0.271CS..Hα-helixtrans-61.1-43.4172.2-99.2-103.9000111.6L444 L479 G480 Q487 R488 F491 L494L444-Y483 HydrophobicContact CD1-CE2 4.25Å; L479-Y483 HydrophobicContact CD1-CD2 3.85Å; L479-Y483 HydrophobicContact CD1-CE2 3.68Å; L479-Y483 HydrophobicContact CG-CD2 4.05Å; L479-Y483 HydrophobicContact CG-CE2 4.16Å; L479-Y483 WeakPolarHBondContact O-CD2 3.21Å; L479-Y483 PolarHBondContact O-N 2.8Å; G480-Y483 PolarHBondContact O-N 3.34Å; Y483-Q487 VanDerWaalsContact O-CA 3.29Å; Y483-Q487 WeakPolarHBondContact O-CA 3.47Å; Y483-Q487 PolarHBondContact O-N 2.59Å; Y483-R488 HydrophobicContact CD1-CB 3.81Å; Y483-R488 HydrophobicContact CD2-CB 4.33Å; Y483-R488 HydrophobicContact CE1-CB 3.79Å; Y483-R488 WeakPolarHBondContact CE1-O 3.47Å; Y483-R488 HydrophobicContact CE2-CB 4.29Å; Y483-R488 HydrophobicContact CG-CB 4.09Å; Y483-R488 PolarHBondContact O-N 3.07Å; Y483-F491 HydrophobicContact CD1-CB 3.99Å; Y483-F491 AromaticContact CD1-CD2 3.83Å; Y483-F491 HydrophobicContact CD1-CD2 3.83Å; Y483-F491 HydrophobicContact CD1-CG 4.38Å; Y483-F491 HydrophobicContact CD2-CD2 4.04Å; Y483-F491 HydrophobicContact CD2-CE2 4.39Å; Y483-F491 HydrophobicContact CE1-CD2 4.37Å; Y483-F491 HydrophobicContact CG-CB 4.42Å; Y483-F491 AromaticContact CG-CD2 3.64Å; Y483-F491 HydrophobicContact CG-CD2 3.64Å; Y483-F491 HydrophobicContact CG-CE2 4.36Å; Y483-F491 HydrophobicContact CG-CG 4.39Å; Y483-L494 HydrophobicContact CE1-CD2 4.35Å; Y483-L494 HydrophobicContact CE2-CD2 4.12Å
484R93Very high92.6Very high140 Ų14056.7 Ų56.753%0.52828%0.277SS..Hα-helixtrans-64.4-47.5176.1-178.9179.167.3-162.14.3112.5D137 G480 V481 Q482D137-R484 IonicContact OD1-NH2 3.13Å; D137-R484 IonicContact OD2-NH2 2.71Å; D137-R484 PolarHBondContact OD2-NH2 3.09Å; G480-R484 WeakPolarHBondContact O-CB 3.39Å; G480-R484 PolarHBondContact O-N 3.13Å; V481-R484 WeakPolarHBondContact O-CB 3.41Å; V481-R484 PolarHBondContact O-N 3.23Å; Q482-R484 VanDerWaalsContact C-N 3.33Å
485L90.2Very high92.6Very high83 Ų8356.7 Ų56.744%0.43528%0.277SS..Hα-helixtrans-70.3-38.1-176.7-71175.1000112.8V481 Q482V481-L485 HydrophobicContact CG1-CD1 3.68Å; V481-L485 HydrophobicContact CG1-CG 4.23Å; V481-L485 WeakPolarHBondContact O-CB 3.48Å; V481-L485 VanDerWaalsContact O-CG 3.3Å; V481-L485 WeakPolarHBondContact O-CG 3.37Å; V481-L485 PolarHBondContact O-N 3.33Å; Q482-L485 PolarHBondContact O-N 3.28Å
486Y89Confident92.5Very high84 Ų8455.3 Ų55.333%0.32927%0.268SS..Hα-helixtrans-105.75.8-174-56.5-63.4000114.1D134 Q482 R488D134-Y486 PolarHBondContact OD1-OH 2.95Å; D134-Y486 WeakPolarHBondContact OD2-CE2 3.44Å; D134-Y486 PolarHBondContact OD2-OH 3.05Å; Q482-Y486 HydrophobicContact CB-CD2 3.97Å; Q482-Y486 HydrophobicContact CB-CE2 4.16Å; Q482-Y486 HydrophobicContact CG-CD2 4.33Å; Q482-Y486 HydrophobicContact CG-CE2 4Å; Q482-Y486 WeakPolarHBondContact O-CB 3.26Å; Q482-Y486 WeakPolarHBondContact O-CD2 3.45Å; Q482-Y486 PolarHBondContact O-N 2.91Å; Y486-R488 PolarHBondContact O-N 2.91Å
487Q81Confident92.5Very high175 Ų17555 Ų5582%0.81827%0.272SS*.THydrogen-bonded Turntrans48.950.4177.7-61.4-178.9-10.200113.4Y483 G489Y483-Q487 VanDerWaalsContact O-CA 3.29Å; Y483-Q487 WeakPolarHBondContact O-CA 3.47Å; Y483-Q487 PolarHBondContact O-N 2.59Å; Q487-G489 PolarHBondContact O-N 3.02Å
488R78.2Confident92.5Very high135 Ų13555.7 Ų55.751%0.50928%0.275SS..  trans-79.334.6-170.4-77.4-172.9169.2-170.1-2.1115.9Y483 Y486Y483-R488 HydrophobicContact CD1-CB 3.81Å; Y483-R488 HydrophobicContact CD2-CB 4.33Å; Y483-R488 HydrophobicContact CE1-CB 3.79Å; Y483-R488 WeakPolarHBondContact CE1-O 3.47Å; Y483-R488 HydrophobicContact CE2-CB 4.29Å; Y483-R488 HydrophobicContact CG-CB 4.09Å; Y483-R488 PolarHBondContact O-N 3.07Å; Y486-R488 PolarHBondContact O-N 2.91Å
489G87.1Confident92.5Very high61 Ų6155.6 Ų55.663%0.62928%0.275SS*.SBendtrans87.8-161.4-175.100000112.6Q487 F491Q487-G489 PolarHBondContact O-N 3.02Å; G489-F491 PolarHBondContact O-N 3.26Å
490D91.3Very high92.4Very high107 Ų10758.3 Ų58.357%0.57229%0.289SS*.  trans-82.8113.2-173.7-165.4-19.9000111.7D492 D493 L494D490-D492 VanDerWaalsContact OD1-CB 3.31Å; D490-D492 WeakPolarHBondContact OD1-CB 3.38Å; D490-D492 PolarHBondContact OD1-N 3.33Å; D490-D493 HydrophobicContact CB-CB 3.95Å; D490-D493 PolarHBondContact OD1-N 2.65Å; D490-L494 PolarHBondContact O-N 2.92Å
491F94.4Very high92.4Very high23 Ų2359.9 Ų59.910%0.10130%0.298CS..Hα-helixtrans-76.5-29.8177.7-171.3-112.2000112.4C474 E475 L479 Y483 G489 L494 V495C474-F491 HydrophobicContact CB-CE1 3.8Å; C474-F491 HydrophobicContact CB-CZ 3.79Å; E475-F491 HydrophobicContact CG-CD1 4.1Å; E475-F491 HydrophobicContact CG-CE1 3.87Å; L479-F491 HydrophobicContact CD2-CE2 4.13Å; L479-F491 HydrophobicContact CG-CE2 4.08Å; Y483-F491 HydrophobicContact CD1-CB 3.99Å; Y483-F491 AromaticContact CD1-CD2 3.83Å; Y483-F491 HydrophobicContact CD1-CD2 3.83Å; Y483-F491 HydrophobicContact CD1-CG 4.38Å; Y483-F491 HydrophobicContact CD2-CD2 4.04Å; Y483-F491 HydrophobicContact CD2-CE2 4.39Å; Y483-F491 HydrophobicContact CE1-CD2 4.37Å; Y483-F491 HydrophobicContact CG-CB 4.42Å; Y483-F491 AromaticContact CG-CD2 3.64Å; Y483-F491 HydrophobicContact CG-CD2 3.64Å; Y483-F491 HydrophobicContact CG-CE2 4.36Å; Y483-F491 HydrophobicContact CG-CG 4.39Å; G489-F491 PolarHBondContact O-N 3.26Å; F491-L494 HydrophobicContact CD2-CD2 4.16Å; F491-L494 HydrophobicContact CE2-CD2 4.3Å; F491-L494 PolarHBondContact O-N 2.78Å; F491-V495 HydrophobicContact CD1-CG2 4.4Å; F491-V495 HydrophobicContact CE1-CG2 4.03Å; F491-V495 HydrophobicContact CZ-CG2 4.1Å; F491-V495 WeakPolarHBondContact O-CG2 3.48Å; F491-V495 PolarHBondContact O-N 2.95Å; F491-V495 VanDerWaalsContact O-N 3.13Å
492D94.4Very high92.6Very high50 Ų5059.7 Ų59.727%0.26730%0.297SS..Hα-helixtrans-65.6-47177.7-171.185.9000110.2Y467 D490 L494 V495 R496Y467-D492 PolarHBondContact OH-O 3.3Å; Y467-D492 PolarHBondContact OH-OD1 2.93Å; Y467-D492 PolarHBondContact OH-OD2 3.35Å; D490-D492 VanDerWaalsContact OD1-CB 3.31Å; D490-D492 WeakPolarHBondContact OD1-CB 3.38Å; D490-D492 PolarHBondContact OD1-N 3.33Å; D492-L494 VanDerWaalsContact C-N 3.31Å; D492-L494 PolarHBondContact O-N 3.46Å; D492-V495 PolarHBondContact O-N 2.96Å; D492-R496 VanDerWaalsContact O-CB 3.23Å; D492-R496 WeakPolarHBondContact O-CB 3.35Å; D492-R496 PolarHBondContact O-N 2.73Å; D492-R496 IonicContact OD2-CZ 3.68Å; D492-R496 IonicContact OD2-NE 3.73Å; D492-R496 PolarHBondContact OD2-NE 2.83Å; D492-R496 IonicContact OD2-NH2 2.92Å; D492-R496 PolarHBondContact OD2-NH2 3.1Å
493D94.6Very high92.6Very high90 Ų9062.2 Ų62.248%0.48131%0.31SS..Hα-helixtrans-60.5-39.1177.4-174.355000112.4D490 R496 T497D490-D493 HydrophobicContact CB-CB 3.95Å; D490-D493 PolarHBondContact OD1-N 2.65Å; D493-R496 PolarHBondContact O-N 3.05Å; D493-T497 WeakPolarHBondContact O-CB 3.33Å; D493-T497 PolarHBondContact O-N 3.06Å; D493-T497 PolarHBondContact O-OG1 3.23Å
494L95.5Very high92.7Very high28 Ų2868.7 Ų68.715%0.14734%0.339CS..Hα-helixtrans-61.6-51.9175173.665.1000111.5L444 L451 L479 Y483 D490 F491 D492 R496 T497 E498L444-L494 HydrophobicContact CD2-CD1 4.2Å; L444-L494 HydrophobicContact CD2-CD2 4.08Å; L451-L494 HydrophobicContact CD2-CD1 4.26Å; L451-L494 HydrophobicContact CD2-CD2 3.94Å; L451-L494 HydrophobicContact CD2-CG 3.75Å; L479-L494 HydrophobicContact CD2-CD2 4.25Å; Y483-L494 HydrophobicContact CE1-CD2 4.35Å; Y483-L494 HydrophobicContact CE2-CD2 4.12Å; D490-L494 PolarHBondContact O-N 2.92Å; F491-L494 HydrophobicContact CD2-CD2 4.16Å; F491-L494 HydrophobicContact CE2-CD2 4.3Å; F491-L494 PolarHBondContact O-N 2.78Å; D492-L494 VanDerWaalsContact C-N 3.31Å; D492-L494 PolarHBondContact O-N 3.46Å; L494-R496 VanDerWaalsContact C-N 3.29Å; L494-R496 PolarHBondContact O-N 3.49Å; L494-T497 PolarHBondContact O-N 3.42Å; L494-E498 PolarHBondContact O-N 3.38Å; L494-E498 VanDerWaalsContact O-N 3.12Å
495V96.5Very high92.8Very high0 Ų064.9 Ų64.90%033%0.327CS..Hα-helixtrans-63.1-39.9179.3173.40000110.7I455 I470 I471 C474 F491 D492 T497 E498 L499I455-V495 HydrophobicContact CD1-CG1 4.01Å; I470-V495 HydrophobicContact CG2-CG1 4.03Å; I471-V495 HydrophobicContact CD1-CB 3.49Å; I471-V495 VanDerWaalsContact CD1-CB 3.49Å; I471-V495 HydrophobicContact CD1-CG1 3.47Å; I471-V495 VanDerWaalsContact CD1-CG1 3.47Å; I471-V495 HydrophobicContact CD1-CG2 3.98Å; I471-V495 HydrophobicContact CG1-CG1 4.38Å; C474-V495 HydrophobicContact CB-CG2 3.9Å; F491-V495 HydrophobicContact CD1-CG2 4.4Å; F491-V495 HydrophobicContact CE1-CG2 4.03Å; F491-V495 HydrophobicContact CZ-CG2 4.1Å; F491-V495 WeakPolarHBondContact O-CG2 3.48Å; F491-V495 PolarHBondContact O-N 2.95Å; F491-V495 VanDerWaalsContact O-N 3.13Å; D492-V495 PolarHBondContact O-N 2.96Å; V495-T497 VanDerWaalsContact C-N 3.34Å; V495-T497 PolarHBondContact O-N 2.86Å; V495-E498 PolarHBondContact O-N 3.2Å; V495-L499 VanDerWaalsContact O-CB 3.3Å; V495-L499 WeakPolarHBondContact O-CB 3.33Å; V495-L499 PolarHBondContact O-N 2.96Å
496R95.5Very high93.1Very high54 Ų5465.7 Ų65.720%0.20433%0.332CS..Hα-helixtrans-61.1-41.9176.3-167.4179.6-66.4-94.90.8112.1Y467 D492 D493 L494 L499 N500 L529 E530Y467-R496 PolarHBondContact OH-NE 2.99Å; Y467-R496 PolarHBondContact OH-NH2 3.43Å; Y467-R496 VanDerWaalsContact OH-NH2 3.11Å; D492-R496 VanDerWaalsContact O-CB 3.23Å; D492-R496 WeakPolarHBondContact O-CB 3.35Å; D492-R496 PolarHBondContact O-N 2.73Å; D492-R496 IonicContact OD2-CZ 3.68Å; D492-R496 IonicContact OD2-NE 3.73Å; D492-R496 PolarHBondContact OD2-NE 2.83Å; D492-R496 IonicContact OD2-NH2 2.92Å; D492-R496 PolarHBondContact OD2-NH2 3.1Å; D493-R496 PolarHBondContact O-N 3.05Å; L494-R496 VanDerWaalsContact C-N 3.29Å; L494-R496 PolarHBondContact O-N 3.49Å; R496-L499 PolarHBondContact O-N 3.06Å; R496-N500 WeakPolarHBondContact O-CB 3.3Å; R496-N500 PolarHBondContact O-N 3.36Å; R496-N500 PolarHBondContact O-ND2 2.85Å; R496-N500 VanDerWaalsContact O-ND2 3.11Å; R496-L529 HydrophobicContact CG-CD1 3.61Å; R496-E530 IonicContact CZ-OE1 3.67Å; R496-E530 IonicContact NH1-OE1 3.35Å; R496-E530 PolarHBondContact NH1-OE1 2.88Å; R496-E530 IonicContact NH1-OE2 3.46Å; R496-E530 IonicContact NH2-OE1 2.93Å; R496-E530 PolarHBondContact NH2-OE1 2.86Å
497T95.4Very high93.5Very high65 Ų6561.7 Ų61.740%0.39932%0.317SS..Hα-helixtrans-63-45.6177.3-65.90000111.7D493 L494 V495 N500 T501D493-T497 WeakPolarHBondContact O-CB 3.33Å; D493-T497 PolarHBondContact O-N 3.06Å; D493-T497 PolarHBondContact O-OG1 3.23Å; L494-T497 PolarHBondContact O-N 3.42Å; V495-T497 VanDerWaalsContact C-N 3.34Å; V495-T497 PolarHBondContact O-N 2.86Å; T497-N500 PolarHBondContact O-N 3.22Å; T497-T501 PolarHBondContact O-N 3.34Å; T497-T501 PolarHBondContact O-OG1 2.86Å
498E96.1Very high94.2Very high15 Ų1553.5 Ų53.57%0.0728%0.278CS..Hα-helixtrans-70-36.2178.7-64.6-48.7155.300112.5L451 R452 I455 L494 V495 T501 L502L451-E498 HydrophobicContact CB-CG 4.43Å; L451-E498 HydrophobicContact CD2-CG 3.9Å; L451-E498 HydrophobicContact CG-CG 4.16Å; R452-E498 WeakPolarHBondContact CD-OE2 3.16Å; R452-E498 HydrophobicContact CG-CB 3.91Å; R452-E498 HydrophobicContact CG-CG 4.15Å; R452-E498 WeakPolarHBondContact CG-OE2 3.37Å; R452-E498 IonicContact CZ-OE2 3.33Å; R452-E498 IonicContact NE-OE2 2.77Å; R452-E498 IonicContact NH1-OE1 3.79Å; R452-E498 IonicContact NH1-OE2 3.39Å; R452-E498 PolarHBondContact NH1-OE2 3.21Å; I455-E498 HydrophobicContact CD1-CB 3.93Å; L494-E498 PolarHBondContact O-N 3.38Å; L494-E498 VanDerWaalsContact O-N 3.12Å; V495-E498 PolarHBondContact O-N 3.2Å; E498-T501 WeakPolarHBondContact O-CB 3.3Å; E498-T501 PolarHBondContact O-N 2.93Å; E498-T501 VanDerWaalsContact O-N 3.16Å; E498-L502 WeakPolarHBondContact O-CG 3.29Å; E498-L502 PolarHBondContact O-N 3.27Å
499L95.7Very high95Very high0 Ų049.8 Ų49.80%027%0.271CS..Hα-helixtrans-62.2-45.3174.1-168.868.7000111.7I455 I459 Y467 I470 V495 R496 T501 L502 I503 I508 L529 F534I455-L499 HydrophobicContact CG2-CD1 3.71Å; I459-L499 HydrophobicContact CD1-CD1 3.99Å; Y467-L499 HydrophobicContact CD2-CD2 3.76Å; Y467-L499 HydrophobicContact CE2-CD2 4.05Å; I470-L499 HydrophobicContact CD1-CD1 4.27Å; V495-L499 VanDerWaalsContact O-CB 3.3Å; V495-L499 WeakPolarHBondContact O-CB 3.33Å; V495-L499 PolarHBondContact O-N 2.96Å; R496-L499 PolarHBondContact O-N 3.06Å; L499-T501 PolarHBondContact O-N 2.68Å; L499-L502 PolarHBondContact O-N 2.77Å; L499-I503 WeakPolarHBondContact O-CG1 3.47Å; L499-I503 PolarHBondContact O-N 2.81Å; L499-I503 VanDerWaalsContact O-N 3.11Å; L499-I508 HydrophobicContact CD1-CD1 3.45Å; L499-I508 VanDerWaalsContact CD1-CD1 3.45Å; L499-I508 HydrophobicContact CG-CD1 4.19Å; L499-L529 HydrophobicContact CD2-CD2 4.39Å; L499-F534 HydrophobicContact CD1-CD1 4.18Å; L499-F534 HydrophobicContact CD1-CE1 4.22Å; L499-F534 HydrophobicContact CD1-CG 4.49Å; L499-F534 HydrophobicContact CD2-CD1 4.4Å; L499-F534 HydrophobicContact CD2-CE1 3.68Å; L499-F534 HydrophobicContact CD2-CE2 3.99Å; L499-F534 HydrophobicContact CD2-CZ 3.46Å; L499-F534 VanDerWaalsContact CD2-CZ 3.46Å; L499-F534 HydrophobicContact CG-CD1 4.45Å; L499-F534 HydrophobicContact CG-CE1 4.02Å; L499-F534 HydrophobicContact CG-CZ 4.3Å
500N94.9Very high95.2Very high61 Ų6147.9 Ų47.933%0.32625%0.249SC..Hα-helixtrans-61.3-34.8173.4-79.6-42.2000112.3R496 T497 I503 K504R496-N500 WeakPolarHBondContact O-CB 3.3Å; R496-N500 PolarHBondContact O-N 3.36Å; R496-N500 PolarHBondContact O-ND2 2.85Å; R496-N500 VanDerWaalsContact O-ND2 3.11Å; T497-N500 PolarHBondContact O-N 3.22Å; N500-I503 PolarHBondContact O-N 2.84Å; N500-K504 VanDerWaalsContact O-CG 3.32Å; N500-K504 WeakPolarHBondContact O-CG 3.14Å; N500-K504 PolarHBondContact O-N 3.34Å
501T96.1Very high95.1Very high39 Ų3944.3 Ų44.324%0.23923%0.231CC..Hα-helixtrans-66.1-42.8176.1-58.20000111.1T497 E498 L499 I503 K504 M505T497-T501 PolarHBondContact O-N 3.34Å; T497-T501 PolarHBondContact O-OG1 2.86Å; E498-T501 WeakPolarHBondContact O-CB 3.3Å; E498-T501 PolarHBondContact O-N 2.93Å; E498-T501 VanDerWaalsContact O-N 3.16Å; L499-T501 PolarHBondContact O-N 2.68Å; T501-I503 VanDerWaalsContact C-N 3.32Å; T501-I503 PolarHBondContact O-N 3.13Å; T501-K504 PolarHBondContact O-N 3.4Å; T501-M505 HydrophobicContact CG2-CG 4.48Å; T501-M505 HydrophobicContact CG2-SD 3.88Å; T501-M505 WeakPolarHBondContact O-CG 3.32Å; T501-M505 PolarHBondContact O-N 3.37Å
502L97.3Very high94.7Very high0 Ų043.9 Ų43.90%023%0.231CC..Hα-helixtrans-61.8-37.3175.1-69.5172.5000113.1R452 I455 L456 E498 L499 M505 D506 L507 I508 T550R452-L502 HydrophobicContact CB-CD2 4.07Å; R452-L502 HydrophobicContact CB-CG 4.41Å; I455-L502 HydrophobicContact CB-CD1 3.92Å; I455-L502 HydrophobicContact CG2-CD1 3.64Å; L456-L502 HydrophobicContact CB-CD1 4.18Å; L456-L502 HydrophobicContact CB-CD2 4.14Å; E498-L502 WeakPolarHBondContact O-CG 3.29Å; E498-L502 PolarHBondContact O-N 3.27Å; L499-L502 PolarHBondContact O-N 2.77Å; L502-M505 PolarHBondContact O-N 3.33Å; L502-D506 PolarHBondContact O-N 3.29Å; L502-L507 HydrophobicContact CD2-CB 4.31Å; L502-L507 HydrophobicContact CD2-CD1 3.87Å; L502-L507 PolarHBondContact O-N 3.29Å; L502-L507 VanDerWaalsContact O-N 3.1Å; L502-I508 HydrophobicContact CB-CD1 3.61Å; L502-I508 HydrophobicContact CB-CG1 3.75Å; L502-I508 HydrophobicContact CB-CG2 4.46Å; L502-I508 HydrophobicContact CD1-CD1 4.18Å; L502-T550 HydrophobicContact CD2-CG2 4.08Å
503I95.1Very high94.2Very high57 Ų5744.6 Ų44.629%0.29223%0.234SC..Hα-helixtrans-64.1-48.1174.1-65.1167.9000110L499 N500 T501 M505 D506 I508 A510 L529 F534L499-I503 WeakPolarHBondContact O-CG1 3.47Å; L499-I503 PolarHBondContact O-N 2.81Å; L499-I503 VanDerWaalsContact O-N 3.11Å; N500-I503 PolarHBondContact O-N 2.84Å; T501-I503 VanDerWaalsContact C-N 3.32Å; T501-I503 PolarHBondContact O-N 3.13Å; I503-M505 PolarHBondContact O-N 3.26Å; I503-D506 PolarHBondContact O-N 3.13Å; I503-I508 HydrophobicContact CG1-CD1 3.9Å; I503-I508 HydrophobicContact CG1-CG1 3.67Å; I503-A510 HydrophobicContact CD1-CB 4.32Å; I503-L529 HydrophobicContact CD1-CD2 4.11Å; I503-F534 HydrophobicContact CD1-CE1 4.33Å
504K95.2Very high93.7Very high176 Ų17645.5 Ų45.577%0.76524%0.239SC*.Hα-helixtrans-60-29177.5-72.4171.7-176.6175.20113N500 T501 D506N500-K504 VanDerWaalsContact O-CG 3.32Å; N500-K504 WeakPolarHBondContact O-CG 3.14Å; N500-K504 PolarHBondContact O-N 3.34Å; T501-K504 PolarHBondContact O-N 3.4Å; K504-D506 VanDerWaalsContact C-N 3.32Å
505M95.7Very high92.9Very high59 Ų5944.4 Ų44.429%0.29123%0.234SC..THydrogen-bonded Turntrans-85.11.5177.8-65.7172.481.200113.9T501 L502 I503 L507 T550 D551T501-M505 HydrophobicContact CG2-CG 4.48Å; T501-M505 HydrophobicContact CG2-SD 3.88Å; T501-M505 WeakPolarHBondContact O-CG 3.32Å; T501-M505 PolarHBondContact O-N 3.37Å; L502-M505 PolarHBondContact O-N 3.33Å; I503-M505 PolarHBondContact O-N 3.26Å; M505-L507 HydrophobicContact CB-CD1 4.03Å; M505-L507 HydrophobicContact CB-CG 3.95Å; M505-L507 HydrophobicContact CE-CD1 4.21Å; M505-L507 PolarHBondContact O-N 2.95Å; M505-L507 HydrophobicContact SD-CD1 4.39Å; M505-T550 WeakPolarHBondContact CE-O 3.46Å; M505-D551 HydrophobicContact CE-CB 4.35Å; M505-D551 WeakPolarHBondContact CE-OD1 3.25Å
506D95.9Very high92.1Very high100 Ų10049.3 Ų49.354%0.53525%0.253SS..THydrogen-bonded Turntrans56.830.9-175.9-168.337.7000113.3L502 I503 K504 T537L502-D506 PolarHBondContact O-N 3.29Å; I503-D506 PolarHBondContact O-N 3.13Å; K504-D506 VanDerWaalsContact C-N 3.32Å; D506-T537 WeakPolarHBondContact O-CB 3.36Å; D506-T537 WeakPolarHBondContact O-CG2 3.48Å; D506-T537 PolarHBondContact O-OG1 3.27Å
507L97.7Very high91.4Very high1 Ų152.6 Ų52.61%0.00527%0.274CS..SBendtrans-91.8-26.5176.1-63177.6000111.9L456 L502 M505 T537 L539 G540 T550 I553L456-L507 HydrophobicContact CD1-CB 4.14Å; L456-L507 HydrophobicContact CD2-CB 4.34Å; L456-L507 HydrophobicContact CD2-CD1 4.15Å; L502-L507 HydrophobicContact CD2-CB 4.31Å; L502-L507 HydrophobicContact CD2-CD1 3.87Å; L502-L507 PolarHBondContact O-N 3.29Å; L502-L507 VanDerWaalsContact O-N 3.1Å; M505-L507 HydrophobicContact CB-CD1 4.03Å; M505-L507 HydrophobicContact CB-CG 3.95Å; M505-L507 HydrophobicContact CE-CD1 4.21Å; M505-L507 PolarHBondContact O-N 2.95Å; M505-L507 HydrophobicContact SD-CD1 4.39Å; L507-T537 WeakPolarHBondContact CA-OG1 3.36Å; L507-T537 PolarHBondContact O-N 3.46Å; L507-T537 PolarHBondContact O-OG1 2.92Å; L507-L539 HydrophobicContact CD2-CB 4.18Å; L507-L539 HydrophobicContact CD2-CD2 3.7Å; L507-L539 HydrophobicContact CD2-CG 3.65Å; L507-G540 WeakPolarHBondContact O-CA 3.44Å; L507-T550 HydrophobicContact CD1-CG2 4.04Å; L507-I553 HydrophobicContact CD2-CG2 3.71Å
508I96.9Very high90.9Very high2 Ų255 Ų551%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-136.4155.6175.367.7178.4000110.4L456 I459 L499 L502 I503 F534 Q535L456-I508 HydrophobicContact CD1-CG2 3.59Å; I459-I508 HydrophobicContact CD1-CD1 3.92Å; I459-I508 HydrophobicContact CD1-CG2 4.04Å; I459-I508 HydrophobicContact CG2-CG2 4.35Å; L499-I508 HydrophobicContact CD1-CD1 3.45Å; L499-I508 VanDerWaalsContact CD1-CD1 3.45Å; L499-I508 HydrophobicContact CG-CD1 4.19Å; L502-I508 HydrophobicContact CB-CD1 3.61Å; L502-I508 HydrophobicContact CB-CG1 3.75Å; L502-I508 HydrophobicContact CB-CG2 4.46Å; L502-I508 HydrophobicContact CD1-CD1 4.18Å; I503-I508 HydrophobicContact CG1-CD1 3.9Å; I503-I508 HydrophobicContact CG1-CG1 3.67Å; I508-F534 HydrophobicContact CD1-CD1 4.18Å; I508-Q535 CarbonylContact C-O 3.54Å; I508-Q535 VanDerWaalsContact CA-O 3.29Å; I508-Q535 WeakPolarHBondContact CA-O 3.28Å
509V94.1Very high90Very high58 Ų5863.4 Ų63.435%0.35232%0.321SS..EExtended strand (participates in β ladder)trans-119.7140.5170.6-70.90000109.9F534 Q535 T537V509-F534 WeakPolarHBondContact O-CA 3.41Å; V509-Q535 HydrophobicContact CG2-CB 4.01Å; V509-Q535 PolarHBondContact N-O 2.83Å; V509-Q535 PolarHBondContact O-N 3.39Å; V509-T537 HydrophobicContact CG1-CG2 3.82Å
510A91.5Very high88.8Confident20 Ų2066.7 Ų66.717%0.16534%0.341CS..EExtended strand (participates in β ladder)trans-97.2128.917200000109.2I503 I527 A532 F534I503-A510 HydrophobicContact CD1-CB 4.32Å; A510-I527 WeakPolarHBondContact O-CD1 3.26Å; A510-A532 HydrophobicContact CB-CB 4.15Å; A510-F534 HydrophobicContact CB-CD1 4.06Å; A510-F534 HydrophobicContact CB-CE1 3.83Å
511V89.1Confident87Confident32 Ų3272 Ų7219%0.19437%0.369CS..EExtended strand (participates in β ladder)trans-122.2132.9177.2-174.50000107.8I513 A515 A532 R533V511-I513 PolarHBondContact O-N 2.84Å; V511-A515 HydrophobicContact CG1-CB 4.39Å; V511-A532 CarbonylContact O-C 3.54Å; V511-A532 WeakPolarHBondContact O-CA 3.33Å; V511-R533 PolarHBondContact N-O 3.22Å; V511-R533 PolarHBondContact O-N 3.35Å
512S85.9Confident85.2Confident15 Ų1572.4 Ų72.411%0.10537%0.374CS..EExtended strand (participates in β ladder)trans-57.2136.9173.5162.70000110.1D514 A515 Y516S512-D514 PolarHBondContact O-N 3.16Å; S512-D514 PolarHBondContact OG-N 3.02Å; S512-A515 PolarHBondContact O-N 3.42Å; S512-A515 VanDerWaalsContact O-N 3.14Å; S512-Y516 WeakPolarHBondContact O-CB 3.49Å; S512-Y516 PolarHBondContact O-N 3.05Å
513I83.8Confident83.2Confident64 Ų6478.5 Ų78.533%0.32841%0.411SS..Hα-helixtrans-56.2-41.5177.6-69.5164.1000110.7V511 A515 Y516 L517 K531 R533V511-I513 PolarHBondContact O-N 2.84Å; I513-A515 PolarHBondContact O-N 3.17Å; I513-Y516 PolarHBondContact O-N 3.37Å; I513-L517 HydrophobicContact CG2-CD1 3.98Å; I513-L517 HydrophobicContact CG2-CG 4.41Å; I513-L517 WeakPolarHBondContact O-CG 3.44Å; I513-L517 PolarHBondContact O-N 3.13Å; I513-K531 WeakPolarHBondContact CD1-O 3.28Å; I513-K531 VanDerWaalsContact CG1-O 3.25Å; I513-K531 WeakPolarHBondContact CG1-O 3.47Å; I513-K531 PolarHBondContact N-O 3.02Å; I513-R533 HydrophobicContact CG1-CB 4.43Å
514D83.7Confident81.3Confident110 Ų11080.4 Ų80.459%0.58842%0.421SS*.Hα-helixtrans-64.1-43.4178.2-62.3-34.7000111.4S512 Y516 L517 N518S512-D514 PolarHBondContact O-N 3.16Å; S512-D514 PolarHBondContact OG-N 3.02Å; D514-Y516 VanDerWaalsContact C-N 3.32Å; D514-Y516 PolarHBondContact O-N 3.17Å; D514-L517 PolarHBondContact O-N 3.02Å; D514-N518 VanDerWaalsContact O-CB 3.3Å; D514-N518 WeakPolarHBondContact O-CB 3.09Å; D514-N518 VanDerWaalsContact O-CG 3.27Å; D514-N518 PolarHBondContact O-N 2.92Å; D514-N518 PolarHBondContact O-ND2 3.48Å
515A79.8Confident79.7Confident5 Ų581.1 Ų81.14%0.04143%0.427CS..Hα-helixtrans-64.7-39178.200000111.7V511 S512 I513 K519 T520 S522V511-A515 HydrophobicContact CG1-CB 4.39Å; S512-A515 PolarHBondContact O-N 3.42Å; S512-A515 VanDerWaalsContact O-N 3.14Å; I513-A515 PolarHBondContact O-N 3.17Å; A515-K519 PolarHBondContact O-N 3.26Å; A515-K519 VanDerWaalsContact O-N 3.09Å; A515-T520 WeakPolarHBondContact CA-OG1 3.33Å; A515-T520 PolarHBondContact O-N 2.99Å; A515-T520 PolarHBondContact O-OG1 2.62Å; A515-S522 WeakPolarHBondContact CB-OG 3.33Å
516Y79Confident78.3Confident103 Ų10385.8 Ų85.840%0.40445%0.453SS..Hα-helixtrans-64.7-47.3176.2-178.3-98.6000112S512 I513 D514 N518 K519 Q535S512-Y516 WeakPolarHBondContact O-CB 3.49Å; S512-Y516 PolarHBondContact O-N 3.05Å; I513-Y516 PolarHBondContact O-N 3.37Å; D514-Y516 VanDerWaalsContact C-N 3.32Å; D514-Y516 PolarHBondContact O-N 3.17Å; Y516-N518 VanDerWaalsContact C-N 3.35Å; Y516-N518 PolarHBondContact O-N 3.43Å; Y516-K519 PolarHBondContact O-N 2.8Å; Y516-Q535 VanDerWaalsContact CE2-NE2 3.35Å
517L81.7Confident77.3Confident122 Ų12282.6 Ų82.664%0.63944%0.436SS*.Hα-helixtrans-62.9-41.2177.4-72.2172.7000112I513 D514 K519I513-L517 HydrophobicContact CG2-CD1 3.98Å; I513-L517 HydrophobicContact CG2-CG 4.41Å; I513-L517 WeakPolarHBondContact O-CG 3.44Å; I513-L517 PolarHBondContact O-N 3.13Å; D514-L517 PolarHBondContact O-N 3.02Å; L517-K519 PolarHBondContact O-N 3.17Å
518N83.4Confident76.6Confident116 Ų11687.8 Ų87.862%0.6246%0.46SS*.THydrogen-bonded Turntrans-79.7-1.8179.6-67.1-28.4000113.6D514 Y516 T520D514-N518 VanDerWaalsContact O-CB 3.3Å; D514-N518 WeakPolarHBondContact O-CB 3.09Å; D514-N518 VanDerWaalsContact O-CG 3.27Å; D514-N518 PolarHBondContact O-N 2.92Å; D514-N518 PolarHBondContact O-ND2 3.48Å; Y516-N518 VanDerWaalsContact C-N 3.35Å; Y516-N518 PolarHBondContact O-N 3.43Å; N518-T520 HydrophobicContact CB-CG2 4.04Å; N518-T520 PolarHBondContact O-N 3.41Å; N518-T520 VanDerWaalsContact O-N 3.14Å
519K77Confident76.1Confident192 Ų19288.5 Ų88.584%0.83546%0.464SS*.THydrogen-bonded Turntrans51.230.6-172.4-59.8-178.9179.2177.80113.1A515 Y516 L517A515-K519 PolarHBondContact O-N 3.26Å; A515-K519 VanDerWaalsContact O-N 3.09Å; Y516-K519 PolarHBondContact O-N 2.8Å; L517-K519 PolarHBondContact O-N 3.17Å
520T71.3Confident75.7Confident68 Ų6890 Ų9042%0.41747%0.467SS..  trans-93.1122177.6490000109.2A515 N518 S522A515-T520 WeakPolarHBondContact CA-OG1 3.33Å; A515-T520 PolarHBondContact O-N 2.99Å; A515-T520 PolarHBondContact O-OG1 2.62Å; N518-T520 HydrophobicContact CB-CG2 4.04Å; N518-T520 PolarHBondContact O-N 3.41Å; N518-T520 VanDerWaalsContact O-N 3.14Å; T520-S522 PolarHBondContact O-N 2.78Å
521N57.6Low75.5Confident173 Ų17394.8 Ų94.893%0.92548%0.484SS*.  trans-75.167.1174-74.7-15.1000110.7
522S57.5Low75.5Confident48 Ų4893.3 Ų93.334%0.33648%0.475SS..  trans-104.893.9166.253.80000108.3A515 T520 L524A515-S522 WeakPolarHBondContact CB-OG 3.33Å; T520-S522 PolarHBondContact O-N 2.78Å; S522-L524 PolarHBondContact O-N 3.2Å; S522-L524 VanDerWaalsContact O-N 3.13Å
523V56.4Low75.8Confident128 Ų12895.9 Ų95.978%0.77648%0.482SS*.  trans-7199.2162.9-177.40000105.7
524L54.7Low76.4Confident96 Ų9692.9 Ų92.950%0.50347%0.467SS..  trans-82.6129.7174-68.5164.9000107.5S522 N526 I527S522-L524 PolarHBondContact O-N 3.2Å; S522-L524 VanDerWaalsContact O-N 3.13Å; L524-N526 PolarHBondContact O-N 2.71Å; L524-I527 HydrophobicContact CB-CD1 4.18Å; L524-I527 HydrophobicContact CB-CG1 3.64Å; L524-I527 WeakPolarHBondContact O-CD1 3.5Å; L524-I527 WeakPolarHBondContact O-CG1 3.49Å
525E60.3Low76.9Confident191 Ų19191.3 Ų91.389%0.89346%0.456SS*.THydrogen-bonded Turntrans-67.8-20.9-179-69.2-178.9161.800112.8
526N67.7Low77.7Confident157 Ų15791.5 Ų91.584%0.8446%0.457SS*.THydrogen-bonded Turntrans-124.364.5-177.1-67.5-28.9000111.6L524L524-N526 PolarHBondContact O-N 2.71Å
527I74.6Confident78.6Confident34 Ų3487.5 Ų87.517%0.17444%0.444CS..  trans-84.1127.7174.8-60.2161.5000109.1A510 L524 L529 A532A510-I527 WeakPolarHBondContact O-CD1 3.26Å; L524-I527 HydrophobicContact CB-CD1 4.18Å; L524-I527 HydrophobicContact CB-CG1 3.64Å; L524-I527 WeakPolarHBondContact O-CD1 3.5Å; L524-I527 WeakPolarHBondContact O-CG1 3.49Å; I527-L529 PolarHBondContact O-N 3.24Å; I527-A532 HydrophobicContact CG2-CB 3.7Å
528E83.2Confident79.2Confident109 Ų10986.6 Ų86.651%0.50943%0.434SS..  trans-60.1121165.5-69.9176.8-177.700109.3E530 K531 A532E528-E530 PolarHBondContact O-N 2.84Å; E528-E530 VanDerWaalsContact O-N 3.14Å; E528-K531 HydrophobicContact CB-CB 4.47Å; E528-K531 CarbonylContact O-C 3.54Å; E528-K531 PolarHBondContact O-N 3.36Å; E528-K531 IonicContact OE1-NZ 2.68Å; E528-K531 VanDerWaalsContact OE2-CD 3.28Å; E528-K531 WeakPolarHBondContact OE2-CD 3.43Å; E528-K531 WeakPolarHBondContact OE2-CE 3.41Å; E528-K531 IonicContact OE2-NZ 2.9Å; E528-K531 PolarHBondContact OE2-NZ 2.82Å; E528-A532 PolarHBondContact O-N 3.45Å
529L85.1Confident79.8Confident18 Ų1882.3 Ų82.39%0.09441%0.411CS..G310 helixtrans-57.1-34.2-174.6-66.4174.2000111.9Y467 R496 L499 I503 I527 K531 A532 F534Y467-L529 WeakPolarHBondContact CB-O 3.43Å; Y467-L529 HydrophobicContact CD2-CB 4.28Å; R496-L529 HydrophobicContact CG-CD1 3.61Å; L499-L529 HydrophobicContact CD2-CD2 4.39Å; I503-L529 HydrophobicContact CD1-CD2 4.11Å; I527-L529 PolarHBondContact O-N 3.24Å; L529-K531 PolarHBondContact O-N 3.48Å; L529-A532 WeakPolarHBondContact O-CB 3.41Å; L529-A532 PolarHBondContact O-N 3.02Å; L529-A532 VanDerWaalsContact O-N 3.14Å; L529-F534 HydrophobicContact CB-CZ 4.32Å; L529-F534 HydrophobicContact CD2-CE1 3.88Å; L529-F534 HydrophobicContact CD2-CZ 3.86Å
530E86.5Confident80.8Confident88 Ų8873.1 Ų73.141%0.41137%0.372SS..G310 helixtrans-63.3-26.9177.7-63.384.5174.700113.3Y467 R496 E528Y467-E530 HydrophobicContact CD1-CG 4.17Å; Y467-E530 HydrophobicContact CE1-CG 4.48Å; R496-E530 IonicContact CZ-OE1 3.67Å; R496-E530 IonicContact NH1-OE1 3.35Å; R496-E530 PolarHBondContact NH1-OE1 2.88Å; R496-E530 IonicContact NH1-OE2 3.46Å; R496-E530 IonicContact NH2-OE1 2.93Å; R496-E530 PolarHBondContact NH2-OE1 2.86Å; E528-E530 PolarHBondContact O-N 2.84Å; E528-E530 VanDerWaalsContact O-N 3.14Å
531K86.8Confident82Confident122 Ų12273.8 Ų73.853%0.5337%0.366SS..G310 helixtrans-10612.8178.8-62.3179.1-174.6149.80112.2I513 E528 L529I513-K531 WeakPolarHBondContact CD1-O 3.28Å; I513-K531 VanDerWaalsContact CG1-O 3.25Å; I513-K531 WeakPolarHBondContact CG1-O 3.47Å; I513-K531 PolarHBondContact N-O 3.02Å; E528-K531 HydrophobicContact CB-CB 4.47Å; E528-K531 CarbonylContact O-C 3.54Å; E528-K531 PolarHBondContact O-N 3.36Å; E528-K531 IonicContact OE1-NZ 2.68Å; E528-K531 VanDerWaalsContact OE2-CD 3.28Å; E528-K531 WeakPolarHBondContact OE2-CD 3.43Å; E528-K531 WeakPolarHBondContact OE2-CE 3.41Å; E528-K531 IonicContact OE2-NZ 2.9Å; E528-K531 PolarHBondContact OE2-NZ 2.82Å; L529-K531 PolarHBondContact O-N 3.48Å
532A89.5Confident83.8Confident0 Ų065.5 Ų65.50%032%0.322CS..EExtended strand (participates in β ladder)trans-98.3146.3178.400000111.8A510 V511 I527 E528 L529 F534A510-A532 HydrophobicContact CB-CB 4.15Å; V511-A532 CarbonylContact O-C 3.54Å; V511-A532 WeakPolarHBondContact O-CA 3.33Å; I527-A532 HydrophobicContact CG2-CB 3.7Å; E528-A532 PolarHBondContact O-N 3.45Å; L529-A532 WeakPolarHBondContact O-CB 3.41Å; L529-A532 PolarHBondContact O-N 3.02Å; L529-A532 VanDerWaalsContact O-N 3.14Å; A532-F534 HydrophobicContact CB-CE1 4.22Å; A532-F534 HydrophobicContact CB-CE2 4.12Å; A532-F534 HydrophobicContact CB-CZ 3.76Å
533R92.8Very high85.6Confident70 Ų7063.3 Ų63.326%0.26431%0.307SS..EExtended strand (participates in β ladder)trans-103130.8159.3-171.9-178.9178.494.41.5108.5T465 V511 I513T465-R533 CarbonylContact O-C 3.57Å; T465-R533 WeakPolarHBondContact O-CA 3.26Å; T465-R533 WeakPolarHBondContact O-CG 3.31Å; T465-R533 VanDerWaalsContact OG1-CZ 3.3Å; T465-R533 PolarHBondContact OG1-NH1 3.36Å; T465-R533 PolarHBondContact OG1-NH2 3.42Å; V511-R533 PolarHBondContact N-O 3.22Å; V511-R533 PolarHBondContact O-N 3.35Å; I513-R533 HydrophobicContact CG1-CB 4.43Å
534F95.4Very high87.5Confident1 Ų157.6 Ų57.60%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-97.2141.8-179.5-56.6-84.2000111I459 T465 I470 L499 I503 I508 V509 A510 L529 A532I459-F534 HydrophobicContact CD1-CB 3.81Å; I459-F534 HydrophobicContact CD1-CG 4.35Å; I459-F534 HydrophobicContact CG1-CB 4.15Å; I459-F534 HydrophobicContact CG2-CB 4.09Å; T465-F534 PolarHBondContact O-N 2.95Å; I470-F534 HydrophobicContact CD1-CD2 3.54Å; I470-F534 HydrophobicContact CD1-CE2 4.08Å; I470-F534 HydrophobicContact CD1-CG 4.16Å; L499-F534 HydrophobicContact CD1-CD1 4.18Å; L499-F534 HydrophobicContact CD1-CE1 4.22Å; L499-F534 HydrophobicContact CD1-CG 4.49Å; L499-F534 HydrophobicContact CD2-CD1 4.4Å; L499-F534 HydrophobicContact CD2-CE1 3.68Å; L499-F534 HydrophobicContact CD2-CE2 3.99Å; L499-F534 HydrophobicContact CD2-CZ 3.46Å; L499-F534 VanDerWaalsContact CD2-CZ 3.46Å; L499-F534 HydrophobicContact CG-CD1 4.45Å; L499-F534 HydrophobicContact CG-CE1 4.02Å; L499-F534 HydrophobicContact CG-CZ 4.3Å; I503-F534 HydrophobicContact CD1-CE1 4.33Å; I508-F534 HydrophobicContact CD1-CD1 4.18Å; V509-F534 WeakPolarHBondContact O-CA 3.41Å; A510-F534 HydrophobicContact CB-CD1 4.06Å; A510-F534 HydrophobicContact CB-CE1 3.83Å; L529-F534 HydrophobicContact CB-CZ 4.32Å; L529-F534 HydrophobicContact CD2-CE1 3.88Å; L529-F534 HydrophobicContact CD2-CZ 3.86Å; A532-F534 HydrophobicContact CB-CE1 4.22Å; A532-F534 HydrophobicContact CB-CE2 4.12Å; A532-F534 HydrophobicContact CB-CZ 3.76Å
535Q95.1Very high89.3Confident77 Ų7755 Ų5536%0.3626%0.257SS..EExtended strand (participates in β ladder)trans-133.8139.5173-60178.618.800109.3I508 V509 Y516I508-Q535 CarbonylContact C-O 3.54Å; I508-Q535 VanDerWaalsContact CA-O 3.29Å; I508-Q535 WeakPolarHBondContact CA-O 3.28Å; V509-Q535 HydrophobicContact CG2-CB 4.01Å; V509-Q535 PolarHBondContact N-O 2.83Å; V509-Q535 PolarHBondContact O-N 3.39Å; Y516-Q535 VanDerWaalsContact CE2-NE2 3.35Å
536A96.6Very high90.8Very high8 Ų845.9 Ų45.97%0.06622%0.215CC..EExtended strand (participates in β ladder)trans-73134.117400000110.1L456 I459 R541L456-A536 HydrophobicContact CD1-CB 4.38Å; I459-A536 HydrophobicContact CG2-CB 4.29Å; A536-R541 HydrophobicContact CB-CG 3.68Å; A536-R541 PolarHBondContact O-NH1 3.07Å
537T96.5Very high91.8Very high20 Ų2039.8 Ų39.812%0.12319%0.188CC..  trans-68.3172.8171.867.20000110.2D506 L507 V509 L539 G540 R541D506-T537 WeakPolarHBondContact O-CB 3.36Å; D506-T537 WeakPolarHBondContact O-CG2 3.48Å; D506-T537 PolarHBondContact O-OG1 3.27Å; L507-T537 WeakPolarHBondContact CA-OG1 3.36Å; L507-T537 PolarHBondContact O-N 3.46Å; L507-T537 PolarHBondContact O-OG1 2.92Å; V509-T537 HydrophobicContact CG1-CG2 3.82Å; T537-L539 PolarHBondContact O-N 3.35Å; T537-L539 PolarHBondContact OG1-N 3.34Å; T537-G540 PolarHBondContact O-N 3.22Å; T537-G540 PolarHBondContact OG1-N 3.46Å; T537-R541 WeakPolarHBondContact O-CG 3.3Å; T537-R541 PolarHBondContact O-N 3.19Å
538K95.6Very high92.7Very high102 Ų10238.6 Ų38.644%0.44318%0.183SC..Hα-helixtrans-55.5-40.5171-71.7-174.1177-170.60111.5A542 F695K538-A542 VanDerWaalsContact O-CB 3.27Å; K538-A542 WeakPolarHBondContact O-CB 3.36Å; K538-A542 PolarHBondContact O-N 3.38Å; K538-F695 HydrophobicContact CB-CE1 4.27Å; K538-F695 HydrophobicContact CB-CZ 4.18Å
539L96.5Very high93.1Very high26 Ų2634.4 Ų34.414%0.13616%0.163CC..Hα-helixtrans-66.4-43.4177.2-170.968.2000111.5L507 T537 A542 S543 I553 V557L507-L539 HydrophobicContact CD2-CB 4.18Å; L507-L539 HydrophobicContact CD2-CD2 3.7Å; L507-L539 HydrophobicContact CD2-CG 3.65Å; T537-L539 PolarHBondContact O-N 3.35Å; T537-L539 PolarHBondContact OG1-N 3.34Å; L539-A542 PolarHBondContact O-N 3.33Å; L539-S543 PolarHBondContact O-N 3.19Å; L539-I553 HydrophobicContact CD1-CG1 3.81Å; L539-I553 HydrophobicContact CD1-CG2 4.48Å; L539-I553 HydrophobicContact CG-CG1 4.34Å; L539-I553 HydrophobicContact CG-CG2 4.29Å; L539-V557 HydrophobicContact CD1-CB 3.94Å; L539-V557 HydrophobicContact CD1-CG1 4.25Å; L539-V557 HydrophobicContact CD1-CG2 3.69Å
540G97.3Very high93.5Very high0 Ų033.6 Ų33.60%016%0.159CC..Hα-helixtrans-60.3-48.5174.600000113.2L507 T537 A542 S543 V544L507-G540 WeakPolarHBondContact O-CA 3.44Å; T537-G540 PolarHBondContact O-N 3.22Å; T537-G540 PolarHBondContact OG1-N 3.46Å; G540-A542 VanDerWaalsContact C-N 3.31Å; G540-A542 PolarHBondContact O-N 3.35Å; G540-S543 WeakPolarHBondContact O-CB 3.5Å; G540-S543 PolarHBondContact O-N 2.76Å; G540-V544 WeakPolarHBondContact O-CG2 3.28Å; G540-V544 PolarHBondContact O-N 3.32Å; G540-V544 VanDerWaalsContact O-N 3.09Å
541R96.5Very high93.8Very high81 Ų8132 Ų3231%0.30615%0.154SC..Hα-helixtrans-62.8-38.2176.6-69.9-166.6-56.8-94.73.1112.2A536 T537 S543 V544 K545 E694A536-R541 HydrophobicContact CB-CG 3.68Å; A536-R541 PolarHBondContact O-NH1 3.07Å; T537-R541 WeakPolarHBondContact O-CG 3.3Å; T537-R541 PolarHBondContact O-N 3.19Å; R541-S543 VanDerWaalsContact C-N 3.32Å; R541-S543 PolarHBondContact O-N 3.17Å; R541-V544 PolarHBondContact O-N 3.24Å; R541-K545 WeakPolarHBondContact O-CB 3.43Å; R541-K545 WeakPolarHBondContact O-CG 3.37Å; R541-K545 PolarHBondContact O-N 3.47Å; R541-E694 HydrophobicContact CB-CG 3.92Å; R541-E694 IonicContact CZ-OE2 3.94Å; R541-E694 VanDerWaalsContact CZ-OE2 3.24Å; R541-E694 IonicContact NE-OE1 2.58Å; R541-E694 PolarHBondContact NE-OE1 2.87Å; R541-E694 IonicContact NE-OE2 3.11Å; R541-E694 PolarHBondContact NE-OE2 3.07Å; R541-E694 IonicContact NH2-OE2 3.24Å; R541-E694 PolarHBondContact NH2-OE2 2.9Å
542A95.6Very high94Very high0 Ų030 Ų300%014%0.143CC..Hα-helixtrans-62.5-38.8175.700000112K538 L539 G540 G546 A690 E694 F695K538-A542 VanDerWaalsContact O-CB 3.27Å; K538-A542 WeakPolarHBondContact O-CB 3.36Å; K538-A542 PolarHBondContact O-N 3.38Å; L539-A542 PolarHBondContact O-N 3.33Å; G540-A542 VanDerWaalsContact C-N 3.31Å; G540-A542 PolarHBondContact O-N 3.35Å; A542-G546 PolarHBondContact O-N 3.25Å; A542-A690 HydrophobicContact CB-CB 4.14Å; A542-A690 WeakPolarHBondContact O-CB 3.22Å; A542-E694 HydrophobicContact CB-CB 4.19Å; A542-E694 HydrophobicContact CB-CG 4.07Å; A542-F695 HydrophobicContact CB-CD2 4.36Å; A542-F695 HydrophobicContact CB-CE2 3.66Å
543S95.8Very high94.3Very high1 Ų130.1 Ų30.11%0.00714%0.143CC..Hα-helixtrans-61.3-47.8172.21640000112L456 L539 G540 R541 G547 I548L456-S543 WeakPolarHBondContact CD2-OG 3.35Å; L539-S543 PolarHBondContact O-N 3.19Å; G540-S543 WeakPolarHBondContact O-CB 3.5Å; G540-S543 PolarHBondContact O-N 2.76Å; R541-S543 VanDerWaalsContact C-N 3.32Å; R541-S543 PolarHBondContact O-N 3.17Å; S543-G547 WeakPolarHBondContact O-CA 3.33Å; S543-G547 PolarHBondContact O-N 3.31Å; S543-I548 WeakPolarHBondContact CB-O 3.5Å; S543-I548 PolarHBondContact O-N 3.2Å; S543-I548 PolarHBondContact OG-O 2.92Å
544V95.7Very high94.4Very high9 Ų928 Ų286%0.05514%0.143CC..Hα-helixtrans-63.8-47.2-179.7175.90000112N74 L456 L461 G540 R541 G547N74-V544 PolarHBondContact ND2-O 2.83Å; N74-V544 VanDerWaalsContact ND2-O 3.15Å; L456-V544 HydrophobicContact CD2-CG2 4.31Å; L456-V544 HydrophobicContact CG-CG2 3.78Å; L461-V544 HydrophobicContact CD1-CG1 4.41Å; L461-V544 HydrophobicContact CD2-CG1 3.85Å; L461-V544 HydrophobicContact CG-CG1 3.82Å; G540-V544 WeakPolarHBondContact O-CG2 3.28Å; G540-V544 PolarHBondContact O-N 3.32Å; G540-V544 VanDerWaalsContact O-N 3.09Å; R541-V544 PolarHBondContact O-N 3.24Å; V544-G547 PolarHBondContact O-N 2.88Å
545K92.2Very high94.4Very high40 Ų4031.7 Ų31.717%0.17417%0.167CC..Hα-helixtrans-67.4-48.5-179.7-71.3-178.4176.6173.30111.1D78 R541 G547 Y689 S693 E694D78-K545 WeakPolarHBondContact OD2-CE 3.44Å; R541-K545 WeakPolarHBondContact O-CB 3.43Å; R541-K545 WeakPolarHBondContact O-CG 3.37Å; R541-K545 PolarHBondContact O-N 3.47Å; K545-G547 PolarHBondContact O-N 2.92Å; K545-Y689 HydrophobicContact CB-CD1 4.17Å; K545-Y689 HydrophobicContact CB-CE1 3.77Å; K545-Y689 WeakPolarHBondContact O-CD1 3.44Å; K545-Y689 WeakPolarHBondContact O-CE1 3.4Å; K545-S693 WeakPolarHBondContact CD-OG 3.45Å; K545-E694 WeakPolarHBondContact CE-OE1 3.49Å; K545-E694 IonicContact NZ-OE1 2.81Å; K545-E694 PolarHBondContact NZ-OE1 2.83Å
546G91.2Very high94.3Very high1 Ų128.6 Ų28.61%0.0115%0.153CC..Hα-helixtrans-70.2-14.8178.800000115A542 I548 S686A542-G546 PolarHBondContact O-N 3.25Å; G546-I548 PolarHBondContact O-N 2.98Å; G546-S686 WeakPolarHBondContact O-CB 3.01Å; G546-S686 PolarHBondContact O-OG 3.36Å
547G90.1Very high94.2Very high28 Ų2828.3 Ų28.329%0.28915%0.15SC..THydrogen-bonded Turntrans6330.5-16900000112.2S543 V544 K545S543-G547 WeakPolarHBondContact O-CA 3.33Å; S543-G547 PolarHBondContact O-N 3.31Å; V544-G547 PolarHBondContact O-N 2.88Å; K545-G547 PolarHBondContact O-N 2.92Å
548I91.9Very high94.1Very high10 Ų1030.2 Ų30.25%0.05117%0.165CC..  trans-93.7134.6-177.5-59.6171.7000108.6Q453 S543 G546 R552 I553 L556 L687 A690Q453-I548 PolarHBondContact NE2-O 3.01Å; S543-I548 WeakPolarHBondContact CB-O 3.5Å; S543-I548 PolarHBondContact O-N 3.2Å; S543-I548 PolarHBondContact OG-O 2.92Å; G546-I548 PolarHBondContact O-N 2.98Å; I548-R552 HydrophobicContact CG2-CB 4.39Å; I548-I553 HydrophobicContact CB-CD1 4.1Å; I548-I553 HydrophobicContact CD1-CD1 3.78Å; I548-I553 HydrophobicContact CG2-CB 3.96Å; I548-I553 HydrophobicContact CG2-CD1 3.98Å; I548-L556 HydrophobicContact CG2-CD1 4.12Å; I548-L687 HydrophobicContact CD1-CD2 3.61Å; I548-L687 HydrophobicContact CD1-CG 3.92Å; I548-A690 HydrophobicContact CD1-CB 4.09Å
549D91.5Very high94Very high20 Ų2027.9 Ų27.911%0.10716%0.157CC..  trans-51.8140.4177.2-176.7-88.2000114K449 D551 R552 I553K449-D549 WeakPolarHBondContact CD-OD2 3.23Å; K449-D549 WeakPolarHBondContact CE-OD1 3.41Å; K449-D549 WeakPolarHBondContact CE-OD2 3.33Å; K449-D549 IonicContact NZ-OD1 3.17Å; K449-D549 PolarHBondContact NZ-OD1 3.21Å; K449-D549 IonicContact NZ-OD2 3.69Å; K449-D549 PolarHBondContact NZ-OD2 3.42Å; D549-D551 PolarHBondContact O-N 3.2Å; D549-D551 WeakPolarHBondContact OD1-CA 3.34Å; D549-D551 WeakPolarHBondContact OD1-CB 3.26Å; D549-D551 PolarHBondContact OD1-N 2.8Å; D549-R552 HydrophobicContact CB-CB 4.11Å; D549-R552 HydrophobicContact CB-CG 4.01Å; D549-R552 PolarHBondContact O-N 2.98Å; D549-R552 VanDerWaalsContact O-N 3.13Å; D549-R552 PolarHBondContact OD1-N 3.49Å; D549-I553 PolarHBondContact O-N 2.72Å
550T94.3Very high93.9Very high2 Ų226.7 Ų26.71%0.01215%0.151CC..Hα-helixtrans-57.5-35.6-177.351.50000112.6R452 Q453 L456 L502 M505 L507R452-T550 HydrophobicContact CB-CG2 4.33Å; Q453-T550 HydrophobicContact CB-CG2 4.08Å; Q453-T550 HydrophobicContact CG-CG2 4.36Å; L456-T550 HydrophobicContact CD2-CG2 3.79Å; L502-T550 HydrophobicContact CD2-CG2 4.08Å; M505-T550 WeakPolarHBondContact CE-O 3.46Å; L507-T550 HydrophobicContact CD1-CG2 4.04Å
551D92.8Very high93.7Very high55 Ų5531.4 Ų31.429%0.29417%0.169SC..Hα-helixtrans-85.6-18.9-173.9-52.4-1.5000110.8K449 R452 M505 D549 P555K449-D551 VanDerWaalsContact CE-CG 3.49Å; K449-D551 WeakPolarHBondContact CE-OD2 3.03Å; R452-D551 IonicContact CZ-OD1 3.64Å; R452-D551 IonicContact NE-OD1 2.79Å; R452-D551 PolarHBondContact NE-OD1 2.89Å; R452-D551 IonicContact NH2-OD1 3.64Å; R452-D551 PolarHBondContact NH2-OD1 2.81Å; R452-D551 IonicContact NH2-OD2 3.64Å; R452-D551 PolarHBondContact NH2-OD2 3.24Å; M505-D551 HydrophobicContact CE-CB 4.35Å; M505-D551 WeakPolarHBondContact CE-OD1 3.25Å; D549-D551 PolarHBondContact O-N 3.2Å; D549-D551 WeakPolarHBondContact OD1-CA 3.34Å; D549-D551 WeakPolarHBondContact OD1-CB 3.26Å; D549-D551 PolarHBondContact OD1-N 2.8Å; D551-P555 WeakPolarHBondContact O-CD 3.47Å
552R92Very high93.5Very high80 Ų8031.1 Ų31.130%0.30218%0.176SC..Hα-helixtrans-95-32.8-178.7-62.2-175.9179.4-165.3-3.8113.5I548 D549 G554 P555 L556 D583I548-R552 HydrophobicContact CG2-CB 4.39Å; D549-R552 HydrophobicContact CB-CB 4.11Å; D549-R552 HydrophobicContact CB-CG 4.01Å; D549-R552 PolarHBondContact O-N 2.98Å; D549-R552 VanDerWaalsContact O-N 3.13Å; D549-R552 PolarHBondContact OD1-N 3.49Å; R552-G554 PolarHBondContact O-N 3.48Å; R552-P555 WeakPolarHBondContact O-CD 3.27Å; R552-L556 HydrophobicContact CB-CD1 4.16Å; R552-L556 WeakPolarHBondContact O-CB 3.47Å; R552-L556 WeakPolarHBondContact O-CD1 2.99Å; R552-L556 VanDerWaalsContact O-CG 3.23Å; R552-L556 WeakPolarHBondContact O-CG 3.46Å; R552-L556 PolarHBondContact O-N 2.98Å; R552-D583 IonicContact CZ-OD1 2.6Å; R552-D583 IonicContact CZ-OD2 3.58Å; R552-D583 IonicContact NH1-OD1 3.14Å; R552-D583 IonicContact NH1-OD2 3.64Å; R552-D583 PolarHBondContact NH1-OD2 3.27Å; R552-D583 IonicContact NH2-OD1 3.41Å; R552-D583 PolarHBondContact NH2-OD1 3.38Å; R552-D583 IonicContact NH2-OD2 3.47Å; R552-D583 PolarHBondContact NH2-OD2 3.27Å
553I95Very high93.2Very high1 Ų131.1 Ų31.11%0.00518%0.176CC..Hα-helixtrans-60.6-43-171.8-171.361.1000113L507 L539 I548 D549 L556 V557L507-I553 HydrophobicContact CD2-CG2 3.71Å; L539-I553 HydrophobicContact CD1-CG1 3.81Å; L539-I553 HydrophobicContact CD1-CG2 4.48Å; L539-I553 HydrophobicContact CG-CG1 4.34Å; L539-I553 HydrophobicContact CG-CG2 4.29Å; I548-I553 HydrophobicContact CB-CD1 4.1Å; I548-I553 HydrophobicContact CD1-CD1 3.78Å; I548-I553 HydrophobicContact CG2-CB 3.96Å; I548-I553 HydrophobicContact CG2-CD1 3.98Å; D549-I553 PolarHBondContact O-N 2.72Å; I553-L556 PolarHBondContact O-N 3.25Å; I553-V557 HydrophobicContact CD1-CG2 4.04Å; I553-V557 HydrophobicContact CG1-CG2 4.35Å; I553-V557 WeakPolarHBondContact O-CG2 3.43Å; I553-V557 PolarHBondContact O-N 2.84Å
554G95.3Very high93Very high25 Ų2532.6 Ų32.626%0.25819%0.188SC..Hα-helixtrans-61.4-57.2-179.600000112.5R552 L556 V557 S558R552-G554 PolarHBondContact O-N 3.48Å; G554-L556 VanDerWaalsContact C-N 3.31Å; G554-L556 PolarHBondContact O-N 2.89Å; G554-V557 PolarHBondContact O-N 3.31Å; G554-S558 WeakPolarHBondContact O-CB 3.35Å; G554-S558 PolarHBondContact O-N 3.49Å
555P94.1Very high92.6Very high79 Ų7941.5 Ų41.551%0.51322%0.221SC..Hα-helixtrans-55.3-42.1174.8-28.435.5000113.6D551 R552 S558 D559D551-P555 WeakPolarHBondContact O-CD 3.47Å; R552-P555 WeakPolarHBondContact O-CD 3.27Å; P555-S558 WeakPolarHBondContact O-CB 3.29Å; P555-S558 PolarHBondContact O-N 2.83Å; P555-D559 PolarHBondContact O-N 3.36Å
556L94.4Very high92.3Very high12 Ų1242.4 Ų42.46%0.06324%0.235CC..Hα-helixtrans-62.2-49.6178.4-73.4169.2000111.7I548 R552 I553 G554 S558 D559 F560 L683 L687I548-L556 HydrophobicContact CG2-CD1 4.12Å; R552-L556 HydrophobicContact CB-CD1 4.16Å; R552-L556 WeakPolarHBondContact O-CB 3.47Å; R552-L556 WeakPolarHBondContact O-CD1 2.99Å; R552-L556 VanDerWaalsContact O-CG 3.23Å; R552-L556 WeakPolarHBondContact O-CG 3.46Å; R552-L556 PolarHBondContact O-N 2.98Å; I553-L556 PolarHBondContact O-N 3.25Å; G554-L556 VanDerWaalsContact C-N 3.31Å; G554-L556 PolarHBondContact O-N 2.89Å; L556-S558 VanDerWaalsContact C-N 3.28Å; L556-S558 PolarHBondContact O-N 3.49Å; L556-D559 WeakPolarHBondContact O-CB 3.15Å; L556-D559 PolarHBondContact O-N 2.92Å; L556-D559 VanDerWaalsContact O-N 3.17Å; L556-F560 VanDerWaalsContact O-CD2 3.24Å; L556-F560 WeakPolarHBondContact O-CD2 3.43Å; L556-F560 PolarHBondContact O-N 3.04Å; L556-F560 VanDerWaalsContact O-N 3.09Å; L556-L683 HydrophobicContact CD1-CD1 4.27Å; L556-L687 HydrophobicContact CB-CD2 4.32Å; L556-L687 HydrophobicContact CD1-CD2 4.31Å
557V94.8Very high92Very high2 Ų244.8 Ų44.81%0.01225%0.25CC..Hα-helixtrans-63.3-37.3178.4172.30000111.2L539 I553 G554 F560 R561 L691 L701L539-V557 HydrophobicContact CD1-CB 3.94Å; L539-V557 HydrophobicContact CD1-CG1 4.25Å; L539-V557 HydrophobicContact CD1-CG2 3.69Å; I553-V557 HydrophobicContact CD1-CG2 4.04Å; I553-V557 HydrophobicContact CG1-CG2 4.35Å; I553-V557 WeakPolarHBondContact O-CG2 3.43Å; I553-V557 PolarHBondContact O-N 2.84Å; G554-V557 PolarHBondContact O-N 3.31Å; V557-F560 PolarHBondContact O-N 3.25Å; V557-R561 PolarHBondContact O-N 3.42Å; V557-L691 HydrophobicContact CG2-CD2 4.49Å; V557-L701 HydrophobicContact CG1-CD1 3.75Å
558S94Very high91.9Very high60 Ų6044.4 Ų44.442%0.4224%0.241SC..Hα-helixtrans-60.2-44.9173.2-176.20000112G554 P555 L556 F560 R561 V562G554-S558 WeakPolarHBondContact O-CB 3.35Å; G554-S558 PolarHBondContact O-N 3.49Å; P555-S558 WeakPolarHBondContact O-CB 3.29Å; P555-S558 PolarHBondContact O-N 2.83Å; L556-S558 VanDerWaalsContact C-N 3.28Å; L556-S558 PolarHBondContact O-N 3.49Å; S558-F560 VanDerWaalsContact C-N 3.29Å; S558-F560 PolarHBondContact O-N 2.92Å; S558-R561 PolarHBondContact O-N 2.76Å; S558-R561 VanDerWaalsContact O-N 3.16Å; S558-V562 WeakPolarHBondContact O-CG2 3.21Å; S558-V562 PolarHBondContact O-N 3.3Å
559D92.7Very high91.5Very high54 Ų5449.4 Ų49.429%0.28927%0.272SS..Hα-helixtrans-59.3-41.3176-72.2-14.5000111.5P555 L556 V562 A563 L578 R640P555-D559 PolarHBondContact O-N 3.36Å; L556-D559 WeakPolarHBondContact O-CB 3.15Å; L556-D559 PolarHBondContact O-N 2.92Å; L556-D559 VanDerWaalsContact O-N 3.17Å; D559-V562 PolarHBondContact O-N 2.95Å; D559-A563 VanDerWaalsContact O-CB 3.32Å; D559-A563 WeakPolarHBondContact O-CB 3.39Å; D559-A563 PolarHBondContact O-N 3.4Å; D559-L578 HydrophobicContact CB-CD2 3.97Å; D559-R640 IonicContact OD2-CZ 3.77Å; D559-R640 VanDerWaalsContact OD2-CZ 3.29Å; D559-R640 IonicContact OD2-NH1 3.6Å; D559-R640 PolarHBondContact OD2-NH1 3.43Å; D559-R640 IonicContact OD2-NH2 2.99Å; D559-R640 PolarHBondContact OD2-NH2 2.93Å
560F94.3Very high91.1Very high0 Ų051.9 Ų51.90%029%0.291CS..Hα-helixtrans-64.9-38.5175.3-83.3-81.3000112.6L556 V557 S558 A563 A564 L578 I579 L687 L691 L701 F704 L708L556-F560 VanDerWaalsContact O-CD2 3.24Å; L556-F560 WeakPolarHBondContact O-CD2 3.43Å; L556-F560 PolarHBondContact O-N 3.04Å; L556-F560 VanDerWaalsContact O-N 3.09Å; V557-F560 PolarHBondContact O-N 3.25Å; S558-F560 VanDerWaalsContact C-N 3.29Å; S558-F560 PolarHBondContact O-N 2.92Å; F560-A563 CarbonylContact O-C 3.22Å; F560-A563 PolarHBondContact O-N 2.87Å; F560-A564 WeakPolarHBondContact O-CB 3.43Å; F560-A564 PolarHBondContact O-N 3.03Å; F560-L578 HydrophobicContact CD1-CD1 3.87Å; F560-L578 HydrophobicContact CE1-CB 4.23Å; F560-L578 HydrophobicContact CE1-CD1 3.76Å; F560-L578 HydrophobicContact CE2-CB 4.38Å; F560-L578 HydrophobicContact CZ-CB 3.96Å; F560-L578 HydrophobicContact CZ-CD1 4.33Å; F560-I579 HydrophobicContact CZ-CG2 4.34Å; F560-L687 HydrophobicContact CE2-CD1 3.83Å; F560-L687 HydrophobicContact CE2-CD2 4.23Å; F560-L687 HydrophobicContact CZ-CD1 4.2Å; F560-L691 HydrophobicContact CD1-CD1 4.45Å; F560-L691 HydrophobicContact CG-CD1 4.47Å; F560-L701 HydrophobicContact CB-CD2 3.7Å; F560-F704 HydrophobicContact CB-CD2 4.37Å; F560-F704 HydrophobicContact CB-CE2 4.44Å; F560-F704 HydrophobicContact CD1-CB 4.1Å; F560-F704 AromaticContact CD1-CD1 3.64Å; F560-F704 HydrophobicContact CD1-CD1 3.64Å; F560-F704 AromaticContact CD1-CD2 3.77Å; F560-F704 HydrophobicContact CD1-CD2 3.77Å; F560-F704 AromaticContact CD1-CE1 3.92Å; F560-F704 HydrophobicContact CD1-CE1 3.92Å; F560-F704 HydrophobicContact CD1-CE2 4.03Å; F560-F704 AromaticContact CD1-CG 3.56Å; F560-F704 HydrophobicContact CD1-CG 3.56Å; F560-F704 HydrophobicContact CD1-CZ 4.11Å; F560-F704 HydrophobicContact CE1-CB 4.34Å; F560-F704 AromaticContact CE1-CD1 3.79Å; F560-F704 HydrophobicContact CE1-CD1 3.79Å; F560-F704 HydrophobicContact CE1-CE1 4.23Å; F560-F704 HydrophobicContact CE1-CG 4.03Å; F560-F704 WeakPolarHBondContact O-CE2 3.33Å; F560-L708 HydrophobicContact CE1-CD1 3.93Å; F560-L708 HydrophobicContact CE1-CD2 4.23Å; F560-L708 HydrophobicContact CE1-CG 4.43Å; F560-L708 HydrophobicContact CZ-CD1 3.85Å; F560-L708 HydrophobicContact CZ-CD2 4.35Å
561R93.8Very high90.6Very high99 Ų9952.9 Ų52.937%0.37430%0.302SS..Hα-helixtrans-65.2-41.8174.8-71.8-174.2-179.9141-1.9112.2V557 S558 A563 A564 E700 L701V557-R561 PolarHBondContact O-N 3.42Å; S558-R561 PolarHBondContact O-N 2.76Å; S558-R561 VanDerWaalsContact O-N 3.16Å; R561-A563 VanDerWaalsContact C-N 3.33Å; R561-A564 WeakPolarHBondContact O-CB 3.31Å; R561-A564 PolarHBondContact O-N 3.28Å; R561-E700 WeakPolarHBondContact CD-OE2 3.22Å; R561-E700 WeakPolarHBondContact CG-OE2 3.29Å; R561-L701 HydrophobicContact CG-CD1 4.19Å; R561-L701 HydrophobicContact CG-CD2 3.86Å; R561-L701 HydrophobicContact CG-CG 4.14Å
562V91.5Very high90.4Very high75 Ų7551.3 Ų51.346%0.45530%0.295SS..Hα-helixtrans-61.5-45.6174173.80000110S558 D559 A564 R565S558-V562 WeakPolarHBondContact O-CG2 3.21Å; S558-V562 PolarHBondContact O-N 3.3Å; D559-V562 PolarHBondContact O-N 2.95Å; V562-A564 VanDerWaalsContact C-N 3.34Å; V562-A564 PolarHBondContact O-N 2.95Å; V562-R565 PolarHBondContact O-N 3.04Å
563A90.9Very high90.4Very high1 Ų147.7 Ų47.71%0.00828%0.281CS..Hα-helixtrans-65.7-32.8177.700000113.3D559 F560 R561 R565 A566 V567 L578 F704D559-A563 VanDerWaalsContact O-CB 3.32Å; D559-A563 WeakPolarHBondContact O-CB 3.39Å; D559-A563 PolarHBondContact O-N 3.4Å; F560-A563 CarbonylContact O-C 3.22Å; F560-A563 PolarHBondContact O-N 2.87Å; R561-A563 VanDerWaalsContact C-N 3.33Å; A563-R565 PolarHBondContact O-N 3.43Å; A563-R565 VanDerWaalsContact O-N 3.14Å; A563-A566 CarbonylContact O-C 3.37Å; A563-A566 VanDerWaalsContact O-C 3.25Å; A563-A566 PolarHBondContact O-N 3.29Å; A563-A566 VanDerWaalsContact O-N 3.07Å; A563-V567 VanDerWaalsContact O-CA 3.27Å; A563-V567 WeakPolarHBondContact O-CA 3.21Å; A563-V567 WeakPolarHBondContact O-CB 3.4Å; A563-V567 PolarHBondContact O-N 3.23Å; A563-L578 HydrophobicContact CB-CD1 3.62Å; A563-L578 HydrophobicContact CB-CD2 3.97Å; A563-L578 HydrophobicContact CB-CG 4.35Å; A563-F704 HydrophobicContact CB-CZ 4.24Å
564A91Very high90.2Very high31 Ų3148 Ų4826%0.25628%0.283SS..Hα-helixtrans-55.2-32.917900000112.5F560 R561 V562 A566 E700 F704F560-A564 WeakPolarHBondContact O-CB 3.43Å; F560-A564 PolarHBondContact O-N 3.03Å; R561-A564 WeakPolarHBondContact O-CB 3.31Å; R561-A564 PolarHBondContact O-N 3.28Å; V562-A564 VanDerWaalsContact C-N 3.34Å; V562-A564 PolarHBondContact O-N 2.95Å; A564-A566 VanDerWaalsContact C-N 3.34Å; A564-A566 PolarHBondContact O-N 3.43Å; A564-E700 HydrophobicContact CB-CB 4.35Å; A564-E700 WeakPolarHBondContact CB-O 3.41Å; A564-F704 HydrophobicContact CB-CE2 3.87Å
565R87.5Confident90.1Very high196 Ų19647.4 Ų47.474%0.7427%0.274SS*.THydrogen-bonded Turntrans-73.6-24.5-178-60.5176.5-177.7179.7-0.2113.5V562 A563V562-R565 PolarHBondContact O-N 3.04Å; A563-R565 PolarHBondContact O-N 3.43Å; A563-R565 VanDerWaalsContact O-N 3.14Å
566A85.1Confident90.1Very high59 Ų5943.7 Ų43.749%0.48825%0.249SC..THydrogen-bonded Turntrans-149.550.7-175.800000111A563 A564 N568A563-A566 CarbonylContact O-C 3.37Å; A563-A566 VanDerWaalsContact O-C 3.25Å; A563-A566 PolarHBondContact O-N 3.29Å; A563-A566 VanDerWaalsContact O-N 3.07Å; A564-A566 VanDerWaalsContact C-N 3.34Å; A564-A566 PolarHBondContact O-N 3.43Å; A566-N568 PolarHBondContact O-N 3.45Å; A566-N568 VanDerWaalsContact O-N 3.14Å
567V85.9Confident90.1Very high52 Ų5244.3 Ų44.332%0.31525%0.251SS..  trans-73112.1-176.9660000110A563 T569 F704A563-V567 VanDerWaalsContact O-CA 3.27Å; A563-V567 WeakPolarHBondContact O-CA 3.21Å; A563-V567 WeakPolarHBondContact O-CB 3.4Å; A563-V567 PolarHBondContact O-N 3.23Å; V567-T569 HydrophobicContact CG1-CG2 4.2Å; V567-T569 HydrophobicContact CG2-CG2 4.49Å; V567-T569 PolarHBondContact O-N 3.27Å; V567-F704 HydrophobicContact CB-CZ 4.35Å; V567-F704 HydrophobicContact CG2-CE1 4.01Å; V567-F704 HydrophobicContact CG2-CZ 4.09Å
568N86.2Confident90.1Very high19 Ų1944.4 Ų44.410%0.10225%0.251CS..  trans-72.9108.2170-166.5-15.4000111.8A566 S570 H574 N605 E606A566-N568 PolarHBondContact O-N 3.45Å; A566-N568 VanDerWaalsContact O-N 3.14Å; N568-S570 WeakPolarHBondContact OD1-CB 3.41Å; N568-S570 PolarHBondContact OD1-N 3.04Å; N568-S570 PolarHBondContact OD1-OG 3.44Å; N568-S570 VanDerWaalsContact OD1-OG 3.08Å; N568-H574 HydrophobicContact CB-CB 4.16Å; N568-H574 PolarHBondContact N-ND1 3.16Å; N568-N605 PolarHBondContact ND2-O 2.98Å; N568-E606 WeakPolarHBondContact ND2-CA 3.26Å
569T84.4Confident90.1Very high115 Ų11541.5 Ų41.571%0.70623%0.231SC*.  trans-95.30.4176.758.70000113.7V567 G571V567-T569 HydrophobicContact CG1-CG2 4.2Å; V567-T569 HydrophobicContact CG2-CG2 4.49Å; V567-T569 PolarHBondContact O-N 3.27Å; T569-G571 PolarHBondContact O-N 3.18Å; T569-G571 VanDerWaalsContact O-N 3.12Å
570S83.6Confident90.2Very high72 Ų7239.1 Ų39.150%0.50322%0.219SC..SBendtrans-67-11.3-178.4-52.60000113.2N568N568-S570 WeakPolarHBondContact OD1-CB 3.41Å; N568-S570 PolarHBondContact OD1-N 3.04Å; N568-S570 PolarHBondContact OD1-OG 3.44Å; N568-S570 VanDerWaalsContact OD1-OG 3.08Å
571G83.7Confident90.2Very high23 Ų2339.4 Ų39.424%0.23722%0.221CC..SBendtrans-169.7178.4179.300000112T569 L573T569-G571 PolarHBondContact O-N 3.18Å; T569-G571 VanDerWaalsContact O-N 3.12Å; G571-L573 VanDerWaalsContact C-N 3.29Å; G571-L573 PolarHBondContact O-N 3.44Å
572P88.5Confident90.1Very high22 Ų2236 Ų3614%0.14321%0.211CC..SBendtrans-77.3-14.5-179.536.2-41.2000113.1H574 L575 L576 W651 F711P572-H574 VanDerWaalsContact C-N 3.33Å; P572-H574 PolarHBondContact O-N 3.47Å; P572-L575 PolarHBondContact O-N 3.43Å; P572-L575 VanDerWaalsContact O-N 3.12Å; P572-L576 HydrophobicContact CB-CD1 3.89Å; P572-L576 HydrophobicContact CB-CG 4.24Å; P572-L576 HydrophobicContact CG-CD1 4.04Å; P572-L576 WeakPolarHBondContact O-CG 3.27Å; P572-L576 PolarHBondContact O-N 3.2Å; P572-W651 HydrophobicContact CB-CD2 3.93Å; P572-W651 HydrophobicContact CB-CG 3.83Å; P572-W651 HydrophobicContact CB-CZ2 4.49Å; P572-W651 HydrophobicContact CG-CB 4.28Å; P572-W651 HydrophobicContact CG-CD2 4.4Å; P572-W651 HydrophobicContact CG-CG 3.77Å; P572-F711 HydrophobicContact CB-CE2 4.12Å
573L91.4Very high90Very high5 Ų536.7 Ų36.73%0.02621%0.213CC..Hα-helixtrans-58.2-41.3-163.7-178.261.6000113G571 L576 Y577 M602 L609 L641 A644 L645 A648G571-L573 VanDerWaalsContact C-N 3.29Å; G571-L573 PolarHBondContact O-N 3.44Å; L573-L576 PolarHBondContact O-N 3.27Å; L573-Y577 WeakPolarHBondContact O-CB 3.42Å; L573-Y577 PolarHBondContact O-N 2.73Å; L573-M602 HydrophobicContact CD2-SD 3.88Å; L573-L609 HydrophobicContact CD2-CD2 3.8Å; L573-L609 HydrophobicContact CG-CD2 3.72Å; L573-L641 HydrophobicContact CD1-CD1 4.39Å; L573-L641 HydrophobicContact CD2-CD1 4.41Å; L573-A644 HydrophobicContact CD1-CB 3.93Å; L573-L645 HydrophobicContact CD1-CD2 3.83Å; L573-L645 HydrophobicContact CD1-CG 4.15Å; L573-L645 HydrophobicContact CD2-CD2 4Å; L573-A648 HydrophobicContact CD1-CB 3.98Å
574H92.1Very high90.2Very high6 Ų637.9 Ų37.93%0.02822%0.22CC..Hα-helixtrans-69.1-40.4180-168.3-169.7000112N568 P572 Y577 L578 L609N568-H574 HydrophobicContact CB-CB 4.16Å; N568-H574 PolarHBondContact N-ND1 3.16Å; P572-H574 VanDerWaalsContact C-N 3.33Å; P572-H574 PolarHBondContact O-N 3.47Å; H574-Y577 WeakPolarHBondContact O-CB 3.34Å; H574-Y577 PolarHBondContact O-N 2.84Å; H574-L578 WeakPolarHBondContact O-CG 3.47Å; H574-L578 PolarHBondContact O-N 3.23Å; H574-L609 HydrophobicContact CB-CD1 4.38Å; H574-L609 VanDerWaalsContact CD2-CD1 3.48Å; H574-L609 WeakPolarHBondContact CD2-CD1 3.49Å
575L93Very high90.3Very high14 Ų1436.6 Ų36.67%0.07321%0.209CC..Hα-helixtrans-65.2-43.8173.8-64.3179.9000111P572 Y577 L578 I579 F704 L707 F711P572-L575 PolarHBondContact O-N 3.43Å; P572-L575 VanDerWaalsContact O-N 3.12Å; L575-Y577 PolarHBondContact O-N 3.3Å; L575-L578 HydrophobicContact CD2-CD1 4.4Å; L575-L578 WeakPolarHBondContact O-CB 3.41Å; L575-L578 PolarHBondContact O-N 3.44Å; L575-I579 WeakPolarHBondContact O-CG1 3.06Å; L575-I579 PolarHBondContact O-N 3.43Å; L575-F704 HydrophobicContact CD2-CD1 4.13Å; L575-F704 HydrophobicContact CD2-CE1 3.89Å; L575-L707 HydrophobicContact CD1-CD2 3.74Å; L575-L707 HydrophobicContact CD1-CG 4.11Å; L575-L707 HydrophobicContact CD2-CD2 4.24Å; L575-F711 HydrophobicContact CB-CD1 4.36Å; L575-F711 HydrophobicContact CB-CD2 4.36Å; L575-F711 HydrophobicContact CB-CE1 3.8Å; L575-F711 HydrophobicContact CB-CE2 3.83Å; L575-F711 HydrophobicContact CB-CZ 3.51Å; L575-F711 HydrophobicContact CD1-CD1 4.37Å; L575-F711 HydrophobicContact CD1-CD2 3.69Å; L575-F711 HydrophobicContact CD1-CE2 3.93Å; L575-F711 HydrophobicContact CD1-CG 3.93Å; L575-F711 HydrophobicContact CD1-CZ 4.35Å
576L93.9Very high90.6Very high0 Ų030.9 Ų30.90%019%0.193CC..Hα-helixtrans-58.6-36.6174.9-71.4171.8000112.3P572 L573 I579 A580 A644 L647 A648 W651 F711 L715P572-L576 HydrophobicContact CB-CD1 3.89Å; P572-L576 HydrophobicContact CB-CG 4.24Å; P572-L576 HydrophobicContact CG-CD1 4.04Å; P572-L576 WeakPolarHBondContact O-CG 3.27Å; P572-L576 PolarHBondContact O-N 3.2Å; L573-L576 PolarHBondContact O-N 3.27Å; L576-I579 HydrophobicContact CD2-CD1 4.29Å; L576-A580 PolarHBondContact O-N 3.35Å; L576-A644 HydrophobicContact CB-CB 4.12Å; L576-L647 HydrophobicContact CD1-CB 4.14Å; L576-L647 HydrophobicContact CD2-CB 3.86Å; L576-L647 HydrophobicContact CD2-CD1 4.28Å; L576-L647 HydrophobicContact CG-CB 4.46Å; L576-A648 VanDerWaalsContact CD1-CA 3.41Å; L576-A648 HydrophobicContact CD1-CB 3.65Å; L576-W651 HydrophobicContact CD1-CB 4.44Å; L576-F711 HydrophobicContact CD2-CZ 3.82Å; L576-F711 HydrophobicContact CG-CZ 3.94Å; L576-L715 HydrophobicContact CD2-CD1 3.68Å; L576-L715 HydrophobicContact CD2-CD2 4.29Å
577Y94.5Very high90.9Very high26 Ų2633.4 Ų33.410%0.10220%0.202CC..Hα-helixtrans-60.4-51.8170.6173.9-87.8000110.3L573 H574 L575 I579 A580 L613 P637 R640 L641L573-Y577 WeakPolarHBondContact O-CB 3.42Å; L573-Y577 PolarHBondContact O-N 2.73Å; H574-Y577 WeakPolarHBondContact O-CB 3.34Å; H574-Y577 PolarHBondContact O-N 2.84Å; L575-Y577 PolarHBondContact O-N 3.3Å; Y577-I579 VanDerWaalsContact C-N 3.28Å; Y577-I579 PolarHBondContact O-N 3.17Å; Y577-A580 WeakPolarHBondContact O-CB 3.4Å; Y577-A580 PolarHBondContact O-N 2.93Å; Y577-L613 HydrophobicContact CE1-CD2 4.42Å; Y577-L613 HydrophobicContact CE2-CD2 3.66Å; Y577-L613 VanDerWaalsContact OH-CD2 3.31Å; Y577-L613 WeakPolarHBondContact OH-CD2 3.44Å; Y577-P637 WeakPolarHBondContact CE2-O 3.49Å; Y577-R640 HydrophobicContact CD2-CB 4.08Å; Y577-R640 HydrophobicContact CD2-CG 3.78Å; Y577-R640 HydrophobicContact CE2-CB 3.71Å; Y577-R640 HydrophobicContact CE2-CG 3.72Å; Y577-R640 HydrophobicContact CG-CG 4.28Å; Y577-R640 PolarHBondContact O-NE 2.92Å; Y577-L641 HydrophobicContact CD2-CB 4.31Å; Y577-L641 HydrophobicContact CE2-CB 4.46Å
578L94.1Very high91.2Very high3 Ų332.1 Ų32.12%0.01619%0.193CC..Hα-helixtrans-60.1-34.7-178.4-65.7171.9000113.6D559 F560 A563 H574 L575 R640 F704D559-L578 HydrophobicContact CB-CD2 3.97Å; F560-L578 HydrophobicContact CD1-CD1 3.87Å; F560-L578 HydrophobicContact CE1-CB 4.23Å; F560-L578 HydrophobicContact CE1-CD1 3.76Å; F560-L578 HydrophobicContact CE2-CB 4.38Å; F560-L578 HydrophobicContact CZ-CB 3.96Å; F560-L578 HydrophobicContact CZ-CD1 4.33Å; A563-L578 HydrophobicContact CB-CD1 3.62Å; A563-L578 HydrophobicContact CB-CD2 3.97Å; A563-L578 HydrophobicContact CB-CG 4.35Å; H574-L578 WeakPolarHBondContact O-CG 3.47Å; H574-L578 PolarHBondContact O-N 3.23Å; L575-L578 HydrophobicContact CD2-CD1 4.4Å; L575-L578 WeakPolarHBondContact O-CB 3.41Å; L575-L578 PolarHBondContact O-N 3.44Å; L578-R640 PolarHBondContact O-NH2 3.46Å; L578-F704 HydrophobicContact CD1-CE1 4.42Å
579I94.3Very high91.5Very high0 Ų039.3 Ų39.30%023%0.226CC..THydrogen-bonded Turntrans-100.711.3-178.762.4138.3000114.3F560 L575 L576 Y577 P581 A680 A684 L687 F711 L715F560-I579 HydrophobicContact CZ-CG2 4.34Å; L575-I579 WeakPolarHBondContact O-CG1 3.06Å; L575-I579 PolarHBondContact O-N 3.43Å; L576-I579 HydrophobicContact CD2-CD1 4.29Å; Y577-I579 VanDerWaalsContact C-N 3.28Å; Y577-I579 PolarHBondContact O-N 3.17Å; I579-P581 WeakPolarHBondContact O-CD 3.39Å; I579-A680 HydrophobicContact CD1-CB 4.1Å; I579-A684 HydrophobicContact CB-CB 4.45Å; I579-A684 HydrophobicContact CD1-CB 3.97Å; I579-A684 HydrophobicContact CG2-CB 4.15Å; I579-L687 HydrophobicContact CG2-CD1 4.09Å; I579-F711 HydrophobicContact CD1-CE1 3.67Å; I579-F711 HydrophobicContact CD1-CZ 4.34Å; I579-F711 HydrophobicContact CG1-CE1 4.06Å; I579-L715 HydrophobicContact CD1-CD2 3.08Å
580A95.2Very high91.9Very high3 Ų334.9 Ų34.93%0.02520%0.198CC..  trans-61125.9176.800000110.3L576 Y577 P582 V585 R640 V643L576-A580 PolarHBondContact O-N 3.35Å; Y577-A580 WeakPolarHBondContact O-CB 3.4Å; Y577-A580 PolarHBondContact O-N 2.93Å; A580-P582 WeakPolarHBondContact O-CD 3.42Å; A580-V585 HydrophobicContact CB-CG2 4.03Å; A580-R640 HydrophobicContact CB-CG 3.67Å; A580-V643 HydrophobicContact CB-CB 4.47Å; A580-V643 HydrophobicContact CB-CG1 4.21Å
581P93.8Very high92.5Very high7 Ų733.1 Ų33.15%0.04518%0.183CC..  trans-61.4121.3-174.5-25.534.7000112.3I579 D583 V584 V585 T676 A680I579-P581 WeakPolarHBondContact O-CD 3.39Å; P581-D583 VanDerWaalsContact C-N 3.29Å; P581-D583 PolarHBondContact O-N 3.39Å; P581-V584 HydrophobicContact CB-CB 4.33Å; P581-V584 HydrophobicContact CB-CG2 4.03Å; P581-V584 PolarHBondContact O-N 2.77Å; P581-V585 WeakPolarHBondContact O-CG2 3.33Å; P581-V585 PolarHBondContact O-N 3.23Å; P581-T676 HydrophobicContact CG-CG2 4.33Å; P581-A680 HydrophobicContact CG-CB 3.95Å
582P91.5Very high93Very high26 Ų2634.3 Ų34.317%0.16918%0.18CC..Hα-helixtrans-55.7-41.5-175.7-28.135.1000113.6A580 V584 V585 D586A580-P582 WeakPolarHBondContact O-CD 3.42Å; P582-V584 PolarHBondContact O-N 3.31Å; P582-V585 WeakPolarHBondContact O-CB 3.49Å; P582-V585 PolarHBondContact O-N 3.36Å; P582-D586 VanDerWaalsContact O-CG 3.3Å; P582-D586 PolarHBondContact O-N 3.4Å
583D90.3Very high93.3Very high90 Ų9036 Ų3648%0.48119%0.193SC..Hα-helixtrans-63-31.2-178.1-52.8-58000112.4R552 P581 T587R552-D583 IonicContact CZ-OD1 2.6Å; R552-D583 IonicContact CZ-OD2 3.58Å; R552-D583 IonicContact NH1-OD1 3.14Å; R552-D583 IonicContact NH1-OD2 3.64Å; R552-D583 PolarHBondContact NH1-OD2 3.27Å; R552-D583 IonicContact NH2-OD1 3.41Å; R552-D583 PolarHBondContact NH2-OD1 3.38Å; R552-D583 IonicContact NH2-OD2 3.47Å; R552-D583 PolarHBondContact NH2-OD2 3.27Å; P581-D583 VanDerWaalsContact C-N 3.29Å; P581-D583 PolarHBondContact O-N 3.39Å; D583-T587 WeakPolarHBondContact O-CG2 3.48Å; D583-T587 PolarHBondContact O-OG1 3.4Å
584V93.4Very high93.4Very high26 Ų2636.7 Ų36.716%0.15820%0.197CC..Hα-helixtrans-78.2-42.1174.3-179.60000110.2P581 P582 D586 T587 I588 V643 F668 T676P581-V584 HydrophobicContact CB-CB 4.33Å; P581-V584 HydrophobicContact CB-CG2 4.03Å; P581-V584 PolarHBondContact O-N 2.77Å; P582-V584 PolarHBondContact O-N 3.31Å; V584-D586 PolarHBondContact O-N 2.99Å; V584-T587 PolarHBondContact O-N 3.11Å; V584-T587 PolarHBondContact O-OG1 2.99Å; V584-I588 VanDerWaalsContact O-CB 3.29Å; V584-I588 WeakPolarHBondContact O-CB 3.37Å; V584-I588 VanDerWaalsContact O-CG2 3.32Å; V584-I588 WeakPolarHBondContact O-CG2 3.33Å; V584-I588 PolarHBondContact O-N 3.26Å; V584-V643 HydrophobicContact CG1-CG2 4.03Å; V584-F668 HydrophobicContact CG1-CE1 4Å; V584-F668 HydrophobicContact CG1-CZ 4.28Å; V584-T676 HydrophobicContact CB-CG2 4.47Å; V584-T676 HydrophobicContact CG1-CG2 4.07Å; V584-T676 HydrophobicContact CG2-CG2 4.24Å
585V94.6Very high93.5Very high4 Ų436.5 Ų36.52%0.02420%0.196CC..Hα-helixtrans-60.3-35.1178.1172.90000111.7A580 P581 P582 R636 R639 R640 V643A580-V585 HydrophobicContact CB-CG2 4.03Å; P581-V585 WeakPolarHBondContact O-CG2 3.33Å; P581-V585 PolarHBondContact O-N 3.23Å; P582-V585 WeakPolarHBondContact O-CB 3.49Å; P582-V585 PolarHBondContact O-N 3.36Å; V585-R636 HydrophobicContact CG1-CG 3.9Å; V585-R639 HydrophobicContact CG1-CB 3.9Å; V585-R639 WeakPolarHBondContact O-CB 3.37Å; V585-R639 WeakPolarHBondContact O-CD 3.43Å; V585-R639 PolarHBondContact O-NE 3.45Å; V585-R640 HydrophobicContact CG1-CB 4.04Å; V585-R640 HydrophobicContact CG2-CB 4.16Å; V585-R640 HydrophobicContact CG2-CG 4.17Å; V585-V643 HydrophobicContact CG2-CG2 4.21Å
586D92.6Very high93.5Very high77 Ų7738.7 Ų38.741%0.41221%0.205SC..Hα-helixtrans-80.8-18.5-177.9-65.4-28000112.7P582 V584 R636P582-D586 VanDerWaalsContact O-CG 3.3Å; P582-D586 PolarHBondContact O-N 3.4Å; V584-D586 PolarHBondContact O-N 2.99Å; D586-R636 IonicContact OD1-CZ 3.81Å; D586-R636 IonicContact OD1-NE 3.38Å; D586-R636 PolarHBondContact OD1-NE 3.48Å; D586-R636 IonicContact OD1-NH2 2.7Å; D586-R636 PolarHBondContact OD1-NH2 2.92Å; D586-R636 IonicContact OD2-CZ 2.74Å; D586-R636 IonicContact OD2-NE 3.3Å; D586-R636 IonicContact OD2-NH2 2.75Å; D586-R636 PolarHBondContact OD2-NH2 3.48Å
587T91.6Very high93.4Very high112 Ų11242.8 Ų42.869%0.68723%0.227SC*.Hα-helixtrans-108.2-22.6-177.554.40000114.9D583 V584D583-T587 WeakPolarHBondContact O-CG2 3.48Å; D583-T587 PolarHBondContact O-OG1 3.4Å; V584-T587 PolarHBondContact O-N 3.11Å; V584-T587 PolarHBondContact O-OG1 2.99Å
588I93.4Very high93.2Very high24 Ų2443.7 Ų43.712%0.12323%0.23CC..PPolyproline II helixtrans-68.7136.9-175.4-16860.5000112.4V584 R639 Y642 V643 F668V584-I588 VanDerWaalsContact O-CB 3.29Å; V584-I588 WeakPolarHBondContact O-CB 3.37Å; V584-I588 VanDerWaalsContact O-CG2 3.32Å; V584-I588 WeakPolarHBondContact O-CG2 3.33Å; V584-I588 PolarHBondContact O-N 3.26Å; I588-R639 HydrophobicContact CG2-CB 4.09Å; I588-R639 HydrophobicContact CG2-CG 4.31Å; I588-R639 WeakPolarHBondContact O-CD 3.22Å; I588-Y642 HydrophobicContact CG1-CD1 4.12Å; I588-Y642 HydrophobicContact CG1-CE1 4.22Å; I588-V643 HydrophobicContact CG2-CG2 3.98Å; I588-F668 HydrophobicContact CD1-CD1 4.28Å; I588-F668 HydrophobicContact CD1-CE1 3.65Å; I588-F668 HydrophobicContact CD1-CE2 3.94Å; I588-F668 HydrophobicContact CD1-CZ 3.45Å; I588-F668 VanDerWaalsContact CD1-CZ 3.45Å; I588-F668 HydrophobicContact CG1-CE1 4.41Å; I588-F668 HydrophobicContact CG1-CE2 4.39Å; I588-F668 HydrophobicContact CG1-CZ 3.85Å
589Q92.1Very high93Very high170 Ų17044.9 Ų44.979%0.79424%0.236SC*.PPolyproline II helixtrans-91126.7170.2-65.7-173.5-4.100109.8
590I93.3Very high92.8Very high22 Ų2248.2 Ų48.211%0.11326%0.26CS..PPolyproline II helixtrans-78129178.5-58.1177.8000109.5W592 L595 L638 R639 Y642I590-W592 HydrophobicContact CB-CD2 4.29Å; I590-W592 HydrophobicContact CB-CZ2 4.24Å; I590-W592 HydrophobicContact CD1-CH2 3.58Å; I590-W592 HydrophobicContact CD1-CZ2 3.95Å; I590-W592 HydrophobicContact CD1-CZ3 3.94Å; I590-W592 HydrophobicContact CG2-CD2 3.85Å; I590-W592 HydrophobicContact CG2-CE3 3.84Å; I590-W592 HydrophobicContact CG2-CG 4.33Å; I590-W592 HydrophobicContact CG2-CZ3 4.18Å; I590-W592 PolarHBondContact O-N 3.41Å; I590-L595 HydrophobicContact CG2-CB 4.14Å; I590-L595 HydrophobicContact CG2-CD2 3.82Å; I590-L638 HydrophobicContact CD1-CB 4.08Å; I590-R639 HydrophobicContact CD1-CB 4.24Å; I590-R639 HydrophobicContact CD1-CG 3.48Å; I590-R639 VanDerWaalsContact CD1-CG 3.48Å; I590-R639 HydrophobicContact CG1-CB 4.46Å; I590-R639 HydrophobicContact CG1-CG 3.65Å; I590-Y642 HydrophobicContact CG2-CD2 3.96Å; I590-Y642 HydrophobicContact CG2-CE2 4.29Å; I590-Y642 HydrophobicContact CG2-CG 4.42Å
591D94.7Very high92.4Very high35 Ų3553.2 Ų53.219%0.18729%0.285CS..  trans-80.6103.5156.3-170-41000109.1S593 L594 L595 Y642 K667D591-S593 PolarHBondContact OD1-N 2.96Å; D591-S593 VanDerWaalsContact OD1-N 3.16Å; D591-L594 HydrophobicContact CB-CB 3.91Å; D591-L594 PolarHBondContact O-N 2.85Å; D591-L594 PolarHBondContact OD1-N 3.36Å; D591-L595 WeakPolarHBondContact O-CB 3.45Å; D591-L595 PolarHBondContact O-N 3.45Å; D591-Y642 HydrophobicContact CB-CE2 4.3Å; D591-K667 HydrophobicContact CB-CD 4.44Å; D591-K667 WeakPolarHBondContact OD2-CE 3.47Å; D591-K667 IonicContact OD2-NZ 2.79Å; D591-K667 PolarHBondContact OD2-NZ 3.42Å
592W94.3Very high92Very high48 Ų4853.8 Ų53.818%0.18229%0.287CS..Hα-helixtrans-67.1-36.8-174.3-64.9106.6000113I590 L595 F596 K623 A624 E635 L638I590-W592 HydrophobicContact CB-CD2 4.29Å; I590-W592 HydrophobicContact CB-CZ2 4.24Å; I590-W592 HydrophobicContact CD1-CH2 3.58Å; I590-W592 HydrophobicContact CD1-CZ2 3.95Å; I590-W592 HydrophobicContact CD1-CZ3 3.94Å; I590-W592 HydrophobicContact CG2-CD2 3.85Å; I590-W592 HydrophobicContact CG2-CE3 3.84Å; I590-W592 HydrophobicContact CG2-CG 4.33Å; I590-W592 HydrophobicContact CG2-CZ3 4.18Å; I590-W592 PolarHBondContact O-N 3.41Å; W592-L595 HydrophobicContact CE3-CD2 4.2Å; W592-L595 HydrophobicContact CZ3-CD2 4.18Å; W592-L595 PolarHBondContact O-N 3.36Å; W592-F596 WeakPolarHBondContact O-CB 3.2Å; W592-F596 PolarHBondContact O-N 2.96Å; W592-K623 HydrophobicContact CB-CB 4.16Å; W592-K623 HydrophobicContact CD2-CB 3.58Å; W592-K623 HydrophobicContact CD2-CD 4.32Å; W592-K623 HydrophobicContact CD2-CG 4.05Å; W592-K623 HydrophobicContact CE3-CB 3.55Å; W592-K623 HydrophobicContact CE3-CG 3.9Å; W592-K623 HydrophobicContact CG-CB 3.86Å; W592-K623 HydrophobicContact CH2-CD 4.46Å; W592-K623 HydrophobicContact CH2-CG 4.22Å; W592-K623 HydrophobicContact CZ2-CD 4.19Å; W592-K623 HydrophobicContact CZ2-CG 4.36Å; W592-K623 HydrophobicContact CZ3-CB 4.16Å; W592-K623 HydrophobicContact CZ3-CG 3.99Å; W592-A624 HydrophobicContact CB-CB 4.31Å; W592-E635 HydrophobicContact CH2-CB 4.29Å; W592-E635 HydrophobicContact CH2-CG 3.94Å; W592-E635 HydrophobicContact CZ2-CG 4.45Å; W592-E635 WeakPolarHBondContact CZ2-OE2 3.44Å; W592-L638 HydrophobicContact CH2-CD1 4.3Å; W592-L638 HydrophobicContact CZ3-CD1 3.91Å
593S94.3Very high91.6Very high59 Ų5956.1 Ų56.141%0.41330%0.302SS..Hα-helixtrans-64.2-48.1177.5-55.50000109.9D591 L595 F596 D597D591-S593 PolarHBondContact OD1-N 2.96Å; D591-S593 VanDerWaalsContact OD1-N 3.16Å; S593-L595 PolarHBondContact O-N 3.14Å; S593-F596 PolarHBondContact O-N 2.89Å; S593-D597 PolarHBondContact O-N 3.1Å
594L94Very high91.2Very high19 Ų1960 Ų6010%0.09932%0.317CS..Hα-helixtrans-60.6-44.9175.4177.166.8000112.2D591 F596 D597 R598 Y642 R665 Y666D591-L594 HydrophobicContact CB-CB 3.91Å; D591-L594 PolarHBondContact O-N 2.85Å; D591-L594 PolarHBondContact OD1-N 3.36Å; L594-F596 VanDerWaalsContact C-N 3.32Å; L594-F596 PolarHBondContact O-N 3.47Å; L594-D597 PolarHBondContact O-N 3.36Å; L594-R598 HydrophobicContact CD1-CG 4.07Å; L594-R598 HydrophobicContact CG-CG 4.29Å; L594-R598 WeakPolarHBondContact O-CB 3.49Å; L594-R598 VanDerWaalsContact O-CG 3.31Å; L594-R598 WeakPolarHBondContact O-CG 3.3Å; L594-R598 PolarHBondContact O-N 2.96Å; L594-Y642 HydrophobicContact CD2-CE2 4.02Å; L594-R665 HydrophobicContact CD1-CG 3.93Å; L594-R665 HydrophobicContact CD2-CG 4.09Å; L594-R665 WeakPolarHBondContact CD2-O 3.36Å; L594-Y666 HydrophobicContact CD2-CD1 3.92Å; L594-Y666 HydrophobicContact CD2-CE1 4.14Å; L594-Y666 HydrophobicContact CD2-CG 4.13Å
595L94.1Very high90.6Very high1 Ų163.8 Ų63.81%0.00534%0.337CS..Hα-helixtrans-60.7-44-180-179.960.9000111I590 D591 W592 S593 R598 I599 I620 L638 L641 Y642 L645I590-L595 HydrophobicContact CG2-CB 4.14Å; I590-L595 HydrophobicContact CG2-CD2 3.82Å; D591-L595 WeakPolarHBondContact O-CB 3.45Å; D591-L595 PolarHBondContact O-N 3.45Å; W592-L595 HydrophobicContact CE3-CD2 4.2Å; W592-L595 HydrophobicContact CZ3-CD2 4.18Å; W592-L595 PolarHBondContact O-N 3.36Å; S593-L595 PolarHBondContact O-N 3.14Å; L595-R598 PolarHBondContact O-N 3.31Å; L595-I599 HydrophobicContact CD1-CD1 3.84Å; L595-I599 HydrophobicContact CD1-CG1 4.34Å; L595-I599 HydrophobicContact CG-CD1 3.97Å; L595-I599 WeakPolarHBondContact O-CB 3.34Å; L595-I599 WeakPolarHBondContact O-CG1 3.28Å; L595-I599 PolarHBondContact O-N 3.43Å; L595-I620 HydrophobicContact CD2-CG2 4.36Å; L595-I620 HydrophobicContact CG-CG2 4.21Å; L595-L638 HydrophobicContact CD2-CB 4.34Å; L595-L641 HydrophobicContact CD1-CD2 4.39Å; L595-Y642 HydrophobicContact CB-CD2 4.22Å; L595-Y642 HydrophobicContact CD1-CD2 4.31Å; L595-L645 HydrophobicContact CD1-CD1 3.67Å
596F93.3Very high90Very high60 Ų6065.5 Ų65.526%0.26335%0.345SS..Hα-helixtrans-60-47.9175.5179.3-103.1000111.7W592 S593 L594 R598 I599 S600 I620 L621 A624W592-F596 WeakPolarHBondContact O-CB 3.2Å; W592-F596 PolarHBondContact O-N 2.96Å; S593-F596 PolarHBondContact O-N 2.89Å; L594-F596 VanDerWaalsContact C-N 3.32Å; L594-F596 PolarHBondContact O-N 3.47Å; F596-R598 VanDerWaalsContact C-N 3.35Å; F596-R598 PolarHBondContact O-N 3.36Å; F596-I599 PolarHBondContact O-N 3.47Å; F596-S600 WeakPolarHBondContact CZ-OG 3.37Å; F596-S600 WeakPolarHBondContact O-CB 3.38Å; F596-S600 PolarHBondContact O-N 3.16Å; F596-S600 PolarHBondContact O-OG 2.66Å; F596-I620 HydrophobicContact CB-CG2 3.9Å; F596-I620 HydrophobicContact CD2-CG2 4.21Å; F596-L621 HydrophobicContact CD1-CD1 4.36Å; F596-L621 HydrophobicContact CD2-CB 3.89Å; F596-L621 HydrophobicContact CD2-CD1 4.23Å; F596-L621 HydrophobicContact CE1-CD1 3.93Å; F596-L621 HydrophobicContact CE2-CB 3.62Å; F596-L621 HydrophobicContact CE2-CD1 3.8Å; F596-L621 HydrophobicContact CE2-CD2 4.47Å; F596-L621 HydrophobicContact CE2-CG 4.14Å; F596-L621 HydrophobicContact CG-CD1 4.5Å; F596-L621 HydrophobicContact CZ-CB 4.32Å; F596-L621 HydrophobicContact CZ-CD1 3.64Å; F596-L621 HydrophobicContact CZ-CG 4.36Å; F596-A624 HydrophobicContact CB-CB 3.95Å; F596-A624 HydrophobicContact CG-CB 4.41Å
597D92.7Very high89.2Confident87 Ų8764.6 Ų64.647%0.46534%0.342SS..Hα-helixtrans-60.3-45.6179.3-68-18.6000111.2S593 L594 I599 S600 I601S593-D597 PolarHBondContact O-N 3.1Å; L594-D597 PolarHBondContact O-N 3.36Å; D597-I599 VanDerWaalsContact C-N 3.33Å; D597-I599 PolarHBondContact O-N 3.04Å; D597-S600 PolarHBondContact O-N 3.16Å; D597-I601 WeakPolarHBondContact O-CG1 3.44Å; D597-I601 PolarHBondContact O-N 3.37Å; D597-I601 VanDerWaalsContact O-N 3.12Å
598R90.5Very high88.6Confident45 Ų4564.3 Ų64.317%0.1734%0.336CS..Hα-helixtrans-62.5-39.8179.7-75-50.2-44.1-168.713.1112.7L594 L595 F596 I601 M602 L645 E649L594-R598 HydrophobicContact CD1-CG 4.07Å; L594-R598 HydrophobicContact CG-CG 4.29Å; L594-R598 WeakPolarHBondContact O-CB 3.49Å; L594-R598 VanDerWaalsContact O-CG 3.31Å; L594-R598 WeakPolarHBondContact O-CG 3.3Å; L594-R598 PolarHBondContact O-N 2.96Å; L595-R598 PolarHBondContact O-N 3.31Å; F596-R598 VanDerWaalsContact C-N 3.35Å; F596-R598 PolarHBondContact O-N 3.36Å; R598-I601 WeakPolarHBondContact O-CG1 3.28Å; R598-M602 PolarHBondContact O-N 3.07Å; R598-L645 HydrophobicContact CB-CD1 4.16Å; R598-E649 IonicContact CZ-OE1 4Å; R598-E649 IonicContact NE-OE1 2.67Å; R598-E649 IonicContact NH1-OE1 3.07Å; R598-E649 PolarHBondContact NH1-OE1 3.44Å
599I89.3Confident88.2Confident27 Ų2763.4 Ų63.414%0.13833%0.331CS..Hα-helixtrans-68.7-40.6176.7-78.2173.8000110.7L595 F596 D597 I601 M602 I610 I620 L641L595-I599 HydrophobicContact CD1-CD1 3.84Å; L595-I599 HydrophobicContact CD1-CG1 4.34Å; L595-I599 HydrophobicContact CG-CD1 3.97Å; L595-I599 WeakPolarHBondContact O-CB 3.34Å; L595-I599 WeakPolarHBondContact O-CG1 3.28Å; L595-I599 PolarHBondContact O-N 3.43Å; F596-I599 PolarHBondContact O-N 3.47Å; D597-I599 VanDerWaalsContact C-N 3.33Å; D597-I599 PolarHBondContact O-N 3.04Å; I599-I601 VanDerWaalsContact C-N 3.31Å; I599-I601 PolarHBondContact O-N 3.11Å; I599-M602 VanDerWaalsContact O-CB 3.27Å; I599-M602 WeakPolarHBondContact O-CB 3.23Å; I599-M602 PolarHBondContact O-N 3.06Å; I599-I610 HydrophobicContact CB-CD1 4.07Å; I599-I610 HydrophobicContact CD1-CD1 4.28Å; I599-I610 HydrophobicContact CG1-CD1 3.88Å; I599-I610 HydrophobicContact CG2-CD1 3.38Å; I599-I620 HydrophobicContact CD1-CD1 3.48Å; I599-I620 VanDerWaalsContact CD1-CD1 3.48Å; I599-L641 HydrophobicContact CD1-CD2 3.95Å; I599-L641 HydrophobicContact CG1-CD2 4.49Å
600S89.1Confident87.7Confident71 Ų7157 Ų5750%0.49730%0.302SS..Hα-helixtrans-66.2-31.7-178.5-59.20000113.1F596 D597F596-S600 WeakPolarHBondContact CZ-OG 3.37Å; F596-S600 WeakPolarHBondContact O-CB 3.38Å; F596-S600 PolarHBondContact O-N 3.16Å; F596-S600 PolarHBondContact O-OG 2.66Å; D597-S600 PolarHBondContact O-N 3.16Å
601I88.3Confident87.2Confident108 Ų10860 Ų6055%0.55433%0.326SS*.THydrogen-bonded Turntrans-93.12.4177.968.7-179.3000113.8D597 R598 I599D597-I601 WeakPolarHBondContact O-CG1 3.44Å; D597-I601 PolarHBondContact O-N 3.37Å; D597-I601 VanDerWaalsContact O-N 3.12Å; R598-I601 WeakPolarHBondContact O-CG1 3.28Å; I599-I601 VanDerWaalsContact C-N 3.31Å; I599-I601 PolarHBondContact O-N 3.11Å
602M84.7Confident86.6Confident18 Ų1862 Ų629%0.08934%0.335CS..SBendtrans-71.8139.5-173.8-161.417564.200111L573 R598 I599 E606 T607 I610L573-M602 HydrophobicContact CD2-SD 3.88Å; R598-M602 PolarHBondContact O-N 3.07Å; I599-M602 VanDerWaalsContact O-CB 3.27Å; I599-M602 WeakPolarHBondContact O-CB 3.23Å; I599-M602 PolarHBondContact O-N 3.06Å; M602-E606 HydrophobicContact CE-CB 3.83Å; M602-E606 VanDerWaalsContact CE-O 3.26Å; M602-E606 WeakPolarHBondContact CE-O 3.19Å; M602-E606 HydrophobicContact CG-CB 3.65Å; M602-E606 WeakPolarHBondContact CG-OE2 3.34Å; M602-E606 HydrophobicContact SD-CB 3.69Å; M602-T607 VanDerWaalsContact CE-CA 3.48Å; M602-T607 HydrophobicContact CE-CG2 4.07Å; M602-I610 HydrophobicContact CE-CD1 3.31Å; M602-I610 HydrophobicContact CE-CG1 3.81Å; M602-I610 HydrophobicContact SD-CD1 4.47Å
603P83.5Confident86.3Confident76 Ų7660.9 Ų60.949%0.49433%0.333SS..  trans-57.9146.8178.4-22.832.8000112.1N605 E606 T607P603-N605 PolarHBondContact O-N 2.96Å; P603-E606 PolarHBondContact O-N 2.86Å; P603-T607 PolarHBondContact O-N 2.79Å
604Q81.5Confident85.9Confident170 Ų17061 Ų6179%0.79434%0.344SS*.THydrogen-bonded Turntrans-54.9-27.6178-69.8-179.1-6.900113.1E606 T607Q604-E606 PolarHBondContact O-N 2.66Å; Q604-T607 PolarHBondContact O-OG1 2.87Å
605N81Confident85.6Confident107 Ų10761.6 Ų61.657%0.57235%0.345SS*.THydrogen-bonded Turntrans-70.9-20.5177.9-60.5-7.5000113N568 P603N568-N605 PolarHBondContact ND2-O 2.98Å; P603-N605 PolarHBondContact O-N 2.96Å
606E81.3Confident85.3Confident40 Ų4064.4 Ų64.419%0.18736%0.364CS..THydrogen-bonded Turntrans-96.8-15.1-179.6-72.2-173169.500113.2N568 M602 P603 Q604 N608 L609N568-E606 WeakPolarHBondContact ND2-CA 3.26Å; M602-E606 HydrophobicContact CE-CB 3.83Å; M602-E606 VanDerWaalsContact CE-O 3.26Å; M602-E606 WeakPolarHBondContact CE-O 3.19Å; M602-E606 HydrophobicContact CG-CB 3.65Å; M602-E606 WeakPolarHBondContact CG-OE2 3.34Å; M602-E606 HydrophobicContact SD-CB 3.69Å; P603-E606 PolarHBondContact O-N 2.86Å; Q604-E606 PolarHBondContact O-N 2.66Å; E606-N608 PolarHBondContact O-N 2.93Å; E606-L609 WeakPolarHBondContact O-CB 3.29Å; E606-L609 PolarHBondContact O-N 3.01Å
607T76.7Confident84.6Confident57 Ų5771.3 Ų71.335%0.3540%0.397SS..THydrogen-bonded Turntrans-64-24.6-175.356.90000113.5M602 P603 Q604 L609 I610 S611M602-T607 VanDerWaalsContact CE-CA 3.48Å; M602-T607 HydrophobicContact CE-CG2 4.07Å; P603-T607 PolarHBondContact O-N 2.79Å; Q604-T607 PolarHBondContact O-OG1 2.87Å; T607-L609 PolarHBondContact O-N 3Å; T607-L609 VanDerWaalsContact O-N 3.13Å; T607-I610 WeakPolarHBondContact O-CB 3.48Å; T607-I610 PolarHBondContact O-N 2.74Å; T607-S611 PolarHBondContact O-N 2.78Å
608N78.8Confident84.4Confident107 Ų10768.1 Ų68.157%0.57238%0.384SS*.Hα-helixtrans-55-28.2171.8-72.1-10.8000113.2E606 S611 L612E606-N608 PolarHBondContact O-N 2.93Å; N608-S611 WeakPolarHBondContact CA-OG 3.5Å; N608-S611 PolarHBondContact O-OG 3.12Å; N608-L612 WeakPolarHBondContact O-CB 3.42Å; N608-L612 PolarHBondContact O-N 3.11Å; N608-L612 VanDerWaalsContact O-N 3.13Å
609L84.3Confident84.5Confident4 Ų466 Ų662%0.02138%0.377CS..Hα-helixtrans-66.4-40.4175.5-178.562.1000111L573 H574 E606 T607 L612 L613 L641L573-L609 HydrophobicContact CD2-CD2 3.8Å; L573-L609 HydrophobicContact CG-CD2 3.72Å; H574-L609 HydrophobicContact CB-CD1 4.38Å; H574-L609 VanDerWaalsContact CD2-CD1 3.48Å; H574-L609 WeakPolarHBondContact CD2-CD1 3.49Å; E606-L609 WeakPolarHBondContact O-CB 3.29Å; E606-L609 PolarHBondContact O-N 3.01Å; T607-L609 PolarHBondContact O-N 3Å; T607-L609 VanDerWaalsContact O-N 3.13Å; L609-L612 WeakPolarHBondContact O-CB 3.36Å; L609-L612 PolarHBondContact O-N 3.21Å; L609-L613 WeakPolarHBondContact O-CG 3.45Å; L609-L613 PolarHBondContact O-N 3.45Å; L609-L641 HydrophobicContact CD2-CD1 3.79Å
610I82.4Confident84.6Confident36 Ų3665.2 Ų65.219%0.18537%0.373CS..Hα-helixtrans-67.8-42.6-178.4-61.3169.3000110.3I599 M602 T607 L612 L613I599-I610 HydrophobicContact CB-CD1 4.07Å; I599-I610 HydrophobicContact CD1-CD1 4.28Å; I599-I610 HydrophobicContact CG1-CD1 3.88Å; I599-I610 HydrophobicContact CG2-CD1 3.38Å; M602-I610 HydrophobicContact CE-CD1 3.31Å; M602-I610 HydrophobicContact CE-CG1 3.81Å; M602-I610 HydrophobicContact SD-CD1 4.47Å; T607-I610 WeakPolarHBondContact O-CB 3.48Å; T607-I610 PolarHBondContact O-N 2.74Å; I610-L612 VanDerWaalsContact C-N 3.26Å; I610-L612 PolarHBondContact O-N 3.47Å; I610-L613 WeakPolarHBondContact O-CB 3.18Å; I610-L613 PolarHBondContact O-N 2.94Å; I610-L613 VanDerWaalsContact O-N 3.13Å
611S82Confident84.7Confident86 Ų8665.1 Ų65.160%0.60137%0.366SS*.Hα-helixtrans-62.7-36175.959.80000111.7T607 N608 L613 G614T607-S611 PolarHBondContact O-N 2.78Å; N608-S611 WeakPolarHBondContact CA-OG 3.5Å; N608-S611 PolarHBondContact O-OG 3.12Å; S611-L613 VanDerWaalsContact C-N 3.26Å; S611-L613 PolarHBondContact O-N 3.33Å; S611-G614 PolarHBondContact O-N 3.06Å
612L83.2Confident85Confident75 Ų7564.6 Ų64.639%0.39336%0.357SS..Hα-helixtrans-63.6-28175-171.766.9000113.3N608 L609 I610 G614N608-L612 WeakPolarHBondContact O-CB 3.42Å; N608-L612 PolarHBondContact O-N 3.11Å; N608-L612 VanDerWaalsContact O-N 3.13Å; L609-L612 WeakPolarHBondContact O-CB 3.36Å; L609-L612 PolarHBondContact O-N 3.21Å; I610-L612 VanDerWaalsContact C-N 3.26Å; I610-L612 PolarHBondContact O-N 3.47Å; L612-G614 PolarHBondContact O-N 3.34Å
613L86.9Confident85.4Confident25 Ų2566.1 Ų66.113%0.13136%0.363CS..THydrogen-bonded Turntrans-72.7-14.5178.4-61.4-178.1000113.6Y577 L609 I610 S611 F615 P637 L638 L641Y577-L613 HydrophobicContact CE1-CD2 4.42Å; Y577-L613 HydrophobicContact CE2-CD2 3.66Å; Y577-L613 VanDerWaalsContact OH-CD2 3.31Å; Y577-L613 WeakPolarHBondContact OH-CD2 3.44Å; L609-L613 WeakPolarHBondContact O-CG 3.45Å; L609-L613 PolarHBondContact O-N 3.45Å; I610-L613 WeakPolarHBondContact O-CB 3.18Å; I610-L613 PolarHBondContact O-N 2.94Å; I610-L613 VanDerWaalsContact O-N 3.13Å; S611-L613 VanDerWaalsContact C-N 3.26Å; S611-L613 PolarHBondContact O-N 3.33Å; L613-F615 HydrophobicContact CB-CD2 3.71Å; L613-F615 HydrophobicContact CB-CE2 4Å; L613-F615 VanDerWaalsContact O-CD2 3.28Å; L613-F615 WeakPolarHBondContact O-CD2 3.13Å; L613-F615 WeakPolarHBondContact O-CE2 3.31Å; L613-F615 PolarHBondContact O-N 3.19Å; L613-P637 HydrophobicContact CD2-CB 4.07Å; L613-L638 HydrophobicContact CD1-CD2 4.2Å; L613-L641 HydrophobicContact CD1-CB 4.25Å; L613-L641 HydrophobicContact CD1-CD2 3.82Å
614G85.3Confident85.9Confident62 Ų6263.7 Ų63.764%0.63935%0.35SS*.THydrogen-bonded Turntrans71.422.8172.900000115.6S611 L612S611-G614 PolarHBondContact O-N 3.06Å; L612-G614 PolarHBondContact O-N 3.34Å
615F89.2Confident86.5Confident31 Ų3160 Ų6014%0.13634%0.339CS..  trans-87.2145.2174.7-71.2-96.6000111.2L613 Y619 L633 D634 P637 L638L613-F615 HydrophobicContact CB-CD2 3.71Å; L613-F615 HydrophobicContact CB-CE2 4Å; L613-F615 VanDerWaalsContact O-CD2 3.28Å; L613-F615 WeakPolarHBondContact O-CD2 3.13Å; L613-F615 WeakPolarHBondContact O-CE2 3.31Å; L613-F615 PolarHBondContact O-N 3.19Å; F615-Y619 AromaticContact CD1-CD1 3.65Å; F615-Y619 HydrophobicContact CD1-CD1 3.65Å; F615-Y619 AromaticContact CD1-CE1 3.97Å; F615-Y619 HydrophobicContact CD1-CE1 3.97Å; F615-Y619 HydrophobicContact CD1-CG 4Å; F615-Y619 HydrophobicContact CE1-CD1 4.22Å; F615-Y619 HydrophobicContact CE1-CE1 4.08Å; F615-L633 HydrophobicContact CD1-CD1 3.84Å; F615-L633 HydrophobicContact CE1-CB 4Å; F615-L633 HydrophobicContact CE1-CD1 4.14Å; F615-D634 VanDerWaalsContact CZ-O 3.28Å; F615-D634 WeakPolarHBondContact CZ-O 3.44Å; F615-P637 HydrophobicContact CE2-CB 4Å; F615-P637 HydrophobicContact CE2-CG 4.25Å; F615-P637 HydrophobicContact CZ-CB 4.38Å; F615-P637 HydrophobicContact CZ-CG 4.33Å; F615-L638 HydrophobicContact CD1-CD1 3.77Å; F615-L638 HydrophobicContact CD1-CG 4.29Å; F615-L638 HydrophobicContact CD2-CD2 4.04Å; F615-L638 HydrophobicContact CD2-CG 4.2Å; F615-L638 HydrophobicContact CE1-CD1 3.53Å; F615-L638 HydrophobicContact CE1-CG 3.88Å; F615-L638 HydrophobicContact CE2-CD1 4.34Å; F615-L638 HydrophobicContact CE2-CD2 4.06Å; F615-L638 HydrophobicContact CE2-CG 3.81Å; F615-L638 HydrophobicContact CG-CD1 4.26Å; F615-L638 HydrophobicContact CG-CD2 4.36Å; F615-L638 HydrophobicContact CG-CG 4.44Å; F615-L638 HydrophobicContact CZ-CD1 3.85Å; F615-L638 HydrophobicContact CZ-CD2 4.36Å; F615-L638 HydrophobicContact CZ-CG 3.63Å
616P88.1Confident86.9Confident61 Ų6158 Ų5840%0.39634%0.343SS..  trans-55.9140.6168.6-22.231.5000111.2G618 Y619 W622 L633P616-G618 PolarHBondContact O-N 2.88Å; P616-Y619 VanDerWaalsContact O-CB 3.23Å; P616-Y619 WeakPolarHBondContact O-CB 3.39Å; P616-Y619 PolarHBondContact O-N 3.3Å; P616-W622 HydrophobicContact CB-CZ3 4.48Å; P616-L633 HydrophobicContact CG-CD1 4.43Å
617E78.8Confident87.4Confident205 Ų20562.7 Ų62.796%0.95836%0.36SS*.THydrogen-bonded Turntrans-52.5-36.3-175.7-66.2-178171.500113.2
618G87.4Confident87.9Confident19 Ų1964.8 Ų64.820%0.19637%0.374CS..THydrogen-bonded Turntrans-84.1-6.8178.400000115.8P616 I620 L621 W622P616-G618 PolarHBondContact O-N 2.88Å; G618-I620 PolarHBondContact O-N 3.46Å; G618-L621 WeakPolarHBondContact O-CB 3.44Å; G618-L621 PolarHBondContact O-N 3.1Å; G618-W622 PolarHBondContact O-N 2.98Å
619Y92.2Very high88.4Confident2 Ų262 Ų621%0.00836%0.359CS..Hα-helixtrans-61.1-46.6-168.1-171.7-89.1000113.2F615 P616 W622 K623 I629 L633 E635 L638F615-Y619 AromaticContact CD1-CD1 3.65Å; F615-Y619 HydrophobicContact CD1-CD1 3.65Å; F615-Y619 AromaticContact CD1-CE1 3.97Å; F615-Y619 HydrophobicContact CD1-CE1 3.97Å; F615-Y619 HydrophobicContact CD1-CG 4Å; F615-Y619 HydrophobicContact CE1-CD1 4.22Å; F615-Y619 HydrophobicContact CE1-CE1 4.08Å; P616-Y619 VanDerWaalsContact O-CB 3.23Å; P616-Y619 WeakPolarHBondContact O-CB 3.39Å; P616-Y619 PolarHBondContact O-N 3.3Å; Y619-W622 PolarHBondContact O-N 2.78Å; Y619-K623 HydrophobicContact CD1-CG 4.39Å; Y619-K623 HydrophobicContact CE1-CG 4.09Å; Y619-K623 WeakPolarHBondContact O-CG 3.35Å; Y619-K623 PolarHBondContact O-N 3.1Å; Y619-K623 VanDerWaalsContact O-N 3.09Å; Y619-I629 HydrophobicContact CD2-CD1 4.22Å; Y619-I629 HydrophobicContact CD2-CG2 4.39Å; Y619-I629 HydrophobicContact CE2-CD1 3.91Å; Y619-I629 HydrophobicContact CE2-CG2 3.87Å; Y619-L633 HydrophobicContact CD2-CD1 4.12Å; Y619-L633 HydrophobicContact CE2-CB 4.26Å; Y619-L633 HydrophobicContact CE2-CD1 4.03Å; Y619-L633 HydrophobicContact CE2-CG 4.01Å; Y619-L633 PolarHBondContact OH-N 3.13Å; Y619-E635 HydrophobicContact CE1-CG 4.47Å; Y619-E635 PolarHBondContact OH-OE1 3.38Å; Y619-L638 HydrophobicContact CD1-CD1 4.04Å; Y619-L638 HydrophobicContact CE1-CD1 4.07Å
620I91.6Very high88.3Confident10 Ų1072.3 Ų72.35%0.05140%0.404CS..Hα-helixtrans-68.8-38.4-179.8-62.8150.2000110.3L595 F596 I599 G618 K623 A624 L638L595-I620 HydrophobicContact CD2-CG2 4.36Å; L595-I620 HydrophobicContact CG-CG2 4.21Å; F596-I620 HydrophobicContact CB-CG2 3.9Å; F596-I620 HydrophobicContact CD2-CG2 4.21Å; I599-I620 HydrophobicContact CD1-CD1 3.48Å; I599-I620 VanDerWaalsContact CD1-CD1 3.48Å; G618-I620 PolarHBondContact O-N 3.46Å; I620-K623 WeakPolarHBondContact O-CB 3.46Å; I620-K623 PolarHBondContact O-N 3.02Å; I620-A624 WeakPolarHBondContact O-CB 3.39Å; I620-A624 PolarHBondContact O-N 3.24Å; I620-L638 HydrophobicContact CD1-CD2 4.07Å; I620-L638 HydrophobicContact CG1-CD1 4.15Å; I620-L638 HydrophobicContact CG1-CD2 4.2Å
621L92.3Very high88.6Confident69 Ų6980 Ų8036%0.36143%0.431SS..Hα-helixtrans-63-44174.9177.158.3000111.7F596 G618 K623 A624 T625F596-L621 HydrophobicContact CD1-CD1 4.36Å; F596-L621 HydrophobicContact CD2-CB 3.89Å; F596-L621 HydrophobicContact CD2-CD1 4.23Å; F596-L621 HydrophobicContact CE1-CD1 3.93Å; F596-L621 HydrophobicContact CE2-CB 3.62Å; F596-L621 HydrophobicContact CE2-CD1 3.8Å; F596-L621 HydrophobicContact CE2-CD2 4.47Å; F596-L621 HydrophobicContact CE2-CG 4.14Å; F596-L621 HydrophobicContact CG-CD1 4.5Å; F596-L621 HydrophobicContact CZ-CB 4.32Å; F596-L621 HydrophobicContact CZ-CD1 3.64Å; F596-L621 HydrophobicContact CZ-CG 4.36Å; G618-L621 WeakPolarHBondContact O-CB 3.44Å; G618-L621 PolarHBondContact O-N 3.1Å; L621-K623 VanDerWaalsContact C-N 3.29Å; L621-K623 PolarHBondContact O-N 3.45Å; L621-A624 PolarHBondContact O-N 3.04Å; L621-T625 HydrophobicContact CD1-CG2 3.88Å; L621-T625 WeakPolarHBondContact O-CB 3.39Å; L621-T625 WeakPolarHBondContact O-CG2 3.34Å; L621-T625 PolarHBondContact O-N 2.86Å; L621-T625 PolarHBondContact O-OG1 2.9Å
622W93.8Very high88.8Confident97 Ų9783 Ų8337%0.36743%0.433SS..Hα-helixtrans-60.8-41176.4-63.8-26.8000111.5P616 G618 Y619 T625 G626 Y627 I629P616-W622 HydrophobicContact CB-CZ3 4.48Å; G618-W622 PolarHBondContact O-N 2.98Å; Y619-W622 PolarHBondContact O-N 2.78Å; W622-T625 WeakPolarHBondContact CA-OG1 3.43Å; W622-T625 PolarHBondContact O-N 2.96Å; W622-T625 PolarHBondContact O-OG1 2.96Å; W622-G626 CarbonylContact O-C 3.57Å; W622-G626 PolarHBondContact O-N 2.76Å; W622-Y627 HydrophobicContact CB-CD1 4.21Å; W622-Y627 HydrophobicContact CB-CG 4.46Å; W622-Y627 AromaticContact CD1-CD1 3.88Å; W622-Y627 HydrophobicContact CD2-CD1 4.43Å; W622-Y627 AromaticContact CG-CD1 3.91Å; W622-Y627 HydrophobicContact CG-CD1 3.91Å; W622-Y627 HydrophobicContact CG-CG 4.33Å; W622-Y627 PolarHBondContact O-N 2.82Å; W622-I629 HydrophobicContact CB-CD1 4.02Å; W622-I629 HydrophobicContact CB-CG1 3.99Å; W622-I629 HydrophobicContact CE3-CG1 4.43Å
623K93.6Very high89.2Confident49 Ų4982 Ų8221%0.21343%0.427CS..Hα-helixtrans-62.4-46173.1-77.6-65.1-1531600113.1W592 Y619 I620 L621 T625 G626 I629 E635W592-K623 HydrophobicContact CB-CB 4.16Å; W592-K623 HydrophobicContact CD2-CB 3.58Å; W592-K623 HydrophobicContact CD2-CD 4.32Å; W592-K623 HydrophobicContact CD2-CG 4.05Å; W592-K623 HydrophobicContact CE3-CB 3.55Å; W592-K623 HydrophobicContact CE3-CG 3.9Å; W592-K623 HydrophobicContact CG-CB 3.86Å; W592-K623 HydrophobicContact CH2-CD 4.46Å; W592-K623 HydrophobicContact CH2-CG 4.22Å; W592-K623 HydrophobicContact CZ2-CD 4.19Å; W592-K623 HydrophobicContact CZ2-CG 4.36Å; W592-K623 HydrophobicContact CZ3-CB 4.16Å; W592-K623 HydrophobicContact CZ3-CG 3.99Å; Y619-K623 HydrophobicContact CD1-CG 4.39Å; Y619-K623 HydrophobicContact CE1-CG 4.09Å; Y619-K623 WeakPolarHBondContact O-CG 3.35Å; Y619-K623 PolarHBondContact O-N 3.1Å; Y619-K623 VanDerWaalsContact O-N 3.09Å; I620-K623 WeakPolarHBondContact O-CB 3.46Å; I620-K623 PolarHBondContact O-N 3.02Å; L621-K623 VanDerWaalsContact C-N 3.29Å; L621-K623 PolarHBondContact O-N 3.45Å; K623-T625 VanDerWaalsContact C-N 3.3Å; K623-T625 PolarHBondContact O-N 3.39Å; K623-G626 PolarHBondContact O-N 2.86Å; K623-I629 HydrophobicContact CD-CD1 3.8Å; K623-I629 HydrophobicContact CG-CD1 3.78Å; K623-E635 WeakPolarHBondContact CE-OE1 3.06Å; K623-E635 IonicContact NZ-OE1 3.13Å; K623-E635 PolarHBondContact NZ-OE1 2.87Å; K623-E635 IonicContact NZ-OE2 3.82Å
624A93Very high89.4Confident26 Ų2685.9 Ų85.922%0.21545%0.448CS..Hα-helixtrans-63-37.4179.800000112.3W592 F596 I620 L621W592-A624 HydrophobicContact CB-CB 4.31Å; F596-A624 HydrophobicContact CB-CB 3.95Å; F596-A624 HydrophobicContact CG-CB 4.41Å; I620-A624 WeakPolarHBondContact O-CB 3.39Å; I620-A624 PolarHBondContact O-N 3.24Å; L621-A624 PolarHBondContact O-N 3.04Å
625T93.9Very high89.8Confident93 Ų9384 Ų8457%0.57142%0.423SS*.Hα-helixtrans-86.2-8.2-179.653.60000114L621 W622 K623 Y627L621-T625 HydrophobicContact CD1-CG2 3.88Å; L621-T625 WeakPolarHBondContact O-CB 3.39Å; L621-T625 WeakPolarHBondContact O-CG2 3.34Å; L621-T625 PolarHBondContact O-N 2.86Å; L621-T625 PolarHBondContact O-OG1 2.9Å; W622-T625 WeakPolarHBondContact CA-OG1 3.43Å; W622-T625 PolarHBondContact O-N 2.96Å; W622-T625 PolarHBondContact O-OG1 2.96Å; K623-T625 VanDerWaalsContact C-N 3.3Å; K623-T625 PolarHBondContact O-N 3.39Å; T625-Y627 VanDerWaalsContact C-N 3.27Å; T625-Y627 PolarHBondContact O-N 2.91Å
626G91.1Very high90Very high63 Ų6387.7 Ų87.765%0.64944%0.436SS*.THydrogen-bonded Turntrans72.417.7-173.800000114W622 K623W622-G626 CarbonylContact O-C 3.57Å; W622-G626 PolarHBondContact O-N 2.76Å; K623-G626 PolarHBondContact O-N 2.86Å
627Y91Very high90.3Very high139 Ų13986.3 Ų86.355%0.54543%0.427SS..PPolyproline II helixtrans-63.5136.9177.6-173.5-90.3000111W622 T625 I629W622-Y627 HydrophobicContact CB-CD1 4.21Å; W622-Y627 HydrophobicContact CB-CG 4.46Å; W622-Y627 AromaticContact CD1-CD1 3.88Å; W622-Y627 HydrophobicContact CD2-CD1 4.43Å; W622-Y627 AromaticContact CG-CD1 3.91Å; W622-Y627 HydrophobicContact CG-CD1 3.91Å; W622-Y627 HydrophobicContact CG-CG 4.33Å; W622-Y627 PolarHBondContact O-N 2.82Å; T625-Y627 VanDerWaalsContact C-N 3.27Å; T625-Y627 PolarHBondContact O-N 2.91Å; Y627-I629 PolarHBondContact O-N 3.36Å
628P88.1Confident91Very high101 Ų10176.7 Ų76.766%0.65638%0.382SS*.PPolyproline II helixtrans-67.7119.8-178.126.6-34.5000111.9
629I88.1Confident91.5Very high48 Ų4878.2 Ų78.225%0.24638%0.382CS..PPolyproline II helixtrans-98.8118.4179.6-56.1176.5000109.6Y619 W622 K623 Y627 R631Y619-I629 HydrophobicContact CD2-CD1 4.22Å; Y619-I629 HydrophobicContact CD2-CG2 4.39Å; Y619-I629 HydrophobicContact CE2-CD1 3.91Å; Y619-I629 HydrophobicContact CE2-CG2 3.87Å; W622-I629 HydrophobicContact CB-CD1 4.02Å; W622-I629 HydrophobicContact CB-CG1 3.99Å; W622-I629 HydrophobicContact CE3-CG1 4.43Å; K623-I629 HydrophobicContact CD-CD1 3.8Å; K623-I629 HydrophobicContact CG-CD1 3.78Å; Y627-I629 PolarHBondContact O-N 3.36Å; I629-R631 VanDerWaalsContact CG2-O 3.31Å; I629-R631 WeakPolarHBondContact CG2-O 3.16Å; I629-R631 PolarHBondContact O-N 2.79Å
630K83.5Confident91.6Very high221 Ų22179.6 Ų79.696%0.96139%0.387SS*.SBendtrans-63.2-37.8-178.5-66.9-176.1179.3-1800113.8
631R86.7Confident91.8Very high199 Ų19979.2 Ų79.275%0.75139%0.385SS*.SBendtrans-124.4107.4178.9-176.5177.8176.6176.6-1.2109.7I629 L633I629-R631 VanDerWaalsContact CG2-O 3.31Å; I629-R631 WeakPolarHBondContact CG2-O 3.16Å; I629-R631 PolarHBondContact O-N 2.79Å; R631-L633 PolarHBondContact O-N 3.08Å
632K86.8Confident92Very high149 Ų14976 Ų7665%0.64837%0.368SS*.PPolyproline II helixtrans-72.8125.5173-163.1177.4-179.3-175.60108.9E635K632-E635 WeakPolarHBondContact CE-OE1 3.4Å; K632-E635 IonicContact NZ-OE1 2.97Å
633L91Very high92.1Very high52 Ų5271.4 Ų71.427%0.27235%0.351SS..PPolyproline II helixtrans-89.3165.6174.8-61.9176.8000109.2F615 P616 Y619 R631 E635F615-L633 HydrophobicContact CD1-CD1 3.84Å; F615-L633 HydrophobicContact CE1-CB 4Å; F615-L633 HydrophobicContact CE1-CD1 4.14Å; P616-L633 HydrophobicContact CG-CD1 4.43Å; Y619-L633 HydrophobicContact CD2-CD1 4.12Å; Y619-L633 HydrophobicContact CE2-CB 4.26Å; Y619-L633 HydrophobicContact CE2-CD1 4.03Å; Y619-L633 HydrophobicContact CE2-CG 4.01Å; Y619-L633 PolarHBondContact OH-N 3.13Å; R631-L633 PolarHBondContact O-N 3.08Å; L633-E635 PolarHBondContact O-N 3.25Å
634D91.9Very high92.1Very high108 Ų10869.1 Ų69.158%0.57834%0.341SS*.PPolyproline II helixtrans-66117.8168.1179.317.8000109.2F615 R636 P637F615-D634 VanDerWaalsContact CZ-O 3.28Å; F615-D634 WeakPolarHBondContact CZ-O 3.44Å; D634-R636 VanDerWaalsContact C-N 3.31Å; D634-R636 WeakPolarHBondContact OD1-CB 3.49Å; D634-R636 PolarHBondContact OD1-N 3.07Å; D634-R636 WeakPolarHBondContact OD2-CB 3.19Å; D634-P637 WeakPolarHBondContact O-CD 3.44Å
635E93.1Very high92.1Very high21 Ų2168.3 Ų68.310%0.09833%0.333CS..  trans-87.70.6-177-68.3163.6-163.400112.4W592 Y619 K623 K632 L633 P637 L638 R639W592-E635 HydrophobicContact CH2-CB 4.29Å; W592-E635 HydrophobicContact CH2-CG 3.94Å; W592-E635 HydrophobicContact CZ2-CG 4.45Å; W592-E635 WeakPolarHBondContact CZ2-OE2 3.44Å; Y619-E635 HydrophobicContact CE1-CG 4.47Å; Y619-E635 PolarHBondContact OH-OE1 3.38Å; K623-E635 WeakPolarHBondContact CE-OE1 3.06Å; K623-E635 IonicContact NZ-OE1 3.13Å; K623-E635 PolarHBondContact NZ-OE1 2.87Å; K623-E635 IonicContact NZ-OE2 3.82Å; K632-E635 WeakPolarHBondContact CE-OE1 3.4Å; K632-E635 IonicContact NZ-OE1 2.97Å; L633-E635 PolarHBondContact O-N 3.25Å; E635-P637 VanDerWaalsContact C-CD 3.48Å; E635-L638 PolarHBondContact O-N 3.35Å; E635-R639 PolarHBondContact O-N 3.48Å
636R94.1Very high92.1Very high109 Ų10963.9 Ų63.941%0.41131%0.306SS..Hα-helixtrans-54.4-43.1178.7-164.3-179.3-164.3-1603.1113.4V585 D586 D634 L638 R639 R640V585-R636 HydrophobicContact CG1-CG 3.9Å; D586-R636 IonicContact OD1-CZ 3.81Å; D586-R636 IonicContact OD1-NE 3.38Å; D586-R636 PolarHBondContact OD1-NE 3.48Å; D586-R636 IonicContact OD1-NH2 2.7Å; D586-R636 PolarHBondContact OD1-NH2 2.92Å; D586-R636 IonicContact OD2-CZ 2.74Å; D586-R636 IonicContact OD2-NE 3.3Å; D586-R636 IonicContact OD2-NH2 2.75Å; D586-R636 PolarHBondContact OD2-NH2 3.48Å; D634-R636 VanDerWaalsContact C-N 3.31Å; D634-R636 WeakPolarHBondContact OD1-CB 3.49Å; D634-R636 PolarHBondContact OD1-N 3.07Å; D634-R636 WeakPolarHBondContact OD2-CB 3.19Å; R636-L638 VanDerWaalsContact C-N 3.29Å; R636-L638 PolarHBondContact O-N 2.89Å; R636-R639 PolarHBondContact O-N 3.34Å; R636-R640 WeakPolarHBondContact O-CB 3.09Å; R636-R640 PolarHBondContact O-N 3.45Å
637P94.1Very high92.1Very high33 Ų3360.9 Ų60.921%0.21428%0.275CS..Hα-helixtrans-63.2-33.5175.5-20.533.1000112.8Y577 L613 F615 D634 E635 R640 L641Y577-P637 WeakPolarHBondContact CE2-O 3.49Å; L613-P637 HydrophobicContact CD2-CB 4.07Å; F615-P637 HydrophobicContact CE2-CB 4Å; F615-P637 HydrophobicContact CE2-CG 4.25Å; F615-P637 HydrophobicContact CZ-CB 4.38Å; F615-P637 HydrophobicContact CZ-CG 4.33Å; D634-P637 WeakPolarHBondContact O-CD 3.44Å; E635-P637 VanDerWaalsContact C-CD 3.48Å; P637-R640 WeakPolarHBondContact O-CB 3.44Å; P637-R640 PolarHBondContact O-N 2.92Å; P637-L641 PolarHBondContact O-N 3.01Å
638L94.8Very high92.1Very high2 Ų254.8 Ų54.81%0.0125%0.254CS..Hα-helixtrans-73.8-35.8176.1-64.2176.8000112I590 W592 L595 L613 F615 Y619 I620 E635 R636 R640 L641 Y642I590-L638 HydrophobicContact CD1-CB 4.08Å; W592-L638 HydrophobicContact CH2-CD1 4.3Å; W592-L638 HydrophobicContact CZ3-CD1 3.91Å; L595-L638 HydrophobicContact CD2-CB 4.34Å; L613-L638 HydrophobicContact CD1-CD2 4.2Å; F615-L638 HydrophobicContact CD1-CD1 3.77Å; F615-L638 HydrophobicContact CD1-CG 4.29Å; F615-L638 HydrophobicContact CD2-CD2 4.04Å; F615-L638 HydrophobicContact CD2-CG 4.2Å; F615-L638 HydrophobicContact CE1-CD1 3.53Å; F615-L638 HydrophobicContact CE1-CG 3.88Å; F615-L638 HydrophobicContact CE2-CD1 4.34Å; F615-L638 HydrophobicContact CE2-CD2 4.06Å; F615-L638 HydrophobicContact CE2-CG 3.81Å; F615-L638 HydrophobicContact CG-CD1 4.26Å; F615-L638 HydrophobicContact CG-CD2 4.36Å; F615-L638 HydrophobicContact CG-CG 4.44Å; F615-L638 HydrophobicContact CZ-CD1 3.85Å; F615-L638 HydrophobicContact CZ-CD2 4.36Å; F615-L638 HydrophobicContact CZ-CG 3.63Å; Y619-L638 HydrophobicContact CD1-CD1 4.04Å; Y619-L638 HydrophobicContact CE1-CD1 4.07Å; I620-L638 HydrophobicContact CD1-CD2 4.07Å; I620-L638 HydrophobicContact CG1-CD1 4.15Å; I620-L638 HydrophobicContact CG1-CD2 4.2Å; E635-L638 PolarHBondContact O-N 3.35Å; R636-L638 VanDerWaalsContact C-N 3.29Å; R636-L638 PolarHBondContact O-N 2.89Å; L638-R640 VanDerWaalsContact C-N 3.31Å; L638-L641 PolarHBondContact O-N 3.33Å; L638-Y642 WeakPolarHBondContact O-CB 3.46Å; L638-Y642 PolarHBondContact O-N 3.22Å
639R95.9Very high92Very high51 Ų5150.3 Ų50.319%0.19222%0.224CC..Hα-helixtrans-62.1-42.4170.6-72.9-167-59.3-82.82.3110.7V585 I588 I590 E635 R636 Y642 V643V585-R639 HydrophobicContact CG1-CB 3.9Å; V585-R639 WeakPolarHBondContact O-CB 3.37Å; V585-R639 WeakPolarHBondContact O-CD 3.43Å; V585-R639 PolarHBondContact O-NE 3.45Å; I588-R639 HydrophobicContact CG2-CB 4.09Å; I588-R639 HydrophobicContact CG2-CG 4.31Å; I588-R639 WeakPolarHBondContact O-CD 3.22Å; I590-R639 HydrophobicContact CD1-CB 4.24Å; I590-R639 HydrophobicContact CD1-CG 3.48Å; I590-R639 VanDerWaalsContact CD1-CG 3.48Å; I590-R639 HydrophobicContact CG1-CB 4.46Å; I590-R639 HydrophobicContact CG1-CG 3.65Å; E635-R639 PolarHBondContact O-N 3.48Å; R636-R639 PolarHBondContact O-N 3.34Å; R639-Y642 WeakPolarHBondContact O-CB 3.48Å; R639-Y642 PolarHBondContact O-N 2.58Å; R639-V643 WeakPolarHBondContact O-CG2 3.47Å; R639-V643 PolarHBondContact O-N 2.93Å
640R95.7Very high91.9Very high32 Ų3248.1 Ų48.112%0.12121%0.212CC..Hα-helixtrans-61.2-45.2175.6-164.8176.9-179179.98.6111.8D559 Y577 L578 A580 V585 R636 P637 L638 V643 A644D559-R640 IonicContact OD2-CZ 3.77Å; D559-R640 VanDerWaalsContact OD2-CZ 3.29Å; D559-R640 IonicContact OD2-NH1 3.6Å; D559-R640 PolarHBondContact OD2-NH1 3.43Å; D559-R640 IonicContact OD2-NH2 2.99Å; D559-R640 PolarHBondContact OD2-NH2 2.93Å; Y577-R640 HydrophobicContact CD2-CB 4.08Å; Y577-R640 HydrophobicContact CD2-CG 3.78Å; Y577-R640 HydrophobicContact CE2-CB 3.71Å; Y577-R640 HydrophobicContact CE2-CG 3.72Å; Y577-R640 HydrophobicContact CG-CG 4.28Å; Y577-R640 PolarHBondContact O-NE 2.92Å; L578-R640 PolarHBondContact O-NH2 3.46Å; A580-R640 HydrophobicContact CB-CG 3.67Å; V585-R640 HydrophobicContact CG1-CB 4.04Å; V585-R640 HydrophobicContact CG2-CB 4.16Å; V585-R640 HydrophobicContact CG2-CG 4.17Å; R636-R640 WeakPolarHBondContact O-CB 3.09Å; R636-R640 PolarHBondContact O-N 3.45Å; P637-R640 WeakPolarHBondContact O-CB 3.44Å; P637-R640 PolarHBondContact O-N 2.92Å; L638-R640 VanDerWaalsContact C-N 3.31Å; R640-V643 PolarHBondContact O-N 3.21Å; R640-A644 WeakPolarHBondContact O-CB 3.4Å; R640-A644 PolarHBondContact O-N 3.43Å
641L94.9Very high91.8Very high2 Ų239.2 Ų39.21%0.0117%0.173CC..Hα-helixtrans-61.5-42.6173.5179.863000112L573 Y577 L595 I599 L609 L613 P637 L638 V643 A644 L645L573-L641 HydrophobicContact CD1-CD1 4.39Å; L573-L641 HydrophobicContact CD2-CD1 4.41Å; Y577-L641 HydrophobicContact CD2-CB 4.31Å; Y577-L641 HydrophobicContact CE2-CB 4.46Å; L595-L641 HydrophobicContact CD1-CD2 4.39Å; I599-L641 HydrophobicContact CD1-CD2 3.95Å; I599-L641 HydrophobicContact CG1-CD2 4.49Å; L609-L641 HydrophobicContact CD2-CD1 3.79Å; L613-L641 HydrophobicContact CD1-CB 4.25Å; L613-L641 HydrophobicContact CD1-CD2 3.82Å; P637-L641 PolarHBondContact O-N 3.01Å; L638-L641 PolarHBondContact O-N 3.33Å; L641-V643 VanDerWaalsContact C-N 3.35Å; L641-V643 PolarHBondContact O-N 3Å; L641-A644 WeakPolarHBondContact O-CB 3.37Å; L641-A644 PolarHBondContact O-N 3.43Å; L641-A644 VanDerWaalsContact O-N 3.16Å; L641-L645 HydrophobicContact CD1-CD1 4.44Å; L641-L645 HydrophobicContact CD1-CG 4.22Å; L641-L645 HydrophobicContact CG-CD1 4.08Å; L641-L645 HydrophobicContact CG-CG 4.34Å; L641-L645 WeakPolarHBondContact O-CG 3.44Å; L641-L645 PolarHBondContact O-N 3.45Å
642Y96.1Very high90.9Very high1 Ų134.6 Ų34.60%0.00416%0.16CC..Hα-helixtrans-59.1-44.7178-171.7-98.4000112.1I588 I590 D591 L594 L595 L638 R639 L645 A646 Y666 F668I588-Y642 HydrophobicContact CG1-CD1 4.12Å; I588-Y642 HydrophobicContact CG1-CE1 4.22Å; I590-Y642 HydrophobicContact CG2-CD2 3.96Å; I590-Y642 HydrophobicContact CG2-CE2 4.29Å; I590-Y642 HydrophobicContact CG2-CG 4.42Å; D591-Y642 HydrophobicContact CB-CE2 4.3Å; L594-Y642 HydrophobicContact CD2-CE2 4.02Å; L595-Y642 HydrophobicContact CB-CD2 4.22Å; L595-Y642 HydrophobicContact CD1-CD2 4.31Å; L638-Y642 WeakPolarHBondContact O-CB 3.46Å; L638-Y642 PolarHBondContact O-N 3.22Å; R639-Y642 WeakPolarHBondContact O-CB 3.48Å; R639-Y642 PolarHBondContact O-N 2.58Å; Y642-L645 PolarHBondContact O-N 3.31Å; Y642-A646 PolarHBondContact O-N 3.04Å; Y642-Y666 HydrophobicContact CD1-CD1 4.37Å; Y642-Y666 HydrophobicContact CD2-CD1 4.28Å; Y642-Y666 AromaticContact CE1-CD1 3.95Å; Y642-Y666 HydrophobicContact CE1-CD1 3.95Å; Y642-Y666 AromaticContact CE2-CD1 3.86Å; Y642-Y666 HydrophobicContact CE2-CD1 3.86Å; Y642-Y666 HydrophobicContact CE2-CE1 4.38Å; Y642-Y666 AromaticContact CZ-CD1 3.69Å; Y642-Y666 WeakPolarHBondContact OH-CA 3.44Å; Y642-Y666 PolarHBondContact OH-O 3.11Å; Y642-F668 HydrophobicContact CE1-CE2 4.44Å
643V96.2Very high89.5Confident1 Ų133.5 Ų33.51%0.00616%0.161CC..Hα-helixtrans-64-43.7173.8176.20000111A580 V584 V585 I588 R639 R640 L641 L645 A646 L647 F668 T676A580-V643 HydrophobicContact CB-CB 4.47Å; A580-V643 HydrophobicContact CB-CG1 4.21Å; V584-V643 HydrophobicContact CG1-CG2 4.03Å; V585-V643 HydrophobicContact CG2-CG2 4.21Å; I588-V643 HydrophobicContact CG2-CG2 3.98Å; R639-V643 WeakPolarHBondContact O-CG2 3.47Å; R639-V643 PolarHBondContact O-N 2.93Å; R640-V643 PolarHBondContact O-N 3.21Å; L641-V643 VanDerWaalsContact C-N 3.35Å; L641-V643 PolarHBondContact O-N 3Å; V643-L645 VanDerWaalsContact C-N 3.34Å; V643-L645 PolarHBondContact O-N 3.36Å; V643-A646 WeakPolarHBondContact O-CB 3.39Å; V643-A646 PolarHBondContact O-N 3.43Å; V643-L647 HydrophobicContact CG1-CD1 4.31Å; V643-L647 WeakPolarHBondContact O-CG 3.47Å; V643-L647 PolarHBondContact O-N 2.96Å; V643-F668 HydrophobicContact CG2-CZ 4.48Å; V643-T676 HydrophobicContact CG1-CG2 3.84Å
644A94.7Very high87.6Confident0 Ų042.2 Ų42.20%019%0.19CC..Hα-helixtrans-62.1-39.517900000112.6L573 L576 R640 L641 L647 A648L573-A644 HydrophobicContact CD1-CB 3.93Å; L576-A644 HydrophobicContact CB-CB 4.12Å; R640-A644 WeakPolarHBondContact O-CB 3.4Å; R640-A644 PolarHBondContact O-N 3.43Å; L641-A644 WeakPolarHBondContact O-CB 3.37Å; L641-A644 PolarHBondContact O-N 3.43Å; L641-A644 VanDerWaalsContact O-N 3.16Å; A644-L647 PolarHBondContact O-N 2.9Å; A644-A648 VanDerWaalsContact O-CB 3.29Å; A644-A648 WeakPolarHBondContact O-CB 3.45Å; A644-A648 PolarHBondContact O-N 3.3Å
645L93.3Very high85.7Confident9 Ų938.1 Ų38.15%0.04717%0.17CC..Hα-helixtrans-63.5-43.5175.3-73.9169000111.7L573 L595 R598 L641 Y642 V643 L647 A648 E649 Y666L573-L645 HydrophobicContact CD1-CD2 3.83Å; L573-L645 HydrophobicContact CD1-CG 4.15Å; L573-L645 HydrophobicContact CD2-CD2 4Å; L595-L645 HydrophobicContact CD1-CD1 3.67Å; R598-L645 HydrophobicContact CB-CD1 4.16Å; L641-L645 HydrophobicContact CD1-CD1 4.44Å; L641-L645 HydrophobicContact CD1-CG 4.22Å; L641-L645 HydrophobicContact CG-CD1 4.08Å; L641-L645 HydrophobicContact CG-CG 4.34Å; L641-L645 WeakPolarHBondContact O-CG 3.44Å; L641-L645 PolarHBondContact O-N 3.45Å; Y642-L645 PolarHBondContact O-N 3.31Å; V643-L645 VanDerWaalsContact C-N 3.34Å; V643-L645 PolarHBondContact O-N 3.36Å; L645-L647 VanDerWaalsContact C-N 3.33Å; L645-L647 PolarHBondContact O-N 2.9Å; L645-A648 PolarHBondContact O-N 3.44Å; L645-E649 PolarHBondContact O-N 3.31Å; L645-Y666 HydrophobicContact CB-CE1 3.88Å
646A92.8Very high84Confident1 Ų140.7 Ų40.71%0.00819%0.187CC..Hα-helixtrans-59.5-44174.700000111.6Y642 V643 V662 Y666 F668 L673Y642-A646 PolarHBondContact O-N 3.04Å; V643-A646 WeakPolarHBondContact O-CB 3.39Å; V643-A646 PolarHBondContact O-N 3.43Å; A646-V662 HydrophobicContact CB-CG1 4.43Å; A646-V662 WeakPolarHBondContact O-CG1 3.33Å; A646-Y666 HydrophobicContact CB-CD1 3.78Å; A646-Y666 HydrophobicContact CB-CD2 4.04Å; A646-Y666 HydrophobicContact CB-CE1 4.17Å; A646-Y666 HydrophobicContact CB-CE2 4.41Å; A646-Y666 HydrophobicContact CB-CG 3.71Å; A646-F668 HydrophobicContact CB-CE2 4.24Å; A646-L673 HydrophobicContact CB-CD1 4.3Å
647L92.2Very high82.8Confident0 Ų037.5 Ų37.50%018%0.178CC..Hα-helixtrans-68.3-34.1175.7-64.6176.8000112.5L576 V643 A644 L645 E649 L650 W651 T676 L677 A680L576-L647 HydrophobicContact CD1-CB 4.14Å; L576-L647 HydrophobicContact CD2-CB 3.86Å; L576-L647 HydrophobicContact CD2-CD1 4.28Å; L576-L647 HydrophobicContact CG-CB 4.46Å; V643-L647 HydrophobicContact CG1-CD1 4.31Å; V643-L647 WeakPolarHBondContact O-CG 3.47Å; V643-L647 PolarHBondContact O-N 2.96Å; A644-L647 PolarHBondContact O-N 2.9Å; L645-L647 VanDerWaalsContact C-N 3.33Å; L645-L647 PolarHBondContact O-N 2.9Å; L647-E649 VanDerWaalsContact C-N 3.35Å; L647-L650 WeakPolarHBondContact O-CB 3.48Å; L647-L650 PolarHBondContact O-N 2.81Å; L647-W651 PolarHBondContact O-N 3.19Å; L647-T676 HydrophobicContact CD2-CG2 4.36Å; L647-L677 HydrophobicContact CD2-CB 4.02Å; L647-L677 HydrophobicContact CD2-CD1 3.96Å; L647-A680 HydrophobicContact CD1-CB 3.83Å
648A90.2Very high81.8Confident11 Ų1136.4 Ų36.49%0.09117%0.171CC..Hα-helixtrans-67.3-36.2179.900000111.7L573 L576 A644 L645 L650 W651 Q652L573-A648 HydrophobicContact CD1-CB 3.98Å; L576-A648 VanDerWaalsContact CD1-CA 3.41Å; L576-A648 HydrophobicContact CD1-CB 3.65Å; A644-A648 VanDerWaalsContact O-CB 3.29Å; A644-A648 WeakPolarHBondContact O-CB 3.45Å; A644-A648 PolarHBondContact O-N 3.3Å; L645-A648 PolarHBondContact O-N 3.44Å; A648-L650 VanDerWaalsContact C-N 3.26Å; A648-L650 PolarHBondContact O-N 3Å; A648-W651 PolarHBondContact O-N 2.96Å; A648-W651 VanDerWaalsContact O-N 3.16Å; A648-Q652 PolarHBondContact O-N 2.77Å
649E86.7Confident81.1Confident6 Ų637.5 Ų37.53%0.02818%0.177CC..Hα-helixtrans-64.2-31.8173.1-72.8-166-166.400112.3R598 L645 L647 S655 V662 R665 Y666R598-E649 IonicContact CZ-OE1 4Å; R598-E649 IonicContact NE-OE1 2.67Å; R598-E649 IonicContact NH1-OE1 3.07Å; R598-E649 PolarHBondContact NH1-OE1 3.44Å; L645-E649 PolarHBondContact O-N 3.31Å; L647-E649 VanDerWaalsContact C-N 3.35Å; E649-S655 PolarHBondContact O-OG 3.22Å; E649-V662 HydrophobicContact CB-CG1 4.18Å; E649-V662 HydrophobicContact CB-CG2 3.95Å; E649-R665 IonicContact OE1-CZ 3.29Å; E649-R665 IonicContact OE1-NH1 2.67Å; E649-R665 PolarHBondContact OE1-NH1 2.85Å; E649-R665 IonicContact OE2-NH1 3.14Å; E649-Y666 VanDerWaalsContact CD-CE2 3.5Å; E649-Y666 HydrophobicContact CG-CE2 4.32Å; E649-Y666 WeakPolarHBondContact OE1-CE2 3.2Å; E649-Y666 PolarHBondContact OE1-OH 3.1Å
650L84.4Confident80.3Confident2 Ų237.4 Ų37.41%0.0118%0.177CC..Hα-helixtrans-77.8-22.9173.6-62.7178.1000113.6L647 A648 L659 V662 L673 L677 C718L647-L650 WeakPolarHBondContact O-CB 3.48Å; L647-L650 PolarHBondContact O-N 2.81Å; A648-L650 VanDerWaalsContact C-N 3.26Å; A648-L650 PolarHBondContact O-N 3Å; L650-L659 HydrophobicContact CD2-CB 4.44Å; L650-V662 HydrophobicContact CD2-CB 3.99Å; L650-V662 HydrophobicContact CD2-CG1 4.3Å; L650-V662 HydrophobicContact CD2-CG2 3.77Å; L650-V662 HydrophobicContact CG-CB 4.49Å; L650-V662 HydrophobicContact CG-CG1 4.26Å; L650-V662 HydrophobicContact CG-CG2 4.42Å; L650-L673 HydrophobicContact CD1-CD1 4.11Å; L650-L673 HydrophobicContact CD1-CD2 4.01Å; L650-L673 HydrophobicContact CD1-CG 3.95Å; L650-L673 HydrophobicContact CD2-CD2 4.49Å; L650-L677 HydrophobicContact CD1-CD2 4.39Å; L650-C718 WeakPolarHBondContact O-CB 3.37Å
651W82.2Confident79.6Confident35 Ų3539.7 Ų39.713%0.13319%0.186CC..Hα-helixtrans-79.7-37.9-174.7176.4-80.3000113.6P572 L576 L647 A648 N653 F711 K714 L715P572-W651 HydrophobicContact CB-CD2 3.93Å; P572-W651 HydrophobicContact CB-CG 3.83Å; P572-W651 HydrophobicContact CB-CZ2 4.49Å; P572-W651 HydrophobicContact CG-CB 4.28Å; P572-W651 HydrophobicContact CG-CD2 4.4Å; P572-W651 HydrophobicContact CG-CG 3.77Å; L576-W651 HydrophobicContact CD1-CB 4.44Å; L647-W651 PolarHBondContact O-N 3.19Å; A648-W651 PolarHBondContact O-N 2.96Å; A648-W651 VanDerWaalsContact O-N 3.16Å; W651-N653 PolarHBondContact O-N 3.4Å; W651-N653 VanDerWaalsContact O-N 3.12Å; W651-F711 HydrophobicContact CE3-CE2 4.2Å; W651-F711 AromaticContact CH2-CD2 3.25Å; W651-F711 HydrophobicContact CH2-CD2 3.25Å; W651-F711 AromaticContact CH2-CE2 3.43Å; W651-F711 HydrophobicContact CH2-CE2 3.43Å; W651-F711 VanDerWaalsContact CH2-CE2 3.43Å; W651-F711 HydrophobicContact CH2-CG 4.08Å; W651-F711 HydrophobicContact CH2-CZ 4.39Å; W651-F711 WeakPolarHBondContact CH2-O 3.16Å; W651-F711 AromaticContact CZ2-CD2 3.82Å; W651-F711 HydrophobicContact CZ2-CD2 3.82Å; W651-F711 AromaticContact CZ2-CE2 3.9Å; W651-F711 HydrophobicContact CZ2-CE2 3.9Å; W651-F711 AromaticContact CZ3-CD2 3.81Å; W651-F711 HydrophobicContact CZ3-CD2 3.81Å; W651-F711 AromaticContact CZ3-CE2 3.6Å; W651-F711 HydrophobicContact CZ3-CE2 3.6Å; W651-F711 HydrophobicContact CZ3-CZ 4.17Å; W651-K714 HydrophobicContact CH2-CB 3.4Å; W651-K714 VanDerWaalsContact CH2-CB 3.4Å; W651-K714 HydrophobicContact CH2-CD 4.35Å; W651-K714 HydrophobicContact CZ2-CB 4.04Å; W651-K714 HydrophobicContact CZ2-CD 4.3Å; W651-K714 HydrophobicContact CZ3-CB 3.92Å; W651-L715 HydrophobicContact CE3-CB 4.34Å; W651-L715 HydrophobicContact CE3-CD1 3.75Å; W651-L715 VanDerWaalsContact CZ3-CA 3.49Å; W651-L715 HydrophobicContact CZ3-CB 3.71Å; W651-L715 HydrophobicContact CZ3-CD1 3.98Å; W651-L715 HydrophobicContact CZ3-CG 4.44Å; W651-L715 VanDerWaalsContact CZ3-N 3.34Å
652Q67.9Low79.3Confident101 Ų10139.6 Ų39.647%0.47219%0.185SC..  trans-52.6121.8-166.9-74.1170.514.300111.5A648 R654 S655A648-Q652 PolarHBondContact O-N 2.77Å; Q652-R654 PolarHBondContact O-N 3.18Å; Q652-S655 PolarHBondContact O-N 3.11Å; Q652-S655 PolarHBondContact O-OG 2.85Å
653N56.5Low78.9Confident126 Ų12639.6 Ų39.667%0.67419%0.185SC*.THydrogen-bonded Turntrans-53.8-19.6-179.4-69.7-20.3000114.1W651W651-N653 PolarHBondContact O-N 3.4Å; W651-N653 VanDerWaalsContact O-N 3.12Å
654R50.8Low78.6Confident236 Ų23644.3 Ų44.389%0.89121%0.207SC*.THydrogen-bonded Turntrans-106.1-11.1176.4-75.3-147.4-86.8-119.53114.6Q652 T656Q652-R654 PolarHBondContact O-N 3.18Å; R654-T656 PolarHBondContact O-N 3.18Å
655S52.8Low78.3Confident21 Ų2147.9 Ų47.915%0.14722%0.221CC..  trans-73.8105.5179.370.90000109E649 Q652 L657E649-S655 PolarHBondContact O-OG 3.22Å; Q652-S655 PolarHBondContact O-N 3.11Å; Q652-S655 PolarHBondContact O-OG 2.85Å; S655-L657 PolarHBondContact O-N 3.12Å
656T56.9Low78.3Confident75 Ų7547.5 Ų47.546%0.4622%0.219SC..  trans-74.217.8160500000111.2R654 P658R654-T656 PolarHBondContact O-N 3.18Å; T656-P658 WeakPolarHBondContact O-CD 3.49Å
657L69.9Low78.2Confident42 Ų4254.1 Ų54.122%0.2225%0.247CC..  trans-73.3119.7-175.9-67.9179.9000108.4S655 Y661 V662S655-L657 PolarHBondContact O-N 3.12Å; L657-Y661 HydrophobicContact CB-CD1 4.36Å; L657-Y661 HydrophobicContact CD1-CD1 4.24Å; L657-Y661 HydrophobicContact CD1-CE1 4.17Å; L657-Y661 HydrophobicContact CD2-CD1 3.99Å; L657-Y661 HydrophobicContact CD2-CE1 4.08Å; L657-Y661 HydrophobicContact CG-CD1 4.43Å; L657-V662 HydrophobicContact CB-CG2 4.36Å
658P72.5Confident78.2Confident10 Ų1055.1 Ų55.17%0.06525%0.252CS..  trans-63.9145.2-178.822.7-30.1000109.4E302 T656 W660 Y661 V662E302-P658 WeakPolarHBondContact OE2-CA 3.42Å; E302-P658 VanDerWaalsContact OE2-CB 3.25Å; E302-P658 WeakPolarHBondContact OE2-CB 3.27Å; T656-P658 WeakPolarHBondContact O-CD 3.49Å; P658-W660 PolarHBondContact O-N 3.03Å; P658-Y661 WeakPolarHBondContact O-CB 3.39Å; P658-Y661 PolarHBondContact O-N 3.1Å; P658-V662 PolarHBondContact O-N 3.37Å
659L80.4Confident78.2Confident26 Ų2656.7 Ų56.714%0.13626%0.262CS..Hα-helixtrans-48-33.3175.4176.9142.9000111.4T333 L650 A663 R670 L673 Q674T333-L659 HydrophobicContact CG2-CD2 3.92Å; L650-L659 HydrophobicContact CD2-CB 4.44Å; L659-A663 WeakPolarHBondContact O-CB 3.29Å; L659-A663 PolarHBondContact O-N 3.35Å; L659-R670 HydrophobicContact CD2-CB 3.9Å; L659-R670 HydrophobicContact CD2-CG 4.35Å; L659-L673 HydrophobicContact CG-CD2 4.4Å; L659-Q674 HydrophobicContact CD1-CB 4.12Å
660W79Confident78.2Confident49 Ų4957.7 Ų57.719%0.18627%0.265CS..Hα-helixtrans-73.4-37.6-179.1-168.426.8000114.9Q311 T312 H313 P658 V662 A663 E664 R670Q311-W660 HydrophobicContact CB-CH2 4.46Å; Q311-W660 WeakPolarHBondContact O-CH2 3.4Å; Q311-W660 WeakPolarHBondContact O-CZ3 3.26Å; T312-W660 WeakPolarHBondContact O-CZ3 3.26Å; H313-W660 VanDerWaalsContact C-CH2 3.48Å; H313-W660 WeakPolarHBondContact O-CH2 3.45Å; H313-W660 WeakPolarHBondContact O-CZ2 2.9Å; P658-W660 PolarHBondContact O-N 3.03Å; W660-V662 VanDerWaalsContact C-N 3.28Å; W660-V662 PolarHBondContact O-N 2.8Å; W660-A663 PolarHBondContact O-N 2.95Å; W660-E664 PolarHBondContact O-N 3.23Å; W660-R670 HydrophobicContact CB-CG 4.37Å; W660-R670 HydrophobicContact CG-CG 3.99Å
661Y81.3Confident78.4Confident79 Ų7957.8 Ų57.831%0.3127%0.267SS..Hα-helixtrans-59.7-44.6173.7173.4-93.7000110.4L657 P658 R665L657-Y661 HydrophobicContact CB-CD1 4.36Å; L657-Y661 HydrophobicContact CD1-CD1 4.24Å; L657-Y661 HydrophobicContact CD1-CE1 4.17Å; L657-Y661 HydrophobicContact CD2-CD1 3.99Å; L657-Y661 HydrophobicContact CD2-CE1 4.08Å; L657-Y661 HydrophobicContact CG-CD1 4.43Å; P658-Y661 WeakPolarHBondContact O-CB 3.39Å; P658-Y661 PolarHBondContact O-N 3.1Å; Y661-R665 WeakPolarHBondContact O-CB 3.45Å; Y661-R665 PolarHBondContact O-N 2.94Å; Y661-R665 PolarHBondContact OH-NH1 2.95Å
662V87.6Confident78.9Confident0 Ų058 Ų580%027%0.274CS..Hα-helixtrans-66.4-41.4177-175.50000110.9A646 E649 L650 L657 P658 W660 R665 Y666 L673A646-V662 HydrophobicContact CB-CG1 4.43Å; A646-V662 WeakPolarHBondContact O-CG1 3.33Å; E649-V662 HydrophobicContact CB-CG1 4.18Å; E649-V662 HydrophobicContact CB-CG2 3.95Å; L650-V662 HydrophobicContact CD2-CB 3.99Å; L650-V662 HydrophobicContact CD2-CG1 4.3Å; L650-V662 HydrophobicContact CD2-CG2 3.77Å; L650-V662 HydrophobicContact CG-CB 4.49Å; L650-V662 HydrophobicContact CG-CG1 4.26Å; L650-V662 HydrophobicContact CG-CG2 4.42Å; L657-V662 HydrophobicContact CB-CG2 4.36Å; P658-V662 PolarHBondContact O-N 3.37Å; W660-V662 VanDerWaalsContact C-N 3.28Å; W660-V662 PolarHBondContact O-N 2.8Å; V662-R665 PolarHBondContact O-N 3.03Å; V662-Y666 HydrophobicContact CG1-CD2 3.85Å; V662-Y666 HydrophobicContact CG1-CE2 4.15Å; V662-Y666 WeakPolarHBondContact O-CD2 3.05Å; V662-Y666 PolarHBondContact O-N 2.67Å; V662-L673 HydrophobicContact CB-CD2 3.87Å; V662-L673 HydrophobicContact CG1-CD2 3.75Å
663A89.3Confident80Confident1 Ų153.1 Ų53.11%0.00825%0.251CS..Hα-helixtrans-60.5-50.5178.700000111.9L659 W660 K667 F668 R670 L673L659-A663 WeakPolarHBondContact O-CB 3.29Å; L659-A663 PolarHBondContact O-N 3.35Å; W660-A663 PolarHBondContact O-N 2.95Å; A663-K667 PolarHBondContact O-N 3.39Å; A663-K667 VanDerWaalsContact O-N 3.08Å; A663-F668 CarbonylContact C-O 3.52Å; A663-F668 HydrophobicContact CB-CB 4.38Å; A663-F668 PolarHBondContact O-N 2.86Å; A663-R670 HydrophobicContact CB-CG 4.19Å; A663-L673 HydrophobicContact CB-CB 4.26Å; A663-L673 HydrophobicContact CB-CD2 3.86Å
664E88.4Confident81.5Confident100 Ų10048.3 Ų48.347%0.46723%0.225SC..Hα-helixtrans-61.6-47.9178.1-176.6175.8-166.700111.5W660 Y666 K667W660-E664 PolarHBondContact O-N 3.23Å; E664-Y666 VanDerWaalsContact C-N 3.35Å; E664-Y666 PolarHBondContact O-N 2.88Å; E664-K667 PolarHBondContact O-N 2.99Å; E664-K667 VanDerWaalsContact O-N 3.08Å
665R89.2Confident83.4Confident75 Ų7540.3 Ų40.328%0.28321%0.205SC..Hα-helixtrans-56.1-47.8-179.5-173.7175.8-169.61698.9111.9L594 E649 Y661 V662 K667L594-R665 HydrophobicContact CD1-CG 3.93Å; L594-R665 HydrophobicContact CD2-CG 4.09Å; L594-R665 WeakPolarHBondContact CD2-O 3.36Å; E649-R665 IonicContact OE1-CZ 3.29Å; E649-R665 IonicContact OE1-NH1 2.67Å; E649-R665 PolarHBondContact OE1-NH1 2.85Å; E649-R665 IonicContact OE2-NH1 3.14Å; Y661-R665 WeakPolarHBondContact O-CB 3.45Å; Y661-R665 PolarHBondContact O-N 2.94Å; Y661-R665 PolarHBondContact OH-NH1 2.95Å; V662-R665 PolarHBondContact O-N 3.03Å; R665-K667 VanDerWaalsContact C-N 3.3Å; R665-K667 PolarHBondContact O-N 2.99Å
666Y93.2Very high85.3Confident1 Ų139.6 Ų39.60%0.00420%0.199CC..THydrogen-bonded Turntrans-91.515.9-179-69.1-98000113.5L594 Y642 L645 A646 E649 V662 E664 F668L594-Y666 HydrophobicContact CD2-CD1 3.92Å; L594-Y666 HydrophobicContact CD2-CE1 4.14Å; L594-Y666 HydrophobicContact CD2-CG 4.13Å; Y642-Y666 HydrophobicContact CD1-CD1 4.37Å; Y642-Y666 HydrophobicContact CD2-CD1 4.28Å; Y642-Y666 AromaticContact CE1-CD1 3.95Å; Y642-Y666 HydrophobicContact CE1-CD1 3.95Å; Y642-Y666 AromaticContact CE2-CD1 3.86Å; Y642-Y666 HydrophobicContact CE2-CD1 3.86Å; Y642-Y666 HydrophobicContact CE2-CE1 4.38Å; Y642-Y666 AromaticContact CZ-CD1 3.69Å; Y642-Y666 WeakPolarHBondContact OH-CA 3.44Å; Y642-Y666 PolarHBondContact OH-O 3.11Å; L645-Y666 HydrophobicContact CB-CE1 3.88Å; A646-Y666 HydrophobicContact CB-CD1 3.78Å; A646-Y666 HydrophobicContact CB-CD2 4.04Å; A646-Y666 HydrophobicContact CB-CE1 4.17Å; A646-Y666 HydrophobicContact CB-CE2 4.41Å; A646-Y666 HydrophobicContact CB-CG 3.71Å; E649-Y666 VanDerWaalsContact CD-CE2 3.5Å; E649-Y666 HydrophobicContact CG-CE2 4.32Å; E649-Y666 WeakPolarHBondContact OE1-CE2 3.2Å; E649-Y666 PolarHBondContact OE1-OH 3.1Å; V662-Y666 HydrophobicContact CG1-CD2 3.85Å; V662-Y666 HydrophobicContact CG1-CE2 4.15Å; V662-Y666 WeakPolarHBondContact O-CD2 3.05Å; V662-Y666 PolarHBondContact O-N 2.67Å; E664-Y666 VanDerWaalsContact C-N 3.35Å; E664-Y666 PolarHBondContact O-N 2.88Å; Y666-F668 VanDerWaalsContact O-CD2 3.28Å; Y666-F668 WeakPolarHBondContact O-CD2 3.25Å; Y666-F668 PolarHBondContact O-N 3.4Å; Y666-F668 VanDerWaalsContact O-N 3.13Å
667K91.7Very high86.9Confident140 Ų14036.6 Ų36.661%0.60918%0.181SC*.THydrogen-bonded Turntrans54.130.8179.2-59.1-176.7-179.71680114.5D591 A663 E664 R665D591-K667 HydrophobicContact CB-CD 4.44Å; D591-K667 WeakPolarHBondContact OD2-CE 3.47Å; D591-K667 IonicContact OD2-NZ 2.79Å; D591-K667 PolarHBondContact OD2-NZ 3.42Å; A663-K667 PolarHBondContact O-N 3.39Å; A663-K667 VanDerWaalsContact O-N 3.08Å; E664-K667 PolarHBondContact O-N 2.99Å; E664-K667 VanDerWaalsContact O-N 3.08Å; R665-K667 VanDerWaalsContact C-N 3.3Å; R665-K667 PolarHBondContact O-N 2.99Å
668F91.5Very high87.8Confident22 Ų2237.6 Ų37.610%0.09619%0.188CC..  trans-88.1147.8167.8-75.6-88000110.6V584 I588 Y642 V643 A646 A663 Y666 L673V584-F668 HydrophobicContact CG1-CE1 4Å; V584-F668 HydrophobicContact CG1-CZ 4.28Å; I588-F668 HydrophobicContact CD1-CD1 4.28Å; I588-F668 HydrophobicContact CD1-CE1 3.65Å; I588-F668 HydrophobicContact CD1-CE2 3.94Å; I588-F668 HydrophobicContact CD1-CZ 3.45Å; I588-F668 VanDerWaalsContact CD1-CZ 3.45Å; I588-F668 HydrophobicContact CG1-CE1 4.41Å; I588-F668 HydrophobicContact CG1-CE2 4.39Å; I588-F668 HydrophobicContact CG1-CZ 3.85Å; Y642-F668 HydrophobicContact CE1-CE2 4.44Å; V643-F668 HydrophobicContact CG2-CZ 4.48Å; A646-F668 HydrophobicContact CB-CE2 4.24Å; A663-F668 CarbonylContact C-O 3.52Å; A663-F668 HydrophobicContact CB-CB 4.38Å; A663-F668 PolarHBondContact O-N 2.86Å; Y666-F668 VanDerWaalsContact O-CD2 3.28Å; Y666-F668 WeakPolarHBondContact O-CD2 3.25Å; Y666-F668 PolarHBondContact O-N 3.4Å; Y666-F668 VanDerWaalsContact O-N 3.13Å; F668-L673 HydrophobicContact CB-CB 3.9Å; F668-L673 HydrophobicContact CD2-CD1 4.39Å; F668-L673 HydrophobicContact CG-CB 4.26Å; F668-L673 HydrophobicContact CG-CD1 4.46Å
669S90.2Very high88.6Confident43 Ų4339.6 Ų39.630%0.30120%0.203SC..  trans-69.5150.7155.882.10000109.3G331 G671 S672 L673G331-S669 WeakPolarHBondContact CA-OG 3.44Å; S669-G671 VanDerWaalsContact C-N 3.34Å; S669-G671 PolarHBondContact O-N 2.9Å; S669-S672 WeakPolarHBondContact O-CA 3.39Å; S669-S672 WeakPolarHBondContact O-CB 3.48Å; S669-S672 PolarHBondContact O-N 2.87Å; S669-S672 WeakPolarHBondContact OG-CB 3.32Å; S669-S672 PolarHBondContact OG-N 3.08Å; S669-S672 VanDerWaalsContact OG-N 3.1Å; S669-S672 PolarHBondContact OG-OG 3.34Å; S669-L673 PolarHBondContact O-N 3.25Å
670R86.5Confident89.3Confident27 Ų2738.4 Ų38.410%0.10220%0.196CC..Hα-helixtrans-56.8-47.7-178.3-62.6173.7-64.2176.815.4112.3T333 E336 L659 W660 A663 S672 L673 Q674T333-R670 HydrophobicContact CG2-CB 3.82Å; E336-R670 VanDerWaalsContact CD-CZ 3.41Å; E336-R670 IonicContact OE1-CZ 3.6Å; E336-R670 IonicContact OE1-NE 3.78Å; E336-R670 IonicContact OE1-NH1 3.89Å; E336-R670 PolarHBondContact OE1-NH1 2.8Å; E336-R670 IonicContact OE1-NH2 3.89Å; E336-R670 PolarHBondContact OE1-NH2 2.98Å; E336-R670 IonicContact OE2-CZ 2.82Å; E336-R670 IonicContact OE2-NE 2.83Å; E336-R670 IonicContact OE2-NH1 2.89Å; E336-R670 IonicContact OE2-NH2 3.48Å; E336-R670 PolarHBondContact OE2-NH2 3.34Å; L659-R670 HydrophobicContact CD2-CB 3.9Å; L659-R670 HydrophobicContact CD2-CG 4.35Å; W660-R670 HydrophobicContact CB-CG 4.37Å; W660-R670 HydrophobicContact CG-CG 3.99Å; A663-R670 HydrophobicContact CB-CG 4.19Å; R670-S672 VanDerWaalsContact C-N 3.31Å; R670-S672 PolarHBondContact O-N 3.09Å; R670-L673 PolarHBondContact O-N 3.02Å; R670-Q674 WeakPolarHBondContact O-CB 3.19Å; R670-Q674 PolarHBondContact O-N 2.96Å
671G89Confident89.8Confident5 Ų536.1 Ų36.15%0.05219%0.188CC..Hα-helixtrans-62.1-37.5174.900000112.5S330 G331 L332 S669 Q674 S675S330-G671 CarbonylContact O-C 3.57Å; S330-G671 WeakPolarHBondContact O-CA 3.26Å; G331-G671 PolarHBondContact O-N 2.99Å; L332-G671 WeakPolarHBondContact O-CA 3.38Å; S669-G671 VanDerWaalsContact C-N 3.34Å; S669-G671 PolarHBondContact O-N 2.9Å; G671-Q674 PolarHBondContact O-N 3.17Å; G671-S675 VanDerWaalsContact O-CB 3.26Å; G671-S675 WeakPolarHBondContact O-CB 3.29Å; G671-S675 PolarHBondContact O-N 2.83Å
672S91.6Very high90.2Very high38 Ų3834.3 Ų34.327%0.26619%0.187SC..Hα-helixtrans-63.4-46.8173.8-680000112.2S669 R670 Q674 S675 T676S669-S672 WeakPolarHBondContact O-CA 3.39Å; S669-S672 WeakPolarHBondContact O-CB 3.48Å; S669-S672 PolarHBondContact O-N 2.87Å; S669-S672 WeakPolarHBondContact OG-CB 3.32Å; S669-S672 PolarHBondContact OG-N 3.08Å; S669-S672 VanDerWaalsContact OG-N 3.1Å; S669-S672 PolarHBondContact OG-OG 3.34Å; R670-S672 VanDerWaalsContact C-N 3.31Å; R670-S672 PolarHBondContact O-N 3.09Å; S672-Q674 PolarHBondContact O-N 2.92Å; S672-S675 WeakPolarHBondContact O-CB 3.03Å; S672-S675 PolarHBondContact O-N 3.03Å; S672-T676 PolarHBondContact O-N 2.82Å; S672-T676 PolarHBondContact O-OG1 3.47Å
673L92.1Very high90.4Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-63.4-42.5178.2-178.359.3000111.5A646 L650 L659 V662 A663 F668 S669 R670 S675 T676 L677A646-L673 HydrophobicContact CB-CD1 4.3Å; L650-L673 HydrophobicContact CD1-CD1 4.11Å; L650-L673 HydrophobicContact CD1-CD2 4.01Å; L650-L673 HydrophobicContact CD1-CG 3.95Å; L650-L673 HydrophobicContact CD2-CD2 4.49Å; L659-L673 HydrophobicContact CG-CD2 4.4Å; V662-L673 HydrophobicContact CB-CD2 3.87Å; V662-L673 HydrophobicContact CG1-CD2 3.75Å; A663-L673 HydrophobicContact CB-CB 4.26Å; A663-L673 HydrophobicContact CB-CD2 3.86Å; F668-L673 HydrophobicContact CB-CB 3.9Å; F668-L673 HydrophobicContact CD2-CD1 4.39Å; F668-L673 HydrophobicContact CG-CB 4.26Å; F668-L673 HydrophobicContact CG-CD1 4.46Å; S669-L673 PolarHBondContact O-N 3.25Å; R670-L673 PolarHBondContact O-N 3.02Å; L673-S675 VanDerWaalsContact C-N 3.34Å; L673-S675 PolarHBondContact O-N 3.09Å; L673-T676 WeakPolarHBondContact O-CB 3.5Å; L673-T676 PolarHBondContact O-N 2.9Å; L673-L677 PolarHBondContact O-N 3.26Å
674Q88.1Confident90.5Very high25 Ų2535.8 Ų35.812%0.11720%0.195CC..Hα-helixtrans-62.8-40.3174.7-173.2-179.660.700112.1T333 E335 L659 R670 G671 S672 L677 T678T333-Q674 VanDerWaalsContact CA-OE1 3.31Å; E335-Q674 PolarHBondContact OE1-NE2 3.47Å; E335-Q674 PolarHBondContact OE2-NE2 2.94Å; L659-Q674 HydrophobicContact CD1-CB 4.12Å; R670-Q674 WeakPolarHBondContact O-CB 3.19Å; R670-Q674 PolarHBondContact O-N 2.96Å; G671-Q674 PolarHBondContact O-N 3.17Å; S672-Q674 PolarHBondContact O-N 2.92Å; Q674-L677 PolarHBondContact O-N 2.8Å; Q674-T678 WeakPolarHBondContact O-CB 2.92Å; Q674-T678 PolarHBondContact O-N 2.78Å; Q674-T678 PolarHBondContact O-OG1 3.27Å
675S89.5Confident90.6Very high68 Ų6833.4 Ų33.448%0.47619%0.185SC..Hα-helixtrans-64.1-45174.8-172.20000111G671 S672 L673 L677 T678 S679G671-S675 VanDerWaalsContact O-CB 3.26Å; G671-S675 WeakPolarHBondContact O-CB 3.29Å; G671-S675 PolarHBondContact O-N 2.83Å; S672-S675 WeakPolarHBondContact O-CB 3.03Å; S672-S675 PolarHBondContact O-N 3.03Å; L673-S675 VanDerWaalsContact C-N 3.34Å; L673-S675 PolarHBondContact O-N 3.09Å; S675-L677 VanDerWaalsContact C-N 3.32Å; S675-L677 PolarHBondContact O-N 2.8Å; S675-T678 PolarHBondContact O-N 3.25Å; S675-S679 WeakPolarHBondContact O-CB 2.95Å; S675-S679 PolarHBondContact O-N 2.92Å; S675-S679 PolarHBondContact O-OG 2.88Å; S675-S679 VanDerWaalsContact O-OG 3.1Å
676T93.4Very high90.7Very high5 Ų531.2 Ų31.23%0.03118%0.182CC..Hα-helixtrans-57.8-45.6175.7-60.80000110.9P581 V584 V643 L647 S672 L673 T678 S679 A680P581-T676 HydrophobicContact CG-CG2 4.33Å; V584-T676 HydrophobicContact CB-CG2 4.47Å; V584-T676 HydrophobicContact CG1-CG2 4.07Å; V584-T676 HydrophobicContact CG2-CG2 4.24Å; V643-T676 HydrophobicContact CG1-CG2 3.84Å; L647-T676 HydrophobicContact CD2-CG2 4.36Å; S672-T676 PolarHBondContact O-N 2.82Å; S672-T676 PolarHBondContact O-OG1 3.47Å; L673-T676 WeakPolarHBondContact O-CB 3.5Å; L673-T676 PolarHBondContact O-N 2.9Å; T676-T678 PolarHBondContact O-N 2.64Å; T676-S679 PolarHBondContact O-N 3.16Å; T676-A680 VanDerWaalsContact O-CB 3.29Å; T676-A680 WeakPolarHBondContact O-CB 3.26Å; T676-A680 PolarHBondContact O-N 3.02Å
677L91.2Very high90.7Very high13 Ų1331.2 Ų31.27%0.06818%0.181CC..Hα-helixtrans-60.2-45.3176.117563.7000111.9L647 L650 L673 Q674 S675 A680 A681 L715 C718L647-L677 HydrophobicContact CD2-CB 4.02Å; L647-L677 HydrophobicContact CD2-CD1 3.96Å; L650-L677 HydrophobicContact CD1-CD2 4.39Å; L673-L677 PolarHBondContact O-N 3.26Å; Q674-L677 PolarHBondContact O-N 2.8Å; S675-L677 VanDerWaalsContact C-N 3.32Å; S675-L677 PolarHBondContact O-N 2.8Å; L677-A680 PolarHBondContact O-N 3.31Å; L677-A681 WeakPolarHBondContact O-CB 3.44Å; L677-A681 PolarHBondContact O-N 2.93Å; L677-L715 HydrophobicContact CD1-CD1 3.6Å; L677-L715 HydrophobicContact CD1-CG 4.02Å; L677-C718 WeakPolarHBondContact CD1-SG 3.32Å; L677-C718 VanDerWaalsContact CD2-SG 3.51Å
678T87.8Confident90.8Very high62 Ų6224.7 Ų24.738%0.3815%0.154SC..Hα-helixtrans-64-43.5178.9-56.10000111.4Q674 S675 T676 A681 S682Q674-T678 WeakPolarHBondContact O-CB 2.92Å; Q674-T678 PolarHBondContact O-N 2.78Å; Q674-T678 PolarHBondContact O-OG1 3.27Å; S675-T678 PolarHBondContact O-N 3.25Å; T676-T678 PolarHBondContact O-N 2.64Å; T678-A681 PolarHBondContact O-N 3.44Å; T678-S682 WeakPolarHBondContact O-CB 3.45Å; T678-S682 PolarHBondContact O-N 3.44Å
679S90.5Very high90.8Very high53 Ų5326.1 Ų26.137%0.37116%0.159SC..Hα-helixtrans-64.3-40.4175.9-62.90000112S675 T676 S682 L683S675-S679 WeakPolarHBondContact O-CB 2.95Å; S675-S679 PolarHBondContact O-N 2.92Å; S675-S679 PolarHBondContact O-OG 2.88Å; S675-S679 VanDerWaalsContact O-OG 3.1Å; T676-S679 PolarHBondContact O-N 3.16Å; S679-S682 PolarHBondContact O-N 3.2Å; S679-L683 WeakPolarHBondContact O-CB 3.31Å; S679-L683 PolarHBondContact O-N 3.29Å
680A93.3Very high90.9Very high0 Ų024.1 Ų24.10%015%0.145CC..Hα-helixtrans-63.9-44.6176.600000111.3I579 P581 L647 T676 L677 L683 A684 L715I579-A680 HydrophobicContact CD1-CB 4.1Å; P581-A680 HydrophobicContact CG-CB 3.95Å; L647-A680 HydrophobicContact CD1-CB 3.83Å; T676-A680 VanDerWaalsContact O-CB 3.29Å; T676-A680 WeakPolarHBondContact O-CB 3.26Å; T676-A680 PolarHBondContact O-N 3.02Å; L677-A680 PolarHBondContact O-N 3.31Å; A680-L683 PolarHBondContact O-N 3.42Å; A680-A684 VanDerWaalsContact O-CB 3.3Å; A680-A684 WeakPolarHBondContact O-CB 3.1Å; A680-A684 PolarHBondContact O-N 2.98Å; A680-L715 HydrophobicContact CB-CD2 4.07Å
681A90.9Very high91.3Very high2 Ų222.9 Ų22.92%0.01714%0.141CC..Hα-helixtrans-63.1-40.7174.600000112.5L677 T678 A684 N685 L715 A716L677-A681 WeakPolarHBondContact O-CB 3.44Å; L677-A681 PolarHBondContact O-N 2.93Å; T678-A681 PolarHBondContact O-N 3.44Å; A681-A684 PolarHBondContact O-N 3.44Å; A681-N685 WeakPolarHBondContact O-CB 3.23Å; A681-N685 PolarHBondContact O-N 3.47Å; A681-L715 HydrophobicContact CB-CB 4.4Å; A681-L715 HydrophobicContact CB-CD2 4.34Å; A681-L715 HydrophobicContact CB-CG 4.17Å; A681-A716 HydrophobicContact CB-CB 4.11Å
682S88.3Confident91.5Very high41 Ų4124.6 Ų24.629%0.28715%0.154SC..Hα-helixtrans-63.1-46.7175.6-170.20000111.6T678 S679 N685 S686T678-S682 WeakPolarHBondContact O-CB 3.45Å; T678-S682 PolarHBondContact O-N 3.44Å; S679-S682 PolarHBondContact O-N 3.2Å; S682-N685 PolarHBondContact O-N 3.14Å; S682-S686 PolarHBondContact O-N 3.03Å; S682-S686 PolarHBondContact O-OG 3.45Å
683L91.7Very high91.5Very high31 Ų3124.5 Ų24.516%0.16215%0.153CC..Hα-helixtrans-62.5-43177.2178.758.1000111.3L556 S679 A680 N685 S686 L687L556-L683 HydrophobicContact CD1-CD1 4.27Å; S679-L683 WeakPolarHBondContact O-CB 3.31Å; S679-L683 PolarHBondContact O-N 3.29Å; A680-L683 PolarHBondContact O-N 3.42Å; L683-N685 VanDerWaalsContact C-N 3.31Å; L683-N685 PolarHBondContact O-N 3.1Å; L683-S686 PolarHBondContact O-N 3.16Å; L683-L687 HydrophobicContact CD1-CD1 3.96Å; L683-L687 HydrophobicContact CD1-CG 4.18Å; L683-L687 HydrophobicContact CG-CD1 3.88Å; L683-L687 WeakPolarHBondContact O-CB 3.34Å; L683-L687 WeakPolarHBondContact O-CG 3.28Å; L683-L687 PolarHBondContact O-N 2.94Å
684A93.3Very high91.6Very high0 Ų025.4 Ų25.40%016%0.158CC..Hα-helixtrans-59.9-41.3175.600000112I579 A680 A681 L687 A688 A712I579-A684 HydrophobicContact CB-CB 4.45Å; I579-A684 HydrophobicContact CD1-CB 3.97Å; I579-A684 HydrophobicContact CG2-CB 4.15Å; A680-A684 VanDerWaalsContact O-CB 3.3Å; A680-A684 WeakPolarHBondContact O-CB 3.1Å; A680-A684 PolarHBondContact O-N 2.98Å; A681-A684 PolarHBondContact O-N 3.44Å; A684-L687 PolarHBondContact O-N 2.94Å; A684-A688 WeakPolarHBondContact O-CB 3.01Å; A684-A688 PolarHBondContact O-N 3.39Å; A684-A712 HydrophobicContact CB-CB 3.67Å
685N90.4Very high91.9Very high51 Ų5124.4 Ų24.427%0.27315%0.153SC..Hα-helixtrans-67.7-42.7177.4-17174.8000112.2A681 S682 L683 A688 Y689 A712A681-N685 WeakPolarHBondContact O-CB 3.23Å; A681-N685 PolarHBondContact O-N 3.47Å; S682-N685 PolarHBondContact O-N 3.14Å; L683-N685 VanDerWaalsContact C-N 3.31Å; L683-N685 PolarHBondContact O-N 3.1Å; N685-A688 PolarHBondContact O-N 3.08Å; N685-Y689 PolarHBondContact O-N 2.67Å; N685-Y689 VanDerWaalsContact O-N 3.07Å; N685-A712 HydrophobicContact CB-CB 4.38Å
686S90.5Very high92.1Very high29 Ų2923.3 Ų23.320%0.20315%0.145CC..Hα-helixtrans-60.8-44.8174.2-77.70000112G546 S682 L683 Y689 A690G546-S686 WeakPolarHBondContact O-CB 3.01Å; G546-S686 PolarHBondContact O-OG 3.36Å; S682-S686 PolarHBondContact O-N 3.03Å; S682-S686 PolarHBondContact O-OG 3.45Å; L683-S686 PolarHBondContact O-N 3.16Å; S686-Y689 PolarHBondContact O-N 3.23Å; S686-A690 WeakPolarHBondContact O-CB 3.43Å; S686-A690 PolarHBondContact O-N 3.42Å
687L93.4Very high92Very high0 Ų029 Ų290%018%0.18CC..Hα-helixtrans-66.9-40.7176.3-76.7165.2000112.1I548 L556 F560 I579 L683 A684 Y689 A690 L691 L708I548-L687 HydrophobicContact CD1-CD2 3.61Å; I548-L687 HydrophobicContact CD1-CG 3.92Å; L556-L687 HydrophobicContact CB-CD2 4.32Å; L556-L687 HydrophobicContact CD1-CD2 4.31Å; F560-L687 HydrophobicContact CE2-CD1 3.83Å; F560-L687 HydrophobicContact CE2-CD2 4.23Å; F560-L687 HydrophobicContact CZ-CD1 4.2Å; I579-L687 HydrophobicContact CG2-CD1 4.09Å; L683-L687 HydrophobicContact CD1-CD1 3.96Å; L683-L687 HydrophobicContact CD1-CG 4.18Å; L683-L687 HydrophobicContact CG-CD1 3.88Å; L683-L687 WeakPolarHBondContact O-CB 3.34Å; L683-L687 WeakPolarHBondContact O-CG 3.28Å; L683-L687 PolarHBondContact O-N 2.94Å; A684-L687 PolarHBondContact O-N 2.94Å; L687-Y689 VanDerWaalsContact C-N 3.32Å; L687-Y689 PolarHBondContact O-N 2.91Å; L687-A690 PolarHBondContact O-N 3.31Å; L687-L691 WeakPolarHBondContact O-CB 3.22Å; L687-L691 WeakPolarHBondContact O-CG 3.48Å; L687-L691 PolarHBondContact O-N 3.09Å; L687-L708 HydrophobicContact CB-CD1 3.99Å
688A93.3Very high92.2Very high4 Ų429.7 Ų29.73%0.03318%0.184CC..Hα-helixtrans-56.4-48.1175.800000110.9A684 N685 A692 L708 P709A684-A688 WeakPolarHBondContact O-CB 3.01Å; A684-A688 PolarHBondContact O-N 3.39Å; N685-A688 PolarHBondContact O-N 3.08Å; A688-A692 WeakPolarHBondContact O-CB 3.49Å; A688-A692 PolarHBondContact O-N 3.41Å; A688-L708 HydrophobicContact CB-CB 3.73Å; A688-P709 HydrophobicContact CB-CB 4.46Å; A688-P709 HydrophobicContact CB-CG 4.03Å
689Y91.1Very high92.3Very high52 Ų5231.8 Ų31.820%0.20420%0.201CC..Hα-helixtrans-67.8-41.5178.5-174.5-121.7000112.6I50 K545 N685 S686 L687 S693I50-Y689 HydrophobicContact CG2-CD1 4.35Å; I50-Y689 HydrophobicContact CG2-CE1 3.79Å; I50-Y689 HydrophobicContact CG2-CE2 4.36Å; K545-Y689 HydrophobicContact CB-CD1 4.17Å; K545-Y689 HydrophobicContact CB-CE1 3.77Å; K545-Y689 WeakPolarHBondContact O-CD1 3.44Å; K545-Y689 WeakPolarHBondContact O-CE1 3.4Å; N685-Y689 PolarHBondContact O-N 2.67Å; N685-Y689 VanDerWaalsContact O-N 3.07Å; S686-Y689 PolarHBondContact O-N 3.23Å; L687-Y689 VanDerWaalsContact C-N 3.32Å; L687-Y689 PolarHBondContact O-N 2.91Å; Y689-S693 VanDerWaalsContact O-CB 3.31Å; Y689-S693 WeakPolarHBondContact O-CB 3.47Å; Y689-S693 PolarHBondContact O-N 2.86Å; Y689-S693 PolarHBondContact O-OG 2.93Å
690A93.5Very high92.4Very high1 Ų132.6 Ų32.61%0.00820%0.199CC..Hα-helixtrans-60.5-47.217600000112.4A542 I548 S686 L687 S693 E694A542-A690 HydrophobicContact CB-CB 4.14Å; A542-A690 WeakPolarHBondContact O-CB 3.22Å; I548-A690 HydrophobicContact CD1-CB 4.09Å; S686-A690 WeakPolarHBondContact O-CB 3.43Å; S686-A690 PolarHBondContact O-N 3.42Å; L687-A690 PolarHBondContact O-N 3.31Å; A690-S693 PolarHBondContact O-OG 3.22Å; A690-S693 VanDerWaalsContact O-OG 3.09Å; A690-E694 PolarHBondContact O-N 2.92Å
691L95Very high92.5Very high1 Ų132.6 Ų32.61%0.00520%0.199CC..Hα-helixtrans-72.4-42.1179.9-64.4-172.8000112.2V557 F560 L687 S693 F695 S696 L701 F704 A705 L708V557-L691 HydrophobicContact CG2-CD2 4.49Å; F560-L691 HydrophobicContact CD1-CD1 4.45Å; F560-L691 HydrophobicContact CG-CD1 4.47Å; L687-L691 WeakPolarHBondContact O-CB 3.22Å; L687-L691 WeakPolarHBondContact O-CG 3.48Å; L687-L691 PolarHBondContact O-N 3.09Å; L691-S693 VanDerWaalsContact C-N 3.28Å; L691-S693 PolarHBondContact O-N 2.78Å; L691-F695 HydrophobicContact CD2-CB 4.23Å; L691-F695 HydrophobicContact CD2-CD2 3.63Å; L691-F695 HydrophobicContact CD2-CE2 4.27Å; L691-F695 HydrophobicContact CD2-CG 4.15Å; L691-F695 CarbonylContact O-C 3.56Å; L691-F695 VanDerWaalsContact O-C 3.26Å; L691-F695 VanDerWaalsContact O-CA 3.25Å; L691-F695 WeakPolarHBondContact O-CA 3.27Å; L691-F695 WeakPolarHBondContact O-CB 3.38Å; L691-F695 PolarHBondContact O-N 3.5Å; L691-S696 PolarHBondContact O-N 3.05Å; L691-S696 VanDerWaalsContact O-N 3.15Å; L691-L701 HydrophobicContact CD2-CD1 4.49Å; L691-F704 HydrophobicContact CD1-CB 3.72Å; L691-A705 HydrophobicContact CB-CB 4.17Å; L691-L708 HydrophobicContact CD1-CD1 3.74Å
692A93.5Very high92.6Very high40 Ų4039.1 Ų39.133%0.33122%0.223SC..Hα-helixtrans-61.6-36.8177.600000112.8A688 S696A688-A692 WeakPolarHBondContact O-CB 3.49Å; A688-A692 PolarHBondContact O-N 3.41Å; A692-S696 VanDerWaalsContact O-CB 3.29Å; A692-S696 WeakPolarHBondContact O-CB 3.41Å; A692-S696 PolarHBondContact O-OG 3.38Å
693S91.1Very high92.8Very high37 Ų3739 Ų3926%0.25923%0.225SC..Hα-helixtrans-77.7-37.1-177.355.60000114.3K545 Y689 A690 L691K545-S693 WeakPolarHBondContact CD-OG 3.45Å; Y689-S693 VanDerWaalsContact O-CB 3.31Å; Y689-S693 WeakPolarHBondContact O-CB 3.47Å; Y689-S693 PolarHBondContact O-N 2.86Å; Y689-S693 PolarHBondContact O-OG 2.93Å; A690-S693 PolarHBondContact O-OG 3.22Å; A690-S693 VanDerWaalsContact O-OG 3.09Å; L691-S693 VanDerWaalsContact C-N 3.28Å; L691-S693 PolarHBondContact O-N 2.78Å
694E93.7Very high93Very high19 Ų1937.8 Ų37.89%0.08922%0.219CC..Hα-helixtrans-116.1-18.4-172.3-63.5-60.8145.700114.7R541 A542 K545 A690R541-E694 HydrophobicContact CB-CG 3.92Å; R541-E694 IonicContact CZ-OE2 3.94Å; R541-E694 VanDerWaalsContact CZ-OE2 3.24Å; R541-E694 IonicContact NE-OE1 2.58Å; R541-E694 PolarHBondContact NE-OE1 2.87Å; R541-E694 IonicContact NE-OE2 3.11Å; R541-E694 PolarHBondContact NE-OE2 3.07Å; R541-E694 IonicContact NH2-OE2 3.24Å; R541-E694 PolarHBondContact NH2-OE2 2.9Å; A542-E694 HydrophobicContact CB-CB 4.19Å; A542-E694 HydrophobicContact CB-CG 4.07Å; K545-E694 WeakPolarHBondContact CE-OE1 3.49Å; K545-E694 IonicContact NZ-OE1 2.81Å; K545-E694 PolarHBondContact NZ-OE1 2.83Å; A690-E694 PolarHBondContact O-N 2.92Å
695F95.5Very high93Very high4 Ų438 Ų382%0.01822%0.22CC..SBendtrans-12712.6-171-61-79.3000113.8K538 A542 L691 T697 D698 L701 W702K538-F695 HydrophobicContact CB-CE1 4.27Å; K538-F695 HydrophobicContact CB-CZ 4.18Å; A542-F695 HydrophobicContact CB-CD2 4.36Å; A542-F695 HydrophobicContact CB-CE2 3.66Å; L691-F695 HydrophobicContact CD2-CB 4.23Å; L691-F695 HydrophobicContact CD2-CD2 3.63Å; L691-F695 HydrophobicContact CD2-CE2 4.27Å; L691-F695 HydrophobicContact CD2-CG 4.15Å; L691-F695 CarbonylContact O-C 3.56Å; L691-F695 VanDerWaalsContact O-C 3.26Å; L691-F695 VanDerWaalsContact O-CA 3.25Å; L691-F695 WeakPolarHBondContact O-CA 3.27Å; L691-F695 WeakPolarHBondContact O-CB 3.38Å; L691-F695 PolarHBondContact O-N 3.5Å; F695-T697 PolarHBondContact O-N 2.91Å; F695-D698 HydrophobicContact CB-CB 3.94Å; F695-D698 HydrophobicContact CD1-CB 3.98Å; F695-D698 HydrophobicContact CG-CB 4.48Å; F695-D698 WeakPolarHBondContact O-CB 3.34Å; F695-D698 PolarHBondContact O-N 3.22Å; F695-D698 VanDerWaalsContact O-N 3.12Å; F695-L701 HydrophobicContact CB-CB 3.98Å; F695-L701 HydrophobicContact CB-CD1 4.33Å; F695-L701 HydrophobicContact CD1-CD1 3.7Å; F695-L701 HydrophobicContact CE1-CD1 4.1Å; F695-L701 HydrophobicContact CG-CD1 3.99Å; F695-W702 WeakPolarHBondContact O-CA 3.26Å; F695-W702 PolarHBondContact O-N 3.03Å
696S92.6Very high93.1Very high45 Ų4541.6 Ų41.632%0.31524%0.235SC..THydrogen-bonded Turntrans-61.7-27.4176.147.80000113.7L691 A692 W702L691-S696 PolarHBondContact O-N 3.05Å; L691-S696 VanDerWaalsContact O-N 3.15Å; A692-S696 VanDerWaalsContact O-CB 3.29Å; A692-S696 WeakPolarHBondContact O-CB 3.41Å; A692-S696 PolarHBondContact O-OG 3.38Å; S696-W702 VanDerWaalsContact O-CB 3.25Å; S696-W702 WeakPolarHBondContact O-CB 3.4Å
697T92.3Very high93.1Very high124 Ų12443.8 Ų43.876%0.76124%0.244SC*.THydrogen-bonded Turntrans-107.210.7176700000112.9F695F695-T697 PolarHBondContact O-N 2.91Å
698D94Very high93.1Very high27 Ų2743.8 Ų43.814%0.14424%0.244CC..  trans-76.4136.1180-176.1-80.6000110.6F695 E700 L701 W702F695-D698 HydrophobicContact CB-CB 3.94Å; F695-D698 HydrophobicContact CD1-CB 3.98Å; F695-D698 HydrophobicContact CG-CB 4.48Å; F695-D698 WeakPolarHBondContact O-CB 3.34Å; F695-D698 PolarHBondContact O-N 3.22Å; F695-D698 VanDerWaalsContact O-N 3.12Å; D698-E700 VanDerWaalsContact C-N 3.26Å; D698-E700 PolarHBondContact O-N 3.42Å; D698-E700 PolarHBondContact OD1-N 2.91Å; D698-L701 HydrophobicContact CB-CB 4.08Å; D698-L701 PolarHBondContact O-N 3.46Å; D698-L701 PolarHBondContact OD1-N 2.87Å; D698-W702 VanDerWaalsContact O-CB 3.25Å; D698-W702 WeakPolarHBondContact O-CB 2.75Å; D698-W702 VanDerWaalsContact O-CD1 3.24Å; D698-W702 PolarHBondContact O-N 3.05Å; D698-W702 VanDerWaalsContact O-N 3.08Å
699S91.5Very high92.9Very high106 Ų10646.1 Ų46.174%0.74126%0.259SS*.THydrogen-bonded Turntrans-60.9-31.5-173.552.70000114.1
700E92.3Very high92.7Very high71 Ų7148.8 Ų48.833%0.33227%0.273SS..THydrogen-bonded Turntrans-99.7-33.4-178.7-62.2-173.8159.700111.9R561 A564 D698R561-E700 WeakPolarHBondContact CD-OE2 3.22Å; R561-E700 WeakPolarHBondContact CG-OE2 3.29Å; A564-E700 HydrophobicContact CB-CB 4.35Å; A564-E700 WeakPolarHBondContact CB-O 3.41Å; D698-E700 VanDerWaalsContact C-N 3.26Å; D698-E700 PolarHBondContact O-N 3.42Å; D698-E700 PolarHBondContact OD1-N 2.91Å
701L94.6Very high92.5Very high0 Ų049.4 Ų49.40%028%0.275CS..THydrogen-bonded Turntrans-102.5-9.8-167.3-62.2175.2000115.3V557 F560 R561 L691 F695 D698 A703 F704 A705V557-L701 HydrophobicContact CG1-CD1 3.75Å; F560-L701 HydrophobicContact CB-CD2 3.7Å; R561-L701 HydrophobicContact CG-CD1 4.19Å; R561-L701 HydrophobicContact CG-CD2 3.86Å; R561-L701 HydrophobicContact CG-CG 4.14Å; L691-L701 HydrophobicContact CD2-CD1 4.49Å; F695-L701 HydrophobicContact CB-CB 3.98Å; F695-L701 HydrophobicContact CB-CD1 4.33Å; F695-L701 HydrophobicContact CD1-CD1 3.7Å; F695-L701 HydrophobicContact CE1-CD1 4.1Å; F695-L701 HydrophobicContact CG-CD1 3.99Å; D698-L701 HydrophobicContact CB-CB 4.08Å; D698-L701 PolarHBondContact O-N 3.46Å; D698-L701 PolarHBondContact OD1-N 2.87Å; L701-A703 PolarHBondContact O-N 3.16Å; L701-A703 VanDerWaalsContact O-N 3.15Å; L701-F704 HydrophobicContact CD2-CD2 4.15Å; L701-F704 PolarHBondContact O-N 3.04Å; L701-A705 PolarHBondContact O-N 2.76Å
702W93.8Very high92.2Very high138 Ų13849.4 Ų49.452%0.52328%0.276SS..Hα-helixtrans-53-38.7-178.570.9-85.4000112.9F695 S696 D698 F704 A705 H706F695-W702 WeakPolarHBondContact O-CA 3.26Å; F695-W702 PolarHBondContact O-N 3.03Å; S696-W702 VanDerWaalsContact O-CB 3.25Å; S696-W702 WeakPolarHBondContact O-CB 3.4Å; D698-W702 VanDerWaalsContact O-CB 3.25Å; D698-W702 WeakPolarHBondContact O-CB 2.75Å; D698-W702 VanDerWaalsContact O-CD1 3.24Å; D698-W702 PolarHBondContact O-N 3.05Å; D698-W702 VanDerWaalsContact O-N 3.08Å; W702-F704 VanDerWaalsContact C-N 3.31Å; W702-F704 PolarHBondContact O-N 3.41Å; W702-A705 WeakPolarHBondContact O-CB 3.28Å; W702-A705 PolarHBondContact O-N 3.45Å; W702-H706 AromaticContact CE3-CD2 3.94Å; W702-H706 PolarHBondContact O-CD2 3.46Å; W702-H706 PolarHBondContact O-N 2.93Å
703A92.8Very high91.8Very high40 Ų4052.1 Ų52.133%0.33128%0.28SS..Hα-helixtrans-61.5-40.6-178.600000111.7L701 H706 L707L701-A703 PolarHBondContact O-N 3.16Å; L701-A703 VanDerWaalsContact O-N 3.15Å; A703-H706 PolarHBondContact O-N 3.19Å; A703-L707 WeakPolarHBondContact O-CB 3.41Å; A703-L707 PolarHBondContact O-N 3.21Å
704F94.8Very high91.5Very high5 Ų555.1 Ų55.12%0.02229%0.289CS..Hα-helixtrans-72.7-33.7178.4-61.6-68.5000112.4F560 A563 A564 V567 L575 L578 L691 L701 W702 H706 L707 L708F560-F704 HydrophobicContact CB-CD2 4.37Å; F560-F704 HydrophobicContact CB-CE2 4.44Å; F560-F704 HydrophobicContact CD1-CB 4.1Å; F560-F704 AromaticContact CD1-CD1 3.64Å; F560-F704 HydrophobicContact CD1-CD1 3.64Å; F560-F704 AromaticContact CD1-CD2 3.77Å; F560-F704 HydrophobicContact CD1-CD2 3.77Å; F560-F704 AromaticContact CD1-CE1 3.92Å; F560-F704 HydrophobicContact CD1-CE1 3.92Å; F560-F704 HydrophobicContact CD1-CE2 4.03Å; F560-F704 AromaticContact CD1-CG 3.56Å; F560-F704 HydrophobicContact CD1-CG 3.56Å; F560-F704 HydrophobicContact CD1-CZ 4.11Å; F560-F704 HydrophobicContact CE1-CB 4.34Å; F560-F704 AromaticContact CE1-CD1 3.79Å; F560-F704 HydrophobicContact CE1-CD1 3.79Å; F560-F704 HydrophobicContact CE1-CE1 4.23Å; F560-F704 HydrophobicContact CE1-CG 4.03Å; F560-F704 WeakPolarHBondContact O-CE2 3.33Å; A563-F704 HydrophobicContact CB-CZ 4.24Å; A564-F704 HydrophobicContact CB-CE2 3.87Å; V567-F704 HydrophobicContact CB-CZ 4.35Å; V567-F704 HydrophobicContact CG2-CE1 4.01Å; V567-F704 HydrophobicContact CG2-CZ 4.09Å; L575-F704 HydrophobicContact CD2-CD1 4.13Å; L575-F704 HydrophobicContact CD2-CE1 3.89Å; L578-F704 HydrophobicContact CD1-CE1 4.42Å; L691-F704 HydrophobicContact CD1-CB 3.72Å; L701-F704 HydrophobicContact CD2-CD2 4.15Å; L701-F704 PolarHBondContact O-N 3.04Å; W702-F704 VanDerWaalsContact C-N 3.31Å; W702-F704 PolarHBondContact O-N 3.41Å; F704-H706 PolarHBondContact O-N 3.07Å; F704-L707 PolarHBondContact O-N 2.98Å; F704-L708 HydrophobicContact CB-CD1 4.46Å; F704-L708 HydrophobicContact CB-CG 4.38Å; F704-L708 VanDerWaalsContact O-CB 3.3Å; F704-L708 WeakPolarHBondContact O-CB 2.73Å; F704-L708 WeakPolarHBondContact O-CG 3.29Å; F704-L708 PolarHBondContact O-N 2.94Å
705A93.2Very high91.1Very high3 Ų354.2 Ų54.23%0.02528%0.284CS..Hα-helixtrans-57.1-34.4173.400000112.4L691 L701 W702 P709L691-A705 HydrophobicContact CB-CB 4.17Å; L701-A705 PolarHBondContact O-N 2.76Å; W702-A705 WeakPolarHBondContact O-CB 3.28Å; W702-A705 PolarHBondContact O-N 3.45Å; A705-P709 WeakPolarHBondContact O-CD 3.41Å; A705-P709 WeakPolarHBondContact O-CG 3.41Å
706H91.8Very high90.4Very high127 Ų12755.1 Ų55.159%0.58829%0.293SS*.Hα-helixtrans-89.8-31.8175.9-65.9-68.2000114W702 A703 F704W702-H706 AromaticContact CE3-CD2 3.94Å; W702-H706 PolarHBondContact O-CD2 3.46Å; W702-H706 PolarHBondContact O-N 2.93Å; A703-H706 PolarHBondContact O-N 3.19Å; F704-H706 PolarHBondContact O-N 3.07Å
707L91.7Very high89.6Confident76 Ų7654.4 Ų54.440%0.39828%0.283SS..Hα-helixtrans-80.3-40.4-175.6-175.662000113.3L575 A703 F704 F711L575-L707 HydrophobicContact CD1-CD2 3.74Å; L575-L707 HydrophobicContact CD1-CG 4.11Å; L575-L707 HydrophobicContact CD2-CD2 4.24Å; A703-L707 WeakPolarHBondContact O-CB 3.41Å; A703-L707 PolarHBondContact O-N 3.21Å; F704-L707 PolarHBondContact O-N 2.98Å; L707-F711 WeakPolarHBondContact O-CB 3.38Å; L707-F711 PolarHBondContact O-N 3.14Å; L707-F711 VanDerWaalsContact O-N 3.14Å
708L92.4Very high88.6Confident0 Ų049 Ų490%025%0.251CS..Hα-helixtrans-64.4-37.4-173.8-72.8-176.2000115.1F560 L687 A688 L691 F704 E710 F711 A712F560-L708 HydrophobicContact CE1-CD1 3.93Å; F560-L708 HydrophobicContact CE1-CD2 4.23Å; F560-L708 HydrophobicContact CE1-CG 4.43Å; F560-L708 HydrophobicContact CZ-CD1 3.85Å; F560-L708 HydrophobicContact CZ-CD2 4.35Å; L687-L708 HydrophobicContact CB-CD1 3.99Å; A688-L708 HydrophobicContact CB-CB 3.73Å; L691-L708 HydrophobicContact CD1-CD1 3.74Å; F704-L708 HydrophobicContact CB-CD1 4.46Å; F704-L708 HydrophobicContact CB-CG 4.38Å; F704-L708 VanDerWaalsContact O-CB 3.3Å; F704-L708 WeakPolarHBondContact O-CB 2.73Å; F704-L708 WeakPolarHBondContact O-CG 3.29Å; F704-L708 PolarHBondContact O-N 2.94Å; L708-E710 PolarHBondContact O-N 2.98Å; L708-F711 HydrophobicContact CD2-CD1 4.19Å; L708-F711 PolarHBondContact O-N 2.9Å; L708-A712 WeakPolarHBondContact O-CB 3.42Å; L708-A712 PolarHBondContact O-N 2.76Å
709P89.3Confident87.1Confident52 Ų5248.5 Ų48.534%0.33825%0.248SC..Hα-helixtrans-56.6-51179.2-25.432.5000113A688 A705 A712 K713A688-P709 HydrophobicContact CB-CB 4.46Å; A688-P709 HydrophobicContact CB-CG 4.03Å; A705-P709 WeakPolarHBondContact O-CD 3.41Å; A705-P709 WeakPolarHBondContact O-CG 3.41Å; P709-A712 PolarHBondContact O-N 2.77Å; P709-K713 PolarHBondContact O-N 3.2Å
710E87.6Confident85.6Confident109 Ų10944.7 Ų44.751%0.50922%0.222SC..Hα-helixtrans-69.3-36.8178.5-74.9-58.8124.300112L708 K713 K714L708-E710 PolarHBondContact O-N 2.98Å; E710-K713 PolarHBondContact O-N 3.02Å; E710-K714 WeakPolarHBondContact O-CG 3.1Å; E710-K714 PolarHBondContact O-N 3.01Å
711F89.6Confident84.5Confident13 Ų1346 Ų466%0.05724%0.239CC..Hα-helixtrans-62.6-45.6174.6178.2-101.7000112P572 L575 L576 I579 W651 L707 L708 K714 L715P572-F711 HydrophobicContact CB-CE2 4.12Å; L575-F711 HydrophobicContact CB-CD1 4.36Å; L575-F711 HydrophobicContact CB-CD2 4.36Å; L575-F711 HydrophobicContact CB-CE1 3.8Å; L575-F711 HydrophobicContact CB-CE2 3.83Å; L575-F711 HydrophobicContact CB-CZ 3.51Å; L575-F711 HydrophobicContact CD1-CD1 4.37Å; L575-F711 HydrophobicContact CD1-CD2 3.69Å; L575-F711 HydrophobicContact CD1-CE2 3.93Å; L575-F711 HydrophobicContact CD1-CG 3.93Å; L575-F711 HydrophobicContact CD1-CZ 4.35Å; L576-F711 HydrophobicContact CD2-CZ 3.82Å; L576-F711 HydrophobicContact CG-CZ 3.94Å; I579-F711 HydrophobicContact CD1-CE1 3.67Å; I579-F711 HydrophobicContact CD1-CZ 4.34Å; I579-F711 HydrophobicContact CG1-CE1 4.06Å; W651-F711 HydrophobicContact CE3-CE2 4.2Å; W651-F711 AromaticContact CH2-CD2 3.25Å; W651-F711 HydrophobicContact CH2-CD2 3.25Å; W651-F711 AromaticContact CH2-CE2 3.43Å; W651-F711 HydrophobicContact CH2-CE2 3.43Å; W651-F711 VanDerWaalsContact CH2-CE2 3.43Å; W651-F711 HydrophobicContact CH2-CG 4.08Å; W651-F711 HydrophobicContact CH2-CZ 4.39Å; W651-F711 WeakPolarHBondContact CH2-O 3.16Å; W651-F711 AromaticContact CZ2-CD2 3.82Å; W651-F711 HydrophobicContact CZ2-CD2 3.82Å; W651-F711 AromaticContact CZ2-CE2 3.9Å; W651-F711 HydrophobicContact CZ2-CE2 3.9Å; W651-F711 AromaticContact CZ3-CD2 3.81Å; W651-F711 HydrophobicContact CZ3-CD2 3.81Å; W651-F711 AromaticContact CZ3-CE2 3.6Å; W651-F711 HydrophobicContact CZ3-CE2 3.6Å; W651-F711 HydrophobicContact CZ3-CZ 4.17Å; L707-F711 WeakPolarHBondContact O-CB 3.38Å; L707-F711 PolarHBondContact O-N 3.14Å; L707-F711 VanDerWaalsContact O-N 3.14Å; L708-F711 HydrophobicContact CD2-CD1 4.19Å; L708-F711 PolarHBondContact O-N 2.9Å; F711-K714 PolarHBondContact O-N 3.43Å; F711-L715 HydrophobicContact CE1-CD2 4.35Å; F711-L715 WeakPolarHBondContact O-CB 3.28Å; F711-L715 PolarHBondContact O-N 3.47Å
712A89.1Confident83.6Confident2 Ų250.2 Ų50.22%0.01726%0.258CS..Hα-helixtrans-63.3-42178.100000111.5A684 N685 L708 P709 L715 A716A684-A712 HydrophobicContact CB-CB 3.67Å; N685-A712 HydrophobicContact CB-CB 4.38Å; L708-A712 WeakPolarHBondContact O-CB 3.42Å; L708-A712 PolarHBondContact O-N 2.76Å; P709-A712 PolarHBondContact O-N 2.77Å; A712-L715 PolarHBondContact O-N 2.85Å; A712-A716 WeakPolarHBondContact O-CB 3.41Å; A712-A716 PolarHBondContact O-N 3.34Å
713K83.6Confident83.1Confident96 Ų9643.7 Ų43.742%0.41723%0.234SC..Hα-helixtrans-60.9-46.3175.1-173.5177.7-178.71790111.6P709 E710 Y717P709-K713 PolarHBondContact O-N 3.2Å; E710-K713 PolarHBondContact O-N 3.02Å; K713-Y717 HydrophobicContact CG-CE2 4.1Å; K713-Y717 WeakPolarHBondContact O-CD2 3.35Å; K713-Y717 WeakPolarHBondContact O-CE2 3.27Å
714K84.8Confident82.6Confident101 Ų10143.5 Ų43.544%0.43923%0.227SC..Hα-helixtrans-65-39.6175.7-73.8176.7-177175.60111.9W651 E710 F711 A716 Y717 C718W651-K714 HydrophobicContact CH2-CB 3.4Å; W651-K714 VanDerWaalsContact CH2-CB 3.4Å; W651-K714 HydrophobicContact CH2-CD 4.35Å; W651-K714 HydrophobicContact CZ2-CB 4.04Å; W651-K714 HydrophobicContact CZ2-CD 4.3Å; W651-K714 HydrophobicContact CZ3-CB 3.92Å; E710-K714 WeakPolarHBondContact O-CG 3.1Å; E710-K714 PolarHBondContact O-N 3.01Å; F711-K714 PolarHBondContact O-N 3.43Å; K714-A716 PolarHBondContact O-N 2.85Å; K714-Y717 PolarHBondContact O-N 3.37Å; K714-C718 WeakPolarHBondContact O-CA 3.37Å; K714-C718 PolarHBondContact O-N 2.85Å
715L86.9Confident82.2Confident0 Ų045.5 Ų45.50%024%0.241CC..Hα-helixtrans-64-42.1179.2-170.658.1000112.3L576 I579 W651 L677 A680 A681 F711 A712 Y717 C718L576-L715 HydrophobicContact CD2-CD1 3.68Å; L576-L715 HydrophobicContact CD2-CD2 4.29Å; I579-L715 HydrophobicContact CD1-CD2 3.08Å; W651-L715 HydrophobicContact CE3-CB 4.34Å; W651-L715 HydrophobicContact CE3-CD1 3.75Å; W651-L715 VanDerWaalsContact CZ3-CA 3.49Å; W651-L715 HydrophobicContact CZ3-CB 3.71Å; W651-L715 HydrophobicContact CZ3-CD1 3.98Å; W651-L715 HydrophobicContact CZ3-CG 4.44Å; W651-L715 VanDerWaalsContact CZ3-N 3.34Å; L677-L715 HydrophobicContact CD1-CD1 3.6Å; L677-L715 HydrophobicContact CD1-CG 4.02Å; A680-L715 HydrophobicContact CB-CD2 4.07Å; A681-L715 HydrophobicContact CB-CB 4.4Å; A681-L715 HydrophobicContact CB-CD2 4.34Å; A681-L715 HydrophobicContact CB-CG 4.17Å; F711-L715 HydrophobicContact CE1-CD2 4.35Å; F711-L715 WeakPolarHBondContact O-CB 3.28Å; F711-L715 PolarHBondContact O-N 3.47Å; A712-L715 PolarHBondContact O-N 2.85Å; L715-Y717 PolarHBondContact O-N 2.93Å; L715-C718 PolarHBondContact O-N 3.24Å; L715-C718 PolarHBondContact O-SG 3.08Å
716A80.2Confident82Confident23 Ų2345.4 Ų45.419%0.1924%0.239CC..Hα-helixtrans-53.4-30.5-179.100000113.5S46 A681 A712 K714S46-A716 VanDerWaalsContact CB-CB 3.44Å; S46-A716 VanDerWaalsContact OG-CB 3.28Å; S46-A716 WeakPolarHBondContact OG-CB 3.46Å; A681-A716 HydrophobicContact CB-CB 4.11Å; A712-A716 WeakPolarHBondContact O-CB 3.41Å; A712-A716 PolarHBondContact O-N 3.34Å; K714-A716 PolarHBondContact O-N 2.85Å
717Y74.4Confident81.7Confident29 Ų2939.6 Ų39.611%0.11421%0.213CC..Hα-helixtrans-108.6-36.6-177.7-50.8-58.9000112.5K713 K714 L715 V719 L724 M727 R734K713-Y717 HydrophobicContact CG-CE2 4.1Å; K713-Y717 WeakPolarHBondContact O-CD2 3.35Å; K713-Y717 WeakPolarHBondContact O-CE2 3.27Å; K714-Y717 PolarHBondContact O-N 3.37Å; L715-Y717 PolarHBondContact O-N 2.93Å; Y717-V719 PolarHBondContact O-N 2.73Å; Y717-L724 HydrophobicContact CD2-CD2 3.57Å; Y717-L724 HydrophobicContact CE2-CD2 4.42Å; Y717-L724 HydrophobicContact CG-CD2 4.21Å; Y717-M727 HydrophobicContact CD1-CB 3.44Å; Y717-M727 VanDerWaalsContact CD1-CB 3.44Å; Y717-M727 HydrophobicContact CD1-CE 3.91Å; Y717-M727 HydrophobicContact CD1-CG 4.23Å; Y717-M727 HydrophobicContact CD2-CB 4.47Å; Y717-M727 HydrophobicContact CE1-CB 3.76Å; Y717-M727 WeakPolarHBondContact CE1-O 3.43Å; Y717-M727 HydrophobicContact CG-CB 3.81Å; Y717-M727 HydrophobicContact CG-CE 4.46Å; Y717-M727 HydrophobicContact CG-CG 4.33Å; Y717-R734 PolarHBondContact O-NE 2.77Å; Y717-R734 PolarHBondContact O-NH2 2.9Å
718C71.6Confident81.4Confident12 Ų1237.8 Ų37.88%0.08120%0.202CC..  trans29.654-162.414.20000114.1L650 L677 K714 L715 R734L650-C718 WeakPolarHBondContact O-CB 3.37Å; L677-C718 WeakPolarHBondContact CD1-SG 3.32Å; L677-C718 VanDerWaalsContact CD2-SG 3.51Å; K714-C718 WeakPolarHBondContact O-CA 3.37Å; K714-C718 PolarHBondContact O-N 2.85Å; L715-C718 PolarHBondContact O-N 3.24Å; L715-C718 PolarHBondContact O-SG 3.08Å; C718-R734 PolarHBondContact O-NE 3.02Å; C718-R734 PolarHBondContact O-NH1 3.3Å; C718-R734 PolarHBondContact O-NH2 2.67Å; C718-R734 PolarHBondContact SG-NH2 2.98Å
719V62.4Low81.1Confident15 Ų1537.8 Ų37.89%0.09120%0.202CC..  trans-108.6165.2171.7-68.70000110Y717 L723 L724 M727 R734Y717-V719 PolarHBondContact O-N 2.73Å; V719-L723 HydrophobicContact CB-CB 3.91Å; V719-L723 HydrophobicContact CB-CD1 4.13Å; V719-L723 HydrophobicContact CG1-CB 4.45Å; V719-L723 HydrophobicContact CG1-CD1 4.34Å; V719-L723 HydrophobicContact CG2-CB 3.85Å; V719-L724 HydrophobicContact CG2-CD2 3.72Å; V719-L724 HydrophobicContact CG2-CG 4.19Å; V719-M727 HydrophobicContact CG1-CE 4.27Å; V719-M727 HydrophobicContact CG1-CG 4.05Å; V719-M727 HydrophobicContact CG1-SD 3.95Å; V719-M727 HydrophobicContact CG2-CG 3.76Å; V719-R734 HydrophobicContact CG1-CB 4.04Å; V719-R734 HydrophobicContact CG1-CG 3.46Å; V719-R734 VanDerWaalsContact CG1-CG 3.46Å
720S61.6Low80.5Confident27 Ų2735.8 Ų35.819%0.18919%0.189CC..  trans-54.8148.5164.951.50000110.4E722 L723S720-E722 WeakPolarHBondContact CB-OE1 3.4Å; S720-E722 PolarHBondContact O-N 2.99Å; S720-E722 WeakPolarHBondContact OG-CG 3.34Å; S720-E722 PolarHBondContact OG-OE1 2.98Å; S720-L723 PolarHBondContact O-N 2.81Å
721S67.7Low79.9Confident98 Ų9832 Ų3269%0.68518%0.179SC*.G310 helixtrans-57-27.8-175.448.20000113.7L723 L724S721-L723 VanDerWaalsContact C-N 3.32Å; S721-L723 PolarHBondContact O-N 2.81Å; S721-L724 PolarHBondContact O-N 2.94Å
722E77.3Confident79.5Confident88 Ų8831.3 Ų31.341%0.41118%0.176SC..G310 helixtrans-67.5-27.7177.873.5-158.8151.600113.8S720 P725 Y741S720-E722 WeakPolarHBondContact CB-OE1 3.4Å; S720-E722 PolarHBondContact O-N 2.99Å; S720-E722 WeakPolarHBondContact OG-CG 3.34Å; S720-E722 PolarHBondContact OG-OE1 2.98Å; E722-P725 WeakPolarHBondContact O-CD 3.13Å; E722-Y741 HydrophobicContact CB-CE2 3.83Å; E722-Y741 HydrophobicContact CG-CD2 4.47Å; E722-Y741 HydrophobicContact CG-CE1 4.25Å; E722-Y741 HydrophobicContact CG-CE2 3.98Å; E722-Y741 WeakPolarHBondContact OE2-CE1 3.48Å; E722-Y741 VanDerWaalsContact OE2-CZ 3.31Å; E722-Y741 PolarHBondContact OE2-OH 3.26Å
723L82.7Confident78.9Confident1 Ų134 Ų341%0.00519%0.188CC..G310 helixtrans-90.1-12.7-178-60.2178.3000112.7V719 S720 S721 P725 L726 M727 A737 R738 Y741V719-L723 HydrophobicContact CB-CB 3.91Å; V719-L723 HydrophobicContact CB-CD1 4.13Å; V719-L723 HydrophobicContact CG1-CB 4.45Å; V719-L723 HydrophobicContact CG1-CD1 4.34Å; V719-L723 HydrophobicContact CG2-CB 3.85Å; S720-L723 PolarHBondContact O-N 2.81Å; S721-L723 VanDerWaalsContact C-N 3.32Å; S721-L723 PolarHBondContact O-N 2.81Å; L723-P725 VanDerWaalsContact C-N 3.34Å; L723-L726 PolarHBondContact O-N 3.46Å; L723-M727 WeakPolarHBondContact O-CG 3.32Å; L723-M727 PolarHBondContact O-N 2.99Å; L723-A737 HydrophobicContact CB-CB 4.29Å; L723-A737 HydrophobicContact CD2-CB 4.27Å; L723-R738 HydrophobicContact CD1-CG 3.44Å; L723-R738 VanDerWaalsContact CD1-CG 3.44Å; L723-R738 HydrophobicContact CD2-CG 4.23Å; L723-R738 HydrophobicContact CG-CG 4.48Å; L723-Y741 HydrophobicContact CD2-CD1 4.45Å; L723-Y741 HydrophobicContact CD2-CD2 4.08Å; L723-Y741 HydrophobicContact CD2-CG 3.81Å
724L82.8Confident78.6Confident37 Ų3731.1 Ų31.119%0.19417%0.174CC..Hα-helixtrans-52.1-43.3-177.8-69.4173.9000113.5Y717 V719 S721 L726 M727Y717-L724 HydrophobicContact CD2-CD2 3.57Å; Y717-L724 HydrophobicContact CE2-CD2 4.42Å; Y717-L724 HydrophobicContact CG-CD2 4.21Å; V719-L724 HydrophobicContact CG2-CD2 3.72Å; V719-L724 HydrophobicContact CG2-CG 4.19Å; S721-L724 PolarHBondContact O-N 2.94Å; L724-L726 VanDerWaalsContact C-N 3.26Å; L724-L726 PolarHBondContact O-N 2.87Å; L724-M727 PolarHBondContact O-N 3.45Å
725P86Confident78.1Confident47 Ų4726.8 Ų26.831%0.30516%0.157SC..Hα-helixtrans-60-36178.6-23.735.2000113.1E722 L723 L748E722-P725 WeakPolarHBondContact O-CD 3.13Å; L723-P725 VanDerWaalsContact C-N 3.34Å; P725-L748 VanDerWaalsContact O-CD2 3.25Å; P725-L748 WeakPolarHBondContact O-CD2 3.44Å; P725-L748 WeakPolarHBondContact O-CG 3.23Å
726L88.4Confident77.9Confident0 Ų028.8 Ų28.80%016%0.164CC..Hα-helixtrans-77.6-29.4-177.3-54.6-178.2000112.3L723 L724 E728 L729 V732 A737 L740 Y745 I751L723-L726 PolarHBondContact O-N 3.46Å; L724-L726 VanDerWaalsContact C-N 3.26Å; L724-L726 PolarHBondContact O-N 2.87Å; L726-E728 PolarHBondContact O-N 3.04Å; L726-L729 WeakPolarHBondContact O-CB 3.24Å; L726-L729 PolarHBondContact O-N 2.78Å; L726-L729 VanDerWaalsContact O-N 3.15Å; L726-V732 HydrophobicContact CB-CG1 4.38Å; L726-V732 WeakPolarHBondContact O-CB 3.38Å; L726-V732 WeakPolarHBondContact O-CG1 3.3Å; L726-A737 HydrophobicContact CB-CB 4.01Å; L726-A737 HydrophobicContact CD1-CB 4.35Å; L726-A737 WeakPolarHBondContact CD1-O 3.25Å; L726-L740 HydrophobicContact CD1-CB 4.11Å; L726-Y745 VanDerWaalsContact CD1-O 3.26Å; L726-Y745 WeakPolarHBondContact CD1-O 3.32Å; L726-I751 HydrophobicContact CD2-CD1 3.58Å; L726-I751 HydrophobicContact CD2-CG1 4.44Å
727M86.4Confident78.1Confident5 Ų527.7 Ų27.73%0.02516%0.155CC..Hα-helixtrans-70-11.9-179.3-69-64.1-62.600113.9R47 Y717 V719 L723 L724 L729 K733 R734 A737R47-M727 PolarHBondContact NH2-O 3.41Å; Y717-M727 HydrophobicContact CD1-CB 3.44Å; Y717-M727 VanDerWaalsContact CD1-CB 3.44Å; Y717-M727 HydrophobicContact CD1-CE 3.91Å; Y717-M727 HydrophobicContact CD1-CG 4.23Å; Y717-M727 HydrophobicContact CD2-CB 4.47Å; Y717-M727 HydrophobicContact CE1-CB 3.76Å; Y717-M727 WeakPolarHBondContact CE1-O 3.43Å; Y717-M727 HydrophobicContact CG-CB 3.81Å; Y717-M727 HydrophobicContact CG-CE 4.46Å; Y717-M727 HydrophobicContact CG-CG 4.33Å; V719-M727 HydrophobicContact CG1-CE 4.27Å; V719-M727 HydrophobicContact CG1-CG 4.05Å; V719-M727 HydrophobicContact CG1-SD 3.95Å; V719-M727 HydrophobicContact CG2-CG 3.76Å; L723-M727 WeakPolarHBondContact O-CG 3.32Å; L723-M727 PolarHBondContact O-N 2.99Å; L724-M727 PolarHBondContact O-N 3.45Å; M727-L729 VanDerWaalsContact C-N 3.27Å; M727-K733 HydrophobicContact CE-CD 4.38Å; M727-R734 HydrophobicContact CE-CG 4.45Å; M727-A737 HydrophobicContact CG-CB 4.43Å; M727-A737 HydrophobicContact SD-CB 3.87Å
728E84.2Confident78.4Confident39 Ų3928.3 Ų28.318%0.18216%0.158CC..THydrogen-bonded Turntrans-70.2-25171.8-63.5-175.1-177.800112R47 L726 L782 K786R47-E728 PolarHBondContact NH1-O 3.23Å; R47-E728 PolarHBondContact NH2-O 2.82Å; R47-E728 VanDerWaalsContact NH2-O 3.14Å; L726-E728 PolarHBondContact O-N 3.04Å; E728-L782 HydrophobicContact CB-CD1 4.22Å; E728-K786 IonicContact OE1-NZ 3.37Å; E728-K786 PolarHBondContact OE1-NZ 3.2Å; E728-K786 WeakPolarHBondContact OE2-CE 3.44Å; E728-K786 IonicContact OE2-NZ 3.35Å; E728-K786 PolarHBondContact OE2-NZ 2.84Å
729L86.1Confident79Confident0 Ų028.6 Ų28.60%016%0.158CC..SBendtrans-70.8137.9-177.6-68.5164.7000112R47 L726 M727 G731 V732 L748 I751 I775 A778 A779 L782R47-L729 PolarHBondContact NH2-O 2.93Å; L726-L729 WeakPolarHBondContact O-CB 3.24Å; L726-L729 PolarHBondContact O-N 2.78Å; L726-L729 VanDerWaalsContact O-N 3.15Å; M727-L729 VanDerWaalsContact C-N 3.27Å; L729-G731 PolarHBondContact O-N 2.74Å; L729-V732 HydrophobicContact CB-CB 3.82Å; L729-V732 HydrophobicContact CB-CG2 3.48Å; L729-V732 VanDerWaalsContact CB-CG2 3.48Å; L729-V732 HydrophobicContact CD1-CG2 4.15Å; L729-V732 HydrophobicContact CG-CG2 4.46Å; L729-V732 PolarHBondContact O-N 3.49Å; L729-L748 HydrophobicContact CD1-CD2 3.89Å; L729-L748 HydrophobicContact CD2-CD2 3.81Å; L729-L748 HydrophobicContact CG-CD2 3.59Å; L729-I751 HydrophobicContact CD1-CD1 3.36Å; L729-I751 HydrophobicContact CD1-CG2 4.2Å; L729-I775 HydrophobicContact CD1-CG2 4.14Å; L729-A778 HydrophobicContact CD2-CB 4.21Å; L729-A779 VanDerWaalsContact CD2-CA 3.47Å; L729-A779 HydrophobicContact CD2-CB 3.62Å; L729-L782 HydrophobicContact CD2-CD1 3.97Å
730P77.7Confident80.3Confident10 Ų1027.9 Ų27.97%0.06515%0.153CC..THydrogen-bonded Turntrans-64.5132.9177.127.8-33.5000110.4V732 A778P730-V732 PolarHBondContact O-N 2.91Å; P730-A778 VanDerWaalsContact CD-CB 3.5Å; P730-A778 HydrophobicContact CG-CB 3.45Å; P730-A778 VanDerWaalsContact CG-CB 3.45Å
731G74.2Confident81.6Confident28 Ų2830 Ų3029%0.28916%0.158SC..THydrogen-bonded Turntrans76-6.1-177.500000115.5L729L729-G731 PolarHBondContact O-N 2.74Å
732V81.3Confident82.5Confident0 Ų031 Ų310%016%0.155CC..  trans-89.3120.6172.4-177.20000109.1L726 L729 P730 R736 A737 L740 I775L726-V732 HydrophobicContact CB-CG1 4.38Å; L726-V732 WeakPolarHBondContact O-CB 3.38Å; L726-V732 WeakPolarHBondContact O-CG1 3.3Å; L729-V732 HydrophobicContact CB-CB 3.82Å; L729-V732 HydrophobicContact CB-CG2 3.48Å; L729-V732 VanDerWaalsContact CB-CG2 3.48Å; L729-V732 HydrophobicContact CD1-CG2 4.15Å; L729-V732 HydrophobicContact CG-CG2 4.46Å; L729-V732 PolarHBondContact O-N 3.49Å; P730-V732 PolarHBondContact O-N 2.91Å; V732-R736 HydrophobicContact CG1-CB 4.2Å; V732-R736 HydrophobicContact CG1-CG 4.23Å; V732-R736 HydrophobicContact CG2-CG 4.43Å; V732-A737 HydrophobicContact CG1-CB 3.99Å; V732-L740 HydrophobicContact CG1-CD1 4.12Å; V732-L740 HydrophobicContact CG2-CD1 4.35Å; V732-I775 HydrophobicContact CG2-CD1 4.08Å; V732-I775 HydrophobicContact CG2-CG1 4.24Å; V732-I775 HydrophobicContact CG2-CG2 4.37Å
733K77.5Confident83Confident59 Ų5929.4 Ų29.426%0.25715%0.15SC..  trans-127.9178.3-177-65.3-74.4-168.9-177.20109.2E335 M727 A735 R736 A737E335-K733 HydrophobicContact CG-CB 3.92Å; E335-K733 HydrophobicContact CG-CG 3.98Å; E335-K733 WeakPolarHBondContact OE1-CB 3.36Å; E335-K733 WeakPolarHBondContact OE1-CD 3.16Å; E335-K733 WeakPolarHBondContact OE1-CG 3.37Å; M727-K733 HydrophobicContact CE-CD 4.38Å; K733-A735 PolarHBondContact O-N 3.29Å; K733-R736 PolarHBondContact O-N 3.07Å; K733-A737 WeakPolarHBondContact O-CB 3.33Å; K733-A737 PolarHBondContact O-N 3.16Å
734R75.8Confident83.4Confident35 Ų3531.6 Ų31.613%0.13217%0.172CC..Hα-helixtrans-48.7-53.3-168.9-54.5-159.4178.61681.2113.4Y717 C718 V719 M727 A737 R738Y717-R734 PolarHBondContact O-NE 2.77Å; Y717-R734 PolarHBondContact O-NH2 2.9Å; C718-R734 PolarHBondContact O-NE 3.02Å; C718-R734 PolarHBondContact O-NH1 3.3Å; C718-R734 PolarHBondContact O-NH2 2.67Å; C718-R734 PolarHBondContact SG-NH2 2.98Å; V719-R734 HydrophobicContact CG1-CB 4.04Å; V719-R734 HydrophobicContact CG1-CG 3.46Å; V719-R734 VanDerWaalsContact CG1-CG 3.46Å; M727-R734 HydrophobicContact CE-CG 4.45Å; R734-A737 PolarHBondContact O-N 3Å; R734-R738 PolarHBondContact O-N 2.88Å
735A74.3Confident83.9Confident10 Ų1030.7 Ų30.78%0.08317%0.166CC..Hα-helixtrans-54.5-53.4176.100000113I297 D298 K733 A737 R738 Q739I297-A735 HydrophobicContact CB-CB 4.26Å; I297-A735 HydrophobicContact CG2-CB 3.47Å; I297-A735 VanDerWaalsContact CG2-CB 3.47Å; D298-A735 WeakPolarHBondContact OD1-CB 3.36Å; K733-A735 PolarHBondContact O-N 3.29Å; A735-A737 PolarHBondContact O-N 2.96Å; A735-R738 PolarHBondContact O-N 3.31Å; A735-Q739 WeakPolarHBondContact O-CG 3.27Å; A735-Q739 PolarHBondContact O-N 3.45Å
736R82.6Confident84.1Confident41 Ų4130.5 Ų30.516%0.15517%0.165CC..Hα-helixtrans-63.9-42-179.2-169103.5-54.9166.33.4111.8V732 K733 R738 Q739 L740 F766V732-R736 HydrophobicContact CG1-CB 4.2Å; V732-R736 HydrophobicContact CG1-CG 4.23Å; V732-R736 HydrophobicContact CG2-CG 4.43Å; K733-R736 PolarHBondContact O-N 3.07Å; R736-R738 VanDerWaalsContact C-N 3.32Å; R736-R738 PolarHBondContact O-N 3.22Å; R736-Q739 WeakPolarHBondContact O-CB 3.34Å; R736-Q739 PolarHBondContact O-N 3.1Å; R736-L740 HydrophobicContact CG-CD1 4.08Å; R736-L740 WeakPolarHBondContact O-CG 3.49Å; R736-L740 PolarHBondContact O-N 3.48Å; R736-F766 PolarHBondContact NH1-O 2.99Å; R736-F766 PolarHBondContact NH2-O 3.43Å
737A84.8Confident84.3Confident0 Ų033.2 Ų33.20%018%0.182CC..Hα-helixtrans-59.2-44.617700000110.6L723 L726 M727 V732 K733 R734 A735 L740 Y741L723-A737 HydrophobicContact CB-CB 4.29Å; L723-A737 HydrophobicContact CD2-CB 4.27Å; L726-A737 HydrophobicContact CB-CB 4.01Å; L726-A737 HydrophobicContact CD1-CB 4.35Å; L726-A737 WeakPolarHBondContact CD1-O 3.25Å; M727-A737 HydrophobicContact CG-CB 4.43Å; M727-A737 HydrophobicContact SD-CB 3.87Å; V732-A737 HydrophobicContact CG1-CB 3.99Å; K733-A737 WeakPolarHBondContact O-CB 3.33Å; K733-A737 PolarHBondContact O-N 3.16Å; R734-A737 PolarHBondContact O-N 3Å; A735-A737 PolarHBondContact O-N 2.96Å; A737-L740 PolarHBondContact O-N 3.09Å; A737-Y741 VanDerWaalsContact O-CB 3.27Å; A737-Y741 WeakPolarHBondContact O-CB 3.31Å; A737-Y741 PolarHBondContact O-N 2.59Å
738R81.7Confident84.5Confident43 Ų4333.8 Ų33.816%0.16219%0.185CC..Hα-helixtrans-64-41.9175-73.9-168.2-167.9122.2-10.8113.1I301 E302 L723 R734 A735 R736 L740 Y741 N742I301-R738 HydrophobicContact CD1-CB 4.48Å; I301-R738 HydrophobicContact CG2-CB 4.01Å; I301-R738 HydrophobicContact CG2-CG 4.48Å; E302-R738 VanDerWaalsContact CD-NH1 3.32Å; E302-R738 VanDerWaalsContact CG-NH1 3.29Å; E302-R738 IonicContact OE1-CZ 3.57Å; E302-R738 IonicContact OE1-NH1 2.82Å; E302-R738 PolarHBondContact OE1-NH1 3.16Å; E302-R738 IonicContact OE1-NH2 3.63Å; E302-R738 PolarHBondContact OE1-NH2 3.02Å; L723-R738 HydrophobicContact CD1-CG 3.44Å; L723-R738 VanDerWaalsContact CD1-CG 3.44Å; L723-R738 HydrophobicContact CD2-CG 4.23Å; L723-R738 HydrophobicContact CG-CG 4.48Å; R734-R738 PolarHBondContact O-N 2.88Å; A735-R738 PolarHBondContact O-N 3.31Å; R736-R738 VanDerWaalsContact C-N 3.32Å; R736-R738 PolarHBondContact O-N 3.22Å; R738-L740 VanDerWaalsContact C-N 3.32Å; R738-L740 PolarHBondContact O-N 3.22Å; R738-Y741 PolarHBondContact O-N 2.99Å; R738-N742 VanDerWaalsContact O-CB 3.31Å; R738-N742 WeakPolarHBondContact O-CB 3.35Å; R738-N742 PolarHBondContact O-N 2.9Å; R738-N742 PolarHBondContact O-ND2 3.15Å
739Q84.6Confident85Confident18 Ų1838.8 Ų38.88%0.08421%0.206CC..Hα-helixtrans-58.4-47176.1-75.5178.2-35.100111.4I301 A735 R736 L743 M763I301-Q739 HydrophobicContact CD1-CG 3.48Å; I301-Q739 VanDerWaalsContact CD1-CG 3.48Å; A735-Q739 WeakPolarHBondContact O-CG 3.27Å; A735-Q739 PolarHBondContact O-N 3.45Å; R736-Q739 WeakPolarHBondContact O-CB 3.34Å; R736-Q739 PolarHBondContact O-N 3.1Å; Q739-L743 WeakPolarHBondContact O-CG 3.48Å; Q739-L743 PolarHBondContact O-N 3.12Å; Q739-M763 HydrophobicContact CB-CE 3.59Å; Q739-M763 HydrophobicContact CB-SD 3.95Å; Q739-M763 HydrophobicContact CG-CE 4.41Å
740L89.7Confident85.3Confident0 Ų041.6 Ų41.60%022%0.221CC..Hα-helixtrans-62.7-47176.7-71.6166.2000111.5L726 V732 R736 A737 R738 N742 L743 G744 Y745 I751 L759 M763 M767L726-L740 HydrophobicContact CD1-CB 4.11Å; V732-L740 HydrophobicContact CG1-CD1 4.12Å; V732-L740 HydrophobicContact CG2-CD1 4.35Å; R736-L740 HydrophobicContact CG-CD1 4.08Å; R736-L740 WeakPolarHBondContact O-CG 3.49Å; R736-L740 PolarHBondContact O-N 3.48Å; A737-L740 PolarHBondContact O-N 3.09Å; R738-L740 VanDerWaalsContact C-N 3.32Å; R738-L740 PolarHBondContact O-N 3.22Å; L740-N742 PolarHBondContact O-N 3.33Å; L740-L743 WeakPolarHBondContact O-CB 3.48Å; L740-L743 PolarHBondContact O-N 3.41Å; L740-L743 VanDerWaalsContact O-N 3.13Å; L740-G744 PolarHBondContact O-N 2.91Å; L740-Y745 CarbonylContact C-O 3.26Å; L740-Y745 HydrophobicContact CD2-CD2 4.24Å; L740-Y745 WeakPolarHBondContact O-CB 3.46Å; L740-Y745 PolarHBondContact O-N 2.87Å; L740-I751 HydrophobicContact CD1-CD1 3.93Å; L740-L759 HydrophobicContact CD2-CD1 3.81Å; L740-M763 HydrophobicContact CD2-SD 3.94Å; L740-M763 HydrophobicContact CG-SD 4.28Å; L740-M767 HydrophobicContact CD2-CE 4.41Å
741Y88.3Confident86.1Confident71 Ų7141.1 Ų41.128%0.27822%0.218SC..Hα-helixtrans-61.2-44.6179.3-171.7-93.4000112.5E722 L723 A737 R738 L743 G744 C746E722-Y741 HydrophobicContact CB-CE2 3.83Å; E722-Y741 HydrophobicContact CG-CD2 4.47Å; E722-Y741 HydrophobicContact CG-CE1 4.25Å; E722-Y741 HydrophobicContact CG-CE2 3.98Å; E722-Y741 WeakPolarHBondContact OE2-CE1 3.48Å; E722-Y741 VanDerWaalsContact OE2-CZ 3.31Å; E722-Y741 PolarHBondContact OE2-OH 3.26Å; L723-Y741 HydrophobicContact CD2-CD1 4.45Å; L723-Y741 HydrophobicContact CD2-CD2 4.08Å; L723-Y741 HydrophobicContact CD2-CG 3.81Å; A737-Y741 VanDerWaalsContact O-CB 3.27Å; A737-Y741 WeakPolarHBondContact O-CB 3.31Å; A737-Y741 PolarHBondContact O-N 2.59Å; R738-Y741 PolarHBondContact O-N 2.99Å; Y741-L743 PolarHBondContact O-N 3.38Å; Y741-G744 WeakPolarHBondContact O-CA 3.16Å; Y741-G744 PolarHBondContact O-N 3.31Å; Y741-C746 HydrophobicContact CD2-CB 3.91Å; Y741-C746 VanDerWaalsContact CD2-SG 3.58Å; Y741-C746 HydrophobicContact CE2-CB 3.85Å; Y741-C746 VanDerWaalsContact CE2-SG 3.53Å
742N85.5Confident87Confident119 Ų11940.4 Ų40.464%0.63621%0.21SC*.Hα-helixtrans-63.6-23.4177.2-71.9-13000113R738 L740 G744R738-N742 VanDerWaalsContact O-CB 3.31Å; R738-N742 WeakPolarHBondContact O-CB 3.35Å; R738-N742 PolarHBondContact O-N 2.9Å; R738-N742 PolarHBondContact O-ND2 3.15Å; L740-N742 PolarHBondContact O-N 3.33Å; N742-G744 VanDerWaalsContact C-N 3.32Å
743L89Confident87.6Confident55 Ų5545.2 Ų45.229%0.28824%0.242SC..THydrogen-bonded Turntrans-85.8-1172.2-71.8-172.8000113.9Q739 L740 Y741 Y745 R762 M763Q739-L743 WeakPolarHBondContact O-CG 3.48Å; Q739-L743 PolarHBondContact O-N 3.12Å; L740-L743 WeakPolarHBondContact O-CB 3.48Å; L740-L743 PolarHBondContact O-N 3.41Å; L740-L743 VanDerWaalsContact O-N 3.13Å; Y741-L743 PolarHBondContact O-N 3.38Å; L743-Y745 HydrophobicContact CB-CD2 3.77Å; L743-Y745 HydrophobicContact CB-CE2 3.95Å; L743-Y745 HydrophobicContact CD1-CD2 4.41Å; L743-Y745 HydrophobicContact CD1-CE2 4.14Å; L743-R762 HydrophobicContact CD1-CB 3.5Å; L743-R762 HydrophobicContact CD2-CB 4.16Å; L743-R762 HydrophobicContact CG-CB 4.46Å; L743-M763 HydrophobicContact CD1-CE 3.18Å; L743-M763 HydrophobicContact CD1-CG 3.7Å; L743-M763 HydrophobicContact CD1-SD 3.77Å; L743-M763 HydrophobicContact CG-CE 3.75Å
744G90.4Very high88.3Confident46 Ų4643.2 Ų43.247%0.47424%0.236SC..THydrogen-bonded Turntrans90.65.1-17800000115L740 Y741 N742 C746L740-G744 PolarHBondContact O-N 2.91Å; Y741-G744 WeakPolarHBondContact O-CA 3.16Å; Y741-G744 PolarHBondContact O-N 3.31Å; N742-G744 VanDerWaalsContact C-N 3.32Å; G744-C746 PolarHBondContact O-N 3.22Å; G744-C746 VanDerWaalsContact O-N 3.17Å
745Y92.7Very high89.1Confident19 Ų1945.6 Ų45.68%0.07525%0.252CS..  trans-85.281.9172.2-58.6-76.3000109.4L726 L740 L743 D750 A754 L759L726-Y745 VanDerWaalsContact CD1-O 3.26Å; L726-Y745 WeakPolarHBondContact CD1-O 3.32Å; L740-Y745 CarbonylContact C-O 3.26Å; L740-Y745 HydrophobicContact CD2-CD2 4.24Å; L740-Y745 WeakPolarHBondContact O-CB 3.46Å; L740-Y745 PolarHBondContact O-N 2.87Å; L743-Y745 HydrophobicContact CB-CD2 3.77Å; L743-Y745 HydrophobicContact CB-CE2 3.95Å; L743-Y745 HydrophobicContact CD1-CD2 4.41Å; L743-Y745 HydrophobicContact CD1-CE2 4.14Å; Y745-D750 HydrophobicContact CD1-CB 4.03Å; Y745-A754 HydrophobicContact CD1-CB 4.38Å; Y745-A754 HydrophobicContact CE1-CB 3.72Å; Y745-L759 HydrophobicContact CD2-CD1 3.94Å; Y745-L759 HydrophobicContact CE1-CD1 4.45Å; Y745-L759 HydrophobicContact CE2-CD1 3.5Å; Y745-L759 VanDerWaalsContact CE2-CD1 3.5Å
746C90.7Very high89.9Confident42 Ų4246.2 Ų46.228%0.28426%0.256SS..  trans-92.9-25.1-171.7-59.20000113Y741 G744 D750Y741-C746 HydrophobicContact CD2-CB 3.91Å; Y741-C746 VanDerWaalsContact CD2-SG 3.58Å; Y741-C746 HydrophobicContact CE2-CB 3.85Å; Y741-C746 VanDerWaalsContact CE2-SG 3.53Å; G744-C746 PolarHBondContact O-N 3.22Å; G744-C746 VanDerWaalsContact O-N 3.17Å; C746-D750 PolarHBondContact N-OD2 2.95Å; C746-D750 VanDerWaalsContact N-OD2 3.13Å
747T92.4Very high90.3Very high58 Ų5847.4 Ų47.436%0.35627%0.27SS..SBendtrans-120.9160.2-175.2720000111.8K749 D750 I751T747-K749 PolarHBondContact O-N 2.92Å; T747-K749 PolarHBondContact OG1-N 3.27Å; T747-D750 WeakPolarHBondContact CB-OD2 3.1Å; T747-D750 PolarHBondContact N-OD2 3.43Å; T747-D750 PolarHBondContact O-N 3Å; T747-D750 PolarHBondContact OG1-N 3.28Å; T747-D750 VanDerWaalsContact OG1-N 3.16Å; T747-D750 PolarHBondContact OG1-OD1 3.19Å; T747-D750 PolarHBondContact OG1-OD2 2.88Å; T747-I751 PolarHBondContact O-N 3.17Å
748L91.9Very high90.7Very high16 Ų1650 Ų508%0.08428%0.284CS..Hα-helixtrans-55.7-35.3170.8-69.3175.4000111.5P725 L729 I751 A752 L782 I783P725-L748 VanDerWaalsContact O-CD2 3.25Å; P725-L748 WeakPolarHBondContact O-CD2 3.44Å; P725-L748 WeakPolarHBondContact O-CG 3.23Å; L729-L748 HydrophobicContact CD1-CD2 3.89Å; L729-L748 HydrophobicContact CD2-CD2 3.81Å; L729-L748 HydrophobicContact CG-CD2 3.59Å; L748-I751 PolarHBondContact O-N 3.19Å; L748-A752 WeakPolarHBondContact O-CB 3.43Å; L748-A752 PolarHBondContact O-N 3.08Å; L748-L782 HydrophobicContact CD2-CD1 4.49Å; L748-I783 HydrophobicContact CB-CD1 4.04Å; L748-I783 HydrophobicContact CB-CG1 4Å
749K93.4Very high91.1Very high145 Ų14547.9 Ų47.963%0.6328%0.276SS*.Hα-helixtrans-63.8-44179-176.6-176.7176.8-175.70111.5T747 I751 A752 C753 I783T747-K749 PolarHBondContact O-N 2.92Å; T747-K749 PolarHBondContact OG1-N 3.27Å; K749-I751 PolarHBondContact O-N 3.42Å; K749-A752 PolarHBondContact O-N 3.31Å; K749-C753 WeakPolarHBondContact O-CB 3.38Å; K749-C753 PolarHBondContact O-N 3.44Å; K749-C753 PolarHBondContact O-SG 3.48Å; K749-I783 HydrophobicContact CB-CD1 4.39Å
750D93.8Very high91.4Very high58 Ų5848.4 Ų48.431%0.3128%0.28SS..Hα-helixtrans-59.1-39.6179-54.9-37.5000110.8Y745 C746 T747 A754Y745-D750 HydrophobicContact CD1-CB 4.03Å; C746-D750 PolarHBondContact N-OD2 2.95Å; C746-D750 VanDerWaalsContact N-OD2 3.13Å; T747-D750 WeakPolarHBondContact CB-OD2 3.1Å; T747-D750 PolarHBondContact N-OD2 3.43Å; T747-D750 PolarHBondContact O-N 3Å; T747-D750 PolarHBondContact OG1-N 3.28Å; T747-D750 VanDerWaalsContact OG1-N 3.16Å; T747-D750 PolarHBondContact OG1-OD1 3.19Å; T747-D750 PolarHBondContact OG1-OD2 2.88Å; D750-A754 PolarHBondContact O-N 3.04Å
751I94Very high91.3Very high0 Ų052 Ų520%031%0.305CS..Hα-helixtrans-71.4-45.7176.8-65.8-179.4000111.4L726 L729 L740 T747 L748 K749 C753 A754 I775 A779L726-I751 HydrophobicContact CD2-CD1 3.58Å; L726-I751 HydrophobicContact CD2-CG1 4.44Å; L729-I751 HydrophobicContact CD1-CD1 3.36Å; L729-I751 HydrophobicContact CD1-CG2 4.2Å; L740-I751 HydrophobicContact CD1-CD1 3.93Å; T747-I751 PolarHBondContact O-N 3.17Å; L748-I751 PolarHBondContact O-N 3.19Å; K749-I751 PolarHBondContact O-N 3.42Å; I751-C753 PolarHBondContact O-N 2.84Å; I751-A754 VanDerWaalsContact O-CB 3.29Å; I751-A754 WeakPolarHBondContact O-CB 3.4Å; I751-A754 PolarHBondContact O-N 3.21Å; I751-I775 HydrophobicContact CG2-CG2 3.61Å; I751-A779 HydrophobicContact CB-CB 4.09Å; I751-A779 HydrophobicContact CG2-CB 3.66Å
752A92.8Very high91.3Very high14 Ų1454.7 Ų54.712%0.11632%0.315CS..Hα-helixtrans-63.3-29.8-179.100000113.2L748 K749 A779 Q780 I783L748-A752 WeakPolarHBondContact O-CB 3.43Å; L748-A752 PolarHBondContact O-N 3.08Å; K749-A752 PolarHBondContact O-N 3.31Å; A752-A779 HydrophobicContact CB-CB 3.95Å; A752-Q780 HydrophobicContact CB-CG 3.85Å; A752-Q780 PolarHBondContact O-NE2 3.28Å; A752-I783 HydrophobicContact CB-CD1 3.48Å; A752-I783 VanDerWaalsContact CB-CD1 3.48Å
753C93.2Very high91.2Very high101 Ų10149.4 Ų49.468%0.68229%0.287SS*.THydrogen-bonded Turntrans-89.5-5.4175.6-65.20000113.7K749 I751K749-C753 WeakPolarHBondContact O-CB 3.38Å; K749-C753 PolarHBondContact O-N 3.44Å; K749-C753 PolarHBondContact O-SG 3.48Å; I751-C753 PolarHBondContact O-N 2.84Å
754A92.5Very high90.7Very high16 Ų1649.4 Ų49.413%0.13230%0.295CS..  trans-69.3144.2-177.200000111.8Y745 D750 I751 I776Y745-A754 HydrophobicContact CD1-CB 4.38Å; Y745-A754 HydrophobicContact CE1-CB 3.72Å; D750-A754 PolarHBondContact O-N 3.04Å; I751-A754 VanDerWaalsContact O-CB 3.29Å; I751-A754 WeakPolarHBondContact O-CB 3.4Å; I751-A754 PolarHBondContact O-N 3.21Å; A754-I776 HydrophobicContact CB-CD1 4.4Å; A754-I776 HydrophobicContact CB-CG1 4.43Å; A754-I776 WeakPolarHBondContact O-CD1 3.33Å
755N92.7Very high89.8Confident86 Ų8650.5 Ų50.546%0.4629%0.293SS..  trans-81.1129.5168.2-173.9-40.6000109.8S757 D758 L759N755-S757 VanDerWaalsContact C-N 3.29Å; N755-S757 PolarHBondContact O-N 3.28Å; N755-S757 PolarHBondContact OD1-N 3.21Å; N755-S757 PolarHBondContact OD1-OG 3.36Å; N755-D758 HydrophobicContact CB-CB 4.13Å; N755-D758 PolarHBondContact O-N 3.49Å; N755-L759 WeakPolarHBondContact O-CB 3.39Å; N755-L759 PolarHBondContact O-N 2.97Å
756S90.7Very high89Confident23 Ų2352.4 Ų52.416%0.16130%0.302CS..Hα-helixtrans-51.7-40.817968.40000114.5T760 N773S756-T760 VanDerWaalsContact O-CB 3.3Å; S756-T760 WeakPolarHBondContact O-CB 3.32Å; S756-T760 PolarHBondContact O-N 3.24Å; S756-T760 PolarHBondContact O-OG1 3.24Å; S756-N773 WeakPolarHBondContact CB-OD1 3.44Å
757S92.3Very high88.6Confident66 Ų6651 Ų5146%0.46229%0.291SS..Hα-helixtrans-73.7-39.8-179.158.30000112N755 T760 S761N755-S757 VanDerWaalsContact C-N 3.29Å; N755-S757 PolarHBondContact O-N 3.28Å; N755-S757 PolarHBondContact OD1-N 3.21Å; N755-S757 PolarHBondContact OD1-OG 3.36Å; S757-T760 PolarHBondContact O-N 3.02Å; S757-S761 WeakPolarHBondContact O-CB 3.45Å; S757-S761 PolarHBondContact O-N 3.24Å; S757-S761 PolarHBondContact O-OG 2.85Å
758D91.5Very high88.1Confident53 Ų5350.3 Ų50.328%0.28329%0.289SS..Hα-helixtrans-64.5-50.2176.5-174.524.6000110.2N755 T760 S761 R762N755-D758 HydrophobicContact CB-CB 4.13Å; N755-D758 PolarHBondContact O-N 3.49Å; D758-T760 VanDerWaalsContact C-N 3.31Å; D758-T760 PolarHBondContact O-N 3.32Å; D758-S761 PolarHBondContact O-N 3.16Å; D758-S761 PolarHBondContact O-OG 3.17Å; D758-R762 WeakPolarHBondContact O-CG 3.3Å; D758-R762 PolarHBondContact O-N 3.27Å; D758-R762 IonicContact OD1-CZ 2.72Å; D758-R762 IonicContact OD1-NE 3.67Å; D758-R762 PolarHBondContact OD1-NE 2.91Å; D758-R762 IonicContact OD1-NH2 3.61Å; D758-R762 PolarHBondContact OD1-NH2 3.38Å; D758-R762 IonicContact OD2-CZ 3.92Å; D758-R762 IonicContact OD2-NE 3.51Å; D758-R762 PolarHBondContact OD2-NE 3.43Å; D758-R762 IonicContact OD2-NH2 2.87Å; D758-R762 PolarHBondContact OD2-NH2 2.87Å
759L90.9Very high87.8Confident0 Ų055.5 Ų55.50%031%0.311CS..Hα-helixtrans-56.7-45.2177.5-177.461.9000111.7L740 Y745 N755 R762 M763 M767 A772 I776L740-L759 HydrophobicContact CD2-CD1 3.81Å; Y745-L759 HydrophobicContact CD2-CD1 3.94Å; Y745-L759 HydrophobicContact CE1-CD1 4.45Å; Y745-L759 HydrophobicContact CE2-CD1 3.5Å; Y745-L759 VanDerWaalsContact CE2-CD1 3.5Å; N755-L759 WeakPolarHBondContact O-CB 3.39Å; N755-L759 PolarHBondContact O-N 2.97Å; L759-R762 PolarHBondContact O-N 3.1Å; L759-M763 HydrophobicContact CD1-CG 3.99Å; L759-M763 VanDerWaalsContact O-CB 3.23Å; L759-M763 WeakPolarHBondContact O-CB 3.13Å; L759-M763 VanDerWaalsContact O-CG 3.28Å; L759-M763 WeakPolarHBondContact O-CG 3.4Å; L759-M763 PolarHBondContact O-N 3.33Å; L759-M767 HydrophobicContact CD2-SD 4.12Å; L759-M767 HydrophobicContact CG-SD 4.01Å; L759-A772 HydrophobicContact CD2-CB 4.1Å; L759-A772 HydrophobicContact CG-CB 4.42Å; L759-I776 HydrophobicContact CD2-CD1 4.03Å; L759-I776 HydrophobicContact CD2-CG1 4.04Å
760T90.5Very high87.3Confident29 Ų2956.9 Ų56.918%0.17831%0.312CS..Hα-helixtrans-61.2-44.4175.7-56.80000111.4S756 S757 D758 M763 A764 K769 A772S756-T760 VanDerWaalsContact O-CB 3.3Å; S756-T760 WeakPolarHBondContact O-CB 3.32Å; S756-T760 PolarHBondContact O-N 3.24Å; S756-T760 PolarHBondContact O-OG1 3.24Å; S757-T760 PolarHBondContact O-N 3.02Å; D758-T760 VanDerWaalsContact C-N 3.31Å; D758-T760 PolarHBondContact O-N 3.32Å; T760-M763 CarbonylContact O-C 3.59Å; T760-M763 PolarHBondContact O-N 2.89Å; T760-A764 PolarHBondContact O-N 3.3Å; T760-K769 HydrophobicContact CG2-CB 4.44Å; T760-K769 WeakPolarHBondContact OG1-CA 3.47Å; T760-A772 WeakPolarHBondContact OG1-CB 3.29Å
761S89Confident86.9Confident75 Ų7556.2 Ų56.252%0.52431%0.31SS..Hα-helixtrans-65.8-40.1-178.672.90000112.7S757 D758 A764S757-S761 WeakPolarHBondContact O-CB 3.45Å; S757-S761 PolarHBondContact O-N 3.24Å; S757-S761 PolarHBondContact O-OG 2.85Å; D758-S761 PolarHBondContact O-N 3.16Å; D758-S761 PolarHBondContact O-OG 3.17Å; S761-A764 WeakPolarHBondContact O-CB 3.34Å; S761-A764 PolarHBondContact O-N 3.23Å
762R87.3Confident86.7Confident127 Ų12756.2 Ų56.248%0.47931%0.31SS..Hα-helixtrans-75.5-30.6178.2-62.2-174.3-166.6-161.87.7112.8L743 D758 L759 A764L743-R762 HydrophobicContact CD1-CB 3.5Å; L743-R762 HydrophobicContact CD2-CB 4.16Å; L743-R762 HydrophobicContact CG-CB 4.46Å; D758-R762 WeakPolarHBondContact O-CG 3.3Å; D758-R762 PolarHBondContact O-N 3.27Å; D758-R762 IonicContact OD1-CZ 2.72Å; D758-R762 IonicContact OD1-NE 3.67Å; D758-R762 PolarHBondContact OD1-NE 2.91Å; D758-R762 IonicContact OD1-NH2 3.61Å; D758-R762 PolarHBondContact OD1-NH2 3.38Å; D758-R762 IonicContact OD2-CZ 3.92Å; D758-R762 IonicContact OD2-NE 3.51Å; D758-R762 PolarHBondContact OD2-NE 3.43Å; D758-R762 IonicContact OD2-NH2 2.87Å; D758-R762 PolarHBondContact OD2-NH2 2.87Å; L759-R762 PolarHBondContact O-N 3.1Å; R762-A764 VanDerWaalsContact C-N 3.32Å
763M84.5Confident86.6Confident9 Ų958.5 Ų58.54%0.04432%0.32CS..THydrogen-bonded Turntrans-89.52.7175.8-65.4-87.369.200113.4Q739 L740 L743 L759 T760 F766 M767Q739-M763 HydrophobicContact CB-CE 3.59Å; Q739-M763 HydrophobicContact CB-SD 3.95Å; Q739-M763 HydrophobicContact CG-CE 4.41Å; L740-M763 HydrophobicContact CD2-SD 3.94Å; L740-M763 HydrophobicContact CG-SD 4.28Å; L743-M763 HydrophobicContact CD1-CE 3.18Å; L743-M763 HydrophobicContact CD1-CG 3.7Å; L743-M763 HydrophobicContact CD1-SD 3.77Å; L743-M763 HydrophobicContact CG-CE 3.75Å; L759-M763 HydrophobicContact CD1-CG 3.99Å; L759-M763 VanDerWaalsContact O-CB 3.23Å; L759-M763 WeakPolarHBondContact O-CB 3.13Å; L759-M763 VanDerWaalsContact O-CG 3.28Å; L759-M763 WeakPolarHBondContact O-CG 3.4Å; L759-M763 PolarHBondContact O-N 3.33Å; T760-M763 CarbonylContact O-C 3.59Å; T760-M763 PolarHBondContact O-N 2.89Å; M763-F766 WeakPolarHBondContact O-CA 3.48Å; M763-F766 PolarHBondContact O-N 3.06Å; M763-M767 HydrophobicContact CB-CB 3.63Å; M763-M767 HydrophobicContact CB-CE 4.39Å; M763-M767 HydrophobicContact CB-SD 4.28Å; M763-M767 HydrophobicContact CG-CE 4.07Å; M763-M767 HydrophobicContact CG-SD 4.25Å; M763-M767 PolarHBondContact O-N 3.11Å; M763-M767 HydrophobicContact SD-CE 4.22Å
764A78.4Confident86.4Confident55 Ų5555.4 Ų55.446%0.45530%0.296SS..THydrogen-bonded Turntrans-61.5143.2176.100000110.1T760 S761 R762T760-A764 PolarHBondContact O-N 3.3Å; S761-A764 WeakPolarHBondContact O-CB 3.34Å; S761-A764 PolarHBondContact O-N 3.23Å; R762-A764 VanDerWaalsContact C-N 3.32Å
765P70.5Confident86.2Confident68 Ų6854.9 Ų54.944%0.44229%0.291SS..THydrogen-bonded Turncis-88.99.6-3.234.7-36.8000114.8L290 M767L290-P765 HydrophobicContact CD1-CB 3.44Å; L290-P765 VanDerWaalsContact CD1-CB 3.44Å; L290-P765 HydrophobicContact CD1-CG 3.26Å; L290-P765 HydrophobicContact CD2-CB 3.79Å; L290-P765 HydrophobicContact CG-CB 4.25Å; L290-P765 HydrophobicContact CG-CG 4.49Å; P765-M767 PolarHBondContact O-N 3.22Å
766F75Confident86.2Confident60 Ų6051.3 Ų51.326%0.26327%0.272SS..SBendtrans-87.1-4.2-164.8-45.6-76.2000115.9E293 N294 I297 R736 M763E293-F766 HydrophobicContact CB-CE1 4.42Å; N294-F766 VanDerWaalsContact OD1-CD1 3.26Å; N294-F766 WeakPolarHBondContact OD1-CD1 3.23Å; I297-F766 HydrophobicContact CD1-CB 4.27Å; I297-F766 HydrophobicContact CD1-CD1 3.93Å; I297-F766 HydrophobicContact CD1-CG 4.32Å; I297-F766 HydrophobicContact CG1-CD1 4.22Å; R736-F766 PolarHBondContact NH1-O 2.99Å; R736-F766 PolarHBondContact NH2-O 3.43Å; M763-F766 WeakPolarHBondContact O-CA 3.48Å; M763-F766 PolarHBondContact O-N 3.06Å
767M82.5Confident86.3Confident11 Ų1152.8 Ų52.85%0.05428%0.276CS..  trans-136.7128.8-178.7-173.9178.2-67.800110.7L740 L759 M763 P765 V771 A772 I775L740-M767 HydrophobicContact CD2-CE 4.41Å; L759-M767 HydrophobicContact CD2-SD 4.12Å; L759-M767 HydrophobicContact CG-SD 4.01Å; M763-M767 HydrophobicContact CB-CB 3.63Å; M763-M767 HydrophobicContact CB-CE 4.39Å; M763-M767 HydrophobicContact CB-SD 4.28Å; M763-M767 HydrophobicContact CG-CE 4.07Å; M763-M767 HydrophobicContact CG-SD 4.25Å; M763-M767 PolarHBondContact O-N 3.11Å; M763-M767 HydrophobicContact SD-CE 4.22Å; P765-M767 PolarHBondContact O-N 3.22Å; M767-V771 HydrophobicContact CG-CB 4.14Å; M767-V771 HydrophobicContact CG-CG1 4.04Å; M767-A772 HydrophobicContact CG-CB 4.26Å; M767-A772 HydrophobicContact SD-CB 3.78Å; M767-I775 HydrophobicContact CE-CD1 3.74Å; M767-I775 HydrophobicContact SD-CD1 4.42Å
768S82.3Confident86.2Confident45 Ų4549.9 Ų49.932%0.31526%0.256SS..  trans-84.1157.8172.372.50000111.2R770 V771 A772S768-R770 PolarHBondContact O-N 3.34Å; S768-V771 PolarHBondContact O-N 2.83Å; S768-V771 VanDerWaalsContact O-N 3.1Å; S768-V771 WeakPolarHBondContact OG-CG2 3.37Å; S768-V771 PolarHBondContact OG-N 3.25Å; S768-A772 PolarHBondContact O-N 3.42Å
769K85.3Confident86.2Confident125 Ų12547.4 Ų47.454%0.54324%0.243SC..Hα-helixtrans-57.4-33.1176.2-171.5174.3-178.8177.20112.9T760 N773T760-K769 HydrophobicContact CG2-CB 4.44Å; T760-K769 WeakPolarHBondContact OG1-CA 3.47Å; K769-N773 PolarHBondContact O-N 2.94Å; K769-N773 PolarHBondContact O-ND2 3.37Å
770R84.7Confident86.3Confident174 Ų17450.6 Ų50.666%0.65726%0.258SS*.Hα-helixtrans-62.9-52.4174.6178.8-178.1171.9173.43.7111.1S768 A772 N773 E774S768-R770 PolarHBondContact O-N 3.34Å; R770-A772 VanDerWaalsContact C-N 3.3Å; R770-A772 PolarHBondContact O-N 3.37Å; R770-N773 WeakPolarHBondContact O-CB 3.38Å; R770-N773 PolarHBondContact O-N 3.18Å; R770-E774 WeakPolarHBondContact CG-OE1 3.48Å; R770-E774 IonicContact CZ-OE1 3.36Å; R770-E774 IonicContact NE-OE1 2.88Å; R770-E774 PolarHBondContact NE-OE1 3.38Å; R770-E774 IonicContact NH2-OE1 3.56Å; R770-E774 WeakPolarHBondContact O-CG 3.42Å; R770-E774 PolarHBondContact O-N 2.95Å
771V84.1Confident86.3Confident44 Ų4449.4 Ų49.427%0.26725%0.25SS..Hα-helixtrans-63.1-38.8179.6173.80000110.9M767 S768 N773 E774 I775M767-V771 HydrophobicContact CG-CB 4.14Å; M767-V771 HydrophobicContact CG-CG1 4.04Å; S768-V771 PolarHBondContact O-N 2.83Å; S768-V771 VanDerWaalsContact O-N 3.1Å; S768-V771 WeakPolarHBondContact OG-CG2 3.37Å; S768-V771 PolarHBondContact OG-N 3.25Å; V771-N773 PolarHBondContact O-N 3.45Å; V771-E774 PolarHBondContact O-N 2.96Å; V771-I775 HydrophobicContact CG1-CD1 3.77Å; V771-I775 HydrophobicContact CG1-CG1 4.35Å; V771-I775 WeakPolarHBondContact O-CB 3.34Å; V771-I775 WeakPolarHBondContact O-CG1 3.36Å; V771-I775 PolarHBondContact O-N 2.8Å
772A89.4Confident86.3Confident0 Ų047.5 Ų47.50%023%0.234CC..Hα-helixtrans-57.8-47.9174.300000111.7L759 T760 M767 S768 R770 I775 I776L759-A772 HydrophobicContact CD2-CB 4.1Å; L759-A772 HydrophobicContact CG-CB 4.42Å; T760-A772 WeakPolarHBondContact OG1-CB 3.29Å; M767-A772 HydrophobicContact CG-CB 4.26Å; M767-A772 HydrophobicContact SD-CB 3.78Å; S768-A772 PolarHBondContact O-N 3.42Å; R770-A772 VanDerWaalsContact C-N 3.3Å; R770-A772 PolarHBondContact O-N 3.37Å; A772-I775 PolarHBondContact O-N 2.85Å; A772-I776 WeakPolarHBondContact O-CB 3.34Å; A772-I776 WeakPolarHBondContact O-CD1 3.21Å; A772-I776 WeakPolarHBondContact O-CG1 3.06Å; A772-I776 PolarHBondContact O-N 2.89Å
773N90.9Very high86.4Confident61 Ų6144.2 Ų44.233%0.32623%0.225SC..Hα-helixtrans-61.2-45.5176.3-75.5-24.6000112.4S756 K769 R770 V771 I775 I776 Q777S756-N773 WeakPolarHBondContact CB-OD1 3.44Å; K769-N773 PolarHBondContact O-N 2.94Å; K769-N773 PolarHBondContact O-ND2 3.37Å; R770-N773 WeakPolarHBondContact O-CB 3.38Å; R770-N773 PolarHBondContact O-N 3.18Å; V771-N773 PolarHBondContact O-N 3.45Å; N773-I775 VanDerWaalsContact C-N 3.32Å; N773-I775 PolarHBondContact O-N 2.83Å; N773-I776 PolarHBondContact O-N 3.35Å; N773-Q777 WeakPolarHBondContact O-CB 3.33Å; N773-Q777 VanDerWaalsContact O-CG 3.26Å; N773-Q777 WeakPolarHBondContact O-CG 3.32Å; N773-Q777 PolarHBondContact O-N 2.92Å
774E88.9Confident86.4Confident36 Ų3644.6 Ų44.617%0.16823%0.229CC..Hα-helixtrans-59.8-42.4179-71.5173.3-170.400111.4R770 V771 A778R770-E774 WeakPolarHBondContact CG-OE1 3.48Å; R770-E774 IonicContact CZ-OE1 3.36Å; R770-E774 IonicContact NE-OE1 2.88Å; R770-E774 PolarHBondContact NE-OE1 3.38Å; R770-E774 IonicContact NH2-OE1 3.56Å; R770-E774 WeakPolarHBondContact O-CG 3.42Å; R770-E774 PolarHBondContact O-N 2.95Å; V771-E774 PolarHBondContact O-N 2.96Å; E774-A778 VanDerWaalsContact O-CB 3.26Å; E774-A778 WeakPolarHBondContact O-CB 3.46Å; E774-A778 PolarHBondContact O-N 3.13Å
775I89.5Confident86.7Confident6 Ų643.6 Ų43.63%0.03122%0.215CC..Hα-helixtrans-67.3-45177.9-70.7172000111.4L729 V732 I751 M767 V771 A772 N773 A778 A779L729-I775 HydrophobicContact CD1-CG2 4.14Å; V732-I775 HydrophobicContact CG2-CD1 4.08Å; V732-I775 HydrophobicContact CG2-CG1 4.24Å; V732-I775 HydrophobicContact CG2-CG2 4.37Å; I751-I775 HydrophobicContact CG2-CG2 3.61Å; M767-I775 HydrophobicContact CE-CD1 3.74Å; M767-I775 HydrophobicContact SD-CD1 4.42Å; V771-I775 HydrophobicContact CG1-CD1 3.77Å; V771-I775 HydrophobicContact CG1-CG1 4.35Å; V771-I775 WeakPolarHBondContact O-CB 3.34Å; V771-I775 WeakPolarHBondContact O-CG1 3.36Å; V771-I775 PolarHBondContact O-N 2.8Å; A772-I775 PolarHBondContact O-N 2.85Å; N773-I775 VanDerWaalsContact C-N 3.32Å; N773-I775 PolarHBondContact O-N 2.83Å; I775-A778 PolarHBondContact O-N 2.79Å; I775-A779 WeakPolarHBondContact O-CB 3.46Å; I775-A779 PolarHBondContact O-N 3.27Å
776I93.2Very high87.4Confident11 Ų1144.5 Ų44.56%0.05621%0.212CC..Hα-helixtrans-61.3-47.6178.4-68.8163.4000110.3A754 L759 A772 N773 A778 A779 Q780A754-I776 HydrophobicContact CB-CD1 4.4Å; A754-I776 HydrophobicContact CB-CG1 4.43Å; A754-I776 WeakPolarHBondContact O-CD1 3.33Å; L759-I776 HydrophobicContact CD2-CD1 4.03Å; L759-I776 HydrophobicContact CD2-CG1 4.04Å; A772-I776 WeakPolarHBondContact O-CB 3.34Å; A772-I776 WeakPolarHBondContact O-CD1 3.21Å; A772-I776 WeakPolarHBondContact O-CG1 3.06Å; A772-I776 PolarHBondContact O-N 2.89Å; N773-I776 PolarHBondContact O-N 3.35Å; I776-A778 PolarHBondContact O-N 2.98Å; I776-A779 WeakPolarHBondContact O-CB 3.41Å; I776-A779 PolarHBondContact O-N 3.11Å; I776-Q780 WeakPolarHBondContact O-CG 3.25Å; I776-Q780 PolarHBondContact O-N 2.85Å
777Q91.2Very high87.9Confident53 Ų5343.3 Ų43.325%0.24821%0.213CC..Hα-helixtrans-65.3-39.4179.1-72.3171.3-12.500111.9T30 L34 N773 A779 Q780 M781T30-Q777 HydrophobicContact CG2-CB 4.18Å; L34-Q777 HydrophobicContact CD1-CB 3.9Å; L34-Q777 HydrophobicContact CD1-CG 4.13Å; N773-Q777 WeakPolarHBondContact O-CB 3.33Å; N773-Q777 VanDerWaalsContact O-CG 3.26Å; N773-Q777 WeakPolarHBondContact O-CG 3.32Å; N773-Q777 PolarHBondContact O-N 2.92Å; Q777-A779 VanDerWaalsContact C-N 3.32Å; Q777-A779 PolarHBondContact O-N 3.1Å; Q777-Q780 PolarHBondContact O-N 3.09Å; Q777-M781 WeakPolarHBondContact O-CB 3.31Å; Q777-M781 PolarHBondContact O-N 3.21Å
778A89.9Confident87.9Confident6 Ų644.7 Ų44.75%0.0522%0.221CC..Hα-helixtrans-64-37.7173.800000112.2L729 P730 E774 I775 I776 M781 L782L729-A778 HydrophobicContact CD2-CB 4.21Å; P730-A778 VanDerWaalsContact CD-CB 3.5Å; P730-A778 HydrophobicContact CG-CB 3.45Å; P730-A778 VanDerWaalsContact CG-CB 3.45Å; E774-A778 VanDerWaalsContact O-CB 3.26Å; E774-A778 WeakPolarHBondContact O-CB 3.46Å; E774-A778 PolarHBondContact O-N 3.13Å; I775-A778 PolarHBondContact O-N 2.79Å; I776-A778 PolarHBondContact O-N 2.98Å; A778-M781 PolarHBondContact O-N 3.34Å; A778-L782 WeakPolarHBondContact O-CG 3.48Å; A778-L782 PolarHBondContact O-N 3.15Å
779A92.8Very high87.8Confident0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-64.8-43.8174.200000111.8L729 I751 A752 I775 I776 Q777 M781 L782 I783L729-A779 VanDerWaalsContact CD2-CA 3.47Å; L729-A779 HydrophobicContact CD2-CB 3.62Å; I751-A779 HydrophobicContact CB-CB 4.09Å; I751-A779 HydrophobicContact CG2-CB 3.66Å; A752-A779 HydrophobicContact CB-CB 3.95Å; I775-A779 WeakPolarHBondContact O-CB 3.46Å; I775-A779 PolarHBondContact O-N 3.27Å; I776-A779 WeakPolarHBondContact O-CB 3.41Å; I776-A779 PolarHBondContact O-N 3.11Å; Q777-A779 VanDerWaalsContact C-N 3.32Å; Q777-A779 PolarHBondContact O-N 3.1Å; A779-M781 VanDerWaalsContact C-N 3.34Å; A779-M781 PolarHBondContact O-N 3.32Å; A779-L782 PolarHBondContact O-N 2.89Å; A779-I783 WeakPolarHBondContact O-CB 3.19Å; A779-I783 VanDerWaalsContact O-CG1 3.28Å; A779-I783 WeakPolarHBondContact O-CG1 3.32Å; A779-I783 PolarHBondContact O-N 3Å
780Q92.9Very high87.8Confident68 Ų6842.9 Ų42.932%0.31822%0.216SC..Hα-helixtrans-60.3-43.9174.8-70.8170.3-6.900111.5L34 A752 I776 Q777 S784L34-Q780 HydrophobicContact CD1-CB 4.42Å; A752-Q780 HydrophobicContact CB-CG 3.85Å; A752-Q780 PolarHBondContact O-NE2 3.28Å; I776-Q780 WeakPolarHBondContact O-CG 3.25Å; I776-Q780 PolarHBondContact O-N 2.85Å; Q777-Q780 PolarHBondContact O-N 3.09Å; Q780-S784 VanDerWaalsContact O-CB 3.25Å; Q780-S784 WeakPolarHBondContact O-CB 3.46Å; Q780-S784 PolarHBondContact O-N 3.05Å; Q780-S784 PolarHBondContact O-OG 3.31Å
781M89.8Confident87.6Confident4 Ų439.7 Ų39.72%0.0221%0.207CC..Hα-helixtrans-58-53.5175179.462.671.800111.3T30 L34 W39 V40 Q777 A778 A779 I783 S784 E785T30-M781 HydrophobicContact CG2-CB 3.88Å; T30-M781 HydrophobicContact CG2-CE 3.9Å; T30-M781 HydrophobicContact CG2-CG 4.24Å; L34-M781 HydrophobicContact CD2-CB 4.28Å; L34-M781 HydrophobicContact CD2-CE 3.82Å; L34-M781 HydrophobicContact CD2-SD 4.43Å; L34-M781 HydrophobicContact CG-CE 3.88Å; W39-M781 HydrophobicContact CB-SD 4.41Å; W39-M781 HydrophobicContact CE3-SD 3.59Å; W39-M781 VanDerWaalsContact CE3-SD 3.59Å; W39-M781 HydrophobicContact CZ3-SD 4.32Å; V40-M781 HydrophobicContact CB-CE 4.34Å; V40-M781 HydrophobicContact CG2-CE 4.27Å; Q777-M781 WeakPolarHBondContact O-CB 3.31Å; Q777-M781 PolarHBondContact O-N 3.21Å; A778-M781 PolarHBondContact O-N 3.34Å; A779-M781 VanDerWaalsContact C-N 3.34Å; A779-M781 PolarHBondContact O-N 3.32Å; M781-I783 PolarHBondContact O-N 3.3Å; M781-S784 PolarHBondContact O-N 3.44Å; M781-E785 VanDerWaalsContact O-CB 3.32Å; M781-E785 WeakPolarHBondContact O-CB 3.47Å; M781-E785 PolarHBondContact O-N 3.14Å
782L88.8Confident87.2Confident35 Ų3538.5 Ų38.518%0.18320%0.198CC..Hα-helixtrans-63.3-40.5-178.9-72.3175.5000113.3E728 L729 L748 A778 A779 K786E728-L782 HydrophobicContact CB-CD1 4.22Å; L729-L782 HydrophobicContact CD2-CD1 3.97Å; L748-L782 HydrophobicContact CD2-CD1 4.49Å; A778-L782 WeakPolarHBondContact O-CG 3.48Å; A778-L782 PolarHBondContact O-N 3.15Å; A779-L782 PolarHBondContact O-N 2.89Å; L782-K786 WeakPolarHBondContact O-CB 3.42Å; L782-K786 VanDerWaalsContact O-CG 3.3Å; L782-K786 WeakPolarHBondContact O-CG 3.32Å; L782-K786 PolarHBondContact O-N 2.88Å
783I89.3Confident86.8Confident57 Ų5743.7 Ų43.729%0.29222%0.222SC..Hα-helixtrans-65.7-44.4177-69.6172.7000110.2L748 K749 A752 A779 M781 E785 K786 A787L748-I783 HydrophobicContact CB-CD1 4.04Å; L748-I783 HydrophobicContact CB-CG1 4Å; K749-I783 HydrophobicContact CB-CD1 4.39Å; A752-I783 HydrophobicContact CB-CD1 3.48Å; A752-I783 VanDerWaalsContact CB-CD1 3.48Å; A779-I783 WeakPolarHBondContact O-CB 3.19Å; A779-I783 VanDerWaalsContact O-CG1 3.28Å; A779-I783 WeakPolarHBondContact O-CG1 3.32Å; A779-I783 PolarHBondContact O-N 3Å; M781-I783 PolarHBondContact O-N 3.3Å; I783-E785 VanDerWaalsContact C-N 3.34Å; I783-K786 PolarHBondContact O-N 2.85Å; I783-A787 WeakPolarHBondContact O-CB 3.47Å; I783-A787 PolarHBondContact O-N 3.32Å
784S85.7Confident86.2Confident18 Ų1842.4 Ų42.413%0.12622%0.221CC..Hα-helixtrans-64.6-42-179.5-55.60000110.9W39 Q780 M781 A787 D788W39-S784 VanDerWaalsContact CZ3-CB 3.42Å; Q780-S784 VanDerWaalsContact O-CB 3.25Å; Q780-S784 WeakPolarHBondContact O-CB 3.46Å; Q780-S784 PolarHBondContact O-N 3.05Å; Q780-S784 PolarHBondContact O-OG 3.31Å; M781-S784 PolarHBondContact O-N 3.44Å; S784-A787 PolarHBondContact O-N 2.89Å; S784-D788 WeakPolarHBondContact O-CB 3.38Å; S784-D788 PolarHBondContact O-N 3Å
785E84Confident85.5Confident34 Ų3441.8 Ų41.816%0.15922%0.22CC..Hα-helixtrans-59.6-47.3174.3-170.8-155.9146.200112.1R55 M781 I783 A787 D788 A789R55-E785 IonicContact NH2-OE1 2.73Å; R55-E785 PolarHBondContact NH2-OE1 3.44Å; R55-E785 VanDerWaalsContact NH2-OE1 3.16Å; M781-E785 VanDerWaalsContact O-CB 3.32Å; M781-E785 WeakPolarHBondContact O-CB 3.47Å; M781-E785 PolarHBondContact O-N 3.14Å; I783-E785 VanDerWaalsContact C-N 3.34Å; E785-A787 VanDerWaalsContact C-N 3.35Å; E785-D788 PolarHBondContact O-N 3.46Å; E785-A789 PolarHBondContact O-N 3.2Å
786K86Confident84.9Confident87 Ų8746.4 Ų46.438%0.37824%0.242SC..Hα-helixtrans-64.7-39.8177.4-75.2178.5-179.1-175.40112E728 L782 I783 A789 L790E728-K786 IonicContact OE1-NZ 3.37Å; E728-K786 PolarHBondContact OE1-NZ 3.2Å; E728-K786 WeakPolarHBondContact OE2-CE 3.44Å; E728-K786 IonicContact OE2-NZ 3.35Å; E728-K786 PolarHBondContact OE2-NZ 2.84Å; L782-K786 WeakPolarHBondContact O-CB 3.42Å; L782-K786 VanDerWaalsContact O-CG 3.3Å; L782-K786 WeakPolarHBondContact O-CG 3.32Å; L782-K786 PolarHBondContact O-N 2.88Å; I783-K786 PolarHBondContact O-N 2.85Å; K786-A789 PolarHBondContact O-N 2.96Å; K786-L790 WeakPolarHBondContact O-CG 3.31Å; K786-L790 PolarHBondContact O-N 3.37Å
787A85.3Confident84.2Confident35 Ų3552.2 Ų52.229%0.28927%0.27SS..Hα-helixtrans-62.7-46.2176.100000110.8I783 S784 E785 A789 L790 F791I783-A787 WeakPolarHBondContact O-CB 3.47Å; I783-A787 PolarHBondContact O-N 3.32Å; S784-A787 PolarHBondContact O-N 2.89Å; E785-A787 VanDerWaalsContact C-N 3.35Å; A787-A789 PolarHBondContact O-N 2.92Å; A787-L790 PolarHBondContact O-N 2.99Å; A787-F791 HydrophobicContact CB-CD2 4.46Å; A787-F791 HydrophobicContact CB-CE2 4.29Å; A787-F791 WeakPolarHBondContact O-CD2 3.06Å; A787-F791 PolarHBondContact O-N 3.45Å
788D81.8Confident83.5Confident39 Ų3951.6 Ų51.621%0.20927%0.268CS..Hα-helixtrans-58-46.7176.6-165.941.5000111.5W39 R55 S58 S784 E785 L790 F791 Q792W39-D788 HydrophobicContact CZ2-CB 3.93Å; W39-D788 PolarHBondContact NE1-OD2 2.64Å; R55-D788 WeakPolarHBondContact CD-OD2 3.37Å; R55-D788 IonicContact NE-OD2 3.7Å; S58-D788 PolarHBondContact OG-OD2 2.87Å; S784-D788 WeakPolarHBondContact O-CB 3.38Å; S784-D788 PolarHBondContact O-N 3Å; E785-D788 PolarHBondContact O-N 3.46Å; D788-L790 PolarHBondContact O-N 3.4Å; D788-F791 PolarHBondContact O-N 2.75Å; D788-Q792 PolarHBondContact O-N 3.22Å
789A81.2Confident82.5Confident20 Ų2055.2 Ų55.217%0.16529%0.293CS..Hα-helixtrans-60-42.9176.700000112.7V53 E785 K786 A787 Q792 E793V53-A789 HydrophobicContact CG1-CB 4.17Å; E785-A789 PolarHBondContact O-N 3.2Å; K786-A789 PolarHBondContact O-N 2.96Å; A787-A789 PolarHBondContact O-N 2.92Å; A789-Q792 PolarHBondContact O-N 3.41Å; A789-E793 PolarHBondContact O-N 3.4Å
790L84.8Confident81.3Confident113 Ų11359.3 Ų59.359%0.59234%0.335SS*.Hα-helixtrans-67.5-40.4176.9-72.8171.1000112.2K786 A787 D788 Q792 E793 A794K786-L790 WeakPolarHBondContact O-CG 3.31Å; K786-L790 PolarHBondContact O-N 3.37Å; A787-L790 PolarHBondContact O-N 2.99Å; D788-L790 PolarHBondContact O-N 3.4Å; L790-Q792 VanDerWaalsContact C-N 3.26Å; L790-Q792 PolarHBondContact O-N 2.92Å; L790-E793 PolarHBondContact O-N 3Å; L790-A794 VanDerWaalsContact O-CB 3.31Å; L790-A794 WeakPolarHBondContact O-CB 3.49Å; L790-A794 PolarHBondContact O-N 3.27Å
791F80.8Confident80.3Confident107 Ų10759.6 Ų59.647%0.46934%0.342SS..Hα-helixtrans-62.6-36.9175.9-81-59.3000111.9A787 D788 S795 L814A787-F791 HydrophobicContact CB-CD2 4.46Å; A787-F791 HydrophobicContact CB-CE2 4.29Å; A787-F791 WeakPolarHBondContact O-CD2 3.06Å; A787-F791 PolarHBondContact O-N 3.45Å; D788-F791 PolarHBondContact O-N 2.75Å; F791-S795 VanDerWaalsContact O-CB 3.3Å; F791-S795 WeakPolarHBondContact O-CB 3.21Å; F791-S795 PolarHBondContact O-N 2.86Å; F791-S795 PolarHBondContact O-OG 3.06Å; F791-L814 HydrophobicContact CD1-CD1 4.24Å; F791-L814 HydrophobicContact CE1-CD1 3.83Å; F791-L814 HydrophobicContact CE1-CD2 4.39Å
792Q76.1Confident78.9Confident18 Ų1863.5 Ų63.58%0.08438%0.382CS..Hα-helixtrans-70.9-46.5176.7-176.1177-9.900112.3K54 R55 D788 A789 L790 A794 S795 E796K54-Q792 PolarHBondContact O-NE2 3.44Å; K54-Q792 PolarHBondContact O-OE1 3.14Å; R55-Q792 VanDerWaalsContact CA-OE1 3.3Å; D788-Q792 PolarHBondContact O-N 3.22Å; A789-Q792 PolarHBondContact O-N 3.41Å; L790-Q792 VanDerWaalsContact C-N 3.26Å; L790-Q792 PolarHBondContact O-N 2.92Å; Q792-A794 PolarHBondContact O-N 3.43Å; Q792-S795 CarbonylContact O-C 3.42Å; Q792-S795 WeakPolarHBondContact O-CA 3.15Å; Q792-S795 WeakPolarHBondContact O-CB 3.14Å; Q792-S795 PolarHBondContact O-N 3.31Å; Q792-E796 HydrophobicContact CG-CG 4.42Å; Q792-E796 PolarHBondContact NE2-OE1 2.92Å; Q792-E796 WeakPolarHBondContact O-CG 3.39Å; Q792-E796 PolarHBondContact O-N 2.89Å
793E79.6Confident77.5Confident109 Ų10966.1 Ų66.151%0.50940%0.4SS..Hα-helixtrans-56.6-43.3175.2-173.3175.2-177.500110.5A789 L790 E796 M797A789-E793 PolarHBondContact O-N 3.4Å; L790-E793 PolarHBondContact O-N 3Å; E793-E796 PolarHBondContact O-N 2.92Å; E793-M797 HydrophobicContact CG-CE 4.33Å; E793-M797 WeakPolarHBondContact O-CG 3.38Å; E793-M797 PolarHBondContact O-N 3.14Å
794A79.8Confident75.8Confident35 Ų3572.3 Ų72.329%0.28943%0.425SS..Hα-helixtrans-61.7-43.5172.500000112.7L790 Q792 E796 M797 I798L790-A794 VanDerWaalsContact O-CB 3.31Å; L790-A794 WeakPolarHBondContact O-CB 3.49Å; L790-A794 PolarHBondContact O-N 3.27Å; Q792-A794 PolarHBondContact O-N 3.43Å; A794-E796 PolarHBondContact O-N 3.14Å; A794-M797 PolarHBondContact O-N 3.43Å; A794-I798 WeakPolarHBondContact O-CB 3.16Å; A794-I798 WeakPolarHBondContact O-CD1 3.3Å; A794-I798 WeakPolarHBondContact O-CG1 3.47Å; A794-I798 PolarHBondContact O-N 2.84Å
795S73.2Confident74.7Confident22 Ų2273.5 Ų73.515%0.15443%0.433CS..Hα-helixtrans-64.7-38.5178.8-65.40000112.4F791 Q792 I798 S799F791-S795 VanDerWaalsContact O-CB 3.3Å; F791-S795 WeakPolarHBondContact O-CB 3.21Å; F791-S795 PolarHBondContact O-N 2.86Å; F791-S795 PolarHBondContact O-OG 3.06Å; Q792-S795 CarbonylContact O-C 3.42Å; Q792-S795 WeakPolarHBondContact O-CA 3.15Å; Q792-S795 WeakPolarHBondContact O-CB 3.14Å; Q792-S795 PolarHBondContact O-N 3.31Å; S795-I798 PolarHBondContact O-N 2.93Å; S795-S799 WeakPolarHBondContact O-CB 3.45Å; S795-S799 PolarHBondContact O-N 3.22Å
796E77.4Confident73.7Confident103 Ų10377.9 Ų77.948%0.48146%0.457SS..Hα-helixtrans-66.6-43.2175.6-73.5176.1-170.400110.7Q792 E793 A794 I798 S799Q792-E796 HydrophobicContact CG-CG 4.42Å; Q792-E796 PolarHBondContact NE2-OE1 2.92Å; Q792-E796 WeakPolarHBondContact O-CG 3.39Å; Q792-E796 PolarHBondContact O-N 2.89Å; E793-E796 PolarHBondContact O-N 2.92Å; A794-E796 PolarHBondContact O-N 3.14Å; E796-I798 VanDerWaalsContact C-N 3.3Å; E796-I798 PolarHBondContact O-N 2.71Å; E796-S799 PolarHBondContact O-N 2.93Å; E796-S799 PolarHBondContact O-OG 2.88Å
797M78.4Confident72.4Confident133 Ų13379.2 Ų79.266%0.65547%0.468SS*.Hα-helixtrans-62.4-35.1174.4-73.4-171-69.400113.3E793 A794E793-M797 HydrophobicContact CG-CE 4.33Å; E793-M797 WeakPolarHBondContact O-CG 3.38Å; E793-M797 PolarHBondContact O-N 3.14Å; A794-M797 PolarHBondContact O-N 3.43Å
798I75.8Confident71Confident41 Ų4178.8 Ų78.821%0.2146%0.463CS..Hα-helixtrans-79.7-27.6178.7-66.8166.2000111.2A794 S795 E796 G800 V801 A811A794-I798 WeakPolarHBondContact O-CB 3.16Å; A794-I798 WeakPolarHBondContact O-CD1 3.3Å; A794-I798 WeakPolarHBondContact O-CG1 3.47Å; A794-I798 PolarHBondContact O-N 2.84Å; S795-I798 PolarHBondContact O-N 2.93Å; E796-I798 VanDerWaalsContact C-N 3.3Å; E796-I798 PolarHBondContact O-N 2.71Å; I798-G800 PolarHBondContact O-N 3.1Å; I798-V801 WeakPolarHBondContact O-CB 3.42Å; I798-V801 WeakPolarHBondContact O-CG2 3.33Å; I798-V801 PolarHBondContact O-N 3.23Å; I798-A811 HydrophobicContact CD1-CB 3.91Å; I798-A811 HydrophobicContact CG2-CB 4.38Å
799S69.2Low69.9Low82 Ų8282.2 Ų82.257%0.57348%0.477SS*.THydrogen-bonded Turntrans-61.7123.4-179.5740000111.2S795 E796S795-S799 WeakPolarHBondContact O-CB 3.45Å; S795-S799 PolarHBondContact O-N 3.22Å; E796-S799 PolarHBondContact O-N 2.93Å; E796-S799 PolarHBondContact O-OG 2.88Å
800G68.5Low68.7Low86 Ų8686 Ų8689%0.88749%0.493SS*.THydrogen-bonded Turntrans94.2-8.2-176.300000115.2I798 G802I798-G800 PolarHBondContact O-N 3.1Å; G800-G802 PolarHBondContact O-N 2.74Å; G800-G802 VanDerWaalsContact O-N 3.13Å
801V71.6Confident67.2Low74 Ų7481 Ų8145%0.44847%0.468SS..  trans-75.4101.9171.5-177.60000108.7I798 T803I798-V801 WeakPolarHBondContact O-CB 3.42Å; I798-V801 WeakPolarHBondContact O-CG2 3.33Å; I798-V801 PolarHBondContact O-N 3.23Å; V801-T803 WeakPolarHBondContact CG1-OG1 3.3Å; V801-T803 PolarHBondContact O-N 2.62Å
802G59.1Low65.9Low85 Ų8580 Ų8088%0.87647%0.467SS*.  trans-67.21.3-175.900000116.1G800G800-G802 PolarHBondContact O-N 2.74Å; G800-G802 VanDerWaalsContact O-N 3.13Å
803T59.5Low64.8Low91 Ų9188 Ų8856%0.55850%0.498SS*.SBendtrans-89124173.152.30000109.6V801 S805V801-T803 WeakPolarHBondContact CG1-OG1 3.3Å; V801-T803 PolarHBondContact O-N 2.62Å; T803-S805 PolarHBondContact O-N 2.83Å
804K54.7Low63.5Low187 Ų18787.4 Ų87.481%0.81350%0.498SS*.  trans-66.253.8167.5-69.3-177.1177.2179.20110.8
805S61.9Low62Low43 Ų4391.5 Ų91.530%0.30151%0.509SS..  trans-62.5149.7171.1710000108.7T803 L807 S808 Q809T803-S805 PolarHBondContact O-N 2.83Å; S805-L807 PolarHBondContact O-N 3.23Å; S805-S808 WeakPolarHBondContact O-CB 3.45Å; S805-S808 PolarHBondContact O-N 2.68Å; S805-S808 PolarHBondContact OG-N 2.74Å; S805-Q809 PolarHBondContact O-N 3.48Å
806L63Low60.5Low125 Ų125100 Ų10065%0.65454%0.539SS*.Hα-helixtrans-49.8-33.8173.9-156.195.3000110.9Q809 M810L806-Q809 PolarHBondContact O-N 3.44Å; L806-M810 HydrophobicContact CD2-SD 3.92Å; L806-M810 HydrophobicContact CG-SD 4.41Å; L806-M810 WeakPolarHBondContact O-CB 3.4Å; L806-M810 WeakPolarHBondContact O-CG 3.44Å; L806-M810 PolarHBondContact O-N 2.77Å
807L58Low58.7Low116 Ų116103.3 Ų103.361%0.60755%0.552SS**Hα-helixtrans-63.7-39.7175.4-83152.8000113.6S805 M810 A811S805-L807 PolarHBondContact O-N 3.23Å; L807-M810 PolarHBondContact O-N 3.23Å; L807-A811 VanDerWaalsContact O-CB 3.32Å; L807-A811 WeakPolarHBondContact O-CB 3.25Å; L807-A811 PolarHBondContact O-N 2.89Å
808S56.7Low56.8Low26 Ų26102.4 Ų102.418%0.18256%0.556CS.*Hα-helixtrans-65.3-41172.8162.90000111.6S805 A811 D812S805-S808 WeakPolarHBondContact O-CB 3.45Å; S805-S808 PolarHBondContact O-N 2.68Å; S805-S808 PolarHBondContact OG-N 2.74Å; S808-A811 PolarHBondContact O-N 3.35Å; S808-D812 PolarHBondContact O-N 3.5Å; S808-D812 VanDerWaalsContact O-N 3.09Å
809Q58.2Low55Low110 Ų110106.7 Ų106.751%0.51457%0.574SS.*Hα-helixtrans-67-40.1175.5-61.8179.518.300111.8S805 L806 D812 Y813S805-Q809 PolarHBondContact O-N 3.48Å; L806-Q809 PolarHBondContact O-N 3.44Å; Q809-D812 PolarHBondContact O-N 3.25Å; Q809-Y813 WeakPolarHBondContact O-CB 3.13Å; Q809-Y813 PolarHBondContact O-N 2.98Å
810M55.9Low53.3Low100 Ų100106.6 Ų106.649%0.49357%0.573SS.*Hα-helixtrans-65.6-39.9175-73.4175.6101.500111.5L806 L807 D812 Y813 L814L806-M810 HydrophobicContact CD2-SD 3.92Å; L806-M810 HydrophobicContact CG-SD 4.41Å; L806-M810 WeakPolarHBondContact O-CB 3.4Å; L806-M810 WeakPolarHBondContact O-CG 3.44Å; L806-M810 PolarHBondContact O-N 2.77Å; L807-M810 PolarHBondContact O-N 3.23Å; M810-D812 VanDerWaalsContact C-N 3.35Å; M810-D812 PolarHBondContact O-N 3.21Å; M810-Y813 PolarHBondContact O-N 2.86Å; M810-L814 VanDerWaalsContact O-CB 3.27Å; M810-L814 WeakPolarHBondContact O-CB 3.38Å; M810-L814 WeakPolarHBondContact O-CD1 3.22Å; M810-L814 WeakPolarHBondContact O-CG 3.38Å; M810-L814 PolarHBondContact O-N 3.02Å
811A54Low51.8Low8 Ų8105.2 Ų105.27%0.06655%0.548CS..Hα-helixtrans-61.2-43.8175.500000111.3I798 L807 S808 L814 K815I798-A811 HydrophobicContact CD1-CB 3.91Å; I798-A811 HydrophobicContact CG2-CB 4.38Å; L807-A811 VanDerWaalsContact O-CB 3.32Å; L807-A811 WeakPolarHBondContact O-CB 3.25Å; L807-A811 PolarHBondContact O-N 2.89Å; S808-A811 PolarHBondContact O-N 3.35Å; A811-L814 PolarHBondContact O-N 3.43Å; A811-K815 WeakPolarHBondContact O-CG 3.33Å; A811-K815 PolarHBondContact O-N 2.65Å
812D53.7Low49.8Very low86 Ų86110.2 Ų110.246%0.4656%0.564SS.*Hα-helixtrans-68.8-34175.8-71.4-23.5000112.8S808 Q809 M810 K815S808-D812 PolarHBondContact O-N 3.5Å; S808-D812 VanDerWaalsContact O-N 3.09Å; Q809-D812 PolarHBondContact O-N 3.25Å; M810-D812 VanDerWaalsContact C-N 3.35Å; M810-D812 PolarHBondContact O-N 3.21Å; D812-K815 IonicContact OD1-NZ 2.78Å; D812-K815 PolarHBondContact OD1-NZ 2.96Å
813Y53.5Low48.4Very low185 Ų185113.5 Ų113.573%0.72556%0.561SS**Hα-helixtrans-69.3-33.7173.8-153.1-96.7000112.6Q809 M810Q809-Y813 WeakPolarHBondContact O-CB 3.13Å; Q809-Y813 PolarHBondContact O-N 2.98Å; M810-Y813 PolarHBondContact O-N 2.86Å
814L50.7Low47.2Very low98 Ų98113.5 Ų113.551%0.51357%0.569SS.*Hα-helixtrans-78.6-31.4179.3-73.5165.9000112.7F791 M810 A811 Y816F791-L814 HydrophobicContact CD1-CD1 4.24Å; F791-L814 HydrophobicContact CE1-CD1 3.83Å; F791-L814 HydrophobicContact CE1-CD2 4.39Å; M810-L814 VanDerWaalsContact O-CB 3.27Å; M810-L814 WeakPolarHBondContact O-CB 3.38Å; M810-L814 WeakPolarHBondContact O-CD1 3.22Å; M810-L814 WeakPolarHBondContact O-CG 3.38Å; M810-L814 PolarHBondContact O-N 3.02Å; A811-L814 PolarHBondContact O-N 3.43Å; L814-Y816 PolarHBondContact O-N 3Å; L814-Y816 VanDerWaalsContact O-N 3.08Å
815K49.8Very low45.8Very low120 Ų120107.8 Ų107.852%0.52256%0.564SS.*THydrogen-bonded Turntrans-56.6-22.9174.5-81.6174.4-168158.70113.9A811 D812A811-K815 WeakPolarHBondContact O-CG 3.33Å; A811-K815 PolarHBondContact O-N 2.65Å; D812-K815 IonicContact OD1-NZ 2.78Å; D812-K815 PolarHBondContact OD1-NZ 2.96Å
816Y42.2Very low44Very low201 Ų201110.9 Ų110.979%0.78858%0.576SS**THydrogen-bonded Turntrans-109.49-165.9-97.4-78.1000117L814 P818L814-Y816 PolarHBondContact O-N 3Å; L814-Y816 VanDerWaalsContact O-N 3.08Å; Y816-P818 WeakPolarHBondContact O-CD 3.49Å
817K39.3Very low42.3Very low173 Ų173112.1 Ų112.175%0.75258%0.584SS**  trans-98.795.4164.3-83-171.2177.7179.40109.8F819K817-F819 PolarHBondContact O-N 3.23Å
818P36.8Very low40.8Very low113 Ų113113.6 Ų113.673%0.73459%0.592SS**  trans-54.1132.2155.225.2-31000106.7Y816 S820Y816-P818 WeakPolarHBondContact O-CD 3.49Å; P818-S820 VanDerWaalsContact C-N 3.33Å; P818-S820 PolarHBondContact O-N 2.66Å
819F39Very low39.5Very low132 Ų132116.6 Ų116.658%0.57961%0.609SS**  trans-55.896.5-179.8-156.1-90.9000108.5K817 P821K817-F819 PolarHBondContact O-N 3.23Å; F819-P821 WeakPolarHBondContact O-CD 3.48Å
820S33.7Very low38.1Very low80 Ų80119 Ų11956%0.55963%0.626SS**  trans-77.8117.5172.766.20000106.7P818 K822P818-S820 VanDerWaalsContact C-N 3.33Å; P818-S820 PolarHBondContact O-N 2.66Å; S820-K822 PolarHBondContact O-N 2.95Å
821P36.9Very low36.7Very low56 Ų56121 Ų12136%0.36464%0.638SS.*G310 helixtrans-671.6-174.5-15.528.1000114.1L34 E35 F819 L823 A824L34-P821 WeakPolarHBondContact O-CG 3.45Å; E35-P821 WeakPolarHBondContact O-CG 3.18Å; F819-P821 WeakPolarHBondContact O-CD 3.48Å; P821-L823 PolarHBondContact O-N 2.63Å; P821-A824 PolarHBondContact O-N 3.24Å; P821-A824 VanDerWaalsContact O-N 3.07Å
822K28.8Very low35.4Very low180 Ų180125.6 Ų125.678%0.78367%0.665SS**G310 helixtrans-64.3-3179.9-73.5-169.9176.4-179.10114.8S820S820-K822 PolarHBondContact O-N 2.95Å
823L30.8Very low34Very low154 Ų154130.2 Ų130.281%0.80668%0.681SS**G310 helixtrans-83-17.2170-124.179.7000114.2P821 G825P821-L823 PolarHBondContact O-N 2.63Å; L823-G825 VanDerWaalsContact C-N 3.3Å; L823-G825 PolarHBondContact O-N 3.38Å
824A33.2Very low32.8Very low90 Ų90130.8 Ų130.874%0.74469%0.688SS**THydrogen-bonded Turntrans-80.7-8.317900000113.9P821P821-A824 PolarHBondContact O-N 3.24Å; P821-A824 VanDerWaalsContact O-N 3.07Å
825G26Very low31.6Very low67 Ų67136.9 Ų136.969%0.69170%0.704SS**THydrogen-bonded Turntrans-101.5-7.2-177.600000115.9L823 N827L823-G825 VanDerWaalsContact C-N 3.3Å; L823-G825 PolarHBondContact O-N 3.38Å; G825-N827 PolarHBondContact O-N 2.84Å
826L25Very low30.5Very low108 Ų108136.7 Ų136.757%0.56572%0.718SS**  trans-96.767.7-178.8-78.4160.5000111.1N828 V829L826-N828 PolarHBondContact O-N 3.49Å; L826-V829 HydrophobicContact CB-CG2 4.04Å
827N27.3Very low29.8Very low151 Ų151136.7 Ų136.781%0.80772%0.722SS**  trans-7066.5152.1-82.9-16.3000108.6G825G825-N827 PolarHBondContact O-N 2.84Å
828N26.1Very low29.2Very low147 Ų147131.8 Ų131.879%0.78672%0.721SS**  trans-176.458.9164.1-99.3-15.4000109.9L826L826-N828 PolarHBondContact O-N 3.49Å
829V29.4Very low29Very low89 Ų89129.7 Ų129.754%0.53971%0.713SS.*  trans-106.262.6167.7-170.30000109L826 V832L826-V829 HydrophobicContact CB-CG2 4.04Å; V829-V832 HydrophobicContact CG1-CB 4.24Å; V829-V832 HydrophobicContact CG1-CG2 3.78Å
830N28.4Very low28.5Very low161 Ų161130.9 Ų130.986%0.86173%0.726SS**SBendtrans-102.115.1158.8-92.7-5.5000111.5
831N25.7Very low28.5Very low142 Ų142136 Ų13676%0.75974%0.738SS**  trans-144.928.1-174.2-98.5-22.8000115.8K833N831-K833 VanDerWaalsContact C-N 3.33Å; N831-K833 PolarHBondContact O-N 2.88Å
832V27.9Very low28.3Very low105 Ų105140.5 Ų140.564%0.63676%0.759SS**  trans-87.584.6161.6-179.50000107.6V829 F834V829-V832 HydrophobicContact CG1-CB 4.24Å; V829-V832 HydrophobicContact CG1-CG2 3.78Å; V832-F834 PolarHBondContact O-N 3.32Å; V832-F834 VanDerWaalsContact O-N 3.08Å
833K24.7Very low28.5Very low183 Ų183140.4 Ų140.480%0.79676%0.762SS**  trans-59.2108.1161.5-76.6-177.1176-178.70107N831 R835N831-K833 VanDerWaalsContact C-N 3.33Å; N831-K833 PolarHBondContact O-N 2.88Å; K833-R835 PolarHBondContact O-N 3.3Å
834F28.1Very low28.7Very low196 Ų196141 Ų14186%0.8677%0.765SS**  trans-55.6106.9163.3-88.3-95.7000107.2V832 S836V832-F834 PolarHBondContact O-N 3.32Å; V832-F834 VanDerWaalsContact O-N 3.08Å; F834-S836 PolarHBondContact O-N 3.29Å; F834-S836 VanDerWaalsContact O-N 3.09Å
835R24.3Very low28.7Very low227 Ų227144.4 Ų144.486%0.85777%0.766SS**  trans-64.7109.7164.6-80.8-175.8172.6-177.8-2.5105.8K833 F837K833-R835 PolarHBondContact O-N 3.3Å; R835-F837 PolarHBondContact O-N 2.97Å
836S26.1Very low29.2Very low115 Ų115147.9 Ų147.980%0.80477%0.769SS**  trans-52.5107.1165.7530000108.3F834 G838F834-S836 PolarHBondContact O-N 3.29Å; F834-S836 VanDerWaalsContact O-N 3.09Å; S836-G838 PolarHBondContact O-N 2.99Å
837F29.5Very low29.7Very low201 Ų201150 Ų15088%0.88278%0.78SS**  trans-74.7100.7156.7-96-91.2000105.9R835 A839R835-F837 PolarHBondContact O-N 2.97Å; F837-A839 PolarHBondContact O-N 3.49Å
838G24.9Very low30.2Very low71 Ų71153 Ų15373%0.73279%0.786SS**  trans-61.1116.6161.900000107.9S836S836-G838 PolarHBondContact O-N 2.99Å
839A33.2Very low31Very low69 Ų69153.2 Ų153.257%0.5781%0.809SS**  trans-123.5108151.600000103.5F837 F841F837-A839 PolarHBondContact O-N 3.49Å; A839-F841 HydrophobicContact CB-CD2 4.27Å; A839-F841 HydrophobicContact CB-CE2 4.04Å; A839-F841 PolarHBondContact O-N 2.92Å
840D28.2Very low31.1Very low157 Ų157156.5 Ų156.584%0.8482%0.822SS**  trans-49.7110.5171.5-60.1-49.1000108.1
841F33.3Very low31.2Very low187 Ų187156.2 Ų156.282%0.8282%0.82SS**  trans-121.5107.3160.1-79.5-78.6000104.8A839A839-F841 HydrophobicContact CB-CD2 4.27Å; A839-F841 HydrophobicContact CB-CE2 4.04Å; A839-F841 PolarHBondContact O-N 2.92Å
842D33.6Very low31.5Very low150 Ų150157 Ų15780%0.80282%0.823SS**  trans-44.1137.4179.2-71.7-54.8000111.3D844D842-D844 PolarHBondContact O-N 3.09Å
843E32.3Very low31.7Very low179 Ų179160.1 Ų160.184%0.83683%0.834SS**  trans-61.993173.4-66.4171.915200109.2E845E843-E845 PolarHBondContact O-N 3.28Å
844D34.6Very low32.2Very low165 Ų165158.6 Ų158.688%0.88284%0.837SS**  trans-73.981.5157.3-79.7-30.6000107.7D842 D846D842-D844 PolarHBondContact O-N 3.09Å; D844-D846 PolarHBondContact O-N 3.01Å; D844-D846 VanDerWaalsContact O-N 3.17Å
845E33.9Very low32.4Very low163 Ų163156.1 Ų156.176%0.76284%0.835SS**  trans-55.8105.7154.1-70.6-171.8148.800107.9E843E843-E845 PolarHBondContact O-N 3.28Å
846D36.3Very low33Very low139 Ų139151.1 Ų151.174%0.74383%0.834SS**  trans155.487.3147.4-80-23.1000111D844D844-D846 PolarHBondContact O-N 3.01Å; D844-D846 VanDerWaalsContact O-N 3.17Å
847L36.6Very low33.5Very low152 Ų152153.8 Ų153.880%0.79684%0.836SS**SBendtrans-138.39.9158.3-14781.9000114.4
848F37.2Very low33.9Very low214 Ų214149.9 Ų149.994%0.93983%0.832SS**  trans-135.336.3173.8-73.6-72.8000113.3
849A42.5Very low34.7Very low153 Ų153157.1 Ų157.1100%1.26484%0.841SS**  trans-90.70144.100000108

Retrieved 849 of 849 residues in 1309.8 ms (Link to these results)

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