A0A077Z4I1_TRITR Loading...

RRM 6 and RRP7 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4I1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M73.1Confident79.9Confident172 Ų17282.3 Ų82.385%0.84738%0.384SS*.  0129.10-100.9-175.1-91.400107.2V20 K21M1-V20 CarbonylContact C-O 3.57Å; M1-V20 VanDerWaalsContact CA-O 3.29Å; M1-V20 WeakPolarHBondContact CA-O 3.26Å; M1-K21 HydrophobicContact CG-CD 4.44Å; M1-K21 HydrophobicContact CG-CG 3.68Å; M1-K21 HydrophobicContact SD-CD 4.46Å; M1-K21 WeakPolarHBondContact SD-CE 3.47Å; M1-K21 HydrophobicContact SD-CG 4.27Å
2A82.4Confident79.5Confident13 Ų1380.2 Ų80.211%0.10738%0.381CS..EExtended strand (participates in β ladder)trans-114.2155.6172.900000109.9V20 V100 F101A2-V20 HydrophobicContact CB-CB 4.21Å; A2-V20 PolarHBondContact N-O 3.22Å; A2-V20 PolarHBondContact O-N 3.3Å; A2-V100 WeakPolarHBondContact CB-O 3.36Å; A2-F101 HydrophobicContact CB-CD1 3.73Å; A2-F101 HydrophobicContact CB-CE1 4.34Å
3V84.8Confident79.6Confident64 Ų6485.5 Ų85.539%0.38841%0.413SS..EExtended strand (participates in β ladder)trans-118117.3178.3179.60000108R5 E17 L18V3-R5 HydrophobicContact CG1-CG 4.25Å; V3-E17 HydrophobicContact CG1-CB 3.99Å; V3-E17 HydrophobicContact CG1-CG 4.32Å; V3-L18 WeakPolarHBondContact CA-O 3.47Å
4V84.6Confident79.8Confident2 Ų285.4 Ų85.41%0.01242%0.42CS..EExtended strand (participates in β ladder)trans-99.2116.7177.1161.30000108.2L18 V20 L57 F58 F61 V100 D105V4-L18 HydrophobicContact CB-CB 4.12Å; V4-L18 HydrophobicContact CG1-CB 4.37Å; V4-L18 HydrophobicContact CG1-CD1 4.16Å; V4-L18 PolarHBondContact N-O 3.12Å; V4-L18 PolarHBondContact O-N 3.33Å; V4-V20 HydrophobicContact CB-CG2 4.22Å; V4-V20 HydrophobicContact CG2-CG2 3.72Å; V4-L57 HydrophobicContact CG1-CD2 4.49Å; V4-F58 HydrophobicContact CG2-CE1 4.44Å; V4-F61 HydrophobicContact CG2-CE2 4.19Å; V4-F61 HydrophobicContact CG2-CZ 3.98Å; V4-V100 HydrophobicContact CG2-CG1 4.46Å; V4-D105 VanDerWaalsContact CG1-OD2 3.27Å; V4-D105 WeakPolarHBondContact CG1-OD2 3.46Å
5R85.1Confident80.1Confident121 Ų12183.4 Ų83.446%0.45742%0.415SS..EExtended strand (participates in β ladder)trans-100.4128.9-178.9-68.7-178.1165.4163.4-0.4110.1V3 V15 H16 E17 G107 R108V3-R5 HydrophobicContact CG1-CG 4.25Å; R5-V15 HydrophobicContact CB-CG1 3.73Å; R5-V15 HydrophobicContact CG-CG1 4.07Å; R5-H16 WeakPolarHBondContact CA-O 3.48Å; R5-E17 HydrophobicContact CG-CG 4.2Å; R5-E17 IonicContact CZ-OE1 3.92Å; R5-E17 VanDerWaalsContact CZ-OE1 3.27Å; R5-E17 IonicContact NE-OE1 3.53Å; R5-E17 PolarHBondContact NE-OE1 3.06Å; R5-E17 IonicContact NH2-OE1 3.96Å; R5-E17 PolarHBondContact NH2-OE1 3.38Å; R5-G107 WeakPolarHBondContact O-CA 3.33Å; R5-G107 PolarHBondContact O-N 3.44Å; R5-R108 PolarHBondContact O-N 2.94Å
6F84.9Confident80.4Confident0 Ų081.4 Ų81.40%040%0.404CS..EExtended strand (participates in β ladder)trans-139.6155.7176.678.4-83.5000113I8 H16 L18 P46 L57 R108 V110F6-I8 HydrophobicContact CE2-CG1 4.22Å; F6-H16 HydrophobicContact CD1-CB 3.85Å; F6-H16 WeakPolarHBondContact CD1-O 3.48Å; F6-H16 HydrophobicContact CE1-CB 3.38Å; F6-H16 HydrophobicContact CE2-CB 4.12Å; F6-H16 HydrophobicContact CG-CB 4.39Å; F6-H16 HydrophobicContact CZ-CB 3.55Å; F6-H16 PolarHBondContact N-O 3.36Å; F6-H16 PolarHBondContact O-N 3.11Å; F6-L18 HydrophobicContact CD1-CD1 3.88Å; F6-L18 HydrophobicContact CD1-CG 3.87Å; F6-L18 HydrophobicContact CE1-CD1 3.76Å; F6-L18 HydrophobicContact CE1-CD2 3.81Å; F6-L18 HydrophobicContact CE1-CG 3.56Å; F6-P46 HydrophobicContact CZ-CG 3.99Å; F6-L57 HydrophobicContact CB-CD2 3.61Å; F6-L57 HydrophobicContact CD1-CD2 4.37Å; F6-L57 HydrophobicContact CG-CD1 4.42Å; F6-L57 HydrophobicContact CG-CD2 3.95Å; F6-R108 CarbonylContact C-O 3.53Å; F6-R108 VanDerWaalsContact CA-O 3.3Å; F6-R108 WeakPolarHBondContact CA-O 3.5Å; F6-V110 HydrophobicContact CB-CG2 4.09Å; F6-V110 HydrophobicContact CD2-CB 4.48Å; F6-V110 HydrophobicContact CD2-CG2 4.11Å; F6-V110 HydrophobicContact CG-CG2 4.45Å
7R83.6Confident80.8Confident87 Ų8781.4 Ų81.433%0.32840%0.402SS..EExtended strand (participates in β ladder)trans-115.5145.6175.3-61.9-179.9-172.1-175.42.9108.9V15 G107 R108 A109 V110R7-V15 HydrophobicContact CG-CG2 4.1Å; R7-G107 WeakPolarHBondContact CG-O 3.33Å; R7-R108 PolarHBondContact N-O 3.15Å; R7-A109 CarbonylContact O-C 3.59Å; R7-A109 VanDerWaalsContact O-CA 3.29Å; R7-A109 WeakPolarHBondContact O-CA 3.5Å; R7-V110 PolarHBondContact O-N 3.36Å
8I79.1Confident81.1Confident46 Ų4676.9 Ų76.924%0.23638%0.38CS..SBendtrans-84.9-39.1176.5-61.1171.9000110.8F6 H16 Y48 V110 L112F6-I8 HydrophobicContact CE2-CG1 4.22Å; I8-H16 WeakPolarHBondContact CD1-NE2 3.29Å; I8-Y48 HydrophobicContact CD1-CE2 3.57Å; I8-Y48 VanDerWaalsContact CD1-OH 3.28Å; I8-Y48 WeakPolarHBondContact CD1-OH 3.47Å; I8-Y48 HydrophobicContact CG1-CE2 4.25Å; I8-V110 VanDerWaalsContact O-O 3.1Å; I8-L112 HydrophobicContact CG2-CD1 3.48Å; I8-L112 VanDerWaalsContact CG2-CD1 3.48Å; I8-L112 HydrophobicContact CG2-CG 3.88Å
9T75.6Confident81.4Confident58 Ų5877.6 Ų77.636%0.35638%0.382SS..  trans-125.6137.7-176.755.20000108.9N11 T12T9-N11 PolarHBondContact O-N 3.48Å; T9-T12 PolarHBondContact O-N 3.25Å; T9-T12 WeakPolarHBondContact OG1-CB 3.23Å; T9-T12 WeakPolarHBondContact OG1-CG2 3.34Å; T9-T12 PolarHBondContact OG1-OG1 3.03Å
10W71.9Confident81.7Confident216 Ų21673.7 Ų73.782%0.81836%0.363SS*.THydrogen-bonded Turntrans-59.2-2817656.1-87.8000113
11N74Confident81.9Confident126 Ų12674.2 Ų74.267%0.67436%0.363SS*.THydrogen-bonded Turntrans-91.50.2-174.7-161.319.4000114.9T9T9-N11 PolarHBondContact O-N 3.48Å
12T75.1Confident82.3Confident57 Ų5768.9 Ų68.935%0.3534%0.343SS..  trans-115.1143.1177.968.90000111.5T9 V14T9-T12 PolarHBondContact O-N 3.25Å; T9-T12 WeakPolarHBondContact OG1-CB 3.23Å; T9-T12 WeakPolarHBondContact OG1-CG2 3.34Å; T9-T12 PolarHBondContact OG1-OG1 3.03Å; T12-V14 PolarHBondContact O-N 3.49Å
13N80.2Confident82Confident149 Ų14969.4 Ų69.480%0.79734%0.344SS*.  trans-80.58174.2-67.6-31.3000112.6V15N13-V15 PolarHBondContact O-N 2.9Å
14V82.3Confident81.2Confident84 Ų8471.4 Ų71.451%0.50935%0.352SS..  trans-78.8110.4-179-176.70000108.8T12T12-V14 PolarHBondContact O-N 3.49Å
15V84.4Confident79.8Confident56 Ų5677.2 Ų77.234%0.33938%0.383SS..EExtended strand (participates in β ladder)trans-101.5127.1176.4-177.60000108.7R5 R7 N13R5-V15 HydrophobicContact CB-CG1 3.73Å; R5-V15 HydrophobicContact CG-CG1 4.07Å; R7-V15 HydrophobicContact CG-CG2 4.1Å; N13-V15 PolarHBondContact O-N 2.9Å
16H85Confident78.3Confident52 Ų5281 Ų8124%0.24140%0.403CS..EExtended strand (participates in β ladder)trans-96.2134.3170.3-66.2-78.1000109.4R5 F6 I8 Y48R5-H16 WeakPolarHBondContact CA-O 3.48Å; F6-H16 HydrophobicContact CD1-CB 3.85Å; F6-H16 WeakPolarHBondContact CD1-O 3.48Å; F6-H16 HydrophobicContact CE1-CB 3.38Å; F6-H16 HydrophobicContact CE2-CB 4.12Å; F6-H16 HydrophobicContact CG-CB 4.39Å; F6-H16 HydrophobicContact CZ-CB 3.55Å; F6-H16 PolarHBondContact N-O 3.36Å; F6-H16 PolarHBondContact O-N 3.11Å; I8-H16 WeakPolarHBondContact CD1-NE2 3.29Å; H16-Y48 PolarHBondContact CE1-OH 3.28Å; H16-Y48 VanDerWaalsContact CE1-OH 3.29Å; H16-Y48 PolarHBondContact NE2-OH 3.07Å
17E86.9Confident76.7Confident81 Ų8183.3 Ų83.338%0.37942%0.419SS..EExtended strand (participates in β ladder)trans-107.3117.3179.3-56.4-163.2142.300110V3 R5 N44V3-E17 HydrophobicContact CG1-CB 3.99Å; V3-E17 HydrophobicContact CG1-CG 4.32Å; R5-E17 HydrophobicContact CG-CG 4.2Å; R5-E17 IonicContact CZ-OE1 3.92Å; R5-E17 VanDerWaalsContact CZ-OE1 3.27Å; R5-E17 IonicContact NE-OE1 3.53Å; R5-E17 PolarHBondContact NE-OE1 3.06Å; R5-E17 IonicContact NH2-OE1 3.96Å; R5-E17 PolarHBondContact NH2-OE1 3.38Å; E17-N44 PolarHBondContact O-ND2 3.48Å
18L87.1Confident75.1Confident1 Ų184.9 Ų84.91%0.00544%0.438CS..EExtended strand (participates in β ladder)trans-92.4133.1169.8-60.4175.4000108.7V3 V4 F6 V42 N44 V45 L57V3-L18 WeakPolarHBondContact CA-O 3.47Å; V4-L18 HydrophobicContact CB-CB 4.12Å; V4-L18 HydrophobicContact CG1-CB 4.37Å; V4-L18 HydrophobicContact CG1-CD1 4.16Å; V4-L18 PolarHBondContact N-O 3.12Å; V4-L18 PolarHBondContact O-N 3.33Å; F6-L18 HydrophobicContact CD1-CD1 3.88Å; F6-L18 HydrophobicContact CD1-CG 3.87Å; F6-L18 HydrophobicContact CE1-CD1 3.76Å; F6-L18 HydrophobicContact CE1-CD2 3.81Å; F6-L18 HydrophobicContact CE1-CG 3.56Å; L18-V42 HydrophobicContact CB-CG1 3.95Å; L18-V42 HydrophobicContact CD1-CG1 4.19Å; L18-V42 HydrophobicContact CD2-CG1 4.34Å; L18-V42 HydrophobicContact CG-CG1 4.38Å; L18-N44 WeakPolarHBondContact CD2-O 3.44Å; L18-V45 HydrophobicContact CD2-CB 4.45Å; L18-V45 HydrophobicContact CD2-CG2 4.09Å; L18-L57 HydrophobicContact CD1-CD1 4.19Å
19Q85.6Confident73.8Confident89 Ų8988 Ų8842%0.41646%0.459SS..EExtended strand (participates in β ladder)trans-97.9122.3177.3-71.7-178.8-7.600109.6V43Q19-V43 HydrophobicContact CB-CB 4.13Å; Q19-V43 PolarHBondContact N-O 3.21Å; Q19-V43 PolarHBondContact O-N 2.85Å
20V87.7Confident72.7Confident0 Ų087.9 Ų87.90%046%0.456CS..EExtended strand (participates in β ladder)trans-108.2126.6-174.4-173.70000110.1M1 A2 V4 V40 I41 F58 V100 F101M1-V20 CarbonylContact C-O 3.57Å; M1-V20 VanDerWaalsContact CA-O 3.29Å; M1-V20 WeakPolarHBondContact CA-O 3.26Å; A2-V20 HydrophobicContact CB-CB 4.21Å; A2-V20 PolarHBondContact N-O 3.22Å; A2-V20 PolarHBondContact O-N 3.3Å; V4-V20 HydrophobicContact CB-CG2 4.22Å; V4-V20 HydrophobicContact CG2-CG2 3.72Å; V20-V40 HydrophobicContact CB-CG1 4.45Å; V20-V40 HydrophobicContact CG1-CB 4.48Å; V20-V40 HydrophobicContact CG1-CG1 3.01Å; V20-I41 CarbonylContact C-O 3.53Å; V20-I41 WeakPolarHBondContact CA-O 3.49Å; V20-F58 HydrophobicContact CG2-CE1 4.43Å; V20-F58 HydrophobicContact CG2-CZ 4.37Å; V20-V100 HydrophobicContact CB-CG1 4.41Å; V20-V100 HydrophobicContact CG1-CG1 3.75Å; V20-V100 HydrophobicContact CG2-CG1 4.32Å; V20-F101 HydrophobicContact CG1-CE1 4.14Å; V20-F101 HydrophobicContact CG1-CZ 4.24Å
21K85.4Confident71.7Confident84 Ų8481.7 Ų81.737%0.36546%0.459SS..EExtended strand (participates in β ladder)trans-123.6140.8179.8-70.1-177.9177.4-175.80110.5M1 I41M1-K21 HydrophobicContact CG-CD 4.44Å; M1-K21 HydrophobicContact CG-CG 3.68Å; M1-K21 HydrophobicContact SD-CD 4.46Å; M1-K21 WeakPolarHBondContact SD-CE 3.47Å; M1-K21 HydrophobicContact SD-CG 4.27Å; K21-I41 HydrophobicContact CB-CB 4.22Å; K21-I41 PolarHBondContact N-O 3.04Å; K21-I41 PolarHBondContact O-N 3.18Å
22S83.6Confident70.8Confident60 Ų6083.8 Ų83.842%0.4246%0.462SS..EExtended strand (participates in β ladder)trans-65.9145.8168.250.70000108.9D24S22-D24 PolarHBondContact O-N 3.5Å; S22-D24 PolarHBondContact OG-OD1 2.85Å
23L75.4Confident70.1Confident24 Ų2490.7 Ų90.713%0.12649%0.49CS..  trans-81.4100.8170.3-17468.1000107.9S27 V34 V36 T39 I41L23-S27 WeakPolarHBondContact CD1-OG 3.38Å; L23-V34 HydrophobicContact CD2-CG1 4.22Å; L23-V36 HydrophobicContact CD2-CG1 4.31Å; L23-V36 HydrophobicContact CG-CG1 4.24Å; L23-V36 WeakPolarHBondContact O-CG1 3.35Å; L23-T39 HydrophobicContact CD2-CG2 4.26Å; L23-I41 HydrophobicContact CB-CD1 4.45Å; L23-I41 HydrophobicContact CB-CG1 4.4Å; L23-I41 HydrophobicContact CD1-CD1 3.55Å; L23-I41 HydrophobicContact CD1-CG1 3.93Å
24D67.2Low69.4Low107 Ų10786 Ų8657%0.57247%0.467SS*.  trans-80.4144.7171.4-58.3-20.3000109.2S22 K26 S27S22-D24 PolarHBondContact O-N 3.5Å; S22-D24 PolarHBondContact OG-OD1 2.85Å; D24-K26 PolarHBondContact O-N 2.91Å; D24-S27 PolarHBondContact O-N 3.44Å; D24-S27 PolarHBondContact O-OG 3.36Å; D24-S27 VanDerWaalsContact O-OG 3.1Å
25D56.4Low68.7Low123 Ų12385 Ų8566%0.65846%0.462SS*.G310 helixtrans-48.5-17.5-175.2-75.1-33.8000115S27 V28D25-S27 VanDerWaalsContact C-N 3.29Å; D25-S27 PolarHBondContact O-N 3.22Å; D25-V28 WeakPolarHBondContact O-CG2 3.33Å
26K52.3Low68.1Low201 Ų20184.2 Ų84.287%0.87446%0.458SS*.G310 helixtrans-78.2-3.9-176.5-64.4-177.4-180177.10114.9D24D24-K26 PolarHBondContact O-N 2.91Å
27S51.2Low67.6Low49 Ų4988 Ų8834%0.34348%0.48SS..G310 helixtrans-109.220.2-175.559.40000114.9L23 D24 D25 V29L23-S27 WeakPolarHBondContact CD1-OG 3.38Å; D24-S27 PolarHBondContact O-N 3.44Å; D24-S27 PolarHBondContact O-OG 3.36Å; D24-S27 VanDerWaalsContact O-OG 3.1Å; D25-S27 VanDerWaalsContact C-N 3.29Å; D25-S27 PolarHBondContact O-N 3.22Å; S27-V29 PolarHBondContact O-N 3.43Å
28V51Low67.5Low120 Ų12090.2 Ų90.273%0.72749%0.485SS*.  trans-65.869.8169.1-174.90000110.3D25D25-V28 WeakPolarHBondContact O-CG2 3.33Å
29V51Low67.3Low111 Ų11190.4 Ų90.467%0.67349%0.486SS*.  trans-128.619.3177.8-164.40000110.7S27S27-V29 PolarHBondContact O-N 3.43Å
30L51.9Low67.4Low55 Ų5586.2 Ų86.229%0.28847%0.466SS..SBendtrans-135.454.1-170.5-88.6170.7000114.6K32 P70 L73 Y88L30-K32 PolarHBondContact O-N 2.94Å; L30-P70 HydrophobicContact CD2-CB 4.43Å; L30-L73 HydrophobicContact CD1-CD1 3.62Å; L30-L73 HydrophobicContact CD2-CB 4.41Å; L30-L73 HydrophobicContact CD2-CD1 3.21Å; L30-L73 HydrophobicContact CD2-CD2 4.29Å; L30-L73 HydrophobicContact CD2-CG 3.39Å; L30-L73 HydrophobicContact CG-CD1 3.38Å; L30-L73 HydrophobicContact CG-CG 4.15Å; L30-Y88 HydrophobicContact CD1-CE2 3.68Å; L30-Y88 WeakPolarHBondContact CD1-OH 3.46Å
31G52.1Low67.4Low86 Ų8687.3 Ų87.389%0.88747%0.472SS*.SBendtrans50.14.3144.500000121.5
32K55.9Low67.4Low171 Ų17183.3 Ų83.374%0.74346%0.455SS*.SBendtrans-146138.3177.1-67.2-170.2176.6-170.10107.8L30 V34L30-K32 PolarHBondContact O-N 2.94Å; K32-V34 VanDerWaalsContact C-N 3.28Å; K32-V34 PolarHBondContact O-N 3.33Å
33E58.6Low67.5Low201 Ų20182.6 Ų82.694%0.93945%0.448SS*.  trans-65.284.7179.7-64.6176.9-176.700110.3
34V65.8Low68Low51 Ų5184.7 Ų84.731%0.30946%0.459SS..  trans-89.9120.7177.3175.40000107.6L23 K32 V36 T39 T90L23-V34 HydrophobicContact CD2-CG1 4.22Å; K32-V34 VanDerWaalsContact C-N 3.28Å; K32-V34 PolarHBondContact O-N 3.33Å; V34-V36 PolarHBondContact O-N 2.86Å; V34-T39 HydrophobicContact CG1-CG2 3.5Å; V34-T39 WeakPolarHBondContact CG1-OG1 3.36Å; V34-T90 HydrophobicContact CG1-CG2 4.29Å
35P68.5Low68.9Low63 Ų6379.6 Ų79.641%0.40943%0.432SS..  trans-66.2109.7-17625-33.1000110.5N37 R38 T39P35-N37 PolarHBondContact O-N 3.27Å; P35-R38 HydrophobicContact CB-CB 4.35Å; P35-R38 HydrophobicContact CG-CB 4.29Å; P35-R38 PolarHBondContact O-N 2.92Å; P35-R38 VanDerWaalsContact O-N 3.15Å; P35-T39 WeakPolarHBondContact O-CB 3.43Å; P35-T39 PolarHBondContact O-N 2.93Å; P35-T39 PolarHBondContact O-OG1 3.38Å
36V70.7Confident70.1Confident39 Ų3974.3 Ų74.324%0.23640%0.404CS..G310 helixtrans-56.1-48.7-168.9-174.70000112.2L23 V34 R38 T39L23-V36 HydrophobicContact CD2-CG1 4.31Å; L23-V36 HydrophobicContact CG-CG1 4.24Å; L23-V36 WeakPolarHBondContact O-CG1 3.35Å; V34-V36 PolarHBondContact O-N 2.86Å; V36-R38 PolarHBondContact O-N 2.93Å; V36-T39 PolarHBondContact O-N 3.44Å
37N75.6Confident71.3Confident132 Ų13269.5 Ų69.571%0.70639%0.387SS*.G310 helixtrans-73.3-9.5-174.8-63.5-27.1000114.9P35 A94P35-N37 PolarHBondContact O-N 3.27Å; N37-A94 WeakPolarHBondContact O-CB 3.47Å
38R83.9Confident72.7Confident128 Ų12870.4 Ų70.448%0.48338%0.383SS..G310 helixtrans-113.8-2.3-179-61.8-175.8-172.91691.3112.5P35 V36 F91 A94P35-R38 HydrophobicContact CB-CB 4.35Å; P35-R38 HydrophobicContact CG-CB 4.29Å; P35-R38 PolarHBondContact O-N 2.92Å; P35-R38 VanDerWaalsContact O-N 3.15Å; V36-R38 PolarHBondContact O-N 2.93Å; R38-F91 WeakPolarHBondContact CB-O 3.36Å; R38-F91 PolarHBondContact O-N 3.26Å; R38-A94 HydrophobicContact CG-CB 4.34Å
39T84.1Confident74.2Confident5 Ų564.7 Ų64.73%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-110.7136.5-171.8-52.10000111.8L23 V34 P35 V36 Y88 V89 T90L23-T39 HydrophobicContact CD2-CG2 4.26Å; V34-T39 HydrophobicContact CG1-CG2 3.5Å; V34-T39 WeakPolarHBondContact CG1-OG1 3.36Å; P35-T39 WeakPolarHBondContact O-CB 3.43Å; P35-T39 PolarHBondContact O-N 2.93Å; P35-T39 PolarHBondContact O-OG1 3.38Å; V36-T39 PolarHBondContact O-N 3.44Å; T39-Y88 HydrophobicContact CG2-CD1 4.3Å; T39-V89 WeakPolarHBondContact CA-O 3.37Å; T39-T90 HydrophobicContact CG2-CG2 3.93Å; T39-T90 WeakPolarHBondContact OG1-CG2 3.42Å
40V86.7Confident75.8Confident1 Ų161.8 Ų61.81%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-120.3138.1178.4179.60000109.5V20 V89 F91 A97 F101V20-V40 HydrophobicContact CB-CG1 4.45Å; V20-V40 HydrophobicContact CG1-CB 4.48Å; V20-V40 HydrophobicContact CG1-CG1 3.01Å; V40-V89 PolarHBondContact N-O 3.19Å; V40-V89 PolarHBondContact O-N 3Å; V40-F91 HydrophobicContact CB-CE2 4.14Å; V40-F91 HydrophobicContact CG2-CD2 4.12Å; V40-F91 HydrophobicContact CG2-CE2 3.74Å; V40-A97 HydrophobicContact CG2-CB 3.79Å; V40-F101 HydrophobicContact CG1-CZ 4.32Å; V40-F101 HydrophobicContact CG2-CE2 4.45Å
41I87.1Confident77.5Confident23 Ų2363.2 Ų63.212%0.11833%0.333CS..EExtended strand (participates in β ladder)trans-91.8124.5176.3-57.1171.7000108.9V20 K21 L23 V43 L86 Y88V20-I41 CarbonylContact C-O 3.53Å; V20-I41 WeakPolarHBondContact CA-O 3.49Å; K21-I41 HydrophobicContact CB-CB 4.22Å; K21-I41 PolarHBondContact N-O 3.04Å; K21-I41 PolarHBondContact O-N 3.18Å; L23-I41 HydrophobicContact CB-CD1 4.45Å; L23-I41 HydrophobicContact CB-CG1 4.4Å; L23-I41 HydrophobicContact CD1-CD1 3.55Å; L23-I41 HydrophobicContact CD1-CG1 3.93Å; I41-V43 HydrophobicContact CG2-CG2 4.14Å; I41-L86 HydrophobicContact CG2-CD1 3.53Å; I41-L86 HydrophobicContact CG2-CG 4.29Å; I41-Y88 HydrophobicContact CD1-CE1 4.27Å; I41-Y88 HydrophobicContact CG1-CD1 3.99Å; I41-Y88 HydrophobicContact CG1-CE1 3.75Å
42V86.4Confident79.2Confident0 Ų063.5 Ų63.50%031%0.314CS..EExtended strand (participates in β ladder)trans-110.8115.9176-170.20000109.3L18 V45 F58 A87 V89L18-V42 HydrophobicContact CB-CG1 3.95Å; L18-V42 HydrophobicContact CD1-CG1 4.19Å; L18-V42 HydrophobicContact CD2-CG1 4.34Å; L18-V42 HydrophobicContact CG-CG1 4.38Å; V42-V45 HydrophobicContact CB-CG2 4.11Å; V42-V45 HydrophobicContact CG1-CG2 3.61Å; V42-F58 HydrophobicContact CB-CZ 4.41Å; V42-F58 HydrophobicContact CG1-CE2 4.31Å; V42-F58 HydrophobicContact CG1-CZ 4.09Å; V42-F58 HydrophobicContact CG2-CE1 4.29Å; V42-F58 HydrophobicContact CG2-CE2 3.7Å; V42-F58 HydrophobicContact CG2-CZ 3.4Å; V42-A87 HydrophobicContact CB-CB 4.31Å; V42-A87 PolarHBondContact N-O 3.5Å; V42-A87 PolarHBondContact O-N 2.82Å; V42-V89 HydrophobicContact CG2-CB 4.47Å; V42-V89 HydrophobicContact CG2-CG2 3.65Å
43V86.1Confident80.6Confident45 Ų4555.5 Ų55.527%0.27328%0.28SS..EExtended strand (participates in β ladder)trans-101156.1177.7-1750000108.8Q19 I41 L86Q19-V43 HydrophobicContact CB-CB 4.13Å; Q19-V43 PolarHBondContact N-O 3.21Å; Q19-V43 PolarHBondContact O-N 2.85Å; I41-V43 HydrophobicContact CG2-CG2 4.14Å; V43-L86 HydrophobicContact CB-CD1 4.44Å; V43-L86 HydrophobicContact CG2-CD1 3.71Å
44N85.8Confident82Confident68 Ų6846 Ų4636%0.36424%0.235SC..EExtended strand (participates in β ladder)trans70.527.9179-156.640.8000114.3E17 L18 P46 C84E17-N44 PolarHBondContact O-ND2 3.48Å; L18-N44 WeakPolarHBondContact CD2-O 3.44Å; N44-P46 WeakPolarHBondContact O-CD 3.39Å; N44-C84 PolarHBondContact OD1-SG 3.42Å
45V85.4Confident83.1Confident0 Ų046.6 Ų46.60%023%0.234CC..EExtended strand (participates in β ladder)trans-71.6121.6177.9178.60000109.7L18 V42 L49 V54 F69 C84 K85 A87L18-V45 HydrophobicContact CD2-CB 4.45Å; L18-V45 HydrophobicContact CD2-CG2 4.09Å; V42-V45 HydrophobicContact CB-CG2 4.11Å; V42-V45 HydrophobicContact CG1-CG2 3.61Å; V45-L49 HydrophobicContact CG1-CB 3.92Å; V45-L49 HydrophobicContact CG1-CD2 3.8Å; V45-L49 HydrophobicContact CG1-CG 4.4Å; V45-V54 HydrophobicContact CG1-CG2 4.28Å; V45-F69 HydrophobicContact CG1-CE1 4.19Å; V45-C84 CarbonylContact O-C 3.57Å; V45-C84 WeakPolarHBondContact O-CA 3.2Å; V45-K85 HydrophobicContact CB-CB 4.18Å; V45-K85 WeakPolarHBondContact CB-O 3.28Å; V45-K85 HydrophobicContact CG1-CB 4.48Å; V45-K85 PolarHBondContact N-O 2.69Å; V45-K85 VanDerWaalsContact N-O 3.07Å; V45-K85 PolarHBondContact O-N 3.07Å; V45-A87 HydrophobicContact CG2-CB 4Å
46P82.6Confident83.9Confident11 Ų1146.5 Ų46.57%0.07124%0.235CC..EExtended strand (participates in β ladder)trans-62.1148.7-178.5-25.636.2000113.1F6 N44 Y48 L49F6-P46 HydrophobicContact CZ-CG 3.99Å; N44-P46 WeakPolarHBondContact O-CD 3.39Å; P46-Y48 HydrophobicContact CB-CD1 3.92Å; P46-Y48 HydrophobicContact CB-CD2 4.19Å; P46-Y48 HydrophobicContact CB-CE1 3.35Å; P46-Y48 HydrophobicContact CB-CE2 3.67Å; P46-Y48 HydrophobicContact CB-CG 4.29Å; P46-Y48 VanDerWaalsContact CB-OH 3.3Å; P46-Y48 WeakPolarHBondContact CB-OH 3.43Å; P46-Y48 HydrophobicContact CG-CE1 4.31Å; P46-Y48 HydrophobicContact CG-CE2 4.18Å; P46-Y48 WeakPolarHBondContact CG-OH 3.28Å; P46-Y48 PolarHBondContact O-N 3.46Å; P46-Y48 VanDerWaalsContact O-N 3.15Å; P46-L49 WeakPolarHBondContact O-CB 3.37Å; P46-L49 PolarHBondContact O-N 2.99Å
47L77.1Confident84.6Confident100 Ų10045.3 Ų45.352%0.52423%0.227SC..THydrogen-bonded Turntrans-60.1-29.3-175.7-65.8174.9000114.1L49 G83 K85L47-L49 VanDerWaalsContact C-N 3.34Å; L47-G83 WeakPolarHBondContact CG-O 3.17Å; L47-K85 HydrophobicContact CD2-CG 3.95Å; L47-K85 WeakPolarHBondContact O-CE 3.44Å; L47-K85 PolarHBondContact O-NZ 3.1Å
48Y79.7Confident85.1Confident68 Ų6839 Ų3927%0.26719%0.193SC..THydrogen-bonded Turntrans-75.1-22.1179.548.9-96.8000113.3I8 H16 P46 Q50 L112 S116I8-Y48 HydrophobicContact CD1-CE2 3.57Å; I8-Y48 VanDerWaalsContact CD1-OH 3.28Å; I8-Y48 WeakPolarHBondContact CD1-OH 3.47Å; I8-Y48 HydrophobicContact CG1-CE2 4.25Å; H16-Y48 PolarHBondContact CE1-OH 3.28Å; H16-Y48 VanDerWaalsContact CE1-OH 3.29Å; H16-Y48 PolarHBondContact NE2-OH 3.07Å; P46-Y48 HydrophobicContact CB-CD1 3.92Å; P46-Y48 HydrophobicContact CB-CD2 4.19Å; P46-Y48 HydrophobicContact CB-CE1 3.35Å; P46-Y48 HydrophobicContact CB-CE2 3.67Å; P46-Y48 HydrophobicContact CB-CG 4.29Å; P46-Y48 VanDerWaalsContact CB-OH 3.3Å; P46-Y48 WeakPolarHBondContact CB-OH 3.43Å; P46-Y48 HydrophobicContact CG-CE1 4.31Å; P46-Y48 HydrophobicContact CG-CE2 4.18Å; P46-Y48 WeakPolarHBondContact CG-OH 3.28Å; P46-Y48 PolarHBondContact O-N 3.46Å; P46-Y48 VanDerWaalsContact O-N 3.15Å; Y48-Q50 PolarHBondContact O-NE2 2.9Å; Y48-L112 HydrophobicContact CD2-CD1 4.1Å; Y48-L112 HydrophobicContact CD2-CD2 4.27Å; Y48-L112 HydrophobicContact CE2-CD1 4.44Å; Y48-L112 HydrophobicContact CE2-CD2 4.45Å; Y48-S116 WeakPolarHBondContact CB-OG 2.96Å; Y48-S116 VanDerWaalsContact CG-OG 3.3Å
49L83.2Confident85.1Confident0 Ų038 Ų380%020%0.197CC..  trans-71.5131.6-177.6-151.968.6000110.8V45 P46 L47 D53 V54 L57 K85 L112V45-L49 HydrophobicContact CG1-CB 3.92Å; V45-L49 HydrophobicContact CG1-CD2 3.8Å; V45-L49 HydrophobicContact CG1-CG 4.4Å; P46-L49 WeakPolarHBondContact O-CB 3.37Å; P46-L49 PolarHBondContact O-N 2.99Å; L47-L49 VanDerWaalsContact C-N 3.34Å; L49-D53 HydrophobicContact CD1-CB 3.26Å; L49-D53 HydrophobicContact CG-CB 3.7Å; L49-V54 HydrophobicContact CD2-CG2 3.51Å; L49-V54 HydrophobicContact CG-CG2 3.9Å; L49-L57 HydrophobicContact CD2-CD1 3.83Å; L49-K85 PolarHBondContact O-NZ 3.44Å; L49-K85 VanDerWaalsContact O-NZ 3.14Å; L49-L112 HydrophobicContact CD1-CD2 3.64Å
50Q84.2Confident85Confident50 Ų5043 Ų4323%0.23422%0.215CC..  trans-100.8176.9177.1-57.5-54.8-63.200111.8Y48 D52 D53 V54 R114Y48-Q50 PolarHBondContact O-NE2 2.9Å; Q50-D52 VanDerWaalsContact C-N 3.28Å; Q50-D52 PolarHBondContact O-N 2.91Å; Q50-D53 PolarHBondContact N-OD2 2.98Å; Q50-D53 PolarHBondContact O-N 3.33Å; Q50-V54 WeakPolarHBondContact O-CG2 3.36Å; Q50-V54 PolarHBondContact O-N 2.66Å; Q50-R114 HydrophobicContact CG-CG 4.48Å
51E87.6Confident84.8Confident86 Ų8643.3 Ų43.340%0.40222%0.217SC..Hα-helixtrans-60.5-40.9180-62.7-179.3-175.500110.8V54 K55 F69E51-V54 PolarHBondContact O-N 3.43Å; E51-K55 VanDerWaalsContact O-CG 3.3Å; E51-K55 WeakPolarHBondContact O-CG 3.49Å; E51-K55 PolarHBondContact O-N 3.47Å; E51-F69 HydrophobicContact CB-CE2 4.17Å; E51-F69 HydrophobicContact CG-CD2 3.57Å; E51-F69 HydrophobicContact CG-CE2 3.29Å; E51-F69 HydrophobicContact CG-CZ 4.39Å
52D87.2Confident84.6Confident91 Ų9142.8 Ų42.849%0.48722%0.216SC..Hα-helixtrans-68-40.8-178.5-57.9-36000112.2Q50 V54 K55 S56Q50-D52 VanDerWaalsContact C-N 3.28Å; Q50-D52 PolarHBondContact O-N 2.91Å; D52-V54 VanDerWaalsContact C-N 3.32Å; D52-V54 PolarHBondContact O-N 3.02Å; D52-K55 WeakPolarHBondContact O-CB 3.28Å; D52-K55 PolarHBondContact O-N 2.96Å; D52-K55 IonicContact OD1-NZ 2.8Å; D52-S56 PolarHBondContact O-N 3.21Å; D52-S56 PolarHBondContact O-OG 3.4Å; D52-S56 VanDerWaalsContact O-OG 3.12Å
53D87.1Confident84.6Confident3 Ų346 Ų462%0.01624%0.238CC..Hα-helixtrans-65.8-39.2178.2-47.8-41.7000111.2L49 Q50 S56 L57 S113L49-D53 HydrophobicContact CD1-CB 3.26Å; L49-D53 HydrophobicContact CG-CB 3.7Å; Q50-D53 PolarHBondContact N-OD2 2.98Å; Q50-D53 PolarHBondContact O-N 3.33Å; D53-S56 PolarHBondContact O-N 2.91Å; D53-L57 PolarHBondContact O-N 3.27Å; D53-S113 WeakPolarHBondContact OD1-CB 3.44Å; D53-S113 PolarHBondContact OD1-N 2.83Å; D53-S113 PolarHBondContact OD1-OG 3.36Å; D53-S113 PolarHBondContact OD2-OG 3.43Å
54V86.9Confident84.6Confident1 Ų144.9 Ų44.91%0.00623%0.231CC..Hα-helixtrans-65.3-43.7174.11760000109.9V45 L49 Q50 E51 D52 S56 L57 F58 V67 F69 V89V45-V54 HydrophobicContact CG1-CG2 4.28Å; L49-V54 HydrophobicContact CD2-CG2 3.51Å; L49-V54 HydrophobicContact CG-CG2 3.9Å; Q50-V54 WeakPolarHBondContact O-CG2 3.36Å; Q50-V54 PolarHBondContact O-N 2.66Å; E51-V54 PolarHBondContact O-N 3.43Å; D52-V54 VanDerWaalsContact C-N 3.32Å; D52-V54 PolarHBondContact O-N 3.02Å; V54-S56 VanDerWaalsContact C-N 3.33Å; V54-S56 PolarHBondContact O-N 3.49Å; V54-L57 WeakPolarHBondContact O-CB 3.39Å; V54-L57 PolarHBondContact O-N 3.34Å; V54-F58 HydrophobicContact CG1-CD2 3.66Å; V54-F58 HydrophobicContact CG1-CE2 3.79Å; V54-F58 VanDerWaalsContact O-CD2 3.23Å; V54-F58 WeakPolarHBondContact O-CD2 3.49Å; V54-F58 PolarHBondContact O-N 2.95Å; V54-V67 HydrophobicContact CB-CG1 4.05Å; V54-V67 HydrophobicContact CG1-CG1 3.74Å; V54-V67 HydrophobicContact CG1-CG2 4.05Å; V54-F69 HydrophobicContact CG2-CE1 4.46Å; V54-F69 HydrophobicContact CG2-CZ 4.05Å; V54-V89 HydrophobicContact CG1-CG2 3.77Å
55K88.2Confident84.5Confident64 Ų6444.8 Ų44.828%0.27824%0.235SC..Hα-helixtrans-56-49.8173.7-73.6171.6-175.7172.20110.6E51 D52 L57 F58 L59 V64 V67E51-K55 VanDerWaalsContact O-CG 3.3Å; E51-K55 WeakPolarHBondContact O-CG 3.49Å; E51-K55 PolarHBondContact O-N 3.47Å; D52-K55 WeakPolarHBondContact O-CB 3.28Å; D52-K55 PolarHBondContact O-N 2.96Å; D52-K55 IonicContact OD1-NZ 2.8Å; K55-L57 VanDerWaalsContact C-N 3.28Å; K55-L57 PolarHBondContact O-N 2.89Å; K55-F58 PolarHBondContact O-N 3.36Å; K55-L59 WeakPolarHBondContact O-CG 3.49Å; K55-L59 PolarHBondContact O-N 3.33Å; K55-V64 HydrophobicContact CG-CG1 4.18Å; K55-V67 HydrophobicContact CG-CB 4.36Å; K55-V67 HydrophobicContact CG-CG2 3.53Å
56S86.4Confident84.6Confident61 Ų6148.4 Ų48.443%0.42726%0.258SS..Hα-helixtrans-59.1-36.6179.3-61.60000113.6D52 D53 V54D52-S56 PolarHBondContact O-N 3.21Å; D52-S56 PolarHBondContact O-OG 3.4Å; D52-S56 VanDerWaalsContact O-OG 3.12Å; D53-S56 PolarHBondContact O-N 2.91Å; V54-S56 VanDerWaalsContact C-N 3.33Å; V54-S56 PolarHBondContact O-N 3.49Å
57L85.4Confident84.7Confident14 Ų1448.2 Ų48.27%0.07326%0.256CS..Hα-helixtrans-61.1-46.5172-91.2155.2000112.1V4 F6 L18 L49 D53 V54 K55 V110V4-L57 HydrophobicContact CG1-CD2 4.49Å; F6-L57 HydrophobicContact CB-CD2 3.61Å; F6-L57 HydrophobicContact CD1-CD2 4.37Å; F6-L57 HydrophobicContact CG-CD1 4.42Å; F6-L57 HydrophobicContact CG-CD2 3.95Å; L18-L57 HydrophobicContact CD1-CD1 4.19Å; L49-L57 HydrophobicContact CD2-CD1 3.83Å; D53-L57 PolarHBondContact O-N 3.27Å; V54-L57 WeakPolarHBondContact O-CB 3.39Å; V54-L57 PolarHBondContact O-N 3.34Å; K55-L57 VanDerWaalsContact C-N 3.28Å; K55-L57 PolarHBondContact O-N 2.89Å; L57-V110 HydrophobicContact CD1-CG2 4.2Å; L57-V110 HydrophobicContact CD2-CG2 3.42Å; L57-V110 VanDerWaalsContact CD2-CG2 3.42Å; L57-V110 HydrophobicContact CG-CG1 4.3Å; L57-V110 HydrophobicContact CG-CG2 3.55Å
58F85.5Confident84.9Confident0 Ų046 Ų460%025%0.249CC..Hα-helixtrans-86.7-12.4-172.9-74.4-76.3000115V4 V20 V42 V54 K55 R60 F61 G62 V64 V89 F91 V100V4-F58 HydrophobicContact CG2-CE1 4.44Å; V20-F58 HydrophobicContact CG2-CE1 4.43Å; V20-F58 HydrophobicContact CG2-CZ 4.37Å; V42-F58 HydrophobicContact CB-CZ 4.41Å; V42-F58 HydrophobicContact CG1-CE2 4.31Å; V42-F58 HydrophobicContact CG1-CZ 4.09Å; V42-F58 HydrophobicContact CG2-CE1 4.29Å; V42-F58 HydrophobicContact CG2-CE2 3.7Å; V42-F58 HydrophobicContact CG2-CZ 3.4Å; V54-F58 HydrophobicContact CG1-CD2 3.66Å; V54-F58 HydrophobicContact CG1-CE2 3.79Å; V54-F58 VanDerWaalsContact O-CD2 3.23Å; V54-F58 WeakPolarHBondContact O-CD2 3.49Å; V54-F58 PolarHBondContact O-N 2.95Å; K55-F58 PolarHBondContact O-N 3.36Å; F58-R60 PolarHBondContact O-N 2.92Å; F58-F61 AromaticContact CD1-CD2 3.71Å; F58-F61 HydrophobicContact CD1-CD2 3.71Å; F58-F61 AromaticContact CD1-CE2 3.97Å; F58-F61 HydrophobicContact CD1-CE2 3.97Å; F58-F61 HydrophobicContact CE1-CD2 4.41Å; F58-F61 HydrophobicContact CE1-CE2 4.29Å; F58-F61 PolarHBondContact O-N 3.37Å; F58-G62 PolarHBondContact O-N 3.47Å; F58-V64 HydrophobicContact CB-CG2 3.65Å; F58-V89 HydrophobicContact CB-CG1 4.12Å; F58-V89 HydrophobicContact CD2-CG1 4.15Å; F58-V89 HydrophobicContact CD2-CG2 3.84Å; F58-V89 HydrophobicContact CE2-CG2 3.89Å; F58-V89 HydrophobicContact CG-CG1 4.02Å; F58-V89 HydrophobicContact CG-CG2 4.47Å; F58-F91 HydrophobicContact CB-CE1 4.14Å; F58-F91 HydrophobicContact CB-CZ 4.08Å; F58-F91 AromaticContact CD1-CZ 3.86Å; F58-F91 HydrophobicContact CD1-CZ 3.86Å; F58-F91 HydrophobicContact CG-CZ 4.25Å; F58-V100 HydrophobicContact CD1-CG2 4.38Å; F58-V100 HydrophobicContact CE1-CG1 4.06Å
59L85.1Confident85Confident106 Ų10644.2 Ų44.256%0.55524%0.243SC*.THydrogen-bonded Turntrans-53.3-27.5175.4-81.1176.2000113.6K55 F61 G62K55-L59 WeakPolarHBondContact O-CG 3.49Å; K55-L59 PolarHBondContact O-N 3.33Å; L59-F61 VanDerWaalsContact C-N 3.35Å; L59-G62 WeakPolarHBondContact CA-O 3.33Å; L59-G62 PolarHBondContact O-N 2.84Å
60R81.7Confident84.4Confident110 Ų11046 Ų4642%0.41525%0.254SS..THydrogen-bonded Turntrans-64.3-38.3177.4-177.1-178.6-175178.15.9112.7F58 G62 D105F58-R60 PolarHBondContact O-N 2.92Å; R60-G62 VanDerWaalsContact C-N 3.31Å; R60-D105 IonicContact CZ-OD1 2.76Å; R60-D105 IonicContact NH1-OD1 3.08Å; R60-D105 PolarHBondContact NH1-OD1 2.83Å
61F82.2Confident83.2Confident9 Ų953.2 Ų53.24%0.03929%0.285CS..THydrogen-bonded Turntrans-83-16.6-178.1-53-75.7000112V4 F58 L59 F91 C96 V100 Q103 D105V4-F61 HydrophobicContact CG2-CE2 4.19Å; V4-F61 HydrophobicContact CG2-CZ 3.98Å; F58-F61 AromaticContact CD1-CD2 3.71Å; F58-F61 HydrophobicContact CD1-CD2 3.71Å; F58-F61 AromaticContact CD1-CE2 3.97Å; F58-F61 HydrophobicContact CD1-CE2 3.97Å; F58-F61 HydrophobicContact CE1-CD2 4.41Å; F58-F61 HydrophobicContact CE1-CE2 4.29Å; F58-F61 PolarHBondContact O-N 3.37Å; L59-F61 VanDerWaalsContact C-N 3.35Å; F61-F91 HydrophobicContact CB-CE1 4.3Å; F61-C96 WeakPolarHBondContact O-CA 3.28Å; F61-C96 WeakPolarHBondContact O-CB 3.49Å; F61-V100 HydrophobicContact CB-CG2 3.58Å; F61-V100 HydrophobicContact CD1-CB 4.36Å; F61-V100 HydrophobicContact CD1-CG2 4.21Å; F61-V100 HydrophobicContact CD2-CG1 4.49Å; F61-V100 HydrophobicContact CD2-CG2 4.01Å; F61-V100 HydrophobicContact CE2-CG1 4.47Å; F61-V100 HydrophobicContact CG-CB 4.3Å; F61-V100 HydrophobicContact CG-CG2 3.68Å; F61-Q103 HydrophobicContact CD1-CB 4.17Å; F61-Q103 HydrophobicContact CE1-CB 3.83Å; F61-D105 WeakPolarHBondContact CZ-OD2 3.47Å
62G83.8Confident81.5Confident11 Ų1153.8 Ų53.811%0.11330%0.298CS..SBendtrans153.7177173.200000113.1F58 L59 R60 V64F58-G62 PolarHBondContact O-N 3.47Å; L59-G62 WeakPolarHBondContact CA-O 3.33Å; L59-G62 PolarHBondContact O-N 2.84Å; R60-G62 VanDerWaalsContact C-N 3.31Å; G62-V64 PolarHBondContact O-N 2.98Å
63P85.5Confident79.5Confident69 Ų6954 Ų5445%0.44830%0.299SS..  trans-65126.8176.728.6-35.4000110.8D92P63-D92 WeakPolarHBondContact CB-OD2 3.47Å; P63-D92 HydrophobicContact CG-CB 4.17Å; P63-D92 PolarHBondContact O-N 2.74Å
64V86.8Confident77.3Confident21 Ų2157.5 Ų57.513%0.12732%0.317CS..EExtended strand (participates in β ladder)trans-99.8121.2-177.3-178.80000108.9K55 F58 G62 V67 V89 T90 F91K55-V64 HydrophobicContact CG-CG1 4.18Å; F58-V64 HydrophobicContact CB-CG2 3.65Å; G62-V64 PolarHBondContact O-N 2.98Å; V64-V67 HydrophobicContact CG1-CG2 3.78Å; V64-V89 HydrophobicContact CG1-CG1 3.73Å; V64-V89 HydrophobicContact CG2-CG1 4.3Å; V64-T90 WeakPolarHBondContact CG1-O 3.37Å; V64-F91 HydrophobicContact CG2-CD1 4.05Å; V64-F91 HydrophobicContact CG2-CE1 3.81Å
65S83.7Confident75.2Confident65 Ų6566.4 Ų66.446%0.45536%0.356SS..EExtended strand (participates in β ladder)trans-74.9-62-179-149.10000111T90 D92S65-T90 PolarHBondContact N-O 2.85Å; S65-D92 WeakPolarHBondContact CA-OD1 3.36Å; S65-D92 WeakPolarHBondContact CB-OD1 3.43Å; S65-D92 PolarHBondContact OG-OD1 3.04Å
66T86.2Confident72.6Confident77 Ų7769.9 Ų69.947%0.47238%0.378SS..EExtended strand (participates in β ladder)trans-144142-178.470.30000111.5T90T66-T90 WeakPolarHBondContact CA-OG1 3.41Å; T66-T90 PolarHBondContact N-O 3.42Å; T66-T90 PolarHBondContact N-OG1 3.39Å; T66-T90 PolarHBondContact O-N 2.76Å; T66-T90 PolarHBondContact O-OG1 2.97Å; T66-T90 PolarHBondContact OG1-OG1 3.39Å
67V85.1Confident70.2Confident7 Ų773.9 Ų73.94%0.04239%0.394CS..EExtended strand (participates in β ladder)trans-113.6121.1170.7176.90000107.2V54 K55 V64 A87 Y88 V89V54-V67 HydrophobicContact CB-CG1 4.05Å; V54-V67 HydrophobicContact CG1-CG1 3.74Å; V54-V67 HydrophobicContact CG1-CG2 4.05Å; K55-V67 HydrophobicContact CG-CB 4.36Å; K55-V67 HydrophobicContact CG-CG2 3.53Å; V64-V67 HydrophobicContact CG1-CG2 3.78Å; V67-A87 HydrophobicContact CG1-CB 4.45Å; V67-Y88 CarbonylContact C-O 3.39Å; V67-Y88 VanDerWaalsContact CA-O 3.31Å; V67-Y88 WeakPolarHBondContact CA-O 3.27Å; V67-V89 HydrophobicContact CG1-CG2 4.45Å; V67-V89 HydrophobicContact CG2-CG1 4.31Å; V67-V89 HydrophobicContact CG2-CG2 4.22Å
68S82.5Confident67.9Low52 Ų5281.1 Ų81.136%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-117.2125.1179-167.10000110.9Y88S68-Y88 PolarHBondContact N-O 3.18Å; S68-Y88 PolarHBondContact O-N 3.2Å
69F80.7Confident65.5Low32 Ų3287.1 Ų87.114%0.1446%0.464CS..  trans-88.6119.1163.9-60-68.6000108.7V45 E51 V54 K71 K85 L86 A87V45-F69 HydrophobicContact CG1-CE1 4.19Å; E51-F69 HydrophobicContact CB-CE2 4.17Å; E51-F69 HydrophobicContact CG-CD2 3.57Å; E51-F69 HydrophobicContact CG-CE2 3.29Å; E51-F69 HydrophobicContact CG-CZ 4.39Å; V54-F69 HydrophobicContact CG2-CE1 4.46Å; V54-F69 HydrophobicContact CG2-CZ 4.05Å; F69-K71 PolarHBondContact O-N 2.8Å; F69-K85 HydrophobicContact CD1-CB 4.39Å; F69-K85 HydrophobicContact CD1-CD 4.18Å; F69-K85 HydrophobicContact CE1-CD 4.23Å; F69-L86 WeakPolarHBondContact CD1-O 3.46Å; F69-A87 HydrophobicContact CD1-CB 3.78Å; F69-A87 HydrophobicContact CE1-CB 3.59Å
70P71.5Confident63.4Low38 Ų3887 Ų8725%0.24747%0.468CS..  trans-61.8109.5173.327.2-32.7000108.8L30 S72 L86 Y88L30-P70 HydrophobicContact CD2-CB 4.43Å; P70-S72 PolarHBondContact O-N 3.13Å; P70-L86 VanDerWaalsContact CD-O 3.27Å; P70-L86 WeakPolarHBondContact CD-O 3.45Å; P70-L86 HydrophobicContact CG-CB 4.32Å; P70-L86 HydrophobicContact CG-CD2 4.24Å; P70-Y88 HydrophobicContact CB-CE2 4.01Å; P70-Y88 HydrophobicContact CG-CD2 4.27Å; P70-Y88 HydrophobicContact CG-CE2 3.69Å
71K58.7Low61.9Low200 Ų20092.1 Ų92.187%0.8749%0.493SS*.SBendtrans-70.5102.2171.5-62.5-179.6-175.2178.50106.6F69F69-K71 PolarHBondContact O-N 2.8Å
72S50.7Low60.1Low98 Ų9896.5 Ų96.569%0.68552%0.524SS*.  trans68.397.4171.9163.30000115.4P70P70-S72 PolarHBondContact O-N 3.13Å
73L45.3Very low59Low95 Ų9597.8 Ų97.850%0.49754%0.537SS..  trans-125.817.9163-124.2-156.9000115.7L30L30-L73 HydrophobicContact CD1-CD1 3.62Å; L30-L73 HydrophobicContact CD2-CB 4.41Å; L30-L73 HydrophobicContact CD2-CD1 3.21Å; L30-L73 HydrophobicContact CD2-CD2 4.29Å; L30-L73 HydrophobicContact CD2-CG 3.39Å; L30-L73 HydrophobicContact CG-CD1 3.38Å; L30-L73 HydrophobicContact CG-CG 4.15Å
74L42.2Very low58Low77 Ų7797.9 Ų97.940%0.40354%0.538SS..  trans-14185.1167.6-69.6172000112.2N76 N77 F78L74-N76 PolarHBondContact O-N 3.14Å; L74-N77 HydrophobicContact CD2-CB 4.22Å; L74-F78 HydrophobicContact CD1-CB 3.28Å; L74-F78 HydrophobicContact CD1-CD1 4.22Å; L74-F78 HydrophobicContact CD1-CD2 2.88Å; L74-F78 HydrophobicContact CD1-CE2 3.52Å; L74-F78 HydrophobicContact CD1-CG 3.19Å; L74-F78 HydrophobicContact CD1-CZ 4.42Å; L74-F78 HydrophobicContact CG-CD2 4.09Å; L74-F78 HydrophobicContact CG-CE2 4.38Å
75K42.7Very low57.5Low189 Ų18999.8 Ų99.882%0.82255%0.545SS*.SBend-64.495129.5-67.4174.8-179.4175.20105.8
76N32.7Very low57.6Low137 Ų13799.5 Ų99.573%0.73354%0.538SS*.SBendtrans76.398.9168.8-42.7-22.9000116.1L74L74-N76 PolarHBondContact O-N 3.14Å
77N37.3Very low57.5Low144 Ų14495.9 Ų95.977%0.7752%0.515SS*.  trans155.38.4142.6-8710.2000118.3L74 P79L74-N77 HydrophobicContact CD2-CB 4.22Å; N77-P79 WeakPolarHBondContact O-CD 3.28Å
78F36.2Very low57.5Low166 Ų16697 Ų9773%0.72852%0.519SS*.  trans-101.9111.5162.9-76.9-41.9000108.4L74 V80L74-F78 HydrophobicContact CD1-CB 3.28Å; L74-F78 HydrophobicContact CD1-CD1 4.22Å; L74-F78 HydrophobicContact CD1-CD2 2.88Å; L74-F78 HydrophobicContact CD1-CE2 3.52Å; L74-F78 HydrophobicContact CD1-CG 3.19Å; L74-F78 HydrophobicContact CD1-CZ 4.42Å; L74-F78 HydrophobicContact CG-CD2 4.09Å; L74-F78 HydrophobicContact CG-CE2 4.38Å; F78-V80 HydrophobicContact CB-CG2 4.4Å; F78-V80 PolarHBondContact O-N 3Å
79P34.9Very low57.8Low126 Ų12694.5 Ų94.582%0.81850%0.502SS*.  trans-8170.5173.235.5-31.9000107.8N77N77-P79 WeakPolarHBondContact O-CD 3.28Å
80V42Very low58.1Low104 Ų10493.5 Ų93.563%0.6350%0.498SS*.  trans-132.193.9163.1-125.60000108.8F78 C82F78-V80 HydrophobicContact CB-CG2 4.4Å; F78-V80 PolarHBondContact O-N 3Å; V80-C82 WeakPolarHBondContact CB-O 3.27Å; V80-C82 WeakPolarHBondContact CG1-O 3.41Å; V80-C82 PolarHBondContact O-N 3.4Å
81K48.7Very low58.9Low218 Ų21891.8 Ų91.895%0.94849%0.487SS*.SBendtrans-59.7-3.5164.1-80.7176.7172.3176.40112.2
82C45.2Very low60.3Low101 Ų10185.9 Ų85.968%0.68247%0.465SS*.SBendtrans-145.4128.8-179.2-53.50000111V80V80-C82 WeakPolarHBondContact CB-O 3.27Å; V80-C82 WeakPolarHBondContact CG1-O 3.41Å; V80-C82 PolarHBondContact O-N 3.4Å
83G60.9Low62.1Low38 Ų3883.3 Ų83.339%0.39245%0.447SS..  trans138.1-50.5130.400000120.7L47L47-G83 WeakPolarHBondContact CG-O 3.17Å
84C64.8Low64Low71 Ų7180.5 Ų80.548%0.4844%0.437SS..EExtended strand (participates in β ladder)trans-145.7144.8-161.2-560000115.1N44 V45N44-C84 PolarHBondContact OD1-SG 3.42Å; V45-C84 CarbonylContact O-C 3.57Å; V45-C84 WeakPolarHBondContact O-CA 3.2Å
85K76.6Confident66.1Low61 Ų6182.6 Ų82.627%0.26545%0.445SS..EExtended strand (participates in β ladder)trans-90.8158.5172-59.6179.3-171.5159.10111V45 L47 L49 F69V45-K85 HydrophobicContact CB-CB 4.18Å; V45-K85 WeakPolarHBondContact CB-O 3.28Å; V45-K85 HydrophobicContact CG1-CB 4.48Å; V45-K85 PolarHBondContact N-O 2.69Å; V45-K85 VanDerWaalsContact N-O 3.07Å; V45-K85 PolarHBondContact O-N 3.07Å; L47-K85 HydrophobicContact CD2-CG 3.95Å; L47-K85 WeakPolarHBondContact O-CE 3.44Å; L47-K85 PolarHBondContact O-NZ 3.1Å; L49-K85 PolarHBondContact O-NZ 3.44Å; L49-K85 VanDerWaalsContact O-NZ 3.14Å; F69-K85 HydrophobicContact CD1-CB 4.39Å; F69-K85 HydrophobicContact CD1-CD 4.18Å; F69-K85 HydrophobicContact CE1-CD 4.23Å
86L83.9Confident68.1Low59 Ų5974.4 Ų74.431%0.30941%0.412SS..EExtended strand (participates in β ladder)trans-100138.7163.7-173.471.4000107.8I41 V43 F69 P70 Y88I41-L86 HydrophobicContact CG2-CD1 3.53Å; I41-L86 HydrophobicContact CG2-CG 4.29Å; V43-L86 HydrophobicContact CB-CD1 4.44Å; V43-L86 HydrophobicContact CG2-CD1 3.71Å; F69-L86 WeakPolarHBondContact CD1-O 3.46Å; P70-L86 VanDerWaalsContact CD-O 3.27Å; P70-L86 WeakPolarHBondContact CD-O 3.45Å; P70-L86 HydrophobicContact CG-CB 4.32Å; P70-L86 HydrophobicContact CG-CD2 4.24Å; L86-Y88 HydrophobicContact CD2-CE2 4.3Å
87A84.9Confident70.5Confident0 Ų068.2 Ų68.20%038%0.379CS..EExtended strand (participates in β ladder)trans-127.7142.8173.600000111.1V42 V45 V67 F69V42-A87 HydrophobicContact CB-CB 4.31Å; V42-A87 PolarHBondContact N-O 3.5Å; V42-A87 PolarHBondContact O-N 2.82Å; V45-A87 HydrophobicContact CG2-CB 4Å; V67-A87 HydrophobicContact CG1-CB 4.45Å; F69-A87 HydrophobicContact CD1-CB 3.78Å; F69-A87 HydrophobicContact CE1-CB 3.59Å
88Y86Confident72.7Confident30 Ų3067.4 Ų67.412%0.11837%0.365CS..EExtended strand (participates in β ladder)trans-101.5123.3166.7-62.9-77.8000108.3L30 T39 I41 V67 S68 P70 L86L30-Y88 HydrophobicContact CD1-CE2 3.68Å; L30-Y88 WeakPolarHBondContact CD1-OH 3.46Å; T39-Y88 HydrophobicContact CG2-CD1 4.3Å; I41-Y88 HydrophobicContact CD1-CE1 4.27Å; I41-Y88 HydrophobicContact CG1-CD1 3.99Å; I41-Y88 HydrophobicContact CG1-CE1 3.75Å; V67-Y88 CarbonylContact C-O 3.39Å; V67-Y88 VanDerWaalsContact CA-O 3.31Å; V67-Y88 WeakPolarHBondContact CA-O 3.27Å; S68-Y88 PolarHBondContact N-O 3.18Å; S68-Y88 PolarHBondContact O-N 3.2Å; P70-Y88 HydrophobicContact CB-CE2 4.01Å; P70-Y88 HydrophobicContact CG-CD2 4.27Å; P70-Y88 HydrophobicContact CG-CE2 3.69Å; L86-Y88 HydrophobicContact CD2-CE2 4.3Å
89V87.2Confident74.9Confident0 Ų062 Ų620%034%0.342CS..EExtended strand (participates in β ladder)trans-111.1115.1177.9-178.40000107.7T39 V40 V42 V54 F58 V64 V67 F91T39-V89 WeakPolarHBondContact CA-O 3.37Å; V40-V89 PolarHBondContact N-O 3.19Å; V40-V89 PolarHBondContact O-N 3Å; V42-V89 HydrophobicContact CG2-CB 4.47Å; V42-V89 HydrophobicContact CG2-CG2 3.65Å; V54-V89 HydrophobicContact CG1-CG2 3.77Å; F58-V89 HydrophobicContact CB-CG1 4.12Å; F58-V89 HydrophobicContact CD2-CG1 4.15Å; F58-V89 HydrophobicContact CD2-CG2 3.84Å; F58-V89 HydrophobicContact CE2-CG2 3.89Å; F58-V89 HydrophobicContact CG-CG1 4.02Å; F58-V89 HydrophobicContact CG-CG2 4.47Å; V64-V89 HydrophobicContact CG1-CG1 3.73Å; V64-V89 HydrophobicContact CG2-CG1 4.3Å; V67-V89 HydrophobicContact CG1-CG2 4.45Å; V67-V89 HydrophobicContact CG2-CG1 4.31Å; V67-V89 HydrophobicContact CG2-CG2 4.22Å; V89-F91 HydrophobicContact CB-CE2 4.49Å; V89-F91 HydrophobicContact CG1-CD2 4.46Å; V89-F91 HydrophobicContact CG1-CE1 4.44Å; V89-F91 HydrophobicContact CG1-CE2 3.88Å; V89-F91 HydrophobicContact CG1-CZ 3.88Å
90T87.9Confident77.2Confident11 Ų1156 Ų567%0.06730%0.303CS..EExtended strand (participates in β ladder)trans-99.5124.117764.40000109.2V34 T39 V64 S65 T66V34-T90 HydrophobicContact CG1-CG2 4.29Å; T39-T90 HydrophobicContact CG2-CG2 3.93Å; T39-T90 WeakPolarHBondContact OG1-CG2 3.42Å; V64-T90 WeakPolarHBondContact CG1-O 3.37Å; S65-T90 PolarHBondContact N-O 2.85Å; T66-T90 WeakPolarHBondContact CA-OG1 3.41Å; T66-T90 PolarHBondContact N-O 3.42Å; T66-T90 PolarHBondContact N-OG1 3.39Å; T66-T90 PolarHBondContact O-N 2.76Å; T66-T90 PolarHBondContact O-OG1 2.97Å; T66-T90 PolarHBondContact OG1-OG1 3.39Å
91F88.7Confident79.2Confident3 Ų354.5 Ų54.51%0.01329%0.288CS..EExtended strand (participates in β ladder)trans-93.6156176.1-66.8-86.1000110.8R38 V40 F58 F61 V64 V89 S93 C96 A97 V100R38-F91 WeakPolarHBondContact CB-O 3.36Å; R38-F91 PolarHBondContact O-N 3.26Å; V40-F91 HydrophobicContact CB-CE2 4.14Å; V40-F91 HydrophobicContact CG2-CD2 4.12Å; V40-F91 HydrophobicContact CG2-CE2 3.74Å; F58-F91 HydrophobicContact CB-CE1 4.14Å; F58-F91 HydrophobicContact CB-CZ 4.08Å; F58-F91 AromaticContact CD1-CZ 3.86Å; F58-F91 HydrophobicContact CD1-CZ 3.86Å; F58-F91 HydrophobicContact CG-CZ 4.25Å; F61-F91 HydrophobicContact CB-CE1 4.3Å; V64-F91 HydrophobicContact CG2-CD1 4.05Å; V64-F91 HydrophobicContact CG2-CE1 3.81Å; V89-F91 HydrophobicContact CB-CE2 4.49Å; V89-F91 HydrophobicContact CG1-CD2 4.46Å; V89-F91 HydrophobicContact CG1-CE1 4.44Å; V89-F91 HydrophobicContact CG1-CE2 3.88Å; V89-F91 HydrophobicContact CG1-CZ 3.88Å; F91-S93 VanDerWaalsContact C-N 3.32Å; F91-S93 WeakPolarHBondContact CB-O 3.42Å; F91-C96 HydrophobicContact CB-CB 3.92Å; F91-C96 HydrophobicContact CD1-CB 3.71Å; F91-C96 HydrophobicContact CE1-CB 4.47Å; F91-C96 HydrophobicContact CG-CB 3.93Å; F91-A97 HydrophobicContact CD2-CB 3.87Å; F91-A97 HydrophobicContact CE2-CB 4.47Å; F91-V100 HydrophobicContact CE1-CG2 4.32Å; F91-V100 HydrophobicContact CE2-CG2 3.83Å; F91-V100 HydrophobicContact CZ-CG2 3.48Å; F91-V100 VanDerWaalsContact CZ-CG2 3.48Å
92D88.2Confident80.8Confident76 Ų7651.8 Ų51.841%0.40627%0.272SS..SBendtrans-68.8-35.9174.1-67.2-28.2000111.3P63 S65P63-D92 WeakPolarHBondContact CB-OD2 3.47Å; P63-D92 HydrophobicContact CG-CB 4.17Å; P63-D92 PolarHBondContact O-N 2.74Å; S65-D92 WeakPolarHBondContact CA-OD1 3.36Å; S65-D92 WeakPolarHBondContact CB-OD1 3.43Å; S65-D92 PolarHBondContact OG-OD1 3.04Å
93S87.2Confident82.2Confident44 Ų4450.4 Ų50.431%0.30826%0.256SS..SBendtrans-114.6143178.4178.70000112.5F91 E95 C96F91-S93 VanDerWaalsContact C-N 3.32Å; F91-S93 WeakPolarHBondContact CB-O 3.42Å; S93-E95 PolarHBondContact O-N 3.28Å; S93-E95 PolarHBondContact OG-N 3.41Å; S93-C96 WeakPolarHBondContact O-CB 3.44Å; S93-C96 PolarHBondContact O-N 2.97Å
94A86.2Confident82.4Confident35 Ų3555 Ų5529%0.28927%0.272SS..Hα-helixtrans-67.8-20.6173.100000112.4N37 R38 R98N37-A94 WeakPolarHBondContact O-CB 3.47Å; R38-A94 HydrophobicContact CG-CB 4.34Å; A94-R98 PolarHBondContact O-N 3.03Å
95E85.6Confident82.5Confident121 Ų12152.3 Ų52.357%0.56525%0.252SS*.Hα-helixtrans-69.5-42.3174.7-50.4-157.3135.500110.8S93 A97 R98 E99S93-E95 PolarHBondContact O-N 3.28Å; S93-E95 PolarHBondContact OG-N 3.41Å; E95-A97 VanDerWaalsContact C-N 3.29Å; E95-A97 PolarHBondContact O-N 3.27Å; E95-R98 CarbonylContact O-C 3.51Å; E95-R98 WeakPolarHBondContact O-CA 3.25Å; E95-R98 WeakPolarHBondContact O-CB 3.46Å; E95-R98 PolarHBondContact O-N 3.3Å; E95-R98 IonicContact OE1-NH2 3.53Å; E95-E99 WeakPolarHBondContact O-CG 3.5Å; E95-E99 PolarHBondContact O-N 3.32Å
96C84.1Confident82Confident18 Ų1856 Ų5612%0.12228%0.275CS..Hα-helixtrans-59.2-41.3176.7-57.80000111.7F61 F91 S93 R98 E99 V100F61-C96 WeakPolarHBondContact O-CA 3.28Å; F61-C96 WeakPolarHBondContact O-CB 3.49Å; F91-C96 HydrophobicContact CB-CB 3.92Å; F91-C96 HydrophobicContact CD1-CB 3.71Å; F91-C96 HydrophobicContact CE1-CB 4.47Å; F91-C96 HydrophobicContact CG-CB 3.93Å; S93-C96 WeakPolarHBondContact O-CB 3.44Å; S93-C96 PolarHBondContact O-N 2.97Å; C96-R98 VanDerWaalsContact C-N 3.29Å; C96-R98 PolarHBondContact O-N 2.88Å; C96-E99 PolarHBondContact O-N 2.92Å; C96-V100 WeakPolarHBondContact O-CG2 3.37Å; C96-V100 PolarHBondContact O-N 3.42Å
97A83.1Confident81.2Confident6 Ų653.8 Ų53.85%0.0527%0.266CS..Hα-helixtrans-62-36174.700000112.5V40 F91 E95 F101V40-A97 HydrophobicContact CG2-CB 3.79Å; F91-A97 HydrophobicContact CD2-CB 3.87Å; F91-A97 HydrophobicContact CE2-CB 4.47Å; E95-A97 VanDerWaalsContact C-N 3.29Å; E95-A97 PolarHBondContact O-N 3.27Å; A97-F101 VanDerWaalsContact O-CD2 3.24Å; A97-F101 WeakPolarHBondContact O-CD2 3.46Å; A97-F101 WeakPolarHBondContact O-CE2 3.34Å
98R84.3Confident80.6Confident128 Ų12860.9 Ų60.948%0.48329%0.293SS..Hα-helixtrans-73-35.2175.5-71-174.8-70.1159.80.6112.3A94 E95 C96 V100 F101 R102A94-R98 PolarHBondContact O-N 3.03Å; E95-R98 CarbonylContact O-C 3.51Å; E95-R98 WeakPolarHBondContact O-CA 3.25Å; E95-R98 WeakPolarHBondContact O-CB 3.46Å; E95-R98 PolarHBondContact O-N 3.3Å; E95-R98 IonicContact OE1-NH2 3.53Å; C96-R98 VanDerWaalsContact C-N 3.29Å; C96-R98 PolarHBondContact O-N 2.88Å; R98-V100 VanDerWaalsContact C-N 3.26Å; R98-V100 PolarHBondContact O-N 2.71Å; R98-F101 PolarHBondContact O-N 3.18Å; R98-R102 PolarHBondContact O-N 3.47Å
99E82.8Confident79.9Confident51 Ų5161.8 Ų61.824%0.23831%0.307CS..Hα-helixtrans-61.6-33.1176.9-74.3-55.7130.700112.6E95 C96 F101 R102 Q103E95-E99 WeakPolarHBondContact O-CG 3.5Å; E95-E99 PolarHBondContact O-N 3.32Å; C96-E99 PolarHBondContact O-N 2.92Å; E99-F101 PolarHBondContact O-N 3.16Å; E99-F101 VanDerWaalsContact O-N 3.13Å; E99-R102 PolarHBondContact O-N 3.4Å; E99-R102 WeakPolarHBondContact OE1-CD 3.3Å; E99-R102 IonicContact OE1-CZ 2.69Å; E99-R102 IonicContact OE1-NE 2.9Å; E99-R102 IonicContact OE1-NH1 3.27Å; E99-R102 PolarHBondContact OE1-NH1 3.36Å; E99-Q103 PolarHBondContact O-N 2.98Å
100V83.7Confident79.3Confident0 Ų062.3 Ų62.30%031%0.31CS..Hα-helixtrans-56.9-29.8173.2-172.50000112.2A2 V4 V20 F58 F61 F91 C96 R98A2-V100 WeakPolarHBondContact CB-O 3.36Å; V4-V100 HydrophobicContact CG2-CG1 4.46Å; V20-V100 HydrophobicContact CB-CG1 4.41Å; V20-V100 HydrophobicContact CG1-CG1 3.75Å; V20-V100 HydrophobicContact CG2-CG1 4.32Å; F58-V100 HydrophobicContact CD1-CG2 4.38Å; F58-V100 HydrophobicContact CE1-CG1 4.06Å; F61-V100 HydrophobicContact CB-CG2 3.58Å; F61-V100 HydrophobicContact CD1-CB 4.36Å; F61-V100 HydrophobicContact CD1-CG2 4.21Å; F61-V100 HydrophobicContact CD2-CG1 4.49Å; F61-V100 HydrophobicContact CD2-CG2 4.01Å; F61-V100 HydrophobicContact CE2-CG1 4.47Å; F61-V100 HydrophobicContact CG-CB 4.3Å; F61-V100 HydrophobicContact CG-CG2 3.68Å; F91-V100 HydrophobicContact CE1-CG2 4.32Å; F91-V100 HydrophobicContact CE2-CG2 3.83Å; F91-V100 HydrophobicContact CZ-CG2 3.48Å; F91-V100 VanDerWaalsContact CZ-CG2 3.48Å; C96-V100 WeakPolarHBondContact O-CG2 3.37Å; C96-V100 PolarHBondContact O-N 3.42Å; R98-V100 VanDerWaalsContact C-N 3.26Å; R98-V100 PolarHBondContact O-N 2.71Å
101F83Confident78.5Confident73 Ų7366.9 Ų66.932%0.3234%0.342SS..Hα-helixtrans-87.4-17.7177.9-60.8-74.3000113.9A2 V20 V40 A97 R98 E99A2-F101 HydrophobicContact CB-CD1 3.73Å; A2-F101 HydrophobicContact CB-CE1 4.34Å; V20-F101 HydrophobicContact CG1-CE1 4.14Å; V20-F101 HydrophobicContact CG1-CZ 4.24Å; V40-F101 HydrophobicContact CG1-CZ 4.32Å; V40-F101 HydrophobicContact CG2-CE2 4.45Å; A97-F101 VanDerWaalsContact O-CD2 3.24Å; A97-F101 WeakPolarHBondContact O-CD2 3.46Å; A97-F101 WeakPolarHBondContact O-CE2 3.34Å; R98-F101 PolarHBondContact O-N 3.18Å; E99-F101 PolarHBondContact O-N 3.16Å; E99-F101 VanDerWaalsContact O-N 3.13Å
102R82.5Confident78Confident162 Ų16268.5 Ų68.561%0.61135%0.351SS*.Hα-helixtrans-91.2-43.4-178.4-70176175.6170.9-5.2112R98 E99 N104R98-R102 PolarHBondContact O-N 3.47Å; E99-R102 PolarHBondContact O-N 3.4Å; E99-R102 WeakPolarHBondContact OE1-CD 3.3Å; E99-R102 IonicContact OE1-CZ 2.69Å; E99-R102 IonicContact OE1-NE 2.9Å; E99-R102 IonicContact OE1-NH1 3.27Å; E99-R102 PolarHBondContact OE1-NH1 3.36Å; R102-N104 PolarHBondContact O-N 2.97Å
103Q73.5Confident77.5Confident71 Ų7168.1 Ų68.133%0.33235%0.354SS..SBendtrans-80.4117.6-178.2-70.6-17214.700110F61 E99F61-Q103 HydrophobicContact CD1-CB 4.17Å; F61-Q103 HydrophobicContact CE1-CB 3.83Å; E99-Q103 PolarHBondContact O-N 2.98Å
104N65.2Low77Confident136 Ų13673.5 Ų73.573%0.72737%0.368SS*.PPolyproline II helixtrans-75.3131.6166.2-79.8-26.3000109.1R102R102-N104 PolarHBondContact O-N 2.97Å
105D68.8Low76.7Confident13 Ų1374.4 Ų74.47%0.0737%0.37CS..PPolyproline II helixtrans-92.3119.4-174.9-116-11.3000112.4V4 R60 F61 G107V4-D105 VanDerWaalsContact CG1-OD2 3.27Å; V4-D105 WeakPolarHBondContact CG1-OD2 3.46Å; R60-D105 IonicContact CZ-OD1 2.76Å; R60-D105 IonicContact NH1-OD1 3.08Å; R60-D105 PolarHBondContact NH1-OD1 2.83Å; F61-D105 WeakPolarHBondContact CZ-OD2 3.47Å; D105-G107 VanDerWaalsContact C-N 3.31Å; D105-G107 PolarHBondContact O-N 3.23Å; D105-G107 VanDerWaalsContact O-N 3.12Å
106D65.1Low76.3Confident138 Ų13870.2 Ų70.274%0.73836%0.355SS*.  trans-85.963.4176.3-59.9-38.4000111.7R108D106-R108 PolarHBondContact O-N 3.14Å; D106-R108 VanDerWaalsContact O-N 3.09Å
107G67.6Low76.1Confident13 Ų1371.3 Ų71.313%0.13437%0.369CS..  trans52.44415900000116.7R5 R7 D105R5-G107 WeakPolarHBondContact O-CA 3.33Å; R5-G107 PolarHBondContact O-N 3.44Å; R7-G107 WeakPolarHBondContact CG-O 3.33Å; D105-G107 VanDerWaalsContact C-N 3.31Å; D105-G107 PolarHBondContact O-N 3.23Å; D105-G107 VanDerWaalsContact O-N 3.12Å
108R71.1Confident76.3Confident150 Ų15078.5 Ų78.557%0.56641%0.406SS*.EExtended strand (participates in β ladder)trans-66140.7-173.3-174.4176.1-179.9178.73112.4R5 F6 R7 D106R5-R108 PolarHBondContact O-N 2.94Å; F6-R108 CarbonylContact C-O 3.53Å; F6-R108 VanDerWaalsContact CA-O 3.3Å; F6-R108 WeakPolarHBondContact CA-O 3.5Å; R7-R108 PolarHBondContact N-O 3.15Å; D106-R108 PolarHBondContact O-N 3.14Å; D106-R108 VanDerWaalsContact O-N 3.09Å
109A71.5Confident76.4Confident49 Ų4975.5 Ų75.541%0.40540%0.397SS..EExtended strand (participates in β ladder)trans-73.8128170.100000111.4R7R7-A109 CarbonylContact O-C 3.59Å; R7-A109 VanDerWaalsContact O-CA 3.29Å; R7-A109 WeakPolarHBondContact O-CA 3.5Å
110V74.4Confident76.6Confident11 Ų1178.4 Ų78.47%0.06741%0.409CS..  trans-112.9121.4177.7-177.90000108.6F6 R7 I8 L57 L112F6-V110 HydrophobicContact CB-CG2 4.09Å; F6-V110 HydrophobicContact CD2-CB 4.48Å; F6-V110 HydrophobicContact CD2-CG2 4.11Å; F6-V110 HydrophobicContact CG-CG2 4.45Å; R7-V110 PolarHBondContact O-N 3.36Å; I8-V110 VanDerWaalsContact O-O 3.1Å; L57-V110 HydrophobicContact CD1-CG2 4.2Å; L57-V110 HydrophobicContact CD2-CG2 3.42Å; L57-V110 VanDerWaalsContact CD2-CG2 3.42Å; L57-V110 HydrophobicContact CG-CG1 4.3Å; L57-V110 HydrophobicContact CG-CG2 3.55Å; V110-L112 PolarHBondContact O-N 3.42Å
111S72.9Confident76.9Confident106 Ų10685.9 Ų85.974%0.74144%0.437SS*.  trans-71.9117.5168.553.30000109.2
112L77Confident77.4Confident38 Ų3889.2 Ų89.220%0.19945%0.448CS..  trans-70.1133.9175.2-60.7176.4000110.2I8 Y48 L49 V110 R114 S116I8-L112 HydrophobicContact CG2-CD1 3.48Å; I8-L112 VanDerWaalsContact CG2-CD1 3.48Å; I8-L112 HydrophobicContact CG2-CG 3.88Å; Y48-L112 HydrophobicContact CD2-CD1 4.1Å; Y48-L112 HydrophobicContact CD2-CD2 4.27Å; Y48-L112 HydrophobicContact CE2-CD1 4.44Å; Y48-L112 HydrophobicContact CE2-CD2 4.45Å; L49-L112 HydrophobicContact CD1-CD2 3.64Å; V110-L112 PolarHBondContact O-N 3.42Å; L112-R114 WeakPolarHBondContact CB-O 3.4Å; L112-R114 PolarHBondContact O-N 3.42Å; L112-S116 VanDerWaalsContact CD1-CB 3.46Å
113S78.7Confident77.7Confident67 Ų6785.9 Ų85.947%0.46944%0.439SS..SBendtrans-61.3-29.7173.356.60000112.9D53D53-S113 WeakPolarHBondContact OD1-CB 3.44Å; D53-S113 PolarHBondContact OD1-N 2.83Å; D53-S113 PolarHBondContact OD1-OG 3.36Å; D53-S113 PolarHBondContact OD2-OG 3.43Å
114R76Confident78.5Confident158 Ų15886.9 Ų86.960%0.59644%0.444SS*.SBendtrans-118.7144.3179.4-63.6-174.4-175.3-162.90.4111Q50 L112 S116Q50-R114 HydrophobicContact CG-CG 4.48Å; L112-R114 WeakPolarHBondContact CB-O 3.4Å; L112-R114 PolarHBondContact O-N 3.42Å; R114-S116 PolarHBondContact O-N 2.89Å
115P80.1Confident79.7Confident53 Ų5387.6 Ų87.634%0.34444%0.437SS..  trans-58.5130.5170.522.4-28000108.9E119 K120P115-E119 HydrophobicContact CB-CB 4.05Å; P115-E119 HydrophobicContact CB-CG 3.53Å; P115-K120 WeakPolarHBondContact O-CB 3.41Å
116S77.5Confident80.7Confident34 Ų3490.5 Ų90.524%0.23845%0.452CS..  trans-123.8167.7179.7-172.10000110.2Y48 L112 R114 L118 E119Y48-S116 WeakPolarHBondContact CB-OG 2.96Å; Y48-S116 VanDerWaalsContact CG-OG 3.3Å; L112-S116 VanDerWaalsContact CD1-CB 3.46Å; R114-S116 PolarHBondContact O-N 2.89Å; S116-L118 PolarHBondContact O-N 2.77Å; S116-E119 PolarHBondContact O-N 3.19Å
117G80.5Confident81.7Confident41 Ų4187.2 Ų87.242%0.42344%0.44SS..THydrogen-bonded Turntrans61.9-134.6-179.700000112.6E119 K120 W121G117-E119 VanDerWaalsContact C-N 3.32Å; G117-E119 PolarHBondContact O-N 3.46Å; G117-K120 WeakPolarHBondContact O-CB 3.26Å; G117-K120 PolarHBondContact O-N 3.07Å; G117-W121 PolarHBondContact O-N 2.96Å
118L85.4Confident82.5Confident156 Ų15692 Ų9282%0.81746%0.462SS*.Hα-helixtrans-62.3-36.4-177.4-69.3173.8000112.9S116 K120 W121 R122S116-L118 PolarHBondContact O-N 2.77Å; L118-K120 VanDerWaalsContact C-N 3.31Å; L118-K120 PolarHBondContact O-N 3.02Å; L118-W121 PolarHBondContact O-N 2.9Å; L118-W121 VanDerWaalsContact O-N 3.14Å; L118-R122 WeakPolarHBondContact O-CB 2.91Å; L118-R122 PolarHBondContact O-N 2.94Å
119E86.4Confident83Confident65 Ų6589 Ų8930%0.30446%0.46SS..Hα-helixtrans-61.8-42.8-178.5-177.455.5-151.200111.5P115 S116 G117 W121 R122 Q123P115-E119 HydrophobicContact CB-CB 4.05Å; P115-E119 HydrophobicContact CB-CG 3.53Å; S116-E119 PolarHBondContact O-N 3.19Å; G117-E119 VanDerWaalsContact C-N 3.32Å; G117-E119 PolarHBondContact O-N 3.46Å; E119-W121 VanDerWaalsContact C-N 3.33Å; E119-W121 PolarHBondContact O-N 3.18Å; E119-R122 PolarHBondContact O-N 3.43Å; E119-R122 IonicContact OE1-CZ 2.98Å; E119-R122 IonicContact OE1-NE 3.65Å; E119-R122 IonicContact OE1-NH2 2.91Å; E119-R122 PolarHBondContact OE1-NH2 2.79Å; E119-R122 IonicContact OE2-CZ 2.8Å; E119-R122 IonicContact OE2-NE 2.66Å; E119-R122 PolarHBondContact OE2-NE 3.4Å; E119-R122 IonicContact OE2-NH2 3.56Å; E119-R122 PolarHBondContact OE2-NH2 3.03Å; E119-Q123 WeakPolarHBondContact O-CG 3.31Å; E119-Q123 PolarHBondContact O-N 2.93Å; E119-Q123 PolarHBondContact OE1-NE2 3.2Å
120K88.8Confident82.9Confident112 Ų11292.9 Ų92.949%0.48747%0.47SS..Hα-helixtrans-57-48.5174.2-176.7-176.8171.5-176.40111.5P115 G117 L118 R122 Q123 H124P115-K120 WeakPolarHBondContact O-CB 3.41Å; G117-K120 WeakPolarHBondContact O-CB 3.26Å; G117-K120 PolarHBondContact O-N 3.07Å; L118-K120 VanDerWaalsContact C-N 3.31Å; L118-K120 PolarHBondContact O-N 3.02Å; K120-R122 VanDerWaalsContact C-N 3.33Å; K120-Q123 PolarHBondContact O-N 3.43Å; K120-H124 WeakPolarHBondContact O-CB 3Å; K120-H124 PolarHBondContact O-N 3.34Å
121W89.1Confident82.3Confident157 Ų157100.3 Ų100.360%0.59550%0.504SS*.Hα-helixtrans-70.8-32.2-177.5-67.8117.1000112.2G117 L118 E119 H124 Y125G117-W121 PolarHBondContact O-N 2.96Å; L118-W121 PolarHBondContact O-N 2.9Å; L118-W121 VanDerWaalsContact O-N 3.14Å; E119-W121 VanDerWaalsContact C-N 3.33Å; E119-W121 PolarHBondContact O-N 3.18Å; W121-H124 PolarHBondContact O-N 3.15Å; W121-Y125 VanDerWaalsContact O-CB 3.24Å; W121-Y125 WeakPolarHBondContact O-CB 3.37Å; W121-Y125 PolarHBondContact O-N 3.38Å
122R92.5Very high81.9Confident144 Ų144100 Ų10054%0.54350%0.5SS..Hα-helixtrans-62.7-50.1172.1-172.5179.270.8148.66.3110.7L118 E119 K120 H124 Y125 L126L118-R122 WeakPolarHBondContact O-CB 2.91Å; L118-R122 PolarHBondContact O-N 2.94Å; E119-R122 PolarHBondContact O-N 3.43Å; E119-R122 IonicContact OE1-CZ 2.98Å; E119-R122 IonicContact OE1-NE 3.65Å; E119-R122 IonicContact OE1-NH2 2.91Å; E119-R122 PolarHBondContact OE1-NH2 2.79Å; E119-R122 IonicContact OE2-CZ 2.8Å; E119-R122 IonicContact OE2-NE 2.66Å; E119-R122 PolarHBondContact OE2-NE 3.4Å; E119-R122 IonicContact OE2-NH2 3.56Å; E119-R122 PolarHBondContact OE2-NH2 3.03Å; K120-R122 VanDerWaalsContact C-N 3.33Å; R122-H124 VanDerWaalsContact C-N 3.34Å; R122-H124 PolarHBondContact O-N 2.82Å; R122-Y125 PolarHBondContact O-N 3.17Å; R122-L126 HydrophobicContact CG-CD1 4.26Å; R122-L126 WeakPolarHBondContact O-CB 3.48Å; R122-L126 VanDerWaalsContact O-CG 3.29Å; R122-L126 WeakPolarHBondContact O-CG 3.43Å; R122-L126 PolarHBondContact O-N 2.86Å
123Q90.4Very high81.4Confident92 Ų92107.2 Ų107.243%0.4353%0.532SS..Hα-helixtrans-61.4-42.7176.2-70.7179.9-1.400112.1E119 K120 L126 S127E119-Q123 WeakPolarHBondContact O-CG 3.31Å; E119-Q123 PolarHBondContact O-N 2.93Å; E119-Q123 PolarHBondContact OE1-NE2 3.2Å; K120-Q123 PolarHBondContact O-N 3.43Å; Q123-L126 PolarHBondContact O-N 3.35Å; Q123-S127 PolarHBondContact O-N 3.34Å; Q123-S127 PolarHBondContact O-OG 3.01Å
124H89.8Confident80.9Confident92 Ų92109.1 Ų109.143%0.42654%0.535SS..Hα-helixtrans-61.8-45175.8-178-88.4000111.7K120 W121 R122 S127 L128K120-H124 WeakPolarHBondContact O-CB 3Å; K120-H124 PolarHBondContact O-N 3.34Å; W121-H124 PolarHBondContact O-N 3.15Å; R122-H124 VanDerWaalsContact C-N 3.34Å; R122-H124 PolarHBondContact O-N 2.82Å; H124-S127 WeakPolarHBondContact CA-OG 3.49Å; H124-S127 PolarHBondContact O-N 3.25Å; H124-S127 PolarHBondContact O-OG 3.12Å; H124-L128 WeakPolarHBondContact O-CG 3.42Å; H124-L128 PolarHBondContact O-N 2.83Å; H124-L128 VanDerWaalsContact O-N 3.11Å
125Y90.6Very high81.2Confident151 Ų151105.1 Ų105.159%0.59253%0.528SS*.Hα-helixtrans-62.2-45.5175.8178.7-101.2000111.5W121 R122 S127 L128 V129W121-Y125 VanDerWaalsContact O-CB 3.24Å; W121-Y125 WeakPolarHBondContact O-CB 3.37Å; W121-Y125 PolarHBondContact O-N 3.38Å; R122-Y125 PolarHBondContact O-N 3.17Å; Y125-S127 VanDerWaalsContact C-N 3.27Å; Y125-S127 PolarHBondContact O-N 2.95Å; Y125-L128 WeakPolarHBondContact O-CB 3.43Å; Y125-L128 PolarHBondContact O-N 3.17Å; Y125-V129 HydrophobicContact CD1-CG2 4.09Å; Y125-V129 HydrophobicContact CD2-CG2 4.28Å; Y125-V129 HydrophobicContact CE1-CG2 3.61Å; Y125-V129 HydrophobicContact CE2-CG2 3.81Å; Y125-V129 HydrophobicContact CG-CG2 4.41Å; Y125-V129 VanDerWaalsContact CZ-CG2 3.45Å; Y125-V129 WeakPolarHBondContact O-CG2 3.27Å; Y125-V129 PolarHBondContact O-N 3.38Å
126L90.2Very high81.5Confident73 Ų73108.2 Ų108.238%0.38254%0.541SS..Hα-helixtrans-58.8-39.2174.8-71.1171.9000111.5R122 Q123 L128 V129 Q130R122-L126 HydrophobicContact CG-CD1 4.26Å; R122-L126 WeakPolarHBondContact O-CB 3.48Å; R122-L126 VanDerWaalsContact O-CG 3.29Å; R122-L126 WeakPolarHBondContact O-CG 3.43Å; R122-L126 PolarHBondContact O-N 2.86Å; Q123-L126 PolarHBondContact O-N 3.35Å; L126-L128 PolarHBondContact O-N 3.36Å; L126-V129 PolarHBondContact O-N 2.97Å; L126-Q130 WeakPolarHBondContact O-CA 3.39Å; L126-Q130 WeakPolarHBondContact O-CB 3.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.27Å; L126-Q130 PolarHBondContact O-N 2.9Å
127S86.3Confident82Confident69 Ų69110.2 Ų110.248%0.48355%0.552SS.*Hα-helixtrans-70.1-17.7175.371.30000114.7Q123 H124 Y125Q123-S127 PolarHBondContact O-N 3.34Å; Q123-S127 PolarHBondContact O-OG 3.01Å; H124-S127 WeakPolarHBondContact CA-OG 3.49Å; H124-S127 PolarHBondContact O-N 3.25Å; H124-S127 PolarHBondContact O-OG 3.12Å; Y125-S127 VanDerWaalsContact C-N 3.27Å; Y125-S127 PolarHBondContact O-N 2.95Å
128L84.1Confident82.5Confident115 Ų115112.8 Ų112.860%0.60255%0.553SS**Hα-helixtrans-87-34172.8-69.4175.8000112H124 Y125 L126H124-L128 WeakPolarHBondContact O-CG 3.42Å; H124-L128 PolarHBondContact O-N 2.83Å; H124-L128 VanDerWaalsContact O-N 3.11Å; Y125-L128 WeakPolarHBondContact O-CB 3.43Å; Y125-L128 PolarHBondContact O-N 3.17Å; L126-L128 PolarHBondContact O-N 3.36Å
129V80.4Confident82.8Confident86 Ų86106.7 Ų106.752%0.52153%0.525SS..Hα-helixtrans-85-41.5-178.1174.80000111.5Y125 L126 E131Y125-V129 HydrophobicContact CD1-CG2 4.09Å; Y125-V129 HydrophobicContact CD2-CG2 4.28Å; Y125-V129 HydrophobicContact CE1-CG2 3.61Å; Y125-V129 HydrophobicContact CE2-CG2 3.81Å; Y125-V129 HydrophobicContact CG-CG2 4.41Å; Y125-V129 VanDerWaalsContact CZ-CG2 3.45Å; Y125-V129 WeakPolarHBondContact O-CG2 3.27Å; Y125-V129 PolarHBondContact O-N 3.38Å; L126-V129 PolarHBondContact O-N 2.97Å; V129-E131 PolarHBondContact O-N 3.49Å
130Q68.8Low83.2Confident131 Ų131108.4 Ų108.461%0.61253%0.533SS*.SBendtrans-72.888.4163.7-62.2176.90.500105.2L126 P132L126-Q130 WeakPolarHBondContact O-CA 3.39Å; L126-Q130 WeakPolarHBondContact O-CB 3.48Å; L126-Q130 WeakPolarHBondContact O-CG 3.27Å; L126-Q130 PolarHBondContact O-N 2.9Å; Q130-P132 WeakPolarHBondContact O-CD 3.34Å; Q130-P132 VanDerWaalsContact O-N 3.08Å
131E63.6Low83.5Confident167 Ų167108.4 Ų108.478%0.7854%0.535SS*.  trans-48.3121.9156.9-72.4-176.616500105V129 E133V129-E131 PolarHBondContact O-N 3.49Å; E131-E133 PolarHBondContact O-N 3.11Å; E131-E133 VanDerWaalsContact O-N 3.12Å
132P63.5Low83.7Confident100 Ų100105 Ų10565%0.64953%0.531SS*.  trans-51.9131.6162.924.7-30.1000103.9Q130 M134Q130-P132 WeakPolarHBondContact O-CD 3.34Å; Q130-P132 VanDerWaalsContact O-N 3.08Å; P132-M134 PolarHBondContact O-N 3.24Å
133E66.9Low83.9Confident189 Ų189101.9 Ų101.988%0.88352%0.524SS*.  trans-60.484.7171-72.5-151.5169.300106.2E131 T135E131-E133 PolarHBondContact O-N 3.11Å; E131-E133 VanDerWaalsContact O-N 3.12Å; E133-T135 VanDerWaalsContact C-N 3.25Å; E133-T135 PolarHBondContact O-N 2.98Å
134M69Low84.1Confident107 Ų107104 Ų10453%0.52753%0.534SS..  trans-66.4103.4173.9179.8-179.5-68.100101.8P132 L136 E138 A139P132-M134 PolarHBondContact O-N 3.24Å; M134-L136 PolarHBondContact O-N 3.19Å; M134-E138 HydrophobicContact CG-CB 3.79Å; M134-A139 HydrophobicContact CG-CB 4.23Å; M134-A139 HydrophobicContact SD-CB 3.86Å
135T81.4Confident84.4Confident74 Ų74105.6 Ų105.645%0.45454%0.542SS..  trans-51.4137.6179.9-33.40000106.9E133 T137 E138 A139E133-T135 VanDerWaalsContact C-N 3.25Å; E133-T135 PolarHBondContact O-N 2.98Å; T135-T137 WeakPolarHBondContact CB-OG1 3.39Å; T135-T137 WeakPolarHBondContact CG2-OG1 3.42Å; T135-T137 CarbonylContact O-C 3.48Å; T135-T137 PolarHBondContact O-N 3.23Å; T135-E138 WeakPolarHBondContact O-CA 3.42Å; T135-E138 WeakPolarHBondContact O-CB 3.34Å; T135-E138 PolarHBondContact O-N 3.15Å; T135-E138 PolarHBondContact OG1-OE1 3.36Å; T135-A139 PolarHBondContact O-N 2.93Å; T135-A139 VanDerWaalsContact O-N 3.13Å
136L86.4Confident84.7Confident118 Ų118104.3 Ų104.362%0.61854%0.54SS*.Hα-helixtrans-51.4-28.6-179.7172.9146.1000112M134 H140M134-L136 PolarHBondContact O-N 3.19Å; L136-H140 WeakPolarHBondContact CD2-CE1 3.3Å; L136-H140 WeakPolarHBondContact O-CB 3.34Å; L136-H140 PolarHBondContact O-CD2 2.93Å; L136-H140 PolarHBondContact O-N 3.49Å
137T87.8Confident84.9Confident76 Ų76107.2 Ų107.247%0.46655%0.549SS..Hα-helixtrans-61.1-49.2170.752.60000113.2T135 A139 H140 E141T135-T137 WeakPolarHBondContact CB-OG1 3.39Å; T135-T137 WeakPolarHBondContact CG2-OG1 3.42Å; T135-T137 CarbonylContact O-C 3.48Å; T135-T137 PolarHBondContact O-N 3.23Å; T137-A139 VanDerWaalsContact C-N 3.33Å; T137-A139 PolarHBondContact O-N 3.16Å; T137-H140 WeakPolarHBondContact O-CB 3.32Å; T137-H140 PolarHBondContact O-N 2.92Å; T137-E141 WeakPolarHBondContact O-CG 3.4Å; T137-E141 PolarHBondContact O-N 3.01Å
138E92Very high85.4Confident94 Ų94106.8 Ų106.844%0.43955%0.55SS..Hα-helixtrans-62.6-41.7177.5-64.3176.3-169.800111M134 T135 H140 E141 V142M134-E138 HydrophobicContact CG-CB 3.79Å; T135-E138 WeakPolarHBondContact O-CA 3.42Å; T135-E138 WeakPolarHBondContact O-CB 3.34Å; T135-E138 PolarHBondContact O-N 3.15Å; T135-E138 PolarHBondContact OG1-OE1 3.36Å; E138-H140 VanDerWaalsContact C-N 3.33Å; E138-H140 PolarHBondContact O-N 2.97Å; E138-E141 PolarHBondContact O-N 3.43Å; E138-V142 VanDerWaalsContact O-CG2 3.31Å; E138-V142 WeakPolarHBondContact O-CG2 3.32Å; E138-V142 PolarHBondContact O-N 3.13Å
139A90.4Very high85.8Confident29 Ų29105.3 Ų105.324%0.2455%0.546CS..Hα-helixtrans-61.7-43.4175.400000111.4M134 T135 T137 V142 I143M134-A139 HydrophobicContact CG-CB 4.23Å; M134-A139 HydrophobicContact SD-CB 3.86Å; T135-A139 PolarHBondContact O-N 2.93Å; T135-A139 VanDerWaalsContact O-N 3.13Å; T137-A139 VanDerWaalsContact C-N 3.33Å; T137-A139 PolarHBondContact O-N 3.16Å; A139-V142 PolarHBondContact O-N 2.93Å; A139-I143 WeakPolarHBondContact O-CD1 3.31Å; A139-I143 VanDerWaalsContact O-CG1 3.24Å; A139-I143 WeakPolarHBondContact O-CG1 3.35Å; A139-I143 PolarHBondContact O-N 3.32Å
140H94.5Very high86.3Confident101 Ų101103 Ų10347%0.46853%0.533SS..Hα-helixtrans-63.1-44.5175.3-74.9-176.6000112.1L136 T137 E138 V142 I143 E144L136-H140 WeakPolarHBondContact CD2-CE1 3.3Å; L136-H140 WeakPolarHBondContact O-CB 3.34Å; L136-H140 PolarHBondContact O-CD2 2.93Å; L136-H140 PolarHBondContact O-N 3.49Å; T137-H140 WeakPolarHBondContact O-CB 3.32Å; T137-H140 PolarHBondContact O-N 2.92Å; E138-H140 VanDerWaalsContact C-N 3.33Å; E138-H140 PolarHBondContact O-N 2.97Å; H140-V142 VanDerWaalsContact C-N 3.35Å; H140-V142 PolarHBondContact O-N 3.48Å; H140-I143 PolarHBondContact O-N 2.98Å; H140-E144 WeakPolarHBondContact O-CG 3.34Å; H140-E144 PolarHBondContact O-N 2.91Å
141E95.8Very high87.4Confident112 Ų112103.7 Ų103.752%0.52353%0.534SS..Hα-helixtrans-58.4-45.4176.1-74.8176.6-168.100111.6T137 E138 I143 E144 Q145T137-E141 WeakPolarHBondContact O-CG 3.4Å; T137-E141 PolarHBondContact O-N 3.01Å; E138-E141 PolarHBondContact O-N 3.43Å; E141-I143 VanDerWaalsContact C-N 3.33Å; E141-I143 PolarHBondContact O-N 3.41Å; E141-E144 PolarHBondContact O-N 3.06Å; E141-Q145 WeakPolarHBondContact O-CB 3.29Å; E141-Q145 VanDerWaalsContact O-CG 3.29Å; E141-Q145 WeakPolarHBondContact O-CG 3.42Å; E141-Q145 PolarHBondContact O-N 3.07Å
142V94.2Very high88.6Confident84 Ų8499.2 Ų99.251%0.50952%0.521SS..Hα-helixtrans-61.6-42.6176.5171.90000111.1E138 A139 H140 F146E138-V142 VanDerWaalsContact O-CG2 3.31Å; E138-V142 WeakPolarHBondContact O-CG2 3.32Å; E138-V142 PolarHBondContact O-N 3.13Å; A139-V142 PolarHBondContact O-N 2.93Å; H140-V142 VanDerWaalsContact C-N 3.35Å; H140-V142 PolarHBondContact O-N 3.48Å; V142-F146 WeakPolarHBondContact O-CB 3.29Å; V142-F146 PolarHBondContact O-N 2.91Å
143I95.1Very high89.7Confident79 Ų7997.3 Ų97.341%0.40551%0.506SS..Hα-helixtrans-65.3-41.1177.5-70.4166.4000110.9A139 H140 E141 F146 K147A139-I143 WeakPolarHBondContact O-CD1 3.31Å; A139-I143 VanDerWaalsContact O-CG1 3.24Å; A139-I143 WeakPolarHBondContact O-CG1 3.35Å; A139-I143 PolarHBondContact O-N 3.32Å; H140-I143 PolarHBondContact O-N 2.98Å; E141-I143 VanDerWaalsContact C-N 3.33Å; E141-I143 PolarHBondContact O-N 3.41Å; I143-F146 PolarHBondContact O-N 2.88Å; I143-K147 HydrophobicContact CG2-CD 4Å; I143-K147 HydrophobicContact CG2-CG 4.38Å; I143-K147 WeakPolarHBondContact O-CB 3.48Å; I143-K147 VanDerWaalsContact O-CG 3.27Å; I143-K147 WeakPolarHBondContact O-CG 3.24Å; I143-K147 PolarHBondContact O-N 2.85Å
144E96.3Very high90.6Very high136 Ų13695.7 Ų95.764%0.63650%0.496SS*.Hα-helixtrans-66.2-46177.3-75.1-163.5155.300112H140 E141 F146 K147 A148H140-E144 WeakPolarHBondContact O-CG 3.34Å; H140-E144 PolarHBondContact O-N 2.91Å; E141-E144 PolarHBondContact O-N 3.06Å; E144-F146 VanDerWaalsContact C-N 3.28Å; E144-F146 PolarHBondContact O-N 3.1Å; E144-K147 PolarHBondContact O-N 3.42Å; E144-A148 WeakPolarHBondContact O-CB 3.46Å; E144-A148 PolarHBondContact O-N 3.35Å
145Q96.2Very high91.5Very high127 Ų12795.9 Ų95.959%0.59350%0.498SS*.Hα-helixtrans-56.8-44.4173-71.8177.815.800110.9E141 A148 V149E141-Q145 WeakPolarHBondContact O-CB 3.29Å; E141-Q145 VanDerWaalsContact O-CG 3.29Å; E141-Q145 WeakPolarHBondContact O-CG 3.42Å; E141-Q145 PolarHBondContact O-N 3.07Å; Q145-A148 PolarHBondContact O-N 2.95Å; Q145-V149 VanDerWaalsContact O-CG2 3.31Å; Q145-V149 WeakPolarHBondContact O-CG2 3.31Å; Q145-V149 PolarHBondContact O-N 3.35Å
146F95.4Very high91.6Very high123 Ų123100.2 Ų100.254%0.53951%0.506SS..Hα-helixtrans-65.1-40.9177.2-179.4-97.8000112.9V142 I143 E144 S150V142-F146 WeakPolarHBondContact O-CB 3.29Å; V142-F146 PolarHBondContact O-N 2.91Å; I143-F146 PolarHBondContact O-N 2.88Å; E144-F146 VanDerWaalsContact C-N 3.28Å; E144-F146 PolarHBondContact O-N 3.1Å; F146-S150 VanDerWaalsContact O-CB 3.26Å; F146-S150 WeakPolarHBondContact O-CB 3.38Å; F146-S150 PolarHBondContact O-N 3.26Å; F146-S150 PolarHBondContact O-OG 3.35Å
147K95.6Very high91.3Very high134 Ų134101.6 Ų101.658%0.58351%0.507SS*.Hα-helixtrans-63-42.9174.9-77.8172.9-179.91730110.9I143 E144 S150 K151I143-K147 HydrophobicContact CG2-CD 4Å; I143-K147 HydrophobicContact CG2-CG 4.38Å; I143-K147 WeakPolarHBondContact O-CB 3.48Å; I143-K147 VanDerWaalsContact O-CG 3.27Å; I143-K147 WeakPolarHBondContact O-CG 3.24Å; I143-K147 PolarHBondContact O-N 2.85Å; E144-K147 PolarHBondContact O-N 3.42Å; K147-S150 PolarHBondContact O-N 2.84Å; K147-K151 WeakPolarHBondContact O-CB 3.13Å; K147-K151 PolarHBondContact O-N 3.19Å
148A95Very high91Very high60 Ų60100.8 Ų100.850%0.49651%0.508SS..Hα-helixtrans-62.2-48.5176.800000111.7E144 Q145 S150 K151 S152E144-A148 WeakPolarHBondContact O-CB 3.46Å; E144-A148 PolarHBondContact O-N 3.35Å; Q145-A148 PolarHBondContact O-N 2.95Å; A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 2.76Å; A148-K151 PolarHBondContact O-N 2.73Å; A148-S152 WeakPolarHBondContact O-CB 3.43Å; A148-S152 PolarHBondContact O-N 2.64Å
149V93.3Very high90.5Very high85 Ų8599.2 Ų99.252%0.51551%0.511SS..Hα-helixtrans-62.1-40.1176171.50000111.4Q145 N153Q145-V149 VanDerWaalsContact O-CG2 3.31Å; Q145-V149 WeakPolarHBondContact O-CG2 3.31Å; Q145-V149 PolarHBondContact O-N 3.35Å; V149-N153 WeakPolarHBondContact CG1-ND2 3.44Å; V149-N153 WeakPolarHBondContact O-CB 3.24Å; V149-N153 PolarHBondContact O-N 3.01Å; V149-N153 PolarHBondContact O-ND2 2.85Å
150S90.1Very high89.7Confident37 Ų37101 Ų10126%0.25952%0.519SS..Hα-helixtrans-66.7-40.6177.1-67.80000111.9F146 K147 A148 N153 K154F146-S150 VanDerWaalsContact O-CB 3.26Å; F146-S150 WeakPolarHBondContact O-CB 3.38Å; F146-S150 PolarHBondContact O-N 3.26Å; F146-S150 PolarHBondContact O-OG 3.35Å; K147-S150 PolarHBondContact O-N 2.84Å; A148-S150 VanDerWaalsContact C-N 3.32Å; A148-S150 PolarHBondContact O-N 2.76Å; S150-N153 PolarHBondContact O-N 3.07Å; S150-K154 WeakPolarHBondContact O-CG 3.46Å; S150-K154 PolarHBondContact O-N 3.18Å
151K92.5Very high88.8Confident145 Ų14599 Ų9963%0.6352%0.52SS*.Hα-helixtrans-64.3-48.1175.6-174.5178.8178.9-176.80111.2K147 A148 N153 K154 L155K147-K151 WeakPolarHBondContact O-CB 3.13Å; K147-K151 PolarHBondContact O-N 3.19Å; A148-K151 PolarHBondContact O-N 2.73Å; K151-N153 VanDerWaalsContact C-N 3.34Å; K151-N153 PolarHBondContact O-N 2.75Å; K151-K154 PolarHBondContact O-N 3.39Å; K151-K154 VanDerWaalsContact O-N 3.13Å; K151-L155 HydrophobicContact CG-CD1 4.26Å; K151-L155 WeakPolarHBondContact O-CG 3.38Å; K151-L155 PolarHBondContact O-N 2.87Å
152S89.8Confident87.8Confident74 Ų74100 Ų10052%0.51753%0.525SS..Hα-helixtrans-58.2-43.7175.71770000112A148 K154 L155 R156A148-S152 WeakPolarHBondContact O-CB 3.43Å; A148-S152 PolarHBondContact O-N 2.64Å; S152-K154 PolarHBondContact O-N 2.94Å; S152-L155 PolarHBondContact O-N 3.26Å; S152-R156 PolarHBondContact O-N 2.82Å
153N86.4Confident87Confident59 Ų59100 Ų10032%0.31653%0.527SS..Hα-helixtrans-65.7-34.3175.6-82.8-60.2000113.7V149 S150 K151 R156 K157V149-N153 WeakPolarHBondContact CG1-ND2 3.44Å; V149-N153 WeakPolarHBondContact O-CB 3.24Å; V149-N153 PolarHBondContact O-N 3.01Å; V149-N153 PolarHBondContact O-ND2 2.85Å; S150-N153 PolarHBondContact O-N 3.07Å; K151-N153 VanDerWaalsContact C-N 3.34Å; K151-N153 PolarHBondContact O-N 2.75Å; N153-R156 PolarHBondContact OD1-NH2 3.19Å; N153-K157 VanDerWaalsContact O-CG 3.3Å; N153-K157 WeakPolarHBondContact O-CG 3.28Å; N153-K157 PolarHBondContact O-N 3.31Å; N153-K157 VanDerWaalsContact O-N 3.15Å
154K85.8Confident86.3Confident156 Ų156100.7 Ų100.768%0.67853%0.531SS*.Hα-helixtrans-67.1-44.8173.6-73.7177.8-173.5-175.60111.2S150 K151 S152 R156 K157 A158S150-K154 WeakPolarHBondContact O-CG 3.46Å; S150-K154 PolarHBondContact O-N 3.18Å; K151-K154 PolarHBondContact O-N 3.39Å; K151-K154 VanDerWaalsContact O-N 3.13Å; S152-K154 PolarHBondContact O-N 2.94Å; K154-R156 PolarHBondContact O-N 3.37Å; K154-K157 PolarHBondContact O-N 2.93Å; K154-A158 PolarHBondContact O-N 2.8Å
155L87.4Confident85.6Confident111 Ų111104.2 Ų104.258%0.58155%0.548SS*.Hα-helixtrans-59.6-45.9176.2-71.9167000111.5K151 S152 K157 A158 A159K151-L155 HydrophobicContact CG-CD1 4.26Å; K151-L155 WeakPolarHBondContact O-CG 3.38Å; K151-L155 PolarHBondContact O-N 2.87Å; S152-L155 PolarHBondContact O-N 3.26Å; L155-K157 VanDerWaalsContact C-N 3.31Å; L155-K157 PolarHBondContact O-N 3.04Å; L155-A158 PolarHBondContact O-N 3.15Å; L155-A158 VanDerWaalsContact O-N 3.16Å; L155-A159 PolarHBondContact O-N 2.82Å
156R83.5Confident84.9Confident165 Ų165104.9 Ų104.962%0.62356%0.556SS**Hα-helixtrans-60.5-39.9176.7-172175.561.2157.8-7.1112.6S152 N153 K154 A159 T160S152-R156 PolarHBondContact O-N 2.82Å; N153-R156 PolarHBondContact OD1-NH2 3.19Å; K154-R156 PolarHBondContact O-N 3.37Å; R156-A159 PolarHBondContact O-N 2.96Å; R156-T160 PolarHBondContact O-N 2.77Å; R156-T160 PolarHBondContact O-OG1 2.89Å
157K80.5Confident84.2Confident147 Ų147101.7 Ų101.764%0.63956%0.557SS**Hα-helixtrans-67.9-37.5175.8-74.5177.7176.2-164.90112.6N153 K154 L155 T160 A161N153-K157 VanDerWaalsContact O-CG 3.3Å; N153-K157 WeakPolarHBondContact O-CG 3.28Å; N153-K157 PolarHBondContact O-N 3.31Å; N153-K157 VanDerWaalsContact O-N 3.15Å; K154-K157 PolarHBondContact O-N 2.93Å; L155-K157 VanDerWaalsContact C-N 3.31Å; L155-K157 PolarHBondContact O-N 3.04Å; K157-T160 PolarHBondContact O-N 2.81Å; K157-A161 PolarHBondContact O-N 2.79Å
158A81.9Confident83.3Confident58 Ų58104.5 Ų104.548%0.47956%0.564SS.*Hα-helixtrans-65.6-41.4175.500000111.1K154 L155 T160 A161K154-A158 PolarHBondContact O-N 2.8Å; L155-A158 PolarHBondContact O-N 3.15Å; L155-A158 VanDerWaalsContact O-N 3.16Å; A158-T160 VanDerWaalsContact C-N 3.28Å; A158-T160 PolarHBondContact O-N 3.02Å; A158-A161 WeakPolarHBondContact O-CB 3.47Å; A158-A161 PolarHBondContact O-N 3.06Å
159A80.3Confident82.6Confident61 Ų61106.5 Ų106.550%0.50457%0.565SS.*Hα-helixtrans-62-33.9174.400000112.7L155 R156 A161 E162L155-A159 PolarHBondContact O-N 2.82Å; R156-A159 PolarHBondContact O-N 2.96Å; A159-A161 PolarHBondContact O-N 2.92Å; A159-E162 PolarHBondContact O-N 3.14Å
160T73.7Confident81.9Confident66 Ų66106 Ų10641%0.40556%0.563SS.*THydrogen-bonded Turntrans-73.4-12.4173.6-450000113.4R156 K157 A158R156-T160 PolarHBondContact O-N 2.77Å; R156-T160 PolarHBondContact O-OG1 2.89Å; K157-T160 PolarHBondContact O-N 2.81Å; A158-T160 VanDerWaalsContact C-N 3.28Å; A158-T160 PolarHBondContact O-N 3.02Å
161A74.9Confident81.2Confident60 Ų60110.6 Ų110.650%0.49659%0.589SS.*THydrogen-bonded Turntrans-88.3-9.6176.400000112.6K157 A158 A159K157-A161 PolarHBondContact O-N 2.79Å; A158-A161 WeakPolarHBondContact O-CB 3.47Å; A158-A161 PolarHBondContact O-N 3.06Å; A159-A161 PolarHBondContact O-N 2.92Å
162E76.1Confident80.2Confident133 Ų133108.3 Ų108.362%0.62159%0.587SS**SBendtrans-72.2142.6170.1-64-175.1168.800109.5A159 D164A159-E162 PolarHBondContact O-N 3.14Å; E162-D164 PolarHBondContact O-N 2.94Å
163P77.6Confident79.2Confident84 Ų84115.2 Ų115.255%0.54560%0.602SS.*PPolyproline II helixtrans-64.1132.3177.225.9-31.6000109.8I169P163-I169 HydrophobicContact CB-CG1 3.93Å
164D79.5Confident78.1Confident94 Ų94119.4 Ų119.450%0.50362%0.624SS.*PPolyproline II helixtrans-61.7168.8172.6-66.2-34.2000110.4E162 D166 G167 W168E162-D164 PolarHBondContact O-N 2.94Å; D164-D166 PolarHBondContact O-N 3.2Å; D164-G167 WeakPolarHBondContact O-CA 3.41Å; D164-G167 PolarHBondContact O-N 3.02Å; D164-W168 PolarHBondContact N-O 3.44Å
165E81.7Confident77Confident209 Ų209118.3 Ų118.398%0.97762%0.621SS**THydrogen-bonded Turntrans-53.7-27.6-179-69.5-179.317300113.7G167E165-G167 VanDerWaalsContact C-N 3.32Å
166D81.9Confident75.8Confident142 Ų142123.4 Ų123.476%0.75964%0.639SS**THydrogen-bonded Turntrans-86.25.3175.8-71.1-35.2000114D164 W168D164-D166 PolarHBondContact O-N 3.2Å; D166-W168 VanDerWaalsContact C-N 3.33Å; D166-W168 PolarHBondContact O-N 3.46Å
167G80.2Confident74.6Confident55 Ų55125.5 Ų125.557%0.56765%0.647SS**SBendtrans76.910.5179.200000115.4D164 E165D164-G167 WeakPolarHBondContact O-CA 3.41Å; D164-G167 PolarHBondContact O-N 3.02Å; E165-G167 VanDerWaalsContact C-N 3.32Å
168W77.6Confident73.5Confident194 Ų194128 Ų12874%0.73566%0.658SS**  trans-87.8137.4177.8-65.197.4000111.5D164 D166D164-W168 PolarHBondContact N-O 3.44Å; D166-W168 VanDerWaalsContact C-N 3.33Å; D166-W168 PolarHBondContact O-N 3.46Å
169I79.7Confident72.5Confident101 Ų101129.2 Ų129.252%0.51866%0.659SS.*  trans-107.9121.8174-59.2170.1000108.4P163 V171P163-I169 HydrophobicContact CB-CG1 3.93Å; I169-V171 PolarHBondContact O-N 3.41Å
170T78.1Confident71.6Confident75 Ų75133.4 Ų133.446%0.4667%0.671SS.*  trans-70105.6176.5-67.50000110.2T172T170-T172 HydrophobicContact CG2-CG2 4.18Å; T170-T172 PolarHBondContact O-N 2.82Å
171V76.4Confident71Confident134 Ų134141.7 Ų141.781%0.81270%0.695SS**  trans-67.3101.3176.4-178.70000109.8I169I169-V171 PolarHBondContact O-N 3.41Å
172T70.1Confident70.6Confident96 Ų96144 Ų14459%0.58969%0.694SS**  trans-92.2135.116962.70000109.9T170 D174T170-T172 HydrophobicContact CG2-CG2 4.18Å; T170-T172 PolarHBondContact O-N 2.82Å; T172-D174 PolarHBondContact O-N 2.81Å
173R69.2Low70.4Confident220 Ų220141.3 Ų141.383%0.8369%0.69SS**  trans-78.6114.7173.7-78-178175166.4-1.5109.4Q175R173-Q175 VanDerWaalsContact C-N 3.27Å; R173-Q175 HydrophobicContact CB-CG 4.45Å; R173-Q175 PolarHBondContact O-N 2.85Å
174D63.9Low70.2Confident147 Ų147145.6 Ų145.679%0.78670%0.7SS**  trans-68.685.2167.1-93.7-18.6000110.4T172 K176T172-D174 PolarHBondContact O-N 2.81Å; D174-K176 PolarHBondContact O-N 2.89Å
175Q63Low70.1Confident132 Ų132143.9 Ų143.962%0.61770%0.695SS**  trans-75.6105170.1-65.5-165-2000108.8R173 R177R173-Q175 VanDerWaalsContact C-N 3.27Å; R173-Q175 HydrophobicContact CB-CG 4.45Å; R173-Q175 PolarHBondContact O-N 2.85Å; Q175-R177 PolarHBondContact O-N 3.44Å
176K61.7Low69.9Low218 Ų218139.2 Ų139.295%0.94867%0.669SS**SBendtrans-54.7-12.2173.8-72.7-176.8177179.80114.2D174D174-K176 PolarHBondContact O-N 2.89Å
177R58.8Low69.5Low210 Ų210135.4 Ų135.479%0.79265%0.651SS**SBendtrans-118.4128.1175.6-63.7-176.4-178.4-177.60.5109.4Q175 V179Q175-R177 PolarHBondContact O-N 3.44Å; R177-V179 PolarHBondContact O-N 3.17Å
178K58Low69.5Low199 Ų199138.8 Ų138.887%0.86565%0.652SS**  trans-63.584.2164.9-75.7178.3177.4177.10108I180K178-I180 PolarHBondContact O-N 3.43Å
179V60.1Low69.7Low84 Ų84136.6 Ų136.651%0.50965%0.647SS.*  trans-66.1121167.3-174.20000105.9R177 R181R177-V179 PolarHBondContact O-N 3.17Å; V179-R181 PolarHBondContact O-N 2.96Å; V179-R181 VanDerWaalsContact O-N 3.11Å
180I62.3Low69.6Low148 Ų148134.9 Ų134.976%0.75964%0.639SS**  trans-44.9122.6172.9-63.4165.1000107.3K178 K182K178-I180 PolarHBondContact O-N 3.43Å; I180-K182 WeakPolarHBondContact O-CG 3.36Å; I180-K182 PolarHBondContact O-N 2.85Å
181R60.9Low69.8Low241 Ų241135.1 Ų135.191%0.90964%0.638SS**  trans-56.5104.6178.1-79.2-176.1174.2179.9-2.4107.8V179V179-R181 PolarHBondContact O-N 2.96Å; V179-R181 VanDerWaalsContact O-N 3.11Å
182K65.3Low70.1Confident108 Ų108131.4 Ų131.447%0.4762%0.621SS.*  trans-69.5135.8174-57-168-176.7177.40107.2I180 Y186 V187I180-K182 WeakPolarHBondContact O-CG 3.36Å; I180-K182 PolarHBondContact O-N 2.85Å; K182-Y186 HydrophobicContact CB-CD1 3.79Å; K182-Y186 HydrophobicContact CB-CE1 4.5Å; K182-Y186 HydrophobicContact CB-CG 4.45Å; K182-Y186 HydrophobicContact CD-CD1 3.47Å; K182-Y186 VanDerWaalsContact CD-CD1 3.47Å; K182-Y186 HydrophobicContact CD-CE1 3.29Å; K182-Y186 HydrophobicContact CG-CD1 4.19Å; K182-Y186 HydrophobicContact CG-CE1 4.42Å; K182-V187 HydrophobicContact CB-CG2 4.06Å
183S71.7Confident70.7Confident76 Ų76133.8 Ų133.853%0.53162%0.623SS.*  trans-49.4142.4177.31730000110.4S185 Y186 V187S183-S185 PolarHBondContact O-N 3.31Å; S183-S185 VanDerWaalsContact O-N 3.12Å; S183-S185 PolarHBondContact OG-OG 2.85Å; S183-Y186 WeakPolarHBondContact O-CA 3.47Å; S183-Y186 WeakPolarHBondContact O-CB 3.44Å; S183-Y186 PolarHBondContact O-N 2.88Å; S183-V187 PolarHBondContact O-N 3.31Å
184K74.8Confident71.2Confident175 Ų175128.9 Ų128.976%0.76161%0.61SS**Hα-helixtrans-47.4-43.6178.2-71.2-176.7176.4-178.50111.6Y186 V187 E188K184-Y186 VanDerWaalsContact C-N 3.27Å; K184-Y186 PolarHBondContact O-N 2.89Å; K184-V187 PolarHBondContact O-N 3.33Å; K184-V187 VanDerWaalsContact O-N 3.15Å; K184-E188 WeakPolarHBondContact O-CG 3.47Å; K184-E188 PolarHBondContact O-N 3.18Å
185S76.6Confident71.9Confident57 Ų57127.4 Ų127.440%0.39960%0.601SS.*Hα-helixtrans-58.5-33.8176.866.50000114.3S183 K189S183-S185 PolarHBondContact O-N 3.31Å; S183-S185 VanDerWaalsContact O-N 3.12Å; S183-S185 PolarHBondContact OG-OG 2.85Å; S185-K189 VanDerWaalsContact O-CG 3.25Å; S185-K189 WeakPolarHBondContact O-CG 3.44Å; S185-K189 PolarHBondContact O-N 2.91Å
186Y76.7Confident72.7Confident112 Ų112124.2 Ų124.244%0.43959%0.593SS.*Hα-helixtrans-76.3-40.5178.2-178-86.8000111K182 S183 K184 K189 L190K182-Y186 HydrophobicContact CB-CD1 3.79Å; K182-Y186 HydrophobicContact CB-CE1 4.5Å; K182-Y186 HydrophobicContact CB-CG 4.45Å; K182-Y186 HydrophobicContact CD-CD1 3.47Å; K182-Y186 VanDerWaalsContact CD-CD1 3.47Å; K182-Y186 HydrophobicContact CD-CE1 3.29Å; K182-Y186 HydrophobicContact CG-CD1 4.19Å; K182-Y186 HydrophobicContact CG-CE1 4.42Å; S183-Y186 WeakPolarHBondContact O-CA 3.47Å; S183-Y186 WeakPolarHBondContact O-CB 3.44Å; S183-Y186 PolarHBondContact O-N 2.88Å; K184-Y186 VanDerWaalsContact C-N 3.27Å; K184-Y186 PolarHBondContact O-N 2.89Å; Y186-K189 PolarHBondContact O-N 3.19Å; Y186-L190 HydrophobicContact CD1-CD1 3.96Å; Y186-L190 HydrophobicContact CD1-CG 4.16Å; Y186-L190 HydrophobicContact CE1-CD1 3.3Å; Y186-L190 HydrophobicContact CE1-CD2 4.33Å; Y186-L190 HydrophobicContact CE1-CG 3.72Å; Y186-L190 PolarHBondContact O-N 2.9Å
187V75.2Confident73.5Confident61 Ų61120.7 Ų120.737%0.3758%0.578SS.*Hα-helixtrans-64.7-43.1176.5-177.50000110.5K182 S183 K184 K189 L190 N191K182-V187 HydrophobicContact CB-CG2 4.06Å; S183-V187 PolarHBondContact O-N 3.31Å; K184-V187 PolarHBondContact O-N 3.33Å; K184-V187 VanDerWaalsContact O-N 3.15Å; V187-K189 VanDerWaalsContact C-N 3.35Å; V187-K189 PolarHBondContact O-N 3.15Å; V187-L190 PolarHBondContact O-N 2.8Å; V187-N191 WeakPolarHBondContact O-CB 3.46Å; V187-N191 VanDerWaalsContact O-CG 3.3Å; V187-N191 PolarHBondContact O-N 3.32Å
188E79.9Confident74.1Confident127 Ų127117.2 Ų117.259%0.59357%0.569SS**Hα-helixtrans-58.8-43.8174.1-76.8168-168.700112.2K184 L190 N191 A192K184-E188 WeakPolarHBondContact O-CG 3.47Å; K184-E188 PolarHBondContact O-N 3.18Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-L190 PolarHBondContact O-N 2.67Å; E188-N191 PolarHBondContact O-N 3.29Å; E188-A192 VanDerWaalsContact O-CB 3.28Å; E188-A192 WeakPolarHBondContact O-CB 3.19Å; E188-A192 PolarHBondContact O-N 3.5Å
189K81.7Confident74.7Confident147 Ų147114.7 Ų114.764%0.63956%0.558SS**Hα-helixtrans-64.1-37.2176.5-76.1174.3-176.6-179.10112.8S185 Y186 V187 K193S185-K189 VanDerWaalsContact O-CG 3.25Å; S185-K189 WeakPolarHBondContact O-CG 3.44Å; S185-K189 PolarHBondContact O-N 2.91Å; Y186-K189 PolarHBondContact O-N 3.19Å; V187-K189 VanDerWaalsContact C-N 3.35Å; V187-K189 PolarHBondContact O-N 3.15Å; K189-K193 WeakPolarHBondContact O-CG 3.49Å; K189-K193 PolarHBondContact O-N 3.41Å; K189-K193 VanDerWaalsContact O-N 3.15Å
190L77.4Confident75.1Confident66 Ų66117.8 Ų117.835%0.34656%0.564SS.*Hα-helixtrans-67.8-46.8174.8-73.1-172.3000111.4Y186 V187 E188 A192 K193 E194Y186-L190 HydrophobicContact CD1-CD1 3.96Å; Y186-L190 HydrophobicContact CD1-CG 4.16Å; Y186-L190 HydrophobicContact CE1-CD1 3.3Å; Y186-L190 HydrophobicContact CE1-CD2 4.33Å; Y186-L190 HydrophobicContact CE1-CG 3.72Å; Y186-L190 PolarHBondContact O-N 2.9Å; V187-L190 PolarHBondContact O-N 2.8Å; E188-L190 VanDerWaalsContact C-N 3.34Å; E188-L190 PolarHBondContact O-N 2.67Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 2.81Å; L190-K193 WeakPolarHBondContact O-CB 3.43Å; L190-K193 PolarHBondContact O-N 3.42Å; L190-K193 VanDerWaalsContact O-N 3.14Å; L190-E194 PolarHBondContact O-N 2.8Å
191N81.1Confident75.2Confident80 Ų80116.1 Ų116.143%0.42855%0.553SS.*Hα-helixtrans-61.2-41.6177.4-70-11.1000111.4V187 E188 K193 E194 L195V187-N191 WeakPolarHBondContact O-CB 3.46Å; V187-N191 VanDerWaalsContact O-CG 3.3Å; V187-N191 PolarHBondContact O-N 3.32Å; E188-N191 PolarHBondContact O-N 3.29Å; N191-K193 VanDerWaalsContact C-N 3.32Å; N191-K193 PolarHBondContact O-N 3.43Å; N191-E194 PolarHBondContact O-N 3.3Å; N191-L195 WeakPolarHBondContact O-CB 3.27Å; N191-L195 WeakPolarHBondContact O-CD1 3.42Å; N191-L195 WeakPolarHBondContact O-CG 3.39Å; N191-L195 PolarHBondContact O-N 2.81Å
192A83.4Confident75.2Confident56 Ų56107.5 Ų107.546%0.46353%0.53SS..Hα-helixtrans-61.4-39.8175.700000112.1E188 L190 S196E188-A192 VanDerWaalsContact O-CB 3.28Å; E188-A192 WeakPolarHBondContact O-CB 3.19Å; E188-A192 PolarHBondContact O-N 3.5Å; L190-A192 VanDerWaalsContact C-N 3.32Å; L190-A192 PolarHBondContact O-N 2.81Å; A192-S196 WeakPolarHBondContact O-CB 3.49Å; A192-S196 PolarHBondContact O-N 3.47Å
193K81.9Confident74.9Confident146 Ų146110.9 Ų110.964%0.63554%0.54SS*.Hα-helixtrans-64.6-44.2173.9-79.3-177.5177.1-175.50111.8K189 L190 N191 S196 K197K189-K193 WeakPolarHBondContact O-CG 3.49Å; K189-K193 PolarHBondContact O-N 3.41Å; K189-K193 VanDerWaalsContact O-N 3.15Å; L190-K193 WeakPolarHBondContact O-CB 3.43Å; L190-K193 PolarHBondContact O-N 3.42Å; L190-K193 VanDerWaalsContact O-N 3.14Å; N191-K193 VanDerWaalsContact C-N 3.32Å; N191-K193 PolarHBondContact O-N 3.43Å; K193-S196 PolarHBondContact O-N 3.14Å; K193-S196 PolarHBondContact O-OG 2.93Å; K193-K197 PolarHBondContact O-N 3.39Å; K193-K197 VanDerWaalsContact O-N 3.16Å
194E80.4Confident74.2Confident116 Ų116111.8 Ų111.854%0.54255%0.545SS..Hα-helixtrans-65.3-43.3177-72.5-173174.300112.6L190 N191 S196 K197 K198L190-E194 PolarHBondContact O-N 2.8Å; N191-E194 PolarHBondContact O-N 3.3Å; E194-S196 VanDerWaalsContact C-N 3.3Å; E194-S196 PolarHBondContact O-N 3.43Å; E194-K197 PolarHBondContact O-N 3.34Å; E194-K198 PolarHBondContact O-N 3.27Å
195L79.4Confident73.2Confident117 Ų117108.2 Ų108.261%0.61353%0.534SS*.Hα-helixtrans-59.4-40.2174.3-78.7157000111.7N191 K197 K198 K199N191-L195 WeakPolarHBondContact O-CB 3.27Å; N191-L195 WeakPolarHBondContact O-CD1 3.42Å; N191-L195 WeakPolarHBondContact O-CG 3.39Å; N191-L195 PolarHBondContact O-N 2.81Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.84Å; L195-K198 PolarHBondContact O-N 2.67Å; L195-K199 WeakPolarHBondContact O-CB 3.46Å; L195-K199 PolarHBondContact O-N 3.24Å
196S79.7Confident72.5Confident64 Ų64113.7 Ų113.745%0.44855%0.553SS.*Hα-helixtrans-65.9-35.2177.377.30000113A192 K193 E194 K200A192-S196 WeakPolarHBondContact O-CB 3.49Å; A192-S196 PolarHBondContact O-N 3.47Å; K193-S196 PolarHBondContact O-N 3.14Å; K193-S196 PolarHBondContact O-OG 2.93Å; E194-S196 VanDerWaalsContact C-N 3.3Å; E194-S196 PolarHBondContact O-N 3.43Å; S196-K200 PolarHBondContact O-N 3.43Å
197K77.2Confident72.1Confident144 Ų144113 Ų11363%0.62656%0.561SS**Hα-helixtrans-69.5-48.2174.1-72.3-176177.7-173.10110.8K193 E194 L195 K199 K200 E201K193-K197 PolarHBondContact O-N 3.39Å; K193-K197 VanDerWaalsContact O-N 3.16Å; E194-K197 PolarHBondContact O-N 3.34Å; L195-K197 VanDerWaalsContact C-N 3.34Å; L195-K197 PolarHBondContact O-N 2.84Å; K197-K199 VanDerWaalsContact C-N 3.28Å; K197-K199 PolarHBondContact O-N 3.46Å; K197-K200 WeakPolarHBondContact O-CB 3.23Å; K197-K200 PolarHBondContact O-N 3.31Å; K197-E201 PolarHBondContact O-N 3Å
198K72.2Confident72Confident138 Ų138112.8 Ų112.860%0.656%0.561SS**Hα-helixtrans-60-34.9176.1-73.1-173.9178.1-178.40112.8E194 L195 K200 E201 S202E194-K198 PolarHBondContact O-N 3.27Å; L195-K198 PolarHBondContact O-N 2.67Å; K198-K200 VanDerWaalsContact C-N 3.34Å; K198-E201 PolarHBondContact O-N 3.35Å; K198-S202 VanDerWaalsContact O-CB 3.27Å; K198-S202 WeakPolarHBondContact O-CB 3.3Å; K198-S202 PolarHBondContact O-N 2.96Å; K198-S202 PolarHBondContact O-OG 3.11Å
199K71.1Confident71.9Confident145 Ų145114.9 Ų114.963%0.6357%0.568SS**Hα-helixtrans-72.7-24.3175.9-165.1174.1-175.7177.40113.4L195 K197 S202 R203L195-K199 WeakPolarHBondContact O-CB 3.46Å; L195-K199 PolarHBondContact O-N 3.24Å; K197-K199 VanDerWaalsContact C-N 3.28Å; K197-K199 PolarHBondContact O-N 3.46Å; K199-S202 WeakPolarHBondContact CA-OG 3.24Å; K199-S202 PolarHBondContact O-OG 2.96Å; K199-R203 PolarHBondContact O-NE 2.57Å
200K69Low72.2Confident149 Ų149114 Ų11465%0.64856%0.562SS**Hα-helixtrans-76.3-43170.3-76.5-177178.2-175.70110.7S196 K197 K198 C204S196-K200 PolarHBondContact O-N 3.43Å; K197-K200 WeakPolarHBondContact O-CB 3.23Å; K197-K200 PolarHBondContact O-N 3.31Å; K198-K200 VanDerWaalsContact C-N 3.34Å; K200-C204 PolarHBondContact O-N 2.86Å
201E63.5Low72.6Confident114 Ų114120.9 Ų120.953%0.53358%0.583SS.*Hα-helixtrans-65.7-43.4174.4-76169.817900111.6K197 K198 R203 C204 N205K197-E201 PolarHBondContact O-N 3Å; K198-E201 PolarHBondContact O-N 3.35Å; E201-R203 VanDerWaalsContact C-N 3.28Å; E201-R203 PolarHBondContact O-N 2.92Å; E201-C204 CarbonylContact O-C 3.56Å; E201-C204 VanDerWaalsContact O-CA 3.28Å; E201-C204 WeakPolarHBondContact O-CA 3.36Å; E201-C204 WeakPolarHBondContact O-CB 3.3Å; E201-C204 PolarHBondContact O-N 3.45Å; E201-N205 WeakPolarHBondContact O-CB 3.37Å; E201-N205 PolarHBondContact O-N 3.19Å; E201-N205 PolarHBondContact O-ND2 3.34Å; E201-N205 PolarHBondContact O-OD1 2.87Å; E201-N205 VanDerWaalsContact O-OD1 3.04Å
202S60.8Low73.1Confident59 Ų59122 Ų12241%0.41359%0.585SS.*Hα-helixtrans-64-31.1-179.172.90000113.3K198 K199 C204 N205 E206K198-S202 VanDerWaalsContact O-CB 3.27Å; K198-S202 WeakPolarHBondContact O-CB 3.3Å; K198-S202 PolarHBondContact O-N 2.96Å; K198-S202 PolarHBondContact O-OG 3.11Å; K199-S202 WeakPolarHBondContact CA-OG 3.24Å; K199-S202 PolarHBondContact O-OG 2.96Å; S202-C204 VanDerWaalsContact C-N 3.26Å; S202-N205 CarbonylContact O-C 3.58Å; S202-N205 PolarHBondContact O-N 3.31Å; S202-E206 PolarHBondContact O-N 3.13Å
203R60Low73.3Confident179 Ų179122.9 Ų122.968%0.67558%0.579SS**Hα-helixtrans-70.8-22.9170.9-79.1-170.4-73.5168.9-3.3113K199 E201K199-R203 PolarHBondContact O-NE 2.57Å; E201-R203 VanDerWaalsContact C-N 3.28Å; E201-R203 PolarHBondContact O-N 2.92Å
204C56Low73.5Confident96 Ų96119.3 Ų119.365%0.64957%0.566SS**Hα-helixtrans-84-26.4168.5-154.90000111.5K200 E201 S202K200-C204 PolarHBondContact O-N 2.86Å; E201-C204 CarbonylContact O-C 3.56Å; E201-C204 VanDerWaalsContact O-CA 3.28Å; E201-C204 WeakPolarHBondContact O-CA 3.36Å; E201-C204 WeakPolarHBondContact O-CB 3.3Å; E201-C204 PolarHBondContact O-N 3.45Å; S202-C204 VanDerWaalsContact C-N 3.26Å
205N54.6Low74.1Confident100 Ų100121.8 Ų121.854%0.53557%0.571SS.*  trans-93.211.4-175.8-52.2-18.5000114.2E201 S202 T207E201-N205 WeakPolarHBondContact O-CB 3.37Å; E201-N205 PolarHBondContact O-N 3.19Å; E201-N205 PolarHBondContact O-ND2 3.34Å; E201-N205 PolarHBondContact O-OD1 2.87Å; E201-N205 VanDerWaalsContact O-OD1 3.04Å; S202-N205 CarbonylContact O-C 3.58Å; S202-N205 PolarHBondContact O-N 3.31Å; N205-T207 PolarHBondContact O-N 3.45Å; N205-T207 PolarHBondContact O-OG1 2.93Å
206E61.6Low74.7Confident171 Ų171119.7 Ų119.780%0.79956%0.56SS**  trans-68.547145.1-70.1-178.5-163.600108.8S202 P208S202-E206 PolarHBondContact O-N 3.13Å; E206-P208 WeakPolarHBondContact O-CD 3.48Å
207T67.3Low75.2Confident97 Ų97119.4 Ų119.460%0.59556%0.558SS**  trans-63.5115.7168440000105.5N205 F209N205-T207 PolarHBondContact O-N 3.45Å; N205-T207 PolarHBondContact O-OG1 2.93Å; T207-F209 PolarHBondContact O-N 2.81Å; T207-F209 VanDerWaalsContact O-N 3.1Å
208P73.2Confident75.9Confident57 Ų57118.4 Ų118.437%0.3755%0.554SS.*  trans-53.1120.2179.914.3-27.4000110.8E206 Q213 I214E206-P208 WeakPolarHBondContact O-CD 3.48Å; P208-Q213 VanDerWaalsContact C-OE1 3.29Å; P208-Q213 HydrophobicContact CB-CB 3.38Å; P208-Q213 HydrophobicContact CB-CG 4.32Å; P208-Q213 VanDerWaalsContact CB-OE1 3.27Å; P208-Q213 HydrophobicContact CG-CB 4.5Å; P208-I214 HydrophobicContact CB-CG1 4.06Å; P208-I214 HydrophobicContact CG-CG1 3.57Å
209F78.9Confident76.9Confident171 Ų171120.3 Ų120.375%0.7556%0.557SS**SBendtrans-65.6-38-176.8-179.9-96.2000111.7T207T207-F209 PolarHBondContact O-N 2.81Å; T207-F209 VanDerWaalsContact O-N 3.1Å
210Y87.7Confident78Confident129 Ų129120.4 Ų120.451%0.50656%0.558SS.*SBendtrans-101.5142.2-175.9-65.1-70.8000113F212 Q213Y210-F212 HydrophobicContact CD1-CE1 4.36Å; Y210-F212 AromaticContact CD2-CE1 3.59Å; Y210-F212 HydrophobicContact CD2-CE1 3.59Å; Y210-F212 HydrophobicContact CD2-CZ 4.08Å; Y210-F212 HydrophobicContact CG-CD1 4.03Å; Y210-F212 AromaticContact CG-CE1 3.48Å; Y210-F212 HydrophobicContact CG-CE1 3.48Å; Y210-F212 VanDerWaalsContact CG-CE1 3.48Å; Y210-F212 HydrophobicContact CG-CZ 4.36Å; Y210-F212 PolarHBondContact O-N 3.42Å; Y210-F212 VanDerWaalsContact O-N 3.07Å; Y210-Q213 WeakPolarHBondContact O-CB 3.43Å; Y210-Q213 PolarHBondContact O-N 3.13Å
211R86.7Confident79.2Confident210 Ų210118.6 Ų118.679%0.79255%0.551SS**Hα-helixtrans-55.4-28.4176.7-76-173.2172.4-144.30114.1R215R211-R215 PolarHBondContact O-N 3.04Å; R211-R215 VanDerWaalsContact O-N 3.13Å
212F90.1Very high80.8Confident105 Ų105117.8 Ų117.846%0.46155%0.55SS..Hα-helixtrans-69.6-36.6177.675.4-96.9000111.7Y210 I214 R215 D216Y210-F212 HydrophobicContact CD1-CE1 4.36Å; Y210-F212 AromaticContact CD2-CE1 3.59Å; Y210-F212 HydrophobicContact CD2-CE1 3.59Å; Y210-F212 HydrophobicContact CD2-CZ 4.08Å; Y210-F212 HydrophobicContact CG-CD1 4.03Å; Y210-F212 AromaticContact CG-CE1 3.48Å; Y210-F212 HydrophobicContact CG-CE1 3.48Å; Y210-F212 VanDerWaalsContact CG-CE1 3.48Å; Y210-F212 HydrophobicContact CG-CZ 4.36Å; Y210-F212 PolarHBondContact O-N 3.42Å; Y210-F212 VanDerWaalsContact O-N 3.07Å; F212-I214 VanDerWaalsContact C-N 3.33Å; F212-I214 PolarHBondContact O-N 2.98Å; F212-R215 PolarHBondContact O-N 3.4Å; F212-R215 VanDerWaalsContact O-N 3.14Å; F212-D216 WeakPolarHBondContact O-CB 3.44Å; F212-D216 VanDerWaalsContact O-CG 3.27Å; F212-D216 PolarHBondContact O-N 3.17Å
213Q88.6Confident82.5Confident74 Ų74120.9 Ų120.935%0.34656%0.558SS.*Hα-helixtrans-64.1-38.6177.2-64.8174.7-33.200111.5P208 Y210 S217P208-Q213 VanDerWaalsContact C-OE1 3.29Å; P208-Q213 HydrophobicContact CB-CB 3.38Å; P208-Q213 HydrophobicContact CB-CG 4.32Å; P208-Q213 VanDerWaalsContact CB-OE1 3.27Å; P208-Q213 HydrophobicContact CG-CB 4.5Å; Y210-Q213 WeakPolarHBondContact O-CB 3.43Å; Y210-Q213 PolarHBondContact O-N 3.13Å; Q213-S217 VanDerWaalsContact O-CB 3.27Å; Q213-S217 WeakPolarHBondContact O-CB 3.46Å; Q213-S217 PolarHBondContact O-N 2.89Å
214I86.6Confident84.2Confident70 Ų70117.2 Ų117.236%0.35955%0.548SS..Hα-helixtrans-64.7-45173.2-59.9165.9000110.6P208 F212 K218P208-I214 HydrophobicContact CB-CG1 4.06Å; P208-I214 HydrophobicContact CG-CG1 3.57Å; F212-I214 VanDerWaalsContact C-N 3.33Å; F212-I214 PolarHBondContact O-N 2.98Å; I214-K218 HydrophobicContact CG2-CD 4.26Å; I214-K218 WeakPolarHBondContact O-CB 3.42Å; I214-K218 WeakPolarHBondContact O-CG 3.41Å; I214-K218 PolarHBondContact O-N 3.41Å
215R92.4Very high86.1Confident168 Ų168118.2 Ų118.263%0.63455%0.546SS*.Hα-helixtrans-63.9-43.9178.9-82.8-172.5-80.2175.3-4112R211 F212 K218 R219R211-R215 PolarHBondContact O-N 3.04Å; R211-R215 VanDerWaalsContact O-N 3.13Å; F212-R215 PolarHBondContact O-N 3.4Å; F212-R215 VanDerWaalsContact O-N 3.14Å; R215-K218 PolarHBondContact O-N 3.38Å; R215-R219 WeakPolarHBondContact O-CB 3.03Å; R215-R219 PolarHBondContact O-N 3.31Å
216D92.1Very high88.1Confident73 Ų73119.1 Ų119.139%0.3955%0.548SS..Hα-helixtrans-66.5-41.5178.8-70.1-14.7000111.3F212 R219 K220F212-D216 WeakPolarHBondContact O-CB 3.44Å; F212-D216 VanDerWaalsContact O-CG 3.27Å; F212-D216 PolarHBondContact O-N 3.17Å; D216-R219 PolarHBondContact O-N 3.45Å; D216-K220 WeakPolarHBondContact O-CB 3.18Å; D216-K220 WeakPolarHBondContact O-CG 3.39Å; D216-K220 PolarHBondContact O-N 2.88Å
217S89.1Confident89.8Confident58 Ų58119 Ų11941%0.40654%0.54SS..Hα-helixtrans-59.6-47.9173.4179.50000111.5Q213 R219 K220 Q221Q213-S217 VanDerWaalsContact O-CB 3.27Å; Q213-S217 WeakPolarHBondContact O-CB 3.46Å; Q213-S217 PolarHBondContact O-N 2.89Å; S217-R219 PolarHBondContact O-N 3.4Å; S217-K220 PolarHBondContact O-N 2.74Å; S217-Q221 WeakPolarHBondContact O-CG 3.48Å; S217-Q221 PolarHBondContact O-N 2.89Å
218K92.1Very high91.2Very high124 Ų124119 Ų11954%0.53953%0.531SS..Hα-helixtrans-63.3-40.1176-73.3-179.1178.5-173.30112.7I214 R215 Q221 I222I214-K218 HydrophobicContact CG2-CD 4.26Å; I214-K218 WeakPolarHBondContact O-CB 3.42Å; I214-K218 WeakPolarHBondContact O-CG 3.41Å; I214-K218 PolarHBondContact O-N 3.41Å; R215-K218 PolarHBondContact O-N 3.38Å; K218-Q221 PolarHBondContact O-N 2.98Å; K218-I222 VanDerWaalsContact O-CG1 3.28Å; K218-I222 WeakPolarHBondContact O-CG1 3.37Å; K218-I222 PolarHBondContact O-N 2.72Å
219R94.7Very high92.4Very high178 Ų178123.1 Ų123.167%0.67254%0.544SS*.Hα-helixtrans-61.6-47.9176.3-178.7-177.7-79-176.2-5.7110.8R215 D216 S217 Q221 I222 E223R215-R219 WeakPolarHBondContact O-CB 3.03Å; R215-R219 PolarHBondContact O-N 3.31Å; D216-R219 PolarHBondContact O-N 3.45Å; S217-R219 PolarHBondContact O-N 3.4Å; R219-Q221 VanDerWaalsContact C-N 3.32Å; R219-Q221 PolarHBondContact O-N 3.34Å; R219-I222 PolarHBondContact O-N 3.46Å; R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 PolarHBondContact O-N 3.32Å
220K94.1Very high93.2Very high147 Ų147120.6 Ų120.664%0.63953%0.534SS*.Hα-helixtrans-59.5-41.7175.6-73.9179.6-178.8-177.80112D216 S217 E223 E224D216-K220 WeakPolarHBondContact O-CB 3.18Å; D216-K220 WeakPolarHBondContact O-CG 3.39Å; D216-K220 PolarHBondContact O-N 2.88Å; S217-K220 PolarHBondContact O-N 2.74Å; K220-E223 PolarHBondContact O-N 3.27Å; K220-E224 WeakPolarHBondContact O-CB 3.48Å; K220-E224 PolarHBondContact O-N 2.98Å
221Q93.8Very high93.6Very high110 Ų110118.2 Ų118.251%0.51453%0.528SS..Hα-helixtrans-62.3-42.8175.6-74.6177.3-22.400112.3S217 K218 R219 E224 L225S217-Q221 WeakPolarHBondContact O-CG 3.48Å; S217-Q221 PolarHBondContact O-N 2.89Å; K218-Q221 PolarHBondContact O-N 2.98Å; R219-Q221 VanDerWaalsContact C-N 3.32Å; R219-Q221 PolarHBondContact O-N 3.34Å; Q221-E224 PolarHBondContact O-N 2.95Å; Q221-L225 WeakPolarHBondContact O-CB 3.41Å; Q221-L225 VanDerWaalsContact O-CG 3.28Å; Q221-L225 WeakPolarHBondContact O-CG 3.29Å; Q221-L225 PolarHBondContact O-N 3.49Å
222I95.9Very high94.1Very high97 Ų97111.7 Ų111.750%0.49751%0.509SS..Hα-helixtrans-65.9-43.3177.3-68.1164.8000110.8K218 R219 L225 Q226K218-I222 VanDerWaalsContact O-CG1 3.28Å; K218-I222 WeakPolarHBondContact O-CG1 3.37Å; K218-I222 PolarHBondContact O-N 2.72Å; R219-I222 PolarHBondContact O-N 3.46Å; I222-L225 PolarHBondContact O-N 2.83Å; I222-Q226 HydrophobicContact CG2-CG 4.47Å; I222-Q226 WeakPolarHBondContact O-CG 3.46Å; I222-Q226 PolarHBondContact O-N 2.95Å
223E96.3Very high94.4Very high124 Ų124112.5 Ų112.558%0.57951%0.512SS*.Hα-helixtrans-62.7-42.6177.2-173.6176.6-169.800111.7R219 K220 L225 Q226 R227R219-E223 WeakPolarHBondContact O-CB 3.38Å; R219-E223 PolarHBondContact O-N 3.32Å; K220-E223 PolarHBondContact O-N 3.27Å; E223-L225 VanDerWaalsContact C-N 3.34Å; E223-L225 PolarHBondContact O-N 2.67Å; E223-Q226 PolarHBondContact O-N 2.8Å; E223-R227 WeakPolarHBondContact O-CB 3.37Å; E223-R227 PolarHBondContact O-N 3.49Å
224E96.4Very high94.7Very high102 Ų102115.3 Ų115.348%0.47752%0.523SS..Hα-helixtrans-62.9-40.6174.8-169.1-175.2165.100111.8K220 Q221 R227 K228K220-E224 WeakPolarHBondContact O-CB 3.48Å; K220-E224 PolarHBondContact O-N 2.98Å; Q221-E224 PolarHBondContact O-N 2.95Å; E224-R227 PolarHBondContact O-N 2.76Å; E224-K228 WeakPolarHBondContact O-CG 3.18Å; E224-K228 PolarHBondContact O-N 3.12Å; E224-K228 VanDerWaalsContact OE1-CE 3.28Å; E224-K228 WeakPolarHBondContact OE1-CE 3.48Å; E224-K228 IonicContact OE1-NZ 2.98Å; E224-K228 PolarHBondContact OE1-NZ 2.8Å
225L96.8Very high95.1Very high117 Ų117119.4 Ų119.461%0.61353%0.534SS*.Hα-helixtrans-65.6-41.9175.7-74.6170.8000112.2Q221 I222 E223 K228 F229Q221-L225 WeakPolarHBondContact O-CB 3.41Å; Q221-L225 VanDerWaalsContact O-CG 3.28Å; Q221-L225 WeakPolarHBondContact O-CG 3.29Å; Q221-L225 PolarHBondContact O-N 3.49Å; I222-L225 PolarHBondContact O-N 2.83Å; E223-L225 VanDerWaalsContact C-N 3.34Å; E223-L225 PolarHBondContact O-N 2.67Å; L225-K228 PolarHBondContact O-N 3.36Å; L225-F229 WeakPolarHBondContact O-CB 3.2Å; L225-F229 PolarHBondContact O-N 3.37Å
226Q96.7Very high95.2Very high120 Ų120115.2 Ų115.256%0.56152%0.523SS*.Hα-helixtrans-63.3-43.8175.5-74.3175.6-6.600111.4I222 E223 K228 F229 E230I222-Q226 HydrophobicContact CG2-CG 4.47Å; I222-Q226 WeakPolarHBondContact O-CG 3.46Å; I222-Q226 PolarHBondContact O-N 2.95Å; E223-Q226 PolarHBondContact O-N 2.8Å; Q226-K228 PolarHBondContact O-N 3.36Å; Q226-F229 WeakPolarHBondContact O-CB 3.3Å; Q226-F229 PolarHBondContact O-N 3.27Å; Q226-E230 PolarHBondContact O-N 3.44Å
227R96.9Very high95.2Very high168 Ų168117.6 Ų117.663%0.63453%0.53SS*.Hα-helixtrans-58.4-49.2175179.9-179.8172.3168.13.1111.7E223 E224 F229 E230 E231E223-R227 WeakPolarHBondContact O-CB 3.37Å; E223-R227 PolarHBondContact O-N 3.49Å; E224-R227 PolarHBondContact O-N 2.76Å; R227-F229 VanDerWaalsContact C-N 3.28Å; R227-F229 PolarHBondContact O-N 3.12Å; R227-E230 PolarHBondContact O-N 2.91Å; R227-E231 WeakPolarHBondContact CG-OE1 3.19Å; R227-E231 IonicContact CZ-OE1 3.69Å; R227-E231 IonicContact NE-OE1 2.72Å; R227-E231 PolarHBondContact NE-OE1 3.01Å; R227-E231 IonicContact NH2-OE1 3.82Å; R227-E231 WeakPolarHBondContact O-CG 3.4Å; R227-E231 PolarHBondContact O-N 3.39Å
228K96.9Very high95.4Very high97 Ų97120.3 Ų120.342%0.42254%0.54SS..Hα-helixtrans-59.5-39.8176.2-74.1175.6-175.81680111.6E224 L225 Q226 E231 D232E224-K228 WeakPolarHBondContact O-CG 3.18Å; E224-K228 PolarHBondContact O-N 3.12Å; E224-K228 VanDerWaalsContact OE1-CE 3.28Å; E224-K228 WeakPolarHBondContact OE1-CE 3.48Å; E224-K228 IonicContact OE1-NZ 2.98Å; E224-K228 PolarHBondContact OE1-NZ 2.8Å; L225-K228 PolarHBondContact O-N 3.36Å; Q226-K228 PolarHBondContact O-N 3.36Å; K228-E231 PolarHBondContact O-N 2.8Å; K228-D232 WeakPolarHBondContact O-CB 3.35Å; K228-D232 PolarHBondContact O-N 2.67Å
229F97.4Very high95.2Very high144 Ų144119 Ų11963%0.63254%0.536SS*.Hα-helixtrans-65.8-40.8177.8-173.2-99.1000113L225 Q226 R227 D232 K233L225-F229 WeakPolarHBondContact O-CB 3.2Å; L225-F229 PolarHBondContact O-N 3.37Å; Q226-F229 WeakPolarHBondContact O-CB 3.3Å; Q226-F229 PolarHBondContact O-N 3.27Å; R227-F229 VanDerWaalsContact C-N 3.28Å; R227-F229 PolarHBondContact O-N 3.12Å; F229-D232 PolarHBondContact O-N 2.75Å; F229-K233 WeakPolarHBondContact O-CB 3.13Å; F229-K233 PolarHBondContact O-N 3.35Å
230E96.7Very high95Very high117 Ų117116.3 Ų116.355%0.54753%0.533SS..Hα-helixtrans-66.6-41.3175.1-73.2-173.5-177.300112.7Q226 R227 D232 K233 K234Q226-E230 PolarHBondContact O-N 3.44Å; R227-E230 PolarHBondContact O-N 2.91Å; E230-D232 VanDerWaalsContact C-N 3.34Å; E230-K233 PolarHBondContact O-N 3.44Å; E230-K234 WeakPolarHBondContact O-CG 3.29Å; E230-K234 PolarHBondContact O-N 2.87Å
231E96.6Very high94.7Very high80 Ų80115.2 Ų115.237%0.37453%0.53SS..Hα-helixtrans-59.7-45.1174-72.6173.1-170.400110.8R227 K228 K234 R235R227-E231 WeakPolarHBondContact CG-OE1 3.19Å; R227-E231 IonicContact CZ-OE1 3.69Å; R227-E231 IonicContact NE-OE1 2.72Å; R227-E231 PolarHBondContact NE-OE1 3.01Å; R227-E231 IonicContact NH2-OE1 3.82Å; R227-E231 WeakPolarHBondContact O-CG 3.4Å; R227-E231 PolarHBondContact O-N 3.39Å; K228-E231 PolarHBondContact O-N 2.8Å; E231-K234 PolarHBondContact O-N 2.97Å; E231-R235 WeakPolarHBondContact O-CB 3.36Å; E231-R235 PolarHBondContact O-N 3.37Å
232D96.5Very high94.3Very high72 Ų72114.6 Ų114.639%0.38554%0.538SS..Hα-helixtrans-66.2-40.2176.1-77.1-7.1000112.2K228 F229 E230 K234 R235 I236K228-D232 WeakPolarHBondContact O-CB 3.35Å; K228-D232 PolarHBondContact O-N 2.67Å; F229-D232 PolarHBondContact O-N 2.75Å; E230-D232 VanDerWaalsContact C-N 3.34Å; D232-K234 VanDerWaalsContact C-N 3.33Å; D232-K234 PolarHBondContact O-N 3.29Å; D232-R235 PolarHBondContact O-N 3.01Å; D232-R235 IonicContact OD1-CZ 3.81Å; D232-R235 IonicContact OD1-NH1 3.84Å; D232-R235 PolarHBondContact OD1-NH1 3.04Å; D232-I236 WeakPolarHBondContact O-CB 3.43Å; D232-I236 VanDerWaalsContact O-CG1 3.29Å; D232-I236 WeakPolarHBondContact O-CG1 3.34Å; D232-I236 PolarHBondContact O-N 3.44Å
233K96.6Very high93.7Very high122 Ų122119.1 Ų119.153%0.5355%0.549SS..Hα-helixtrans-62-40.3175.5-168.4176.6-174.5177.40111.8F229 E230 K237F229-K233 WeakPolarHBondContact O-CB 3.13Å; F229-K233 PolarHBondContact O-N 3.35Å; E230-K233 PolarHBondContact O-N 3.44Å; K233-K237 WeakPolarHBondContact O-CG 3.35Å; K233-K237 PolarHBondContact O-N 3.06Å
234K95.2Very high92.7Very high133 Ų133120.8 Ų120.858%0.57855%0.554SS**Hα-helixtrans-65.3-44.9173.5-72.1170.8-174.8170.50111.1E230 E231 D232 I236 K237 L238E230-K234 WeakPolarHBondContact O-CG 3.29Å; E230-K234 PolarHBondContact O-N 2.87Å; E231-K234 PolarHBondContact O-N 2.97Å; D232-K234 VanDerWaalsContact C-N 3.33Å; D232-K234 PolarHBondContact O-N 3.29Å; K234-I236 VanDerWaalsContact C-N 3.34Å; K234-I236 PolarHBondContact O-N 2.91Å; K234-K237 PolarHBondContact O-N 3.3Å; K234-L238 WeakPolarHBondContact O-CG 3.41Å; K234-L238 PolarHBondContact O-N 2.87Å
235R94.6Very high91.8Very high156 Ų156124.4 Ų124.459%0.58957%0.569SS**Hα-helixtrans-59.2-44176.8-169.6-176.1-66.6125.95.7111.6E231 D232 L238 M239E231-R235 WeakPolarHBondContact O-CB 3.36Å; E231-R235 PolarHBondContact O-N 3.37Å; D232-R235 PolarHBondContact O-N 3.01Å; D232-R235 IonicContact OD1-CZ 3.81Å; D232-R235 IonicContact OD1-NH1 3.84Å; D232-R235 PolarHBondContact OD1-NH1 3.04Å; R235-L238 PolarHBondContact O-N 3.21Å; R235-M239 WeakPolarHBondContact O-CB 3.48Å; R235-M239 PolarHBondContact O-N 3.12Å
236I93.6Very high91Very high81 Ų81127.6 Ų127.642%0.41558%0.578SS.*Hα-helixtrans-65.9-42.7178.3-68.6169.5000110.9D232 K234 L238 M239 M240D232-I236 WeakPolarHBondContact O-CB 3.43Å; D232-I236 VanDerWaalsContact O-CG1 3.29Å; D232-I236 WeakPolarHBondContact O-CG1 3.34Å; D232-I236 PolarHBondContact O-N 3.44Å; K234-I236 VanDerWaalsContact C-N 3.34Å; K234-I236 PolarHBondContact O-N 2.91Å; I236-L238 PolarHBondContact O-N 3.03Å; I236-M239 CarbonylContact O-C 3.59Å; I236-M239 PolarHBondContact O-N 2.72Å; I236-M240 HydrophobicContact CG2-CE 3.4Å; I236-M240 VanDerWaalsContact CG2-CE 3.4Å; I236-M240 HydrophobicContact CG2-CG 4.32Å; I236-M240 WeakPolarHBondContact O-CG 3.41Å; I236-M240 PolarHBondContact O-N 3.23Å
237K92.9Very high90.2Very high123 Ų123125.9 Ų125.954%0.53558%0.577SS.*Hα-helixtrans-59.5-46.8176.1-79-174.9176.7-170.80112.4K233 K234 M239 M240 E241K233-K237 WeakPolarHBondContact O-CG 3.35Å; K233-K237 PolarHBondContact O-N 3.06Å; K234-K237 PolarHBondContact O-N 3.3Å; K237-M239 VanDerWaalsContact C-N 3.27Å; K237-M239 PolarHBondContact O-N 3.23Å; K237-M240 PolarHBondContact O-N 3.42Å; K237-M240 VanDerWaalsContact O-N 3.11Å; K237-E241 WeakPolarHBondContact O-CG 3.47Å; K237-E241 PolarHBondContact O-N 3.35Å
238L92.1Very high88.7Confident115 Ų115131.2 Ų131.260%0.60261%0.605SS**Hα-helixtrans-59.1-39.5175.2-71.6169.2000111.7K234 R235 I236 E241 S242K234-L238 WeakPolarHBondContact O-CG 3.41Å; K234-L238 PolarHBondContact O-N 2.87Å; R235-L238 PolarHBondContact O-N 3.21Å; I236-L238 PolarHBondContact O-N 3.03Å; L238-E241 PolarHBondContact O-N 3.31Å; L238-S242 WeakPolarHBondContact O-CB 3.45Å; L238-S242 PolarHBondContact O-N 3.19Å; L238-S242 PolarHBondContact O-OG 3.36Å
239M89.6Confident88.3Confident95 Ų95132.9 Ų132.947%0.46861%0.614SS.*Hα-helixtrans-70.1-31.1176.3-164.7-178.973.500113.1R235 I236 K237 S242 R243R235-M239 WeakPolarHBondContact O-CB 3.48Å; R235-M239 PolarHBondContact O-N 3.12Å; I236-M239 CarbonylContact O-C 3.59Å; I236-M239 PolarHBondContact O-N 2.72Å; K237-M239 VanDerWaalsContact C-N 3.27Å; K237-M239 PolarHBondContact O-N 3.23Å; M239-S242 PolarHBondContact O-OG 3.06Å; M239-S242 VanDerWaalsContact O-OG 3.12Å; M239-R243 WeakPolarHBondContact O-CB 3.5Å; M239-R243 WeakPolarHBondContact O-CD 3.47Å; M239-R243 VanDerWaalsContact O-CG 3.23Å; M239-R243 WeakPolarHBondContact O-CG 3.41Å; M239-R243 PolarHBondContact O-N 2.95Å
240M90Very high87.8Confident123 Ų123132.3 Ų132.361%0.60661%0.613SS**Hα-helixtrans-73.5-39.9173.7-68.9-162-152.200111.8I236 K237 R243 K244I236-M240 HydrophobicContact CG2-CE 3.4Å; I236-M240 VanDerWaalsContact CG2-CE 3.4Å; I236-M240 HydrophobicContact CG2-CG 4.32Å; I236-M240 WeakPolarHBondContact O-CG 3.41Å; I236-M240 PolarHBondContact O-N 3.23Å; K237-M240 PolarHBondContact O-N 3.42Å; K237-M240 VanDerWaalsContact O-N 3.11Å; M240-R243 PolarHBondContact O-N 2.86Å; M240-K244 PolarHBondContact O-N 3.2Å
241E87.7Confident87.3Confident123 Ų123133.2 Ų133.258%0.57562%0.617SS**Hα-helixtrans-66.7-40.4177.9-74.9170.7-162.700112K237 L238 R243 K244K237-E241 WeakPolarHBondContact O-CG 3.47Å; K237-E241 PolarHBondContact O-N 3.35Å; L238-E241 PolarHBondContact O-N 3.31Å; E241-R243 PolarHBondContact O-N 3.34Å; E241-K244 PolarHBondContact O-N 2.76Å
242S86.2Confident86.8Confident98 Ų98136.3 Ų136.369%0.68563%0.631SS**Hα-helixtrans-68.7-21.9174.366.40000113.4L238 M239L238-S242 WeakPolarHBondContact O-CB 3.45Å; L238-S242 PolarHBondContact O-N 3.19Å; L238-S242 PolarHBondContact O-OG 3.36Å; M239-S242 PolarHBondContact O-OG 3.06Å; M239-S242 VanDerWaalsContact O-OG 3.12Å
243R82.3Confident86.2Confident191 Ų191140.3 Ų140.372%0.72165%0.647SS**THydrogen-bonded Turntrans-85.7-0.7177.1-84.2178.8151-172.2-5.6114.9M239 M240 E241 F245M239-R243 WeakPolarHBondContact O-CB 3.5Å; M239-R243 WeakPolarHBondContact O-CD 3.47Å; M239-R243 VanDerWaalsContact O-CG 3.23Å; M239-R243 WeakPolarHBondContact O-CG 3.41Å; M239-R243 PolarHBondContact O-N 2.95Å; M240-R243 PolarHBondContact O-N 2.86Å; E241-R243 PolarHBondContact O-N 3.34Å; R243-F245 PolarHBondContact O-N 3.22Å
244K75.8Confident85.5Confident159 Ų159141.5 Ų141.569%0.69166%0.655SS**  trans-60.1108.7176.4-78.7-174.8176.7-179.70110M240 E241 K246M240-K244 PolarHBondContact O-N 3.2Å; E241-K244 PolarHBondContact O-N 2.76Å; K244-K246 PolarHBondContact O-N 3.09Å
245F77.6Confident84.8Confident178 Ų178142.1 Ų142.178%0.78166%0.66SS**  trans-55.3122.6173.7-178.1-114.6000109.3R243 P247R243-F245 PolarHBondContact O-N 3.22Å; F245-P247 HydrophobicContact CD1-CB 4.07Å; F245-P247 HydrophobicContact CD1-CG 3.85Å; F245-P247 HydrophobicContact CE1-CB 3.49Å; F245-P247 VanDerWaalsContact CE1-CB 3.49Å; F245-P247 HydrophobicContact CE1-CG 3.74Å; F245-P247 HydrophobicContact CZ-CB 4.03Å; F245-P247 VanDerWaalsContact O-CD 3.26Å; F245-P247 WeakPolarHBondContact O-CD 3.43Å
246K79.2Confident84Confident185 Ų185141.1 Ų141.180%0.80467%0.666SS**  trans-106.494.1173.3-67.1-177.6-178.8-177.90107.7K244 F248K244-K246 PolarHBondContact O-N 3.09Å; K246-F248 PolarHBondContact O-N 3.39Å
247P81Confident83.2Confident84 Ų84146.1 Ų146.155%0.54569%0.686SS.*  trans-80.496.4173.627.1-25.9000110.1F245F245-P247 HydrophobicContact CD1-CB 4.07Å; F245-P247 HydrophobicContact CD1-CG 3.85Å; F245-P247 HydrophobicContact CE1-CB 3.49Å; F245-P247 VanDerWaalsContact CE1-CB 3.49Å; F245-P247 HydrophobicContact CE1-CG 3.74Å; F245-P247 HydrophobicContact CZ-CB 4.03Å; F245-P247 VanDerWaalsContact O-CD 3.26Å; F245-P247 WeakPolarHBondContact O-CD 3.43Å
248F64.4Low82.3Confident279 Ų279148.2 Ų148.2100%1.22470%0.7SS**  trans-141.80150.3-66.8-71.6000107.2K246K246-F248 PolarHBondContact O-N 3.39Å

Retrieved 248 of 248 residues in 457.4 ms (Link to these results)

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