A0A077ZFE5_TRITR Loading...

PfkB domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFE5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 309 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
1M74.7Confident96Very high240 Ų24037.3 Ų37.3100%1.18219%0.185SC*.  0147.30-73.4-177.7-162.300107.6
2S92.2Very high96.2Very high35 Ų3535.3 Ų35.325%0.24518%0.175CC..  trans-58.5144.3167.3177.70000109.2P43 A44 A45 L46 T47S2-P43 PolarHBondContact OG-O 3.22Å; S2-A44 WeakPolarHBondContact CA-O 3.42Å; S2-A44 VanDerWaalsContact CB-O 3.27Å; S2-A44 WeakPolarHBondContact CB-O 3.38Å; S2-A45 PolarHBondContact OG-O 2.71Å; S2-L46 WeakPolarHBondContact OG-CA 3.4Å; S2-L46 PolarHBondContact OG-N 3.07Å; S2-L46 VanDerWaalsContact OG-N 3.16Å; S2-T47 PolarHBondContact OG-N 3.34Å
3K98.5Very high96.4Very high68 Ų6833.5 Ų33.530%0.29617%0.166SC..EExtended strand (participates in β ladder)trans-71.2160.3167.9-66.6-174.8-71.2178.30110A45 L46 T47 D129 Y130 L275K3-A45 PolarHBondContact N-O 2.91Å; K3-L46 HydrophobicContact CB-CD1 3.81Å; K3-L46 WeakPolarHBondContact O-CA 3.39Å; K3-T47 PolarHBondContact O-N 3.32Å; K3-T47 PolarHBondContact O-OG1 3.38Å; K3-D129 VanDerWaalsContact CA-OD2 3.24Å; K3-D129 WeakPolarHBondContact CA-OD2 3.26Å; K3-D129 HydrophobicContact CB-CB 4.14Å; K3-D129 HydrophobicContact CG-CB 4.44Å; K3-Y130 HydrophobicContact CB-CE2 4.07Å; K3-Y130 HydrophobicContact CD-CE2 3.91Å; K3-Y130 PolarHBondContact NZ-OH 3.36Å; K3-L275 VanDerWaalsContact CE-O 3.29Å; K3-L275 WeakPolarHBondContact CE-O 3.33Å; K3-L275 PolarHBondContact NZ-O 2.97Å
4K98.9Very high96.4Very high61 Ų6132.8 Ų32.827%0.26516%0.162SC..EExtended strand (participates in β ladder)trans-124.3128179.1-56.7-174.5-72.1168.80110.3F128 D129 Y130K4-F128 HydrophobicContact CB-CD1 3.49Å; K4-F128 VanDerWaalsContact CB-CD1 3.49Å; K4-F128 HydrophobicContact CB-CE1 3.58Å; K4-F128 HydrophobicContact CB-CG 4.17Å; K4-F128 HydrophobicContact CB-CZ 4.31Å; K4-F128 HydrophobicContact CD-CE1 4.26Å; K4-F128 HydrophobicContact CD-CE2 4.42Å; K4-F128 HydrophobicContact CD-CZ 4.15Å; K4-D129 PolarHBondContact N-OD2 3.28Å; K4-D129 PolarHBondContact O-N 3.5Å; K4-Y130 PolarHBondContact O-N 3.45Å; K4-Y130 VanDerWaalsContact O-N 3.07Å
5I98.9Very high96.3Very high0 Ų033.1 Ų33.10%017%0.165CC..EExtended strand (participates in β ladder)trans-109126.2165.7-177.4169.9000109.5V7 I37 L46 T47 V48 H49 Y130 I164 L271 L275I5-V7 HydrophobicContact CD1-CG2 4.23Å; I5-V7 HydrophobicContact CG1-CG2 4.05Å; I5-I37 HydrophobicContact CD1-CD1 4.13Å; I5-L46 HydrophobicContact CB-CD1 4.25Å; I5-L46 HydrophobicContact CG2-CD1 4.09Å; I5-L46 HydrophobicContact CG2-CD2 3.94Å; I5-L46 HydrophobicContact CG2-CG 4.02Å; I5-T47 WeakPolarHBondContact CG2-O 3.42Å; I5-T47 PolarHBondContact N-O 3Å; I5-V48 HydrophobicContact CG2-CB 4.32Å; I5-V48 HydrophobicContact CG2-CG1 4.39Å; I5-V48 HydrophobicContact CG2-CG2 3.99Å; I5-H49 PolarHBondContact O-N 2.87Å; I5-Y130 WeakPolarHBondContact CA-O 3.44Å; I5-Y130 HydrophobicContact CB-CD2 4.39Å; I5-I164 HydrophobicContact CD1-CD1 4.34Å; I5-L271 HydrophobicContact CD1-CD1 4.36Å; I5-L275 HydrophobicContact CD1-CD1 3.84Å
6A99Very high96Very high0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-102.1124167.200000109.5H49 V51 L125 F128 Y130 L131 Y132A6-H49 CarbonylContact C-O 3.54Å; A6-H49 WeakPolarHBondContact CA-O 2.95Å; A6-H49 HydrophobicContact CB-CB 4.41Å; A6-V51 HydrophobicContact CB-CG2 3.82Å; A6-L125 HydrophobicContact CB-CD2 3.41Å; A6-L125 VanDerWaalsContact CB-CD2 3.41Å; A6-F128 HydrophobicContact CB-CD1 3.54Å; A6-F128 HydrophobicContact CB-CE1 3.62Å; A6-F128 HydrophobicContact CB-CG 4.25Å; A6-F128 HydrophobicContact CB-CZ 4.39Å; A6-Y130 PolarHBondContact N-O 3.22Å; A6-L131 HydrophobicContact CB-CD2 3.74Å; A6-L131 CarbonylContact O-C 3.58Å; A6-L131 WeakPolarHBondContact O-CA 3.17Å; A6-Y132 PolarHBondContact O-N 3.4Å
7V99Very high95.7Very high0 Ų033.7 Ų33.70%017%0.169CC..EExtended strand (participates in β ladder)trans-107.4117.1179.8-170.20000107.7I5 T30 S34 V48 H49 Y50 V51 Y132I5-V7 HydrophobicContact CD1-CG2 4.23Å; I5-V7 HydrophobicContact CG1-CG2 4.05Å; V7-T30 WeakPolarHBondContact CG1-O 3.43Å; V7-S34 WeakPolarHBondContact CB-OG 3.42Å; V7-S34 VanDerWaalsContact CG1-OG 3.29Å; V7-S34 WeakPolarHBondContact CG1-OG 3.45Å; V7-S34 WeakPolarHBondContact CG2-OG 3.24Å; V7-V48 HydrophobicContact CG2-CG1 4.31Å; V7-H49 PolarHBondContact N-O 3.44Å; V7-Y50 HydrophobicContact CB-CD2 4.07Å; V7-Y50 HydrophobicContact CB-CE2 4.44Å; V7-Y50 HydrophobicContact CG1-CD2 4.32Å; V7-Y50 HydrophobicContact CG1-CE2 4.21Å; V7-Y50 VanDerWaalsContact O-CD2 3.24Å; V7-Y50 WeakPolarHBondContact O-CD2 3.2Å; V7-V51 PolarHBondContact O-N 2.91Å; V7-Y132 CarbonylContact C-O 3.55Å; V7-Y132 WeakPolarHBondContact CA-O 3.37Å; V7-Y132 HydrophobicContact CG1-CD1 3.5Å; V7-Y132 HydrophobicContact CG1-CE1 4.18Å; V7-Y132 HydrophobicContact CG1-CG 4.2Å
8I99Very high94.9Very high1 Ų138.8 Ų38.81%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-107.9128-168.2-57163.1000109.4T30 V51 W112 Y132 L133 S137 L149I8-T30 WeakPolarHBondContact O-CG2 3.42Å; I8-V51 WeakPolarHBondContact CA-O 3.49Å; I8-V51 HydrophobicContact CG1-CB 3.94Å; I8-V51 HydrophobicContact CG1-CG1 4.34Å; I8-V51 HydrophobicContact CG1-CG2 4.36Å; I8-W112 HydrophobicContact CG2-CH2 4.44Å; I8-W112 HydrophobicContact CG2-CZ2 3.61Å; I8-Y132 PolarHBondContact N-O 3.02Å; I8-L133 HydrophobicContact CB-CB 4.3Å; I8-S137 WeakPolarHBondContact O-CB 3.49Å; I8-S137 PolarHBondContact O-OG 3.24Å; I8-L149 HydrophobicContact CD1-CD1 4.22Å
9G98.8Very high94.3Very high3 Ų340 Ų403%0.03121%0.213CC..SBendtrans169.4-146.1173.400000114.4T30 V51 T52 S137G9-T30 WeakPolarHBondContact CA-OG1 3.44Å; G9-V51 PolarHBondContact N-O 3.12Å; G9-T52 VanDerWaalsContact O-CB 3.25Å; G9-T52 WeakPolarHBondContact O-CB 3.43Å; G9-T52 PolarHBondContact O-OG1 2.66Å; G9-S137 WeakPolarHBondContact CA-OG 3.47Å
10E98.8Very high93.8Very high1 Ų143.1 Ų43.11%0.00524%0.244CC..  trans-125.2134.4-177.2179.4176.5-167.200110.6M12 G28 Y50 R104 A107 A109 I140E10-M12 HydrophobicContact CG-CG 3.93Å; E10-M12 WeakPolarHBondContact OE1-CG 3.44Å; E10-G28 WeakPolarHBondContact O-CA 3.47Å; E10-Y50 VanDerWaalsContact C-OH 3.28Å; E10-Y50 PolarHBondContact N-OH 2.54Å; E10-Y50 PolarHBondContact O-OH 3.14Å; E10-R104 IonicContact OE1-NE 3.48Å; E10-R104 IonicContact OE2-CZ 3.39Å; E10-R104 VanDerWaalsContact OE2-CZ 3.28Å; E10-R104 IonicContact OE2-NE 2.69Å; E10-R104 PolarHBondContact OE2-NE 2.66Å; E10-R104 VanDerWaalsContact OE2-NE 3.14Å; E10-R104 IonicContact OE2-NH2 2.63Å; E10-R104 PolarHBondContact OE2-NH2 2.69Å; E10-A107 WeakPolarHBondContact OE1-CB 3.16Å; E10-A109 HydrophobicContact CB-CB 3.81Å; E10-A109 HydrophobicContact CG-CB 3.69Å; E10-I140 HydrophobicContact CB-CD1 3.74Å; E10-I140 WeakPolarHBondContact OE2-CG2 3.45Å
11C98.6Very high93.5Very high1 Ų146.5 Ų46.51%0.00726%0.262CS..  trans-111.7135.6158.8-179.20000108.7L31 Y50 W67C11-L31 HydrophobicContact CB-CB 4.09Å; C11-L31 HydrophobicContact CB-CD2 3.64Å; C11-L31 HydrophobicContact CB-CG 4.48Å; C11-L31 WeakPolarHBondContact SG-CD2 3.47Å; C11-Y50 HydrophobicContact CB-CE1 4.23Å; C11-W67 HydrophobicContact CB-CH2 3.84Å; C11-W67 HydrophobicContact CB-CZ2 3.5Å
12M98.5Very high94.4Very high13 Ų1338.9 Ų38.96%0.06423%0.229CC..EExtended strand (participates in β ladder)trans-109157.9-180-65.9174.1-73.100110.5E10 E14 F26 G27 G86 Y88 Y102 R104E10-M12 HydrophobicContact CG-CG 3.93Å; E10-M12 WeakPolarHBondContact OE1-CG 3.44Å; M12-E14 PolarHBondContact O-N 2.82Å; M12-F26 CarbonylContact O-C 3.37Å; M12-F26 WeakPolarHBondContact O-CA 3.26Å; M12-F26 WeakPolarHBondContact O-CB 3.37Å; M12-G27 PolarHBondContact N-O 3.37Å; M12-G27 PolarHBondContact O-N 3.34Å; M12-G86 CarbonylContact C-O 3.37Å; M12-G86 WeakPolarHBondContact CA-O 3.49Å; M12-G86 VanDerWaalsContact CB-O 3.26Å; M12-G86 WeakPolarHBondContact CB-O 3.42Å; M12-Y88 HydrophobicContact CB-CD1 3.61Å; M12-Y88 HydrophobicContact CB-CE1 3.9Å; M12-Y88 HydrophobicContact CE-CD1 3.68Å; M12-Y88 HydrophobicContact CE-CE1 4.02Å; M12-Y88 HydrophobicContact CE-CG 4.48Å; M12-Y88 HydrophobicContact CG-CD1 4.42Å; M12-Y88 HydrophobicContact SD-CD1 4.01Å; M12-Y102 HydrophobicContact CE-CD1 4.48Å; M12-Y102 HydrophobicContact CE-CE1 4.26Å; M12-Y102 HydrophobicContact SD-CD1 4.21Å; M12-R104 HydrophobicContact SD-CB 4.05Å; M12-R104 VanDerWaalsContact SD-CZ 3.55Å
13I98Very high94.4Very high12 Ų1244 Ų446%0.06225%0.247CC..EExtended strand (participates in β ladder)trans-64.1128.1161.3-62.8161.9000107.5R24 F59 M63 P85 G86 L87 Y88I13-R24 HydrophobicContact CG2-CG 4.24Å; I13-F59 HydrophobicContact CD1-CB 3.68Å; I13-F59 HydrophobicContact CD1-CD1 4.26Å; I13-F59 HydrophobicContact CD1-CD2 4.13Å; I13-F59 HydrophobicContact CD1-CG 3.78Å; I13-F59 HydrophobicContact CG1-CB 4.07Å; I13-F59 HydrophobicContact CG1-CG 4.46Å; I13-M63 HydrophobicContact CG1-CE 4Å; I13-P85 HydrophobicContact CD1-CB 4.02Å; I13-P85 HydrophobicContact CD1-CG 4.06Å; I13-P85 HydrophobicContact CG1-CB 3.99Å; I13-P85 HydrophobicContact CG1-CG 4.27Å; I13-G86 PolarHBondContact N-O 2.82Å; I13-L87 HydrophobicContact CB-CB 4.29Å; I13-L87 HydrophobicContact CB-CD1 4.25Å; I13-L87 HydrophobicContact CB-CG 4.2Å; I13-L87 HydrophobicContact CG2-CD1 3.95Å; I13-L87 HydrophobicContact CG2-CG 4.23Å; I13-L87 WeakPolarHBondContact O-CA 3.11Å; I13-Y88 WeakPolarHBondContact O-CD1 3.28Å; I13-Y88 PolarHBondContact O-N 3.15Å
14E96.4Very high94.2Very high24 Ų2446.7 Ų46.711%0.11226%0.255CS..EExtended strand (participates in β ladder)trans-101.3132.8173.9-179.8-179.59800109.4M12 R24 G25 Y88 I90M12-E14 PolarHBondContact O-N 2.82Å; E14-R24 CarbonylContact O-C 3.57Å; E14-R24 WeakPolarHBondContact O-CA 3.47Å; E14-G25 PolarHBondContact N-O 3.38Å; E14-G25 PolarHBondContact O-N 2.88Å; E14-Y88 HydrophobicContact CB-CE1 3.8Å; E14-Y88 HydrophobicContact CB-CE2 4.04Å; E14-Y88 VanDerWaalsContact CB-CZ 3.5Å; E14-Y88 WeakPolarHBondContact CB-OH 3.43Å; E14-Y88 VanDerWaalsContact CD-OH 3.29Å; E14-Y88 HydrophobicContact CG-CD2 4.36Å; E14-Y88 HydrophobicContact CG-CE1 4.23Å; E14-Y88 HydrophobicContact CG-CE2 3.51Å; E14-Y88 VanDerWaalsContact CG-CZ 3.45Å; E14-Y88 WeakPolarHBondContact CG-OH 3.46Å; E14-Y88 WeakPolarHBondContact OE2-CE2 3.4Å; E14-Y88 VanDerWaalsContact OE2-CZ 3.29Å; E14-Y88 PolarHBondContact OE2-OH 2.92Å; E14-I90 HydrophobicContact CG-CD1 4.22Å
15L95.8Very high94Very high38 Ų3845.1 Ų45.120%0.19926%0.256CS..EExtended strand (participates in β ladder)trans-115.3128.4160.1-64.9174.6000108.3V22 K23 R24 L87 Y88 Y89 I90L15-V22 HydrophobicContact CD2-CG1 4.48Å; L15-K23 CarbonylContact C-O 3.58Å; L15-K23 WeakPolarHBondContact CA-O 3.34Å; L15-R24 HydrophobicContact CD2-CB 3.75Å; L15-R24 HydrophobicContact CD2-CG 3.83Å; L15-L87 HydrophobicContact CD1-CD1 4.1Å; L15-L87 HydrophobicContact CD1-CD2 4.23Å; L15-Y88 PolarHBondContact N-O 3.42Å; L15-Y89 HydrophobicContact CB-CD2 3.38Å; L15-Y89 HydrophobicContact CB-CE2 3.76Å; L15-Y89 HydrophobicContact CB-CG 4.13Å; L15-Y89 HydrophobicContact CD1-CD2 3.7Å; L15-Y89 HydrophobicContact CD1-CE2 4.06Å; L15-Y89 HydrophobicContact CG-CD2 4.18Å; L15-Y89 CarbonylContact O-C 3.45Å; L15-Y89 WeakPolarHBondContact O-CA 3.49Å; L15-I90 PolarHBondContact O-N 3.36Å
16S91.7Very high93.8Very high18 Ų1847.7 Ų47.713%0.12627%0.267CS..EExtended strand (participates in β ladder)trans-124.4122.4176.552.10000111.1K23S16-K23 PolarHBondContact N-O 2.69Å; S16-K23 PolarHBondContact O-N 3.31Å
17E89.8Confident93.6Very high58 Ų5847.8 Ų47.827%0.27127%0.268SS..EExtended strand (participates in β ladder)trans-99.8135.6178.9-170.4173.1-164.300110.9D21 V22 Y89 I90E17-D21 WeakPolarHBondContact CA-O 3.49Å; E17-V22 HydrophobicContact CB-CG2 4.42Å; E17-V22 HydrophobicContact CG-CG2 4.12Å; E17-Y89 HydrophobicContact CB-CE1 3.68Å; E17-Y89 WeakPolarHBondContact CB-OH 3.32Å; E17-Y89 VanDerWaalsContact CD-OH 3.29Å; E17-Y89 WeakPolarHBondContact OE2-CE1 3.36Å; E17-Y89 PolarHBondContact OE2-OH 3.42Å; E17-I90 PolarHBondContact N-O 2.96Å
18K81.9Confident93.5Very high126 Ų12648 Ų4855%0.54827%0.27SS..EExtended strand (participates in β ladder)trans-140.8106167.8-173.2-176.4-176.9177.50109.7A20 D21K18-A20 PolarHBondContact O-N 3.47Å; K18-D21 PolarHBondContact N-O 3.29Å; K18-D21 PolarHBondContact O-N 2.91Å; K18-D21 VanDerWaalsContact O-N 3.15Å
19G83Confident93.5Very high61 Ų6148.7 Ų48.763%0.62927%0.274SS*.THydrogen-bonded Turntrans61.7-124.8-172.500000109.5
20A84Confident93.5Very high102 Ų10248.6 Ų48.684%0.84327%0.273SS*.THydrogen-bonded Turntrans-87-7.6177.800000114.1K18K18-A20 PolarHBondContact O-N 3.47Å
21D89Confident93.5Very high115 Ų11548.5 Ų48.562%0.61527%0.272SS*.EExtended strand (participates in β ladder)trans-90.2120.4-176.5-69.1-39000110.9E17 K18E17-D21 WeakPolarHBondContact CA-O 3.49Å; K18-D21 PolarHBondContact N-O 3.29Å; K18-D21 PolarHBondContact O-N 2.91Å; K18-D21 VanDerWaalsContact O-N 3.15Å
22V92.6Very high93.5Very high79 Ų7948.8 Ų48.848%0.47927%0.274SS..EExtended strand (participates in β ladder)trans-108.3121.6170.4-1770000109L15 E17 Y89L15-V22 HydrophobicContact CD2-CG1 4.48Å; E17-V22 HydrophobicContact CB-CG2 4.42Å; E17-V22 HydrophobicContact CG-CG2 4.12Å; V22-Y89 HydrophobicContact CG1-CE2 4.33Å; V22-Y89 WeakPolarHBondContact CG2-OH 3.13Å
23K93.1Very high93.5Very high144 Ų14448.2 Ų48.263%0.62627%0.271SS*.EExtended strand (participates in β ladder)trans-107.6144.1174-66.3-171.7179.8-1740110.2L15 S16L15-K23 CarbonylContact C-O 3.58Å; L15-K23 WeakPolarHBondContact CA-O 3.34Å; S16-K23 PolarHBondContact N-O 2.69Å; S16-K23 PolarHBondContact O-N 3.31Å
24R94Very high93.6Very high124 Ų12447.6 Ų47.647%0.46827%0.268SS..EExtended strand (participates in β ladder)trans-108.4134.3173.3-176.1175.560.280.5-1.4110I13 E14 L15 Q62I13-R24 HydrophobicContact CG2-CG 4.24Å; E14-R24 CarbonylContact O-C 3.57Å; E14-R24 WeakPolarHBondContact O-CA 3.47Å; L15-R24 HydrophobicContact CD2-CB 3.75Å; L15-R24 HydrophobicContact CD2-CG 3.83Å; R24-Q62 VanDerWaalsContact CZ-OE1 3.3Å
25G93.8Very high93.7Very high27 Ų2746.5 Ų46.528%0.27826%0.263SS..EExtended strand (participates in β ladder)trans-146.6-149.1174.200000110.6E14E14-G25 PolarHBondContact N-O 3.38Å; E14-G25 PolarHBondContact O-N 2.88Å
26F96Very high93.8Very high55 Ų5544.7 Ų44.724%0.24125%0.253CS..EExtended strand (participates in β ladder)trans-147155.517356.6-98.5000109.4M12 L31 M63 A66 W67 I301M12-F26 CarbonylContact O-C 3.37Å; M12-F26 WeakPolarHBondContact O-CA 3.26Å; M12-F26 WeakPolarHBondContact O-CB 3.37Å; F26-L31 HydrophobicContact CD2-CD2 3.71Å; F26-L31 HydrophobicContact CE2-CD2 3.91Å; F26-M63 HydrophobicContact CB-CG 3.72Å; F26-M63 HydrophobicContact CB-SD 3.81Å; F26-M63 HydrophobicContact CD1-CG 3.96Å; F26-M63 HydrophobicContact CG-CG 3.89Å; F26-A66 HydrophobicContact CE1-CB 3.45Å; F26-A66 VanDerWaalsContact CE1-CB 3.45Å; F26-A66 HydrophobicContact CZ-CB 3.53Å; F26-W67 AromaticContact CD2-NE1 3.63Å; F26-W67 AromaticContact CE2-CD1 3.78Å; F26-W67 AromaticContact CE2-NE1 3.43Å; F26-W67 AromaticContact CZ-CD1 3.97Å; F26-W67 AromaticContact CZ-NE1 3.89Å; F26-I301 HydrophobicContact CD2-CD1 4.35Å; F26-I301 HydrophobicContact CE2-CD1 3.67Å
27G94.5Very high94.2Very high1 Ų143.9 Ų43.91%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-165.9148.717900000112.7M12M12-G27 PolarHBondContact N-O 3.37Å; M12-G27 PolarHBondContact O-N 3.34Å
28G97.1Very high94.6Very high6 Ų641.6 Ų41.66%0.06224%0.238CC..  trans-174.3138.3178.600000109.1E10 T30 L31 N32E10-G28 WeakPolarHBondContact O-CA 3.47Å; G28-T30 VanDerWaalsContact C-N 3.35Å; G28-T30 PolarHBondContact O-N 3.05Å; G28-L31 PolarHBondContact O-N 3.18Å; G28-L31 VanDerWaalsContact O-N 3.12Å; G28-N32 PolarHBondContact O-N 2.8Å; G28-N32 PolarHBondContact O-ND2 2.96Å; G28-N32 PolarHBondContact O-OD1 3.32Å
29D98.3Very high95.4Very high15 Ų1537.4 Ų37.48%0.0822%0.219CC..Hα-helixtrans-58.3-45.6-171.462.5-43.7000112.7T33 S134 I136 N168 D264D29-T33 PolarHBondContact O-N 2.94Å; D29-T33 VanDerWaalsContact O-N 3.14Å; D29-T33 PolarHBondContact O-OG1 2.84Å; D29-S134 WeakPolarHBondContact OD2-CB 3.19Å; D29-S134 PolarHBondContact OD2-OG 3.3Å; D29-I136 HydrophobicContact CB-CD1 4.33Å; D29-N168 VanDerWaalsContact CB-ND2 3.26Å; D29-N168 WeakPolarHBondContact CB-ND2 3.33Å; D29-N168 PolarHBondContact OD2-ND2 2.86Å; D29-D264 WeakPolarHBondContact CA-OD2 3.49Å
30T98.8Very high96.1Very high0 Ų036.2 Ų36.20%020%0.197CC..Hα-helixtrans-69.7-36.2176.848.40000112.4V7 I8 G9 G28 T33 S34 Y50 Y132 S137V7-T30 WeakPolarHBondContact CG1-O 3.43Å; I8-T30 WeakPolarHBondContact O-CG2 3.42Å; G9-T30 WeakPolarHBondContact CA-OG1 3.44Å; G28-T30 VanDerWaalsContact C-N 3.35Å; G28-T30 PolarHBondContact O-N 3.05Å; T30-T33 WeakPolarHBondContact O-CB 3.45Å; T30-T33 PolarHBondContact O-N 2.8Å; T30-S34 PolarHBondContact O-N 3.3Å; T30-S34 PolarHBondContact O-OG 3.08Å; T30-S34 VanDerWaalsContact O-OG 3.11Å; T30-Y50 PolarHBondContact OG1-OH 3.23Å; T30-Y132 HydrophobicContact CG2-CD1 4.35Å; T30-Y132 HydrophobicContact CG2-CE1 3.99Å; T30-S137 WeakPolarHBondContact CG2-OG 3.36Å
31L98.8Very high96.8Very high0 Ų032.1 Ų32.10%016%0.162CC..Hα-helixtrans-68-43.2176.3176.264.9000111.7C11 F26 G28 T33 S34 V35 Y50 W67C11-L31 HydrophobicContact CB-CB 4.09Å; C11-L31 HydrophobicContact CB-CD2 3.64Å; C11-L31 HydrophobicContact CB-CG 4.48Å; C11-L31 WeakPolarHBondContact SG-CD2 3.47Å; F26-L31 HydrophobicContact CD2-CD2 3.71Å; F26-L31 HydrophobicContact CE2-CD2 3.91Å; G28-L31 PolarHBondContact O-N 3.18Å; G28-L31 VanDerWaalsContact O-N 3.12Å; L31-T33 PolarHBondContact O-N 3.49Å; L31-S34 WeakPolarHBondContact O-CB 3.36Å; L31-S34 PolarHBondContact O-N 2.92Å; L31-V35 HydrophobicContact CD1-CG2 4.1Å; L31-V35 HydrophobicContact CG-CG2 4.36Å; L31-V35 PolarHBondContact O-N 2.8Å; L31-Y50 VanDerWaalsContact CA-CE2 3.5Å; L31-Y50 HydrophobicContact CB-CE1 4.05Å; L31-Y50 HydrophobicContact CB-CE2 3.94Å; L31-Y50 HydrophobicContact CD1-CD1 4.14Å; L31-Y50 HydrophobicContact CD1-CD2 4.32Å; L31-Y50 HydrophobicContact CD1-CE1 4.24Å; L31-Y50 HydrophobicContact CD1-CE2 4.44Å; L31-Y50 HydrophobicContact CD1-CG 4.17Å; L31-Y50 PolarHBondContact N-OH 3.33Å; L31-W67 HydrophobicContact CD1-CD2 3.93Å; L31-W67 HydrophobicContact CD1-CE3 4.49Å; L31-W67 HydrophobicContact CD1-CG 4.04Å; L31-W67 HydrophobicContact CD1-CZ2 4.44Å; L31-W67 HydrophobicContact CD2-CD2 4.25Å; L31-W67 HydrophobicContact CD2-CZ2 3.61Å
32N98.5Very high97.2Very high7 Ų731.4 Ų31.44%0.03716%0.158CC..Hα-helixtrans-52.7-48.2175.1-60.9-19.5000108.6G28 S34 V35 Y36 A261 D264G28-N32 PolarHBondContact O-N 2.8Å; G28-N32 PolarHBondContact O-ND2 2.96Å; G28-N32 PolarHBondContact O-OD1 3.32Å; N32-S34 PolarHBondContact O-N 2.96Å; N32-V35 PolarHBondContact O-N 3.38Å; N32-Y36 HydrophobicContact CB-CE2 4.5Å; N32-Y36 WeakPolarHBondContact O-CD2 3.45Å; N32-Y36 PolarHBondContact O-N 3.19Å; N32-Y36 VanDerWaalsContact O-N 3.08Å; N32-A261 HydrophobicContact CB-CB 4.32Å; N32-D264 HydrophobicContact CB-CB 3.87Å; N32-D264 PolarHBondContact ND2-OD2 2.75Å
33T98.9Very high97.4Very high0 Ų031.4 Ų31.40%016%0.16CC..Hα-helixtrans-55.8-49.2175.7-52.60000111.5D29 T30 L31 V35 Y36 I37 Y132 D264 A268D29-T33 PolarHBondContact O-N 2.94Å; D29-T33 VanDerWaalsContact O-N 3.14Å; D29-T33 PolarHBondContact O-OG1 2.84Å; T30-T33 WeakPolarHBondContact O-CB 3.45Å; T30-T33 PolarHBondContact O-N 2.8Å; L31-T33 PolarHBondContact O-N 3.49Å; T33-V35 PolarHBondContact O-N 3.32Å; T33-Y36 PolarHBondContact O-N 2.79Å; T33-I37 HydrophobicContact CG2-CD1 4.01Å; T33-I37 WeakPolarHBondContact O-CG1 3.37Å; T33-I37 PolarHBondContact O-N 3.35Å; T33-Y132 HydrophobicContact CG2-CE1 4.08Å; T33-Y132 HydrophobicContact CG2-CE2 4.2Å; T33-D264 PolarHBondContact OG1-O 2.74Å; T33-A268 HydrophobicContact CG2-CB 4.01Å; T33-A268 VanDerWaalsContact O-CB 3.32Å; T33-A268 WeakPolarHBondContact O-CB 3.45Å
34S98.9Very high97.7Very high0 Ų028 Ų280%016%0.158CC..Hα-helixtrans-56.7-50178.5-58.90000113.4V7 T30 L31 N32 Y36 I37 A38 Y50V7-S34 WeakPolarHBondContact CB-OG 3.42Å; V7-S34 VanDerWaalsContact CG1-OG 3.29Å; V7-S34 WeakPolarHBondContact CG1-OG 3.45Å; V7-S34 WeakPolarHBondContact CG2-OG 3.24Å; T30-S34 PolarHBondContact O-N 3.3Å; T30-S34 PolarHBondContact O-OG 3.08Å; T30-S34 VanDerWaalsContact O-OG 3.11Å; L31-S34 WeakPolarHBondContact O-CB 3.36Å; L31-S34 PolarHBondContact O-N 2.92Å; N32-S34 PolarHBondContact O-N 2.96Å; S34-Y36 VanDerWaalsContact C-N 3.31Å; S34-Y36 PolarHBondContact O-N 2.92Å; S34-I37 PolarHBondContact O-N 3.31Å; S34-A38 WeakPolarHBondContact O-CB 3.42Å; S34-A38 PolarHBondContact O-N 3.4Å; S34-Y50 WeakPolarHBondContact OG-CD2 3.44Å
35V98.7Very high97.9Very high1 Ų123.9 Ų23.91%0.00615%0.15CC..Hα-helixtrans-61.1-43.9-178.5170.40000110.4L31 N32 T33 I37 A38 R39 E70 V72 I301L31-V35 HydrophobicContact CD1-CG2 4.1Å; L31-V35 HydrophobicContact CG-CG2 4.36Å; L31-V35 PolarHBondContact O-N 2.8Å; N32-V35 PolarHBondContact O-N 3.38Å; T33-V35 PolarHBondContact O-N 3.32Å; V35-I37 VanDerWaalsContact C-N 3.35Å; V35-I37 PolarHBondContact O-N 2.83Å; V35-A38 PolarHBondContact O-N 2.95Å; V35-R39 HydrophobicContact CG1-CG 4.45Å; V35-R39 WeakPolarHBondContact O-CB 3.09Å; V35-R39 WeakPolarHBondContact O-CG 3.41Å; V35-R39 PolarHBondContact O-N 3.26Å; V35-E70 HydrophobicContact CG1-CB 4.15Å; V35-E70 HydrophobicContact CG1-CG 3.88Å; V35-E70 HydrophobicContact CG2-CB 4.21Å; V35-E70 HydrophobicContact CG2-CG 4.25Å; V35-V72 HydrophobicContact CG2-CG2 4.31Å; V35-I301 HydrophobicContact CG1-CG2 4.01Å; V35-I301 HydrophobicContact CG2-CD1 4.18Å
36Y98.8Very high98.1Very high0 Ų022.6 Ų22.60%014%0.137CC..Hα-helixtrans-69-29.8179.4-73.6-57.1000113.7N32 T33 S34 Q40 A268 T290 V294 A300 I301 I302 M307N32-Y36 HydrophobicContact CB-CE2 4.5Å; N32-Y36 WeakPolarHBondContact O-CD2 3.45Å; N32-Y36 PolarHBondContact O-N 3.19Å; N32-Y36 VanDerWaalsContact O-N 3.08Å; T33-Y36 PolarHBondContact O-N 2.79Å; S34-Y36 VanDerWaalsContact C-N 3.31Å; S34-Y36 PolarHBondContact O-N 2.92Å; Y36-Q40 WeakPolarHBondContact O-CG 3.36Å; Y36-Q40 PolarHBondContact O-NE2 2.86Å; Y36-A268 HydrophobicContact CG-CB 4.47Å; Y36-T290 HydrophobicContact CD1-CG2 4.3Å; Y36-T290 HydrophobicContact CG-CG2 4.5Å; Y36-V294 HydrophobicContact CD1-CG2 4.43Å; Y36-V294 HydrophobicContact CE1-CG2 3.63Å; Y36-V294 HydrophobicContact CE2-CG2 4.07Å; Y36-V294 VanDerWaalsContact CZ-CG2 3.43Å; Y36-V294 VanDerWaalsContact OH-CG2 3.29Å; Y36-V294 WeakPolarHBondContact OH-CG2 3.42Å; Y36-A300 WeakPolarHBondContact CE2-O 3.16Å; Y36-A300 PolarHBondContact OH-O 3Å; Y36-I301 WeakPolarHBondContact OH-CA 3Å; Y36-I302 HydrophobicContact CE1-CD1 4.49Å; Y36-I302 HydrophobicContact CE1-CG1 4.04Å; Y36-I302 PolarHBondContact OH-N 3.44Å; Y36-I302 VanDerWaalsContact OH-N 3.1Å; Y36-M307 HydrophobicContact CD1-CE 4Å; Y36-M307 HydrophobicContact CD1-SD 3.68Å; Y36-M307 HydrophobicContact CE1-SD 3.72Å
37I98.8Very high98.2Very high0 Ų022 Ų220%014%0.138CC..Hα-helixtrans-67.9-51.6169.7-63.8168.3000109.2I5 T33 S34 V35 R39 Q40 V41 L46 V48 A268 L271I5-I37 HydrophobicContact CD1-CD1 4.13Å; T33-I37 HydrophobicContact CG2-CD1 4.01Å; T33-I37 WeakPolarHBondContact O-CG1 3.37Å; T33-I37 PolarHBondContact O-N 3.35Å; S34-I37 PolarHBondContact O-N 3.31Å; V35-I37 VanDerWaalsContact C-N 3.35Å; V35-I37 PolarHBondContact O-N 2.83Å; I37-R39 PolarHBondContact O-N 3.21Å; I37-Q40 PolarHBondContact O-N 3.41Å; I37-V41 HydrophobicContact CG2-CG1 3.96Å; I37-V41 HydrophobicContact CG2-CG2 4.35Å; I37-V41 WeakPolarHBondContact O-CG2 3.36Å; I37-V41 PolarHBondContact O-N 3.36Å; I37-L46 HydrophobicContact CG2-CD2 4.11Å; I37-V48 HydrophobicContact CB-CG2 4.06Å; I37-V48 HydrophobicContact CG2-CG2 3.55Å; I37-A268 HydrophobicContact CG1-CB 3.78Å; I37-L271 HydrophobicContact CD1-CB 4.12Å; I37-L271 HydrophobicContact CD1-CD1 4.05Å; I37-L271 HydrophobicContact CG1-CB 4.41Å
38A98.6Very high98.4Very high10 Ų1022.2 Ų22.28%0.08314%0.139CC..Hα-helixtrans-59.1-34.3-174.700000112.8S34 V35 Q40 V48 E70 V72S34-A38 WeakPolarHBondContact O-CB 3.42Å; S34-A38 PolarHBondContact O-N 3.4Å; V35-A38 PolarHBondContact O-N 2.95Å; A38-Q40 VanDerWaalsContact C-N 3.26Å; A38-Q40 PolarHBondContact O-N 2.92Å; A38-V48 HydrophobicContact CB-CB 4.17Å; A38-V48 HydrophobicContact CB-CG2 3.99Å; A38-E70 VanDerWaalsContact CB-O 3.24Å; A38-E70 WeakPolarHBondContact CB-O 3.42Å; A38-V72 HydrophobicContact CB-CG2 3.92Å
39R98.5Very high98.5Very high39 Ų3922.7 Ų22.715%0.14714%0.14CC..THydrogen-bonded Turntrans-70.6-14.4175.9-74.5175.6169.4-169.13.6115V35 I37 E70 I302 M307V35-R39 HydrophobicContact CG1-CG 4.45Å; V35-R39 WeakPolarHBondContact O-CB 3.09Å; V35-R39 WeakPolarHBondContact O-CG 3.41Å; V35-R39 PolarHBondContact O-N 3.26Å; I37-R39 PolarHBondContact O-N 3.21Å; R39-E70 IonicContact CZ-OE1 2.72Å; R39-E70 IonicContact CZ-OE2 2.94Å; R39-E70 IonicContact NE-OE1 2.65Å; R39-E70 PolarHBondContact NE-OE1 3.47Å; R39-E70 IonicContact NE-OE2 3.42Å; R39-E70 PolarHBondContact NE-OE2 3.48Å; R39-E70 IonicContact NH2-OE1 3.28Å; R39-E70 PolarHBondContact NH2-OE1 3.24Å; R39-E70 IonicContact NH2-OE2 3.39Å; R39-I302 PolarHBondContact NH1-O 3.41Å; R39-I302 PolarHBondContact NH2-O 3.35Å; R39-I302 VanDerWaalsContact NH2-O 3.08Å; R39-M307 HydrophobicContact CB-CE 3.95Å; R39-M307 HydrophobicContact CB-CG 4.47Å
40Q98.6Very high98.6Very high35 Ų3522 Ų2216%0.16414%0.136CC..THydrogen-bonded Turntrans-117.5-16.2-170-68.7-17770.400114.6Y36 I37 A38 A272 R286 T290 M307Y36-Q40 WeakPolarHBondContact O-CG 3.36Å; Y36-Q40 PolarHBondContact O-NE2 2.86Å; I37-Q40 PolarHBondContact O-N 3.41Å; A38-Q40 VanDerWaalsContact C-N 3.26Å; A38-Q40 PolarHBondContact O-N 2.92Å; Q40-A272 HydrophobicContact CB-CB 3.71Å; Q40-R286 VanDerWaalsContact OE1-CD 3.22Å; Q40-T290 PolarHBondContact NE2-OG1 3.44Å; Q40-T290 PolarHBondContact OE1-OG1 2.59Å; Q40-M307 HydrophobicContact CG-CE 3.65Å
41V98.3Very high98.6Very high16 Ų1622 Ų2210%0.09714%0.136CC..SBendtrans-100150.8-176.6-60.50000111.7I37 P43 L46 V48 A272 T276I37-V41 HydrophobicContact CG2-CG1 3.96Å; I37-V41 HydrophobicContact CG2-CG2 4.35Å; I37-V41 WeakPolarHBondContact O-CG2 3.36Å; I37-V41 PolarHBondContact O-N 3.36Å; V41-P43 WeakPolarHBondContact O-CD 3.32Å; V41-L46 HydrophobicContact CB-CB 4.32Å; V41-L46 HydrophobicContact CG1-CD2 4.18Å; V41-L46 HydrophobicContact CG2-CB 4.27Å; V41-L46 WeakPolarHBondContact CG2-O 3.45Å; V41-V48 HydrophobicContact CG2-CG2 4.48Å; V41-A272 HydrophobicContact CG1-CB 3.8Å; V41-T276 HydrophobicContact CG1-CG2 4.24Å
42D97.8Very high98.6Very high101 Ų10122 Ų2254%0.5414%0.136SC..  trans-71.3120.8164.2-178.9-8.2000108.8A44 A45 L46D42-A44 PolarHBondContact O-N 3.04Å; D42-A44 VanDerWaalsContact O-N 3.09Å; D42-A44 WeakPolarHBondContact OD1-CB 3.49Å; D42-A44 PolarHBondContact OD1-N 2.92Å; D42-A45 HydrophobicContact CB-CB 4.2Å; D42-A45 WeakPolarHBondContact O-CA 3.4Å; D42-A45 WeakPolarHBondContact O-CB 3.44Å; D42-A45 PolarHBondContact O-N 3.49Å; D42-L46 PolarHBondContact O-N 3.29Å
43P97.5Very high98.6Very high79 Ų7921.7 Ų21.751%0.51314%0.135SC..THydrogen-bonded Turntrans-58.9-19.7177.1-23.934.7000114.2S2 V41 A45 T47S2-P43 PolarHBondContact OG-O 3.22Å; V41-P43 WeakPolarHBondContact O-CD 3.32Å; P43-A45 VanDerWaalsContact C-N 3.32Å; P43-T47 WeakPolarHBondContact O-CG2 3.34Å
44A97.8Very high98.6Very high72 Ų7221.7 Ų21.760%0.59514%0.135SC*.THydrogen-bonded Turntrans-76.2-20.4173.100000113S2 D42S2-A44 WeakPolarHBondContact CA-O 3.42Å; S2-A44 VanDerWaalsContact CB-O 3.27Å; S2-A44 WeakPolarHBondContact CB-O 3.38Å; D42-A44 PolarHBondContact O-N 3.04Å; D42-A44 VanDerWaalsContact O-N 3.09Å; D42-A44 WeakPolarHBondContact OD1-CB 3.49Å; D42-A44 PolarHBondContact OD1-N 2.92Å
45A98.3Very high98.6Very high37 Ų3721.7 Ų21.731%0.30614%0.135SC..THydrogen-bonded Turntrans-97.7-43.5178.300000112.5S2 K3 D42 P43 T276S2-A45 PolarHBondContact OG-O 2.71Å; K3-A45 PolarHBondContact N-O 2.91Å; D42-A45 HydrophobicContact CB-CB 4.2Å; D42-A45 WeakPolarHBondContact O-CA 3.4Å; D42-A45 WeakPolarHBondContact O-CB 3.44Å; D42-A45 PolarHBondContact O-N 3.49Å; P43-A45 VanDerWaalsContact C-N 3.32Å; A45-T276 HydrophobicContact CB-CG2 4.43Å
46L98.8Very high98.6Very high1 Ų125.3 Ų25.31%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-143.8129.3179.1-172.769.4000111.2S2 K3 I5 I37 V41 D42 Y130 L275 T276S2-L46 WeakPolarHBondContact OG-CA 3.4Å; S2-L46 PolarHBondContact OG-N 3.07Å; S2-L46 VanDerWaalsContact OG-N 3.16Å; K3-L46 HydrophobicContact CB-CD1 3.81Å; K3-L46 WeakPolarHBondContact O-CA 3.39Å; I5-L46 HydrophobicContact CB-CD1 4.25Å; I5-L46 HydrophobicContact CG2-CD1 4.09Å; I5-L46 HydrophobicContact CG2-CD2 3.94Å; I5-L46 HydrophobicContact CG2-CG 4.02Å; I37-L46 HydrophobicContact CG2-CD2 4.11Å; V41-L46 HydrophobicContact CB-CB 4.32Å; V41-L46 HydrophobicContact CG1-CD2 4.18Å; V41-L46 HydrophobicContact CG2-CB 4.27Å; V41-L46 WeakPolarHBondContact CG2-O 3.45Å; D42-L46 PolarHBondContact O-N 3.29Å; L46-Y130 HydrophobicContact CD1-CD2 4Å; L46-Y130 HydrophobicContact CD1-CE2 4.12Å; L46-L275 HydrophobicContact CD2-CB 4.09Å; L46-L275 HydrophobicContact CD2-CD1 4.16Å; L46-T276 HydrophobicContact CB-CG2 4.5Å
47T98.8Very high98.6Very high42 Ų4226.9 Ų26.926%0.25817%0.165SC..EExtended strand (participates in β ladder)trans-104.7140.6170.555.90000110.6S2 K3 I5 P43 H49S2-T47 PolarHBondContact OG-N 3.34Å; K3-T47 PolarHBondContact O-N 3.32Å; K3-T47 PolarHBondContact O-OG1 3.38Å; I5-T47 WeakPolarHBondContact CG2-O 3.42Å; I5-T47 PolarHBondContact N-O 3Å; P43-T47 WeakPolarHBondContact O-CG2 3.34Å; T47-H49 PolarHBondContact OG1-NE2 2.88Å; T47-H49 VanDerWaalsContact OG1-NE2 3.16Å
48V98.9Very high98.5Very high5 Ų530.5 Ų30.53%0.0319%0.191CC..EExtended strand (participates in β ladder)trans-106.7121.5-176.9-175.50000109.8I5 V7 I37 A38 V41 D73I5-V48 HydrophobicContact CG2-CB 4.32Å; I5-V48 HydrophobicContact CG2-CG1 4.39Å; I5-V48 HydrophobicContact CG2-CG2 3.99Å; V7-V48 HydrophobicContact CG2-CG1 4.31Å; I37-V48 HydrophobicContact CB-CG2 4.06Å; I37-V48 HydrophobicContact CG2-CG2 3.55Å; A38-V48 HydrophobicContact CB-CB 4.17Å; A38-V48 HydrophobicContact CB-CG2 3.99Å; V41-V48 HydrophobicContact CG2-CG2 4.48Å; V48-D73 PolarHBondContact O-N 3.45Å
49H98.9Very high98.5Very high16 Ų1633.8 Ų33.87%0.07420%0.203CC..EExtended strand (participates in β ladder)trans-113.8129.3179-61.6-109.4000108.8I5 A6 V7 T47 D73 F128I5-H49 PolarHBondContact O-N 2.87Å; A6-H49 CarbonylContact C-O 3.54Å; A6-H49 WeakPolarHBondContact CA-O 2.95Å; A6-H49 HydrophobicContact CB-CB 4.41Å; V7-H49 PolarHBondContact N-O 3.44Å; T47-H49 PolarHBondContact OG1-NE2 2.88Å; T47-H49 VanDerWaalsContact OG1-NE2 3.16Å; H49-D73 CarbonylContact C-O 3.47Å; H49-D73 WeakPolarHBondContact CA-O 3.4Å; H49-D73 HydrophobicContact CB-CB 4.43Å; H49-D73 VanDerWaalsContact CE1-CG 3.49Å; H49-D73 IonicContact CE1-OD2 3.47Å; H49-D73 PolarHBondContact CE1-OD2 2.86Å; H49-D73 WeakPolarHBondContact ND1-CB 3.26Å; H49-D73 IonicContact ND1-OD1 3.48Å; H49-D73 IonicContact ND1-OD2 3.57Å; H49-F128 HydrophobicContact CB-CE1 3.95Å; H49-F128 HydrophobicContact CB-CZ 4.32Å; H49-F128 AromaticContact CD2-CE1 3.65Å; H49-F128 AromaticContact CG-CE1 3.65Å; H49-F128 AromaticContact CG-CZ 3.86Å; H49-F128 AromaticContact ND1-CZ 3.94Å
50Y99Very high98.5Very high0 Ų031.9 Ų31.90%020%0.196CC..EExtended strand (participates in β ladder)trans-98.8127.1171.4-159.5-118.5000110.3V7 E10 C11 T30 L31 S34 T52 W67 D73 T77V7-Y50 HydrophobicContact CB-CD2 4.07Å; V7-Y50 HydrophobicContact CB-CE2 4.44Å; V7-Y50 HydrophobicContact CG1-CD2 4.32Å; V7-Y50 HydrophobicContact CG1-CE2 4.21Å; V7-Y50 VanDerWaalsContact O-CD2 3.24Å; V7-Y50 WeakPolarHBondContact O-CD2 3.2Å; E10-Y50 VanDerWaalsContact C-OH 3.28Å; E10-Y50 PolarHBondContact N-OH 2.54Å; E10-Y50 PolarHBondContact O-OH 3.14Å; C11-Y50 HydrophobicContact CB-CE1 4.23Å; T30-Y50 PolarHBondContact OG1-OH 3.23Å; L31-Y50 VanDerWaalsContact CA-CE2 3.5Å; L31-Y50 HydrophobicContact CB-CE1 4.05Å; L31-Y50 HydrophobicContact CB-CE2 3.94Å; L31-Y50 HydrophobicContact CD1-CD1 4.14Å; L31-Y50 HydrophobicContact CD1-CD2 4.32Å; L31-Y50 HydrophobicContact CD1-CE1 4.24Å; L31-Y50 HydrophobicContact CD1-CE2 4.44Å; L31-Y50 HydrophobicContact CD1-CG 4.17Å; L31-Y50 PolarHBondContact N-OH 3.33Å; S34-Y50 WeakPolarHBondContact OG-CD2 3.44Å; Y50-T52 HydrophobicContact CD1-CG2 3.8Å; Y50-T52 HydrophobicContact CE1-CG2 3.79Å; Y50-W67 HydrophobicContact CD1-CE3 4.04Å; Y50-W67 AromaticContact CD1-CH2 3.97Å; Y50-W67 HydrophobicContact CD1-CH2 3.97Å; Y50-W67 AromaticContact CD1-CZ3 3.58Å; Y50-W67 HydrophobicContact CD1-CZ3 3.58Å; Y50-W67 HydrophobicContact CE1-CH2 4.03Å; Y50-W67 HydrophobicContact CE1-CZ3 4.13Å; Y50-D73 PolarHBondContact N-O 3.47Å; Y50-T77 PolarHBondContact O-OG1 2.87Å
51V99Very high98.5Very high0 Ų034.1 Ų34.10%021%0.207CC..EExtended strand (participates in β ladder)trans-115107.7-176.4-176.70000108.3A6 V7 I8 G9 L76 W112 L125A6-V51 HydrophobicContact CB-CG2 3.82Å; V7-V51 PolarHBondContact O-N 2.91Å; I8-V51 WeakPolarHBondContact CA-O 3.49Å; I8-V51 HydrophobicContact CG1-CB 3.94Å; I8-V51 HydrophobicContact CG1-CG1 4.34Å; I8-V51 HydrophobicContact CG1-CG2 4.36Å; G9-V51 PolarHBondContact N-O 3.12Å; V51-L76 HydrophobicContact CG2-CB 4.2Å; V51-W112 HydrophobicContact CG1-CE3 4.14Å; V51-W112 HydrophobicContact CG1-CH2 4.32Å; V51-W112 HydrophobicContact CG1-CZ3 4.02Å; V51-L125 HydrophobicContact CG1-CD1 4.03Å; V51-L125 HydrophobicContact CG2-CD1 4.41Å; V51-L125 HydrophobicContact CG2-CD2 3.85Å
52T98.9Very high98.6Very high0 Ų037.1 Ų37.10%022%0.219CC..  trans-151.2-170.6177-164.20000110.3G9 Y50 L54 W67 T77 Q78 A109G9-T52 VanDerWaalsContact O-CB 3.25Å; G9-T52 WeakPolarHBondContact O-CB 3.43Å; G9-T52 PolarHBondContact O-OG1 2.66Å; Y50-T52 HydrophobicContact CD1-CG2 3.8Å; Y50-T52 HydrophobicContact CE1-CG2 3.79Å; T52-L54 HydrophobicContact CG2-CG 4.23Å; T52-W67 HydrophobicContact CG2-CH2 4.12Å; T52-W67 HydrophobicContact CG2-CZ3 4.04Å; T52-T77 HydrophobicContact CG2-CG2 3.66Å; T52-T77 PolarHBondContact N-OG1 3.36Å; T52-T77 VanDerWaalsContact O-CA 3.31Å; T52-T77 WeakPolarHBondContact O-CA 3.38Å; T52-Q78 PolarHBondContact O-N 2.95Å; T52-A109 WeakPolarHBondContact OG1-CB 3.39Å
53A98.9Very high98.6Very high1 Ų132.5 Ų32.51%0.00819%0.194CC..EExtended strand (participates in β ladder)trans-130.8140.1164.700000109.9Q78 M80 A108 A109 W112A53-Q78 WeakPolarHBondContact CA-O 3.43Å; A53-Q78 HydrophobicContact CB-CB 4.04Å; A53-M80 HydrophobicContact CB-CE 3.7Å; A53-M80 HydrophobicContact CB-CG 4.48Å; A53-M80 HydrophobicContact CB-SD 4.07Å; A53-A108 HydrophobicContact CB-CB 4.1Å; A53-A108 WeakPolarHBondContact CB-O 3.45Å; A53-A108 CarbonylContact O-C 3.59Å; A53-A108 WeakPolarHBondContact O-CB 3.47Å; A53-A109 WeakPolarHBondContact O-CA 3.44Å; A53-A109 PolarHBondContact O-N 3.46Å; A53-W112 HydrophobicContact CB-CB 3.86Å
54L98.9Very high98.7Very high1 Ų129.4 Ų29.41%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-127.1171.9177.7-64.1177.7000110.4T52 M63 L64 W67 T77 Q78 R79 M80 P85T52-L54 HydrophobicContact CG2-CG 4.23Å; L54-M63 HydrophobicContact CD1-CB 4.38Å; L54-M63 HydrophobicContact CD2-CE 4.07Å; L54-M63 HydrophobicContact CD2-SD 4.47Å; L54-L64 HydrophobicContact CD1-CD2 3.91Å; L54-L64 HydrophobicContact CD1-CG 4.05Å; L54-W67 HydrophobicContact CD1-CH2 3.74Å; L54-W67 HydrophobicContact CD1-CZ3 3.95Å; L54-W67 HydrophobicContact CD2-CH2 4.3Å; L54-W67 HydrophobicContact CG-CH2 4.37Å; L54-T77 HydrophobicContact CD1-CG2 4.4Å; L54-T77 HydrophobicContact CG-CG2 4.33Å; L54-Q78 PolarHBondContact N-O 3.2Å; L54-R79 CarbonylContact O-C 3.6Å; L54-R79 WeakPolarHBondContact O-CA 3.44Å; L54-M80 PolarHBondContact O-N 2.68Å; L54-P85 HydrophobicContact CD2-CB 4.31Å; L54-P85 HydrophobicContact CD2-CG 4.16Å
55G98.6Very high98.7Very high0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-76.7175.5172.400000112.9D57 S60 R79 M80 R83G55-D57 VanDerWaalsContact C-N 3.26Å; G55-D57 WeakPolarHBondContact CA-OD1 3.48Å; G55-S60 WeakPolarHBondContact CA-OG 3.3Å; G55-S60 PolarHBondContact N-OG 3.37Å; G55-S60 WeakPolarHBondContact O-CB 3.46Å; G55-S60 PolarHBondContact O-OG 3.23Å; G55-R79 WeakPolarHBondContact O-CD 3.37Å; G55-R79 PolarHBondContact O-NE 2.82Å; G55-R79 PolarHBondContact O-NH1 2.88Å; G55-R79 PolarHBondContact O-NH2 3.04Å; G55-M80 WeakPolarHBondContact CA-O 3.28Å; G55-R83 WeakPolarHBondContact CA-O 3.32Å
56T98.7Very high98.7Very high76 Ų7630 Ų3047%0.46617%0.167SC..SBendtrans-85.91.7168.253.20000113.1R79 M80 E81T56-R79 VanDerWaalsContact C-NH2 3.28Å; T56-R79 HydrophobicContact CG2-CB 4.23Å; T56-R79 PolarHBondContact O-NH2 3.43Å; T56-M80 PolarHBondContact N-O 2.88Å; T56-E81 HydrophobicContact CG2-CB 4.34Å
57D98.6Very high98.7Very high34 Ų3430 Ų3018%0.18217%0.166CC..SBendtrans-72.6173.5-177.569.4-80.1000114G55 F59 S60 Q61 R79 L84G55-D57 VanDerWaalsContact C-N 3.26Å; G55-D57 WeakPolarHBondContact CA-OD1 3.48Å; D57-F59 WeakPolarHBondContact OD2-CA 3.14Å; D57-F59 WeakPolarHBondContact OD2-CB 3.16Å; D57-F59 WeakPolarHBondContact OD2-CD2 3.45Å; D57-F59 PolarHBondContact OD2-N 3.29Å; D57-S60 WeakPolarHBondContact O-CB 3.25Å; D57-S60 PolarHBondContact O-N 3.38Å; D57-S60 WeakPolarHBondContact OD1-CB 3.42Å; D57-S60 PolarHBondContact OD1-OG 3.12Å; D57-S60 PolarHBondContact OD2-N 2.98Å; D57-S60 PolarHBondContact OD2-OG 2.79Å; D57-Q61 PolarHBondContact O-N 2.83Å; D57-R79 PolarHBondContact O-NH2 2.84Å; D57-R79 VanDerWaalsContact O-NH2 3.16Å; D57-L84 HydrophobicContact CB-CD2 3.82Å; D57-L84 WeakPolarHBondContact OD1-CD2 3.36Å
58S98.3Very high98.7Very high76 Ų7632.3 Ų32.353%0.53117%0.174SC..Hα-helixtrans-76.5-23.3-177.163.90000114.3Q61 Q62S58-Q61 PolarHBondContact O-N 2.79Å; S58-Q62 VanDerWaalsContact O-CG 3.31Å; S58-Q62 WeakPolarHBondContact O-CG 3.39Å; S58-Q62 PolarHBondContact O-N 2.6Å; S58-Q62 PolarHBondContact O-NE2 3.04Å
59F98.3Very high98.7Very high78 Ų7834.3 Ų34.334%0.34220%0.195SC..Hα-helixtrans-68.8-44.8171.5-57.9-78.2000109.6I13 D57 Q61 Q62 M63I13-F59 HydrophobicContact CD1-CB 3.68Å; I13-F59 HydrophobicContact CD1-CD1 4.26Å; I13-F59 HydrophobicContact CD1-CD2 4.13Å; I13-F59 HydrophobicContact CD1-CG 3.78Å; I13-F59 HydrophobicContact CG1-CB 4.07Å; I13-F59 HydrophobicContact CG1-CG 4.46Å; D57-F59 WeakPolarHBondContact OD2-CA 3.14Å; D57-F59 WeakPolarHBondContact OD2-CB 3.16Å; D57-F59 WeakPolarHBondContact OD2-CD2 3.45Å; D57-F59 PolarHBondContact OD2-N 3.29Å; F59-Q61 VanDerWaalsContact C-N 3.28Å; F59-Q61 PolarHBondContact O-N 2.91Å; F59-Q62 PolarHBondContact O-N 2.98Å; F59-M63 PolarHBondContact O-N 3.32Å
60S98.7Very high98.6Very high0 Ų035 Ų350%020%0.199CC..Hα-helixtrans-56.9-42172.9-62.20000111.5G55 D57 L64 R79 P85G55-S60 WeakPolarHBondContact CA-OG 3.3Å; G55-S60 PolarHBondContact N-OG 3.37Å; G55-S60 WeakPolarHBondContact O-CB 3.46Å; G55-S60 PolarHBondContact O-OG 3.23Å; D57-S60 WeakPolarHBondContact O-CB 3.25Å; D57-S60 PolarHBondContact O-N 3.38Å; D57-S60 WeakPolarHBondContact OD1-CB 3.42Å; D57-S60 PolarHBondContact OD1-OG 3.12Å; D57-S60 PolarHBondContact OD2-N 2.98Å; D57-S60 PolarHBondContact OD2-OG 2.79Å; S60-L64 WeakPolarHBondContact O-CG 3.48Å; S60-L64 PolarHBondContact O-N 3.26Å; S60-R79 PolarHBondContact O-NH1 2.77Å; S60-R79 VanDerWaalsContact O-NH1 3.16Å; S60-P85 WeakPolarHBondContact OG-CD 3.38Å; S60-P85 WeakPolarHBondContact OG-CG 3.49Å
61Q98.7Very high98.6Very high82 Ų8239.6 Ų39.638%0.38322%0.223SC..Hα-helixtrans-64.7-47.1176-17160.94800112.4D57 S58 F59 M63 L64 D65D57-Q61 PolarHBondContact O-N 2.83Å; S58-Q61 PolarHBondContact O-N 2.79Å; F59-Q61 VanDerWaalsContact C-N 3.28Å; F59-Q61 PolarHBondContact O-N 2.91Å; Q61-M63 PolarHBondContact O-N 3.32Å; Q61-L64 PolarHBondContact O-N 3.38Å; Q61-L64 VanDerWaalsContact O-N 3.12Å; Q61-D65 PolarHBondContact NE2-OD1 3.14Å; Q61-D65 VanDerWaalsContact O-CG 3.26Å; Q61-D65 PolarHBondContact O-N 3.03Å
62Q98.5Very high98.6Very high78 Ų7839.7 Ų39.736%0.36422%0.224SC..Hα-helixtrans-58.7-36.2178.1-75.8163.671.300112.8R24 S58 F59 A66R24-Q62 VanDerWaalsContact CZ-OE1 3.3Å; S58-Q62 VanDerWaalsContact O-CG 3.31Å; S58-Q62 WeakPolarHBondContact O-CG 3.39Å; S58-Q62 PolarHBondContact O-N 2.6Å; S58-Q62 PolarHBondContact O-NE2 3.04Å; F59-Q62 PolarHBondContact O-N 2.98Å; Q62-A66 WeakPolarHBondContact O-CB 2.74Å; Q62-A66 PolarHBondContact O-N 2.76Å; Q62-A66 VanDerWaalsContact O-N 3.09Å
63M98.7Very high98.6Very high4 Ų442.8 Ų42.82%0.0224%0.24CC..Hα-helixtrans-63.7-51.2173.6-83-173.5-81.300111.4I13 F26 L54 F59 Q61 D65 A66 W67 P85I13-M63 HydrophobicContact CG1-CE 4Å; F26-M63 HydrophobicContact CB-CG 3.72Å; F26-M63 HydrophobicContact CB-SD 3.81Å; F26-M63 HydrophobicContact CD1-CG 3.96Å; F26-M63 HydrophobicContact CG-CG 3.89Å; L54-M63 HydrophobicContact CD1-CB 4.38Å; L54-M63 HydrophobicContact CD2-CE 4.07Å; L54-M63 HydrophobicContact CD2-SD 4.47Å; F59-M63 PolarHBondContact O-N 3.32Å; Q61-M63 PolarHBondContact O-N 3.32Å; M63-D65 PolarHBondContact O-N 3.42Å; M63-A66 PolarHBondContact O-N 3.41Å; M63-W67 HydrophobicContact CB-CH2 4.29Å; M63-W67 HydrophobicContact CB-CZ2 3.63Å; M63-W67 HydrophobicContact CG-CZ2 4.03Å; M63-W67 PolarHBondContact O-N 3.09Å; M63-W67 PolarHBondContact O-NE1 3.46Å; M63-W67 HydrophobicContact SD-CZ2 3.91Å; M63-P85 HydrophobicContact CE-CB 3.63Å; M63-P85 HydrophobicContact CE-CG 3.3Å
64L98.8Very high98.6Very high15 Ų1543.5 Ų43.58%0.07925%0.245CC..Hα-helixtrans-57-48177.9-67.3179.8000112.2L54 S60 Q61 A66 W67 H68 T74 T77 R79L54-L64 HydrophobicContact CD1-CD2 3.91Å; L54-L64 HydrophobicContact CD1-CG 4.05Å; S60-L64 WeakPolarHBondContact O-CG 3.48Å; S60-L64 PolarHBondContact O-N 3.26Å; Q61-L64 PolarHBondContact O-N 3.38Å; Q61-L64 VanDerWaalsContact O-N 3.12Å; L64-A66 VanDerWaalsContact C-N 3.28Å; L64-A66 PolarHBondContact O-N 2.83Å; L64-W67 HydrophobicContact CD2-CE3 4.05Å; L64-W67 HydrophobicContact CD2-CZ3 4.07Å; L64-W67 PolarHBondContact O-N 3.46Å; L64-W67 VanDerWaalsContact O-N 3.13Å; L64-H68 VanDerWaalsContact O-CG 3.27Å; L64-H68 PolarHBondContact O-N 2.85Å; L64-H68 PolarHBondContact O-ND1 3.14Å; L64-T74 HydrophobicContact CD2-CG2 3.84Å; L64-T77 HydrophobicContact CD2-CG2 4.18Å; L64-R79 VanDerWaalsContact CD1-NH1 3.3Å
65D98.7Very high98.6Very high86 Ų8647.6 Ų47.646%0.4627%0.274SS..Hα-helixtrans-59.5-41.7180-62.4-20.9000111.3Q61 M63 G69Q61-D65 PolarHBondContact NE2-OD1 3.14Å; Q61-D65 VanDerWaalsContact O-CG 3.26Å; Q61-D65 PolarHBondContact O-N 3.03Å; M63-D65 PolarHBondContact O-N 3.42Å; D65-G69 PolarHBondContact O-N 2.94Å; D65-G69 VanDerWaalsContact O-N 3.08Å
66A98.3Very high98.6Very high35 Ų3548.3 Ų48.329%0.28928%0.277SS..Hα-helixtrans-65.6-4017700000112.1F26 Q62 M63 L64 G69 E70F26-A66 HydrophobicContact CE1-CB 3.45Å; F26-A66 VanDerWaalsContact CE1-CB 3.45Å; F26-A66 HydrophobicContact CZ-CB 3.53Å; Q62-A66 WeakPolarHBondContact O-CB 2.74Å; Q62-A66 PolarHBondContact O-N 2.76Å; Q62-A66 VanDerWaalsContact O-N 3.09Å; M63-A66 PolarHBondContact O-N 3.41Å; L64-A66 VanDerWaalsContact C-N 3.28Å; L64-A66 PolarHBondContact O-N 2.83Å; A66-G69 PolarHBondContact O-N 2.95Å; A66-E70 PolarHBondContact O-N 2.95Å
67W98.7Very high98.6Very high0 Ų045.5 Ų45.50%026%0.26CS..Hα-helixtrans-70.6-37179.3-53.1-11.6000111.7C11 F26 L31 Y50 T52 L54 M63 L64 G69 E70 N71 V72 T74C11-W67 HydrophobicContact CB-CH2 3.84Å; C11-W67 HydrophobicContact CB-CZ2 3.5Å; F26-W67 AromaticContact CD2-NE1 3.63Å; F26-W67 AromaticContact CE2-CD1 3.78Å; F26-W67 AromaticContact CE2-NE1 3.43Å; F26-W67 AromaticContact CZ-CD1 3.97Å; F26-W67 AromaticContact CZ-NE1 3.89Å; L31-W67 HydrophobicContact CD1-CD2 3.93Å; L31-W67 HydrophobicContact CD1-CE3 4.49Å; L31-W67 HydrophobicContact CD1-CG 4.04Å; L31-W67 HydrophobicContact CD1-CZ2 4.44Å; L31-W67 HydrophobicContact CD2-CD2 4.25Å; L31-W67 HydrophobicContact CD2-CZ2 3.61Å; Y50-W67 HydrophobicContact CD1-CE3 4.04Å; Y50-W67 AromaticContact CD1-CH2 3.97Å; Y50-W67 HydrophobicContact CD1-CH2 3.97Å; Y50-W67 AromaticContact CD1-CZ3 3.58Å; Y50-W67 HydrophobicContact CD1-CZ3 3.58Å; Y50-W67 HydrophobicContact CE1-CH2 4.03Å; Y50-W67 HydrophobicContact CE1-CZ3 4.13Å; T52-W67 HydrophobicContact CG2-CH2 4.12Å; T52-W67 HydrophobicContact CG2-CZ3 4.04Å; L54-W67 HydrophobicContact CD1-CH2 3.74Å; L54-W67 HydrophobicContact CD1-CZ3 3.95Å; L54-W67 HydrophobicContact CD2-CH2 4.3Å; L54-W67 HydrophobicContact CG-CH2 4.37Å; M63-W67 HydrophobicContact CB-CH2 4.29Å; M63-W67 HydrophobicContact CB-CZ2 3.63Å; M63-W67 HydrophobicContact CG-CZ2 4.03Å; M63-W67 PolarHBondContact O-N 3.09Å; M63-W67 PolarHBondContact O-NE1 3.46Å; M63-W67 HydrophobicContact SD-CZ2 3.91Å; L64-W67 HydrophobicContact CD2-CE3 4.05Å; L64-W67 HydrophobicContact CD2-CZ3 4.07Å; L64-W67 PolarHBondContact O-N 3.46Å; L64-W67 VanDerWaalsContact O-N 3.13Å; W67-G69 VanDerWaalsContact C-N 3.27Å; W67-G69 PolarHBondContact O-N 3.45Å; W67-E70 CarbonylContact O-C 3.57Å; W67-E70 WeakPolarHBondContact O-CA 3.36Å; W67-E70 PolarHBondContact O-N 3.34Å; W67-N71 PolarHBondContact O-N 3.04Å; W67-V72 HydrophobicContact CB-CB 4.2Å; W67-V72 WeakPolarHBondContact O-CB 3.31Å; W67-V72 PolarHBondContact O-N 3.39Å; W67-T74 HydrophobicContact CB-CG2 4.32Å; W67-T74 HydrophobicContact CE3-CG2 3.86Å
68H98.7Very high98.6Very high92 Ų9244.5 Ų44.543%0.42625%0.254SS..Hα-helixtrans-61.1-38.1171.2-65.3157.9000111.7L64 E70 N71 T74L64-H68 VanDerWaalsContact O-CG 3.27Å; L64-H68 PolarHBondContact O-N 2.85Å; L64-H68 PolarHBondContact O-ND1 3.14Å; H68-E70 PolarHBondContact O-N 2.85Å; H68-N71 PolarHBondContact O-N 2.91Å; H68-T74 PolarHBondContact NE2-OG1 3.31Å
69G98.3Very high98.7Very high46 Ų4644.8 Ų44.847%0.47424%0.244SC..Hα-helixtrans-61.4-24.617200000114.1D65 A66 W67 R304D65-G69 PolarHBondContact O-N 2.94Å; D65-G69 VanDerWaalsContact O-N 3.08Å; A66-G69 PolarHBondContact O-N 2.95Å; W67-G69 VanDerWaalsContact C-N 3.27Å; W67-G69 PolarHBondContact O-N 3.45Å; G69-R304 PolarHBondContact O-NH1 3.4Å
70E98.4Very high98.7Very high32 Ų3242.4 Ų42.415%0.1523%0.234CC..THydrogen-bonded Turntrans-94.311.3175-62.9-65.1177.200113.3V35 A38 R39 A66 W67 H68 V72 R304V35-E70 HydrophobicContact CG1-CB 4.15Å; V35-E70 HydrophobicContact CG1-CG 3.88Å; V35-E70 HydrophobicContact CG2-CB 4.21Å; V35-E70 HydrophobicContact CG2-CG 4.25Å; A38-E70 VanDerWaalsContact CB-O 3.24Å; A38-E70 WeakPolarHBondContact CB-O 3.42Å; R39-E70 IonicContact CZ-OE1 2.72Å; R39-E70 IonicContact CZ-OE2 2.94Å; R39-E70 IonicContact NE-OE1 2.65Å; R39-E70 PolarHBondContact NE-OE1 3.47Å; R39-E70 IonicContact NE-OE2 3.42Å; R39-E70 PolarHBondContact NE-OE2 3.48Å; R39-E70 IonicContact NH2-OE1 3.28Å; R39-E70 PolarHBondContact NH2-OE1 3.24Å; R39-E70 IonicContact NH2-OE2 3.39Å; A66-E70 PolarHBondContact O-N 2.95Å; W67-E70 CarbonylContact O-C 3.57Å; W67-E70 WeakPolarHBondContact O-CA 3.36Å; W67-E70 PolarHBondContact O-N 3.34Å; H68-E70 PolarHBondContact O-N 2.85Å; E70-V72 HydrophobicContact CB-CG2 4.29Å; E70-V72 PolarHBondContact O-N 3.03Å; E70-R304 IonicContact OE2-NH1 3.97Å
71N98.5Very high98.6Very high96 Ų9649.9 Ų49.951%0.51327%0.269SS..THydrogen-bonded Turntrans60.728.8-178.4-57.3102.4000113.9W67 H68 R304W67-N71 PolarHBondContact O-N 3.04Å; H68-N71 PolarHBondContact O-N 2.91Å; N71-R304 PolarHBondContact OD1-NH2 2.83Å; N71-R304 VanDerWaalsContact OD1-NH2 3.16Å
72V98.9Very high98.6Very high2 Ų253.3 Ų53.31%0.01229%0.29CS..EExtended strand (participates in β ladder)trans-93.3119.1172.7178.70000109V35 A38 W67 E70V35-V72 HydrophobicContact CG2-CG2 4.31Å; A38-V72 HydrophobicContact CB-CG2 3.92Å; W67-V72 HydrophobicContact CB-CB 4.2Å; W67-V72 WeakPolarHBondContact O-CB 3.31Å; W67-V72 PolarHBondContact O-N 3.39Å; E70-V72 HydrophobicContact CB-CG2 4.29Å; E70-V72 PolarHBondContact O-N 3.03Å
73D98.9Very high98.6Very high64 Ų6453.6 Ų53.634%0.34229%0.288SS..EExtended strand (participates in β ladder)trans-71.7136.9175.8-168.5-49.8000110.1V48 H49 Y50 S75V48-D73 PolarHBondContact O-N 3.45Å; H49-D73 CarbonylContact C-O 3.47Å; H49-D73 WeakPolarHBondContact CA-O 3.4Å; H49-D73 HydrophobicContact CB-CB 4.43Å; H49-D73 VanDerWaalsContact CE1-CG 3.49Å; H49-D73 IonicContact CE1-OD2 3.47Å; H49-D73 PolarHBondContact CE1-OD2 2.86Å; H49-D73 WeakPolarHBondContact ND1-CB 3.26Å; H49-D73 IonicContact ND1-OD1 3.48Å; H49-D73 IonicContact ND1-OD2 3.57Å; Y50-D73 PolarHBondContact N-O 3.47Å; D73-S75 WeakPolarHBondContact OD1-CB 3.37Å; D73-S75 PolarHBondContact OD1-N 3.1Å; D73-S75 PolarHBondContact OD1-OG 3.2Å
74T98.9Very high98.5Very high16 Ų1658.3 Ų58.310%0.09831%0.312CS..  trans-125.818.5-178.474.50000112.5L64 W67 H68 L76 T77L64-T74 HydrophobicContact CD2-CG2 3.84Å; W67-T74 HydrophobicContact CB-CG2 4.32Å; W67-T74 HydrophobicContact CE3-CG2 3.86Å; H68-T74 PolarHBondContact NE2-OG1 3.31Å; T74-L76 PolarHBondContact O-N 2.93Å; T74-T77 WeakPolarHBondContact O-CB 3.49Å; T74-T77 PolarHBondContact O-N 2.99Å
75S98.7Very high98.5Very high88 Ų8858.1 Ų58.162%0.61531%0.312SS*.THydrogen-bonded Turntrans-60.9-29.4-177.155.10000113.2D73D73-S75 WeakPolarHBondContact OD1-CB 3.37Å; D73-S75 PolarHBondContact OD1-N 3.1Å; D73-S75 PolarHBondContact OD1-OG 3.2Å
76L98.8Very high98.5Very high15 Ų1554 Ų548%0.07929%0.291CS..THydrogen-bonded Turntrans-93.72.3175.6-60.8179.4000113.5V51 T74 I121 E124 L125 F128V51-L76 HydrophobicContact CG2-CB 4.2Å; T74-L76 PolarHBondContact O-N 2.93Å; L76-I121 HydrophobicContact CB-CG2 4.34Å; L76-I121 HydrophobicContact CD2-CG1 4.42Å; L76-I121 HydrophobicContact CD2-CG2 4.47Å; L76-E124 HydrophobicContact CD1-CB 4.39Å; L76-E124 HydrophobicContact CD2-CB 4.09Å; L76-E124 HydrophobicContact CD2-CG 4.2Å; L76-L125 HydrophobicContact CD1-CD2 3.64Å; L76-L125 HydrophobicContact CD1-CG 4.1Å; L76-F128 HydrophobicContact CD1-CE2 3.85Å; L76-F128 HydrophobicContact CD1-CZ 3.81Å
77T98.9Very high98.5Very high16 Ų1654.5 Ų54.510%0.09829%0.288CS..  trans-83.1126.6172.9-77.20000110.5Y50 T52 L54 L64 T74Y50-T77 PolarHBondContact O-OG1 2.87Å; T52-T77 HydrophobicContact CG2-CG2 3.66Å; T52-T77 PolarHBondContact N-OG1 3.36Å; T52-T77 VanDerWaalsContact O-CA 3.31Å; T52-T77 WeakPolarHBondContact O-CA 3.38Å; L54-T77 HydrophobicContact CD1-CG2 4.4Å; L54-T77 HydrophobicContact CG-CG2 4.33Å; L64-T77 HydrophobicContact CD2-CG2 4.18Å; T74-T77 WeakPolarHBondContact O-CB 3.49Å; T74-T77 PolarHBondContact O-N 2.99Å
78Q98.8Very high98.5Very high14 Ų1455.3 Ų55.37%0.06529%0.291CS..EExtended strand (participates in β ladder)trans-84150.9-177.6-66.5170.665.900112.4T52 A53 L54 W112 S115 I121T52-Q78 PolarHBondContact O-N 2.95Å; A53-Q78 WeakPolarHBondContact CA-O 3.43Å; A53-Q78 HydrophobicContact CB-CB 4.04Å; L54-Q78 PolarHBondContact N-O 3.2Å; Q78-W112 PolarHBondContact NE2-O 3.05Å; Q78-S115 VanDerWaalsContact OE1-CB 3.29Å; Q78-S115 PolarHBondContact OE1-OG 3.39Å; Q78-I121 VanDerWaalsContact CD-CD1 3.49Å; Q78-I121 HydrophobicContact CG-CD1 3.39Å; Q78-I121 VanDerWaalsContact NE2-CD1 3.35Å
79R98.7Very high98.3Very high81 Ų8153.1 Ų53.131%0.30628%0.279SS..EExtended strand (participates in β ladder)trans-113.8118.1171.8-62.4-72.9-76.2-166.47.7108.9L54 G55 T56 D57 S60 L64L54-R79 CarbonylContact O-C 3.6Å; L54-R79 WeakPolarHBondContact O-CA 3.44Å; G55-R79 WeakPolarHBondContact O-CD 3.37Å; G55-R79 PolarHBondContact O-NE 2.82Å; G55-R79 PolarHBondContact O-NH1 2.88Å; G55-R79 PolarHBondContact O-NH2 3.04Å; T56-R79 VanDerWaalsContact C-NH2 3.28Å; T56-R79 HydrophobicContact CG2-CB 4.23Å; T56-R79 PolarHBondContact O-NH2 3.43Å; D57-R79 PolarHBondContact O-NH2 2.84Å; D57-R79 VanDerWaalsContact O-NH2 3.16Å; S60-R79 PolarHBondContact O-NH1 2.77Å; S60-R79 VanDerWaalsContact O-NH1 3.16Å; L64-R79 VanDerWaalsContact CD1-NH1 3.3Å
80M98.6Very high98.1Very high29 Ų2951.6 Ų51.614%0.14326%0.26CS..EExtended strand (participates in β ladder)trans-111.6118.8-175.8-64.1-175.3173.900110.5A53 L54 G55 T56 N82 R83 A108 F111A53-M80 HydrophobicContact CB-CE 3.7Å; A53-M80 HydrophobicContact CB-CG 4.48Å; A53-M80 HydrophobicContact CB-SD 4.07Å; L54-M80 PolarHBondContact O-N 2.68Å; G55-M80 WeakPolarHBondContact CA-O 3.28Å; T56-M80 PolarHBondContact N-O 2.88Å; M80-N82 PolarHBondContact O-N 2.79Å; M80-R83 HydrophobicContact CB-CB 3.94Å; M80-R83 HydrophobicContact CB-CG 4.01Å; M80-R83 PolarHBondContact O-N 3.48Å; M80-R83 HydrophobicContact SD-CG 4.19Å; M80-A108 HydrophobicContact SD-CB 4.11Å; M80-F111 HydrophobicContact CE-CB 4.11Å; M80-F111 WeakPolarHBondContact CE-O 3.33Å; M80-F111 HydrophobicContact SD-CB 4.21Å
81E97.7Very high97.7Very high157 Ų15753.8 Ų53.873%0.73427%0.27SS*.THydrogen-bonded Turntrans-62.6-37.7-170.8-170.8172.2-155.900114.1T56T56-E81 HydrophobicContact CG2-CB 4.34Å
82N97.3Very high97.1Very high153 Ų15350.7 Ų50.782%0.81826%0.255SS*.THydrogen-bonded Turntrans-103.328.4-175.7-63.6-55.3000113.2M80M80-N82 PolarHBondContact O-N 2.79Å
83R98.4Very high96.5Very high84 Ų8453.7 Ų53.732%0.31727%0.271SS..  trans-135.6159.6179.9-64-69.7-171.7178.9-1.2110.9G55 M80 E106 A108 F111G55-R83 WeakPolarHBondContact CA-O 3.32Å; M80-R83 HydrophobicContact CB-CB 3.94Å; M80-R83 HydrophobicContact CB-CG 4.01Å; M80-R83 PolarHBondContact O-N 3.48Å; M80-R83 HydrophobicContact SD-CG 4.19Å; R83-E106 PolarHBondContact NH1-O 3.27Å; R83-A108 HydrophobicContact CB-CB 3.69Å; R83-A108 HydrophobicContact CG-CB 4.4Å; R83-F111 VanDerWaalsContact NH2-CZ 3.31Å
84L98.6Very high95.7Very high103 Ų10356.8 Ų56.854%0.53930%0.298SS..  trans-121.8162.8172.1-70.8174.4000109.9D57 A107 A108D57-L84 HydrophobicContact CB-CD2 3.82Å; D57-L84 WeakPolarHBondContact OD1-CD2 3.36Å; L84-A107 WeakPolarHBondContact O-CA 3.45Å; L84-A108 PolarHBondContact O-N 3.26Å
85P98.7Very high94.9Very high11 Ų1161.2 Ų61.27%0.07133%0.325CS..  trans-58.7153.4163.4-19.532.5000111I13 L54 S60 M63I13-P85 HydrophobicContact CD1-CB 4.02Å; I13-P85 HydrophobicContact CD1-CG 4.06Å; I13-P85 HydrophobicContact CG1-CB 3.99Å; I13-P85 HydrophobicContact CG1-CG 4.27Å; L54-P85 HydrophobicContact CD2-CB 4.31Å; L54-P85 HydrophobicContact CD2-CG 4.16Å; S60-P85 WeakPolarHBondContact OG-CD 3.38Å; S60-P85 WeakPolarHBondContact OG-CG 3.49Å; M63-P85 HydrophobicContact CE-CB 3.63Å; M63-P85 HydrophobicContact CE-CG 3.3Å
86G98.4Very high94Very high1 Ų159.3 Ų59.31%0.0132%0.319CS..  trans-62.2156.416300000110.4M12 I13 A107M12-G86 CarbonylContact C-O 3.37Å; M12-G86 WeakPolarHBondContact CA-O 3.49Å; M12-G86 VanDerWaalsContact CB-O 3.26Å; M12-G86 WeakPolarHBondContact CB-O 3.42Å; I13-G86 PolarHBondContact N-O 2.82Å; G86-A107 VanDerWaalsContact N-CB 3.3Å
87L98.4Very high93.3Very high44 Ų4464.8 Ų64.823%0.2334%0.344CS..EExtended strand (participates in β ladder)trans-128.2143177.6-177.1150.8000110.1I13 L15 W103I13-L87 HydrophobicContact CB-CB 4.29Å; I13-L87 HydrophobicContact CB-CD1 4.25Å; I13-L87 HydrophobicContact CB-CG 4.2Å; I13-L87 HydrophobicContact CG2-CD1 3.95Å; I13-L87 HydrophobicContact CG2-CG 4.23Å; I13-L87 WeakPolarHBondContact O-CA 3.11Å; L15-L87 HydrophobicContact CD1-CD1 4.1Å; L15-L87 HydrophobicContact CD1-CD2 4.23Å; L87-W103 HydrophobicContact CB-CB 4.48Å; L87-W103 HydrophobicContact CD2-CD2 4.42Å; L87-W103 HydrophobicContact CD2-CE3 3.5Å; L87-W103 HydrophobicContact CD2-CZ3 3.94Å; L87-W103 PolarHBondContact N-O 2.95Å; L87-W103 CarbonylContact O-C 3.56Å; L87-W103 PolarHBondContact O-N 2.84Å
88Y97.1Very high92.8Very high17 Ų1767.6 Ų67.67%0.06735%0.353CS..EExtended strand (participates in β ladder)trans-132.3154.1164.570.6-82.4000112.3M12 I13 E14 L15 I90 F100 Y101 Y102M12-Y88 HydrophobicContact CB-CD1 3.61Å; M12-Y88 HydrophobicContact CB-CE1 3.9Å; M12-Y88 HydrophobicContact CE-CD1 3.68Å; M12-Y88 HydrophobicContact CE-CE1 4.02Å; M12-Y88 HydrophobicContact CE-CG 4.48Å; M12-Y88 HydrophobicContact CG-CD1 4.42Å; M12-Y88 HydrophobicContact SD-CD1 4.01Å; I13-Y88 WeakPolarHBondContact O-CD1 3.28Å; I13-Y88 PolarHBondContact O-N 3.15Å; E14-Y88 HydrophobicContact CB-CE1 3.8Å; E14-Y88 HydrophobicContact CB-CE2 4.04Å; E14-Y88 VanDerWaalsContact CB-CZ 3.5Å; E14-Y88 WeakPolarHBondContact CB-OH 3.43Å; E14-Y88 VanDerWaalsContact CD-OH 3.29Å; E14-Y88 HydrophobicContact CG-CD2 4.36Å; E14-Y88 HydrophobicContact CG-CE1 4.23Å; E14-Y88 HydrophobicContact CG-CE2 3.51Å; E14-Y88 VanDerWaalsContact CG-CZ 3.45Å; E14-Y88 WeakPolarHBondContact CG-OH 3.46Å; E14-Y88 WeakPolarHBondContact OE2-CE2 3.4Å; E14-Y88 VanDerWaalsContact OE2-CZ 3.29Å; E14-Y88 PolarHBondContact OE2-OH 2.92Å; L15-Y88 PolarHBondContact N-O 3.42Å; Y88-I90 HydrophobicContact CD2-CD1 4.29Å; Y88-I90 HydrophobicContact CD2-CG1 3.78Å; Y88-I90 HydrophobicContact CE2-CD1 3.62Å; Y88-I90 HydrophobicContact CE2-CG1 3.65Å; Y88-F100 HydrophobicContact CD2-CD1 4.3Å; Y88-Y101 CarbonylContact C-O 3.58Å; Y88-Y101 WeakPolarHBondContact CA-O 3.32Å; Y88-Y101 VanDerWaalsContact CB-O 3.28Å; Y88-Y101 WeakPolarHBondContact CB-O 3.27Å; Y88-Y102 VanDerWaalsContact CB-CD1 3.46Å; Y88-Y102 HydrophobicContact CG-CD1 4.4Å; Y88-Y102 HydrophobicContact CG-CE1 4.15Å
89Y96.2Very high92.4Very high47 Ų4769.8 Ų69.818%0.18437%0.367CS..EExtended strand (participates in β ladder)trans-121.5128.4178.7-161.5-80.1000109.3L15 E17 V22 F100 Y101L15-Y89 HydrophobicContact CB-CD2 3.38Å; L15-Y89 HydrophobicContact CB-CE2 3.76Å; L15-Y89 HydrophobicContact CB-CG 4.13Å; L15-Y89 HydrophobicContact CD1-CD2 3.7Å; L15-Y89 HydrophobicContact CD1-CE2 4.06Å; L15-Y89 HydrophobicContact CG-CD2 4.18Å; L15-Y89 CarbonylContact O-C 3.45Å; L15-Y89 WeakPolarHBondContact O-CA 3.49Å; E17-Y89 HydrophobicContact CB-CE1 3.68Å; E17-Y89 WeakPolarHBondContact CB-OH 3.32Å; E17-Y89 VanDerWaalsContact CD-OH 3.29Å; E17-Y89 WeakPolarHBondContact OE2-CE1 3.36Å; E17-Y89 PolarHBondContact OE2-OH 3.42Å; V22-Y89 HydrophobicContact CG1-CE2 4.33Å; V22-Y89 WeakPolarHBondContact CG2-OH 3.13Å; Y89-F100 WeakPolarHBondContact O-CA 3.26Å; Y89-Y101 HydrophobicContact CD1-CD2 4.49Å; Y89-Y101 PolarHBondContact N-O 3.08Å; Y89-Y101 PolarHBondContact O-N 2.92Å
90I92.7Very high92.1Very high14 Ų1469 Ų697%0.07237%0.366CS..EExtended strand (participates in β ladder)trans-106.2116174.6-49.8168.7000108.4E14 L15 E17 Y88 R98 T99 F100E14-I90 HydrophobicContact CG-CD1 4.22Å; L15-I90 PolarHBondContact O-N 3.36Å; E17-I90 PolarHBondContact N-O 2.96Å; Y88-I90 HydrophobicContact CD2-CD1 4.29Å; Y88-I90 HydrophobicContact CD2-CG1 3.78Å; Y88-I90 HydrophobicContact CE2-CD1 3.62Å; Y88-I90 HydrophobicContact CE2-CG1 3.65Å; I90-R98 HydrophobicContact CG2-CB 4.17Å; I90-R98 HydrophobicContact CG2-CG 4.33Å; I90-T99 WeakPolarHBondContact CA-O 3.37Å; I90-F100 HydrophobicContact CD1-CE1 3.92Å; I90-F100 HydrophobicContact CG1-CD1 3.82Å; I90-F100 HydrophobicContact CG1-CE1 3.66Å; I90-F100 HydrophobicContact CG1-CZ 4.5Å; I90-F100 HydrophobicContact CG2-CE1 4.34Å; I90-F100 HydrophobicContact CG2-CZ 4.42Å
91E90.9Very high92Very high78 Ų7872.6 Ų72.636%0.36438%0.379SS..EExtended strand (participates in β ladder)trans-96.1124167.7-174.9179.1-17500108.3R98 T99 Y101E91-R98 WeakPolarHBondContact O-CA 3.31Å; E91-T99 PolarHBondContact N-O 2.76Å; E91-T99 PolarHBondContact O-N 2.94Å; E91-Y101 HydrophobicContact CB-CE2 4.14Å; E91-Y101 PolarHBondContact OE2-OH 3.02Å
92T86.7Confident92Very high31 Ų3170.1 Ų70.119%0.1936%0.364CS..EExtended strand (participates in β ladder)trans-106.6117.5173.4-47.90000109.1E97 R98T92-E97 WeakPolarHBondContact CA-O 3.42Å; T92-R98 HydrophobicContact CG2-CG 4.31Å
93D84.9Confident92Very high64 Ų6470.8 Ų70.834%0.34236%0.355SS..  trans-76.6178.8-179.185.9-7.4000112.5T95 G96 E97D93-T95 PolarHBondContact O-N 3.09Å; D93-T95 VanDerWaalsContact OD1-CA 3.3Å; D93-T95 WeakPolarHBondContact OD1-CA 3.42Å; D93-T95 WeakPolarHBondContact OD1-CB 3.37Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 PolarHBondContact OD1-OG1 3.2Å; D93-T95 PolarHBondContact OD2-OG1 3.05Å; D93-T95 VanDerWaalsContact OD2-OG1 3.07Å; D93-G96 PolarHBondContact O-N 3.24Å; D93-G96 VanDerWaalsContact O-N 3.16Å; D93-G96 PolarHBondContact OD1-N 3.41Å; D93-E97 PolarHBondContact N-O 3.07Å; D93-E97 PolarHBondContact OD1-N 3.09Å
94S83.4Confident92Very high130 Ų13068 Ų6891%0.90934%0.344SS*.THydrogen-bonded Turntrans-66-16.4179.464.50000114.9
95T81.7Confident91.8Very high109 Ų10969.1 Ų69.167%0.66935%0.351SS*.THydrogen-bonded Turntrans-93-10.3177.4770000112.6D93D93-T95 PolarHBondContact O-N 3.09Å; D93-T95 VanDerWaalsContact OD1-CA 3.3Å; D93-T95 WeakPolarHBondContact OD1-CA 3.42Å; D93-T95 WeakPolarHBondContact OD1-CB 3.37Å; D93-T95 PolarHBondContact OD1-N 2.87Å; D93-T95 PolarHBondContact OD1-OG1 3.2Å; D93-T95 PolarHBondContact OD2-OG1 3.05Å; D93-T95 VanDerWaalsContact OD2-OG1 3.07Å
96G80.2Confident91.8Very high47 Ų4775.5 Ų75.549%0.48538%0.38SS..SBendtrans90.62.9-173.800000113.4D93D93-G96 PolarHBondContact O-N 3.24Å; D93-G96 VanDerWaalsContact O-N 3.16Å; D93-G96 PolarHBondContact OD1-N 3.41Å
97E83.9Confident91.8Very high130 Ų13075.6 Ų75.661%0.60738%0.38SS*.  trans-67.9140.6172.8-168.4173.717400109.8T92 D93T92-E97 WeakPolarHBondContact CA-O 3.42Å; D93-E97 PolarHBondContact N-O 3.07Å; D93-E97 PolarHBondContact OD1-N 3.09Å
98R87.3Confident91.8Very high75 Ų7573.5 Ų73.528%0.28337%0.369SS..EExtended strand (participates in β ladder)trans-116.1125.5-173.7-63.7-177.9-63.8-177.3-0.7110.8I90 E91 T92 F100 D258 T260I90-R98 HydrophobicContact CG2-CB 4.17Å; I90-R98 HydrophobicContact CG2-CG 4.33Å; E91-R98 WeakPolarHBondContact O-CA 3.31Å; T92-R98 HydrophobicContact CG2-CG 4.31Å; R98-F100 HydrophobicContact CB-CE2 3.84Å; R98-F100 HydrophobicContact CB-CZ 4.35Å; R98-D258 IonicContact CZ-OD1 2.95Å; R98-D258 VanDerWaalsContact NH1-CG 3.29Å; R98-D258 IonicContact NH1-OD1 3.69Å; R98-D258 PolarHBondContact NH1-OD1 2.89Å; R98-D258 IonicContact NH1-OD2 2.66Å; R98-D258 PolarHBondContact NH1-OD2 2.84Å; R98-D258 IonicContact NH2-OD1 2.93Å; R98-D258 PolarHBondContact NH2-OD1 3.46Å; R98-T260 PolarHBondContact NH1-OG1 2.99Å; R98-T260 PolarHBondContact NH2-OG1 3.28Å
99T90.7Very high91.9Very high61 Ų6172.9 Ų72.937%0.37437%0.367SS..EExtended strand (participates in β ladder)trans-107.3134.5172.5-57.40000109.7I90 E91 Y101I90-T99 WeakPolarHBondContact CA-O 3.37Å; E91-T99 PolarHBondContact N-O 2.76Å; E91-T99 PolarHBondContact O-N 2.94Å; T99-Y101 HydrophobicContact CG2-CD2 4.49Å; T99-Y101 HydrophobicContact CG2-CE1 4.24Å; T99-Y101 HydrophobicContact CG2-CE2 3.78Å
100F93.3Very high92Very high64 Ų6472.5 Ų72.528%0.28137%0.367SS..EExtended strand (participates in β ladder)trans-113.4128.9-177.7-64.7-101.5000111Y88 Y89 I90 R98 Y102Y88-F100 HydrophobicContact CD2-CD1 4.3Å; Y89-F100 WeakPolarHBondContact O-CA 3.26Å; I90-F100 HydrophobicContact CD1-CE1 3.92Å; I90-F100 HydrophobicContact CG1-CD1 3.82Å; I90-F100 HydrophobicContact CG1-CE1 3.66Å; I90-F100 HydrophobicContact CG1-CZ 4.5Å; I90-F100 HydrophobicContact CG2-CE1 4.34Å; I90-F100 HydrophobicContact CG2-CZ 4.42Å; R98-F100 HydrophobicContact CB-CE2 3.84Å; R98-F100 HydrophobicContact CB-CZ 4.35Å; F100-Y102 HydrophobicContact CB-CD2 4.47Å; F100-Y102 HydrophobicContact CB-CE2 3.55Å; F100-Y102 WeakPolarHBondContact CB-OH 3.47Å
101Y96.1Very high92.3Very high104 Ų10473.8 Ų73.841%0.40837%0.372SS..EExtended strand (participates in β ladder)trans-116.6140.7173.3-53-89.4000109.7Y88 Y89 E91 T99Y88-Y101 CarbonylContact C-O 3.58Å; Y88-Y101 WeakPolarHBondContact CA-O 3.32Å; Y88-Y101 VanDerWaalsContact CB-O 3.28Å; Y88-Y101 WeakPolarHBondContact CB-O 3.27Å; Y89-Y101 HydrophobicContact CD1-CD2 4.49Å; Y89-Y101 PolarHBondContact N-O 3.08Å; Y89-Y101 PolarHBondContact O-N 2.92Å; E91-Y101 HydrophobicContact CB-CE2 4.14Å; E91-Y101 PolarHBondContact OE2-OH 3.02Å; T99-Y101 HydrophobicContact CG2-CD2 4.49Å; T99-Y101 HydrophobicContact CG2-CE1 4.24Å; T99-Y101 HydrophobicContact CG2-CE2 3.78Å
102Y97Very high92.7Very high105 Ų10570.2 Ų70.241%0.41236%0.355SS..EExtended strand (participates in β ladder)trans-129.9131.6-172.7-61.7-87.4000112.3M12 Y88 F100M12-Y102 HydrophobicContact CE-CD1 4.48Å; M12-Y102 HydrophobicContact CE-CE1 4.26Å; M12-Y102 HydrophobicContact SD-CD1 4.21Å; Y88-Y102 VanDerWaalsContact CB-CD1 3.46Å; Y88-Y102 HydrophobicContact CG-CD1 4.4Å; Y88-Y102 HydrophobicContact CG-CE1 4.15Å; F100-Y102 HydrophobicContact CB-CD2 4.47Å; F100-Y102 HydrophobicContact CB-CE2 3.55Å; F100-Y102 WeakPolarHBondContact CB-OH 3.47Å
103W98.1Very high93.2Very high167 Ų16768.8 Ų68.863%0.63335%0.346SS*.EExtended strand (participates in β ladder)trans-120.774.3166.7-65.6-94.6000108.7L87L87-W103 HydrophobicContact CB-CB 4.48Å; L87-W103 HydrophobicContact CD2-CD2 4.42Å; L87-W103 HydrophobicContact CD2-CE3 3.5Å; L87-W103 HydrophobicContact CD2-CZ3 3.94Å; L87-W103 PolarHBondContact N-O 2.95Å; L87-W103 CarbonylContact O-C 3.56Å; L87-W103 PolarHBondContact O-N 2.84Å
104R97Very high93.9Very high26 Ų2670.1 Ų70.110%0.09835%0.351CS..  trans-124-1.2-173.371.5-170.2-65.8-178.6-3.2115.1E10 M12 E106 A107 K110 I136E10-R104 IonicContact OE1-NE 3.48Å; E10-R104 IonicContact OE2-CZ 3.39Å; E10-R104 VanDerWaalsContact OE2-CZ 3.28Å; E10-R104 IonicContact OE2-NE 2.69Å; E10-R104 PolarHBondContact OE2-NE 2.66Å; E10-R104 VanDerWaalsContact OE2-NE 3.14Å; E10-R104 IonicContact OE2-NH2 2.63Å; E10-R104 PolarHBondContact OE2-NH2 2.69Å; M12-R104 HydrophobicContact SD-CB 4.05Å; M12-R104 VanDerWaalsContact SD-CZ 3.55Å; R104-E106 PolarHBondContact O-N 3.26Å; R104-E106 VanDerWaalsContact O-N 3.13Å; R104-A107 VanDerWaalsContact O-CB 3.31Å; R104-A107 WeakPolarHBondContact O-CB 3.22Å; R104-A107 PolarHBondContact O-N 2.93Å; R104-K110 WeakPolarHBondContact O-CD 3.5Å; R104-I136 VanDerWaalsContact NH2-CG2 3.35Å
105N95.7Very high94.6Very high126 Ų12665.4 Ų65.467%0.67432%0.318SS*.THydrogen-bonded Turntrans-70.8-12.7-170.5-159.441.8000114.2K110N105-K110 WeakPolarHBondContact O-CD 3.42Å; N105-K110 WeakPolarHBondContact O-CE 3.31Å
106E97.7Very high95.3Very high146 Ų14668.8 Ų68.868%0.68233%0.326SS*.THydrogen-bonded Turntrans-119.613.2176.4-62.2-173.8173.100112.9R83 R104R83-E106 PolarHBondContact NH1-O 3.27Å; R104-E106 PolarHBondContact O-N 3.26Å; R104-E106 VanDerWaalsContact O-N 3.13Å
107A98.6Very high96.2Very high3 Ų371.5 Ų71.53%0.02533%0.326CS..  trans-56138.3-179.600000111.5E10 L84 G86 R104 A109 K110 F111E10-A107 WeakPolarHBondContact OE1-CB 3.16Å; L84-A107 WeakPolarHBondContact O-CA 3.45Å; G86-A107 VanDerWaalsContact N-CB 3.3Å; R104-A107 VanDerWaalsContact O-CB 3.31Å; R104-A107 WeakPolarHBondContact O-CB 3.22Å; R104-A107 PolarHBondContact O-N 2.93Å; A107-A109 PolarHBondContact O-N 3.3Å; A107-A109 VanDerWaalsContact O-N 3.13Å; A107-K110 WeakPolarHBondContact O-CB 3.38Å; A107-K110 PolarHBondContact O-N 3.16Å; A107-F111 VanDerWaalsContact O-CD2 3.32Å; A107-F111 WeakPolarHBondContact O-CD2 3.29Å; A107-F111 WeakPolarHBondContact O-CE2 3.16Å
108A98.8Very high96.9Very high0 Ų065.6 Ų65.60%030%0.299CS..G310 helixtrans-49.5-40.4176.200000112.1A53 M80 R83 L84 K110 F111A53-A108 HydrophobicContact CB-CB 4.1Å; A53-A108 WeakPolarHBondContact CB-O 3.45Å; A53-A108 CarbonylContact O-C 3.59Å; A53-A108 WeakPolarHBondContact O-CB 3.47Å; M80-A108 HydrophobicContact SD-CB 4.11Å; R83-A108 HydrophobicContact CB-CB 3.69Å; R83-A108 HydrophobicContact CG-CB 4.4Å; L84-A108 PolarHBondContact O-N 3.26Å; A108-K110 PolarHBondContact O-N 3.28Å; A108-F111 PolarHBondContact O-N 3Å
109A98.8Very high97.4Very high3 Ų365.7 Ų65.73%0.02532%0.316CS..G310 helixtrans-53.6-25.2179.500000114.6E10 T52 A53 A107 F111 I140E10-A109 HydrophobicContact CB-CB 3.81Å; E10-A109 HydrophobicContact CG-CB 3.69Å; T52-A109 WeakPolarHBondContact OG1-CB 3.39Å; A53-A109 WeakPolarHBondContact O-CA 3.44Å; A53-A109 PolarHBondContact O-N 3.46Å; A107-A109 PolarHBondContact O-N 3.3Å; A107-A109 VanDerWaalsContact O-N 3.13Å; A109-F111 PolarHBondContact O-N 3.45Å; A109-I140 HydrophobicContact CB-CD1 4.28Å
110K98.7Very high97.8Very high39 Ų3965.6 Ų65.617%0.1732%0.321CS..G310 helixtrans-69.1-21.2176.8-64.3176.762.770.40113.5R104 N105 A107 A108 I140 L141R104-K110 WeakPolarHBondContact O-CD 3.5Å; N105-K110 WeakPolarHBondContact O-CD 3.42Å; N105-K110 WeakPolarHBondContact O-CE 3.31Å; A107-K110 WeakPolarHBondContact O-CB 3.38Å; A107-K110 PolarHBondContact O-N 3.16Å; A108-K110 PolarHBondContact O-N 3.28Å; K110-I140 HydrophobicContact CG-CB 4.11Å; K110-I140 WeakPolarHBondContact CG-O 3.19Å; K110-I140 PolarHBondContact NZ-O 2.92Å; K110-L141 WeakPolarHBondContact O-CD2 3.48Å
111F98.7Very high98Very high41 Ų4163.2 Ų63.218%0.1831%0.311CS..G310 helixtrans-113.87.8-165.4-54.5-75.8000113.4M80 R83 A107 A108 A109 L113 E114M80-F111 HydrophobicContact CE-CB 4.11Å; M80-F111 WeakPolarHBondContact CE-O 3.33Å; M80-F111 HydrophobicContact SD-CB 4.21Å; R83-F111 VanDerWaalsContact NH2-CZ 3.31Å; A107-F111 VanDerWaalsContact O-CD2 3.32Å; A107-F111 WeakPolarHBondContact O-CD2 3.29Å; A107-F111 WeakPolarHBondContact O-CE2 3.16Å; A108-F111 PolarHBondContact O-N 3Å; A109-F111 PolarHBondContact O-N 3.45Å; F111-L113 PolarHBondContact O-N 3.31Å; F111-E114 PolarHBondContact O-N 3.47Å
112W98.8Very high98.1Very high4 Ų459.4 Ų59.42%0.01530%0.299CS..THydrogen-bonded Turntrans-62.8-17.6-17582.9-88.6000114.1I8 V51 A53 Q78 S118 I121 L125 L149 L152I8-W112 HydrophobicContact CG2-CH2 4.44Å; I8-W112 HydrophobicContact CG2-CZ2 3.61Å; V51-W112 HydrophobicContact CG1-CE3 4.14Å; V51-W112 HydrophobicContact CG1-CH2 4.32Å; V51-W112 HydrophobicContact CG1-CZ3 4.02Å; A53-W112 HydrophobicContact CB-CB 3.86Å; Q78-W112 PolarHBondContact NE2-O 3.05Å; W112-S118 PolarHBondContact O-OG 3.19Å; W112-I121 HydrophobicContact CE3-CG2 4.45Å; W112-I121 HydrophobicContact CZ3-CG2 4.02Å; W112-L125 HydrophobicContact CH2-CD1 4Å; W112-L125 HydrophobicContact CZ3-CD1 4.02Å; W112-L149 HydrophobicContact CZ2-CD1 4.15Å; W112-L152 HydrophobicContact CH2-CD2 4.27Å
113L98.7Very high98.2Very high1 Ų161.1 Ų61.11%0.00531%0.311CS..THydrogen-bonded Turntrans-100.77.7174.9-73.7166.9000114F111 S118 C122 L141 S145 K148 L149F111-L113 PolarHBondContact O-N 3.31Å; L113-S118 VanDerWaalsContact CA-OG 3.31Å; L113-S118 WeakPolarHBondContact CA-OG 3.42Å; L113-C122 VanDerWaalsContact CD2-SG 3.54Å; L113-L141 HydrophobicContact CD1-CD1 4.01Å; L113-S145 VanDerWaalsContact CD1-O 3.3Å; L113-S145 WeakPolarHBondContact CD1-O 3.11Å; L113-K148 HydrophobicContact CB-CD 4.45Å; L113-K148 HydrophobicContact CD2-CB 4.46Å; L113-K148 WeakPolarHBondContact O-CD 3.49Å; L113-K148 PolarHBondContact O-NZ 3Å; L113-L149 HydrophobicContact CD1-CB 3.79Å
114E98.3Very high98.3Very high92 Ų9258.3 Ų58.343%0.4331%0.305SS..SBendtrans-119.612.2-175.1-55.5-175.6-169.700112.5F111 S118 S142 S145F111-E114 PolarHBondContact O-N 3.47Å; E114-S118 PolarHBondContact N-OG 3.46Å; E114-S142 PolarHBondContact OE1-OG 2.93Å; E114-S145 WeakPolarHBondContact CG-OG 3.38Å; E114-S145 PolarHBondContact OE1-OG 2.98Å
115S97.7Very high98.3Very high31 Ų3157 Ų5722%0.21730%0.3CS..SBendtrans-102.5168.1-18072.40000113.1Q78 Q117 S118Q78-S115 VanDerWaalsContact OE1-CB 3.29Å; Q78-S115 PolarHBondContact OE1-OG 3.39Å; S115-Q117 VanDerWaalsContact C-N 3.26Å; S115-Q117 PolarHBondContact O-N 2.93Å; S115-Q117 PolarHBondContact OG-N 2.94Å; S115-S118 PolarHBondContact N-OG 3.37Å; S115-S118 WeakPolarHBondContact O-CB 3.33Å; S115-S118 PolarHBondContact O-N 3.23Å; S115-S118 PolarHBondContact O-OG 3.27Å; S115-S118 PolarHBondContact OG-N 2.97Å; S115-S118 PolarHBondContact OG-OG 3.24Å
116E97.6Very high98.5Very high180 Ų18051.1 Ų51.184%0.84127%0.269SS*.THydrogen-bonded Turntrans-64.5-31.2173.2-63.4-177165.300112.5S118E116-S118 VanDerWaalsContact C-N 3.28Å; E116-S118 PolarHBondContact O-N 2.84Å
117Q97.9Very high98.5Very high103 Ų10349.1 Ų49.148%0.48126%0.263SS..THydrogen-bonded Turntrans-78.9-12.9179-60.874.722.800112.7S115 A119 A120 I121S115-Q117 VanDerWaalsContact C-N 3.26Å; S115-Q117 PolarHBondContact O-N 2.93Å; S115-Q117 PolarHBondContact OG-N 2.94Å; Q117-A119 VanDerWaalsContact C-N 3.3Å; Q117-A119 PolarHBondContact O-N 3.09Å; Q117-A120 PolarHBondContact O-N 3.25Å; Q117-I121 HydrophobicContact CB-CD1 4.11Å; Q117-I121 WeakPolarHBondContact O-CG1 3.06Å; Q117-I121 PolarHBondContact O-N 3.39Å
118S98.5Very high98.5Very high7 Ų749.3 Ų49.35%0.04926%0.263CS..Hα-helixtrans-56.1-43-173.1-64.60000112.7W112 L113 E114 S115 E116 I121 C122W112-S118 PolarHBondContact O-OG 3.19Å; L113-S118 VanDerWaalsContact CA-OG 3.31Å; L113-S118 WeakPolarHBondContact CA-OG 3.42Å; E114-S118 PolarHBondContact N-OG 3.46Å; S115-S118 PolarHBondContact N-OG 3.37Å; S115-S118 WeakPolarHBondContact O-CB 3.33Å; S115-S118 PolarHBondContact O-N 3.23Å; S115-S118 PolarHBondContact O-OG 3.27Å; S115-S118 PolarHBondContact OG-N 2.97Å; S115-S118 PolarHBondContact OG-OG 3.24Å; E116-S118 VanDerWaalsContact C-N 3.28Å; E116-S118 PolarHBondContact O-N 2.84Å; S118-I121 PolarHBondContact O-N 3.23Å; S118-C122 WeakPolarHBondContact O-CB 3.16Å; S118-C122 PolarHBondContact O-N 2.95Å; S118-C122 PolarHBondContact O-SG 3.32Å
119A98.5Very high98.5Very high77 Ų7752.1 Ų52.164%0.63628%0.278SS*.Hα-helixtrans-64.6-46.4-177.800000112.1Q117 C122 E123Q117-A119 VanDerWaalsContact C-N 3.3Å; Q117-A119 PolarHBondContact O-N 3.09Å; A119-C122 PolarHBondContact O-N 3.07Å; A119-E123 PolarHBondContact O-N 3.42Å
120A98.5Very high98.5Very high58 Ų5853.5 Ų53.548%0.47928%0.283SS..Hα-helixtrans-66-39.4179.200000112.1Q117 C122 E123 E124Q117-A120 PolarHBondContact O-N 3.25Å; A120-C122 VanDerWaalsContact C-N 3.34Å; A120-E123 PolarHBondContact O-N 2.89Å; A120-E124 PolarHBondContact O-N 3.28Å; A120-E124 VanDerWaalsContact O-N 3.07Å
121I98.7Very high98.6Very high15 Ų1551.6 Ų51.68%0.07728%0.275CS..Hα-helixtrans-64.2-40.8174.6-68166.7000110.6L76 Q78 W112 Q117 S118 E124 L125L76-I121 HydrophobicContact CB-CG2 4.34Å; L76-I121 HydrophobicContact CD2-CG1 4.42Å; L76-I121 HydrophobicContact CD2-CG2 4.47Å; Q78-I121 VanDerWaalsContact CD-CD1 3.49Å; Q78-I121 HydrophobicContact CG-CD1 3.39Å; Q78-I121 VanDerWaalsContact NE2-CD1 3.35Å; W112-I121 HydrophobicContact CE3-CG2 4.45Å; W112-I121 HydrophobicContact CZ3-CG2 4.02Å; Q117-I121 HydrophobicContact CB-CD1 4.11Å; Q117-I121 WeakPolarHBondContact O-CG1 3.06Å; Q117-I121 PolarHBondContact O-N 3.39Å; S118-I121 PolarHBondContact O-N 3.23Å; I121-E124 WeakPolarHBondContact O-CB 3.36Å; I121-E124 PolarHBondContact O-N 3.29Å; I121-L125 HydrophobicContact CG2-CD1 3.8Å; I121-L125 HydrophobicContact CG2-CG 4.3Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 VanDerWaalsContact O-CG 3.24Å; I121-L125 WeakPolarHBondContact O-CG 3.25Å; I121-L125 PolarHBondContact O-N 2.69Å
122C98.8Very high98.6Very high23 Ų2349.8 Ų49.816%0.15527%0.266CS..Hα-helixtrans-63.7-40.4175.7-68.20000111.9L113 S118 A119 A120 E124 L125 A126 L152L113-C122 VanDerWaalsContact CD2-SG 3.54Å; S118-C122 WeakPolarHBondContact O-CB 3.16Å; S118-C122 PolarHBondContact O-N 2.95Å; S118-C122 PolarHBondContact O-SG 3.32Å; A119-C122 PolarHBondContact O-N 3.07Å; A120-C122 VanDerWaalsContact C-N 3.34Å; C122-E124 VanDerWaalsContact C-N 3.34Å; C122-E124 PolarHBondContact O-N 2.93Å; C122-L125 PolarHBondContact O-N 3.37Å; C122-A126 WeakPolarHBondContact O-CB 3.43Å; C122-A126 PolarHBondContact O-N 2.69Å; C122-L152 HydrophobicContact CB-CD1 4.22Å; C122-L152 HydrophobicContact CB-CD2 4.44Å; C122-L152 WeakPolarHBondContact O-CD1 3.43Å
123E98.6Very high98.6Very high141 Ų14149.6 Ų49.666%0.65927%0.266SS*.Hα-helixtrans-61.4-41.6176.6-171.5177.1-175.900112A119 A120 N127A119-E123 PolarHBondContact O-N 3.42Å; A120-E123 PolarHBondContact O-N 2.89Å; E123-N127 PolarHBondContact O-ND2 3.24Å
124E98.7Very high98.6Very high108 Ų10849.5 Ų49.551%0.50527%0.266SS..Hα-helixtrans-59.8-50.1171.3-76.9-100.7166.200111.5L76 A120 I121 C122 A126 N127 F128L76-E124 HydrophobicContact CD1-CB 4.39Å; L76-E124 HydrophobicContact CD2-CB 4.09Å; L76-E124 HydrophobicContact CD2-CG 4.2Å; A120-E124 PolarHBondContact O-N 3.28Å; A120-E124 VanDerWaalsContact O-N 3.07Å; I121-E124 WeakPolarHBondContact O-CB 3.36Å; I121-E124 PolarHBondContact O-N 3.29Å; C122-E124 VanDerWaalsContact C-N 3.34Å; C122-E124 PolarHBondContact O-N 2.93Å; E124-A126 VanDerWaalsContact C-N 3.33Å; E124-A126 PolarHBondContact O-N 3.01Å; E124-N127 PolarHBondContact O-N 3.11Å; E124-N127 VanDerWaalsContact O-N 3.13Å; E124-F128 WeakPolarHBondContact O-CD2 3.47Å
125L98.9Very high98.6Very high0 Ų045.1 Ų45.10%025%0.245CC..Hα-helixtrans-66.5-30.6-177.6-69.2172.5000113.5A6 V51 L76 W112 I121 C122 N127 F128 L131 L152A6-L125 HydrophobicContact CB-CD2 3.41Å; A6-L125 VanDerWaalsContact CB-CD2 3.41Å; V51-L125 HydrophobicContact CG1-CD1 4.03Å; V51-L125 HydrophobicContact CG2-CD1 4.41Å; V51-L125 HydrophobicContact CG2-CD2 3.85Å; L76-L125 HydrophobicContact CD1-CD2 3.64Å; L76-L125 HydrophobicContact CD1-CG 4.1Å; W112-L125 HydrophobicContact CH2-CD1 4Å; W112-L125 HydrophobicContact CZ3-CD1 4.02Å; I121-L125 HydrophobicContact CG2-CD1 3.8Å; I121-L125 HydrophobicContact CG2-CG 4.3Å; I121-L125 WeakPolarHBondContact O-CB 3.3Å; I121-L125 VanDerWaalsContact O-CG 3.24Å; I121-L125 WeakPolarHBondContact O-CG 3.25Å; I121-L125 PolarHBondContact O-N 2.69Å; C122-L125 PolarHBondContact O-N 3.37Å; L125-N127 PolarHBondContact O-N 3.43Å; L125-N127 VanDerWaalsContact O-N 3.08Å; L125-F128 HydrophobicContact CD2-CD2 4.21Å; L125-F128 HydrophobicContact CD2-CE2 4.21Å; L125-F128 HydrophobicContact CD2-CG 4.45Å; L125-F128 HydrophobicContact CD2-CZ 4.46Å; L125-F128 WeakPolarHBondContact O-CB 3.36Å; L125-F128 PolarHBondContact O-N 2.71Å; L125-F128 VanDerWaalsContact O-N 3.08Å; L125-L131 HydrophobicContact CB-CD2 4.26Å; L125-L131 HydrophobicContact CD2-CD2 4.04Å; L125-L152 HydrophobicContact CB-CD1 3.91Å; L125-L152 HydrophobicContact CB-CD2 3.99Å; L125-L152 HydrophobicContact CB-CG 4.5Å; L125-L152 HydrophobicContact CD1-CD2 3.94Å
126A98.8Very high98.7Very high1 Ų144.2 Ų44.21%0.00824%0.238CC..THydrogen-bonded Turntrans-61.7-15.917500000112.6C122 E124 L152 E155 C156 N159C122-A126 WeakPolarHBondContact O-CB 3.43Å; C122-A126 PolarHBondContact O-N 2.69Å; E124-A126 VanDerWaalsContact C-N 3.33Å; E124-A126 PolarHBondContact O-N 3.01Å; A126-L152 HydrophobicContact CB-CD1 3.96Å; A126-E155 HydrophobicContact CB-CB 4.48Å; A126-E155 HydrophobicContact CB-CG 3.99Å; A126-C156 WeakPolarHBondContact O-CA 3.3Å; A126-N159 PolarHBondContact O-ND2 3.21Å
127N98.6Very high98.7Very high105 Ų10535.8 Ų35.856%0.56120%0.199SC*.THydrogen-bonded Turntrans-108.312.4178.8-65.5-74.5000113.4E123 E124 L125E123-N127 PolarHBondContact O-ND2 3.24Å; E124-N127 PolarHBondContact O-N 3.11Å; E124-N127 VanDerWaalsContact O-N 3.13Å; L125-N127 PolarHBondContact O-N 3.43Å; L125-N127 VanDerWaalsContact O-N 3.08Å
128F98.8Very high98.8Very high6 Ų630.9 Ų30.93%0.02618%0.176CC..  trans-80.3150.7173.4-91.2-121.4000112.2K4 A6 H49 L76 E124 L125 L131K4-F128 HydrophobicContact CB-CD1 3.49Å; K4-F128 VanDerWaalsContact CB-CD1 3.49Å; K4-F128 HydrophobicContact CB-CE1 3.58Å; K4-F128 HydrophobicContact CB-CG 4.17Å; K4-F128 HydrophobicContact CB-CZ 4.31Å; K4-F128 HydrophobicContact CD-CE1 4.26Å; K4-F128 HydrophobicContact CD-CE2 4.42Å; K4-F128 HydrophobicContact CD-CZ 4.15Å; A6-F128 HydrophobicContact CB-CD1 3.54Å; A6-F128 HydrophobicContact CB-CE1 3.62Å; A6-F128 HydrophobicContact CB-CG 4.25Å; A6-F128 HydrophobicContact CB-CZ 4.39Å; H49-F128 HydrophobicContact CB-CE1 3.95Å; H49-F128 HydrophobicContact CB-CZ 4.32Å; H49-F128 AromaticContact CD2-CE1 3.65Å; H49-F128 AromaticContact CG-CE1 3.65Å; H49-F128 AromaticContact CG-CZ 3.86Å; H49-F128 AromaticContact ND1-CZ 3.94Å; L76-F128 HydrophobicContact CD1-CE2 3.85Å; L76-F128 HydrophobicContact CD1-CZ 3.81Å; E124-F128 WeakPolarHBondContact O-CD2 3.47Å; L125-F128 HydrophobicContact CD2-CD2 4.21Å; L125-F128 HydrophobicContact CD2-CE2 4.21Å; L125-F128 HydrophobicContact CD2-CG 4.45Å; L125-F128 HydrophobicContact CD2-CZ 4.46Å; L125-F128 WeakPolarHBondContact O-CB 3.36Å; L125-F128 PolarHBondContact O-N 2.71Å; L125-F128 VanDerWaalsContact O-N 3.08Å; F128-L131 HydrophobicContact CB-CD2 3.94Å; F128-L131 HydrophobicContact CG-CD2 4.48Å
129D98.8Very high98.8Very high60 Ų6030.9 Ų30.932%0.32118%0.176SC..SBendtrans-68.9-37.5174.9-55.4-92.5000111.6K3 K4 G161 K162K3-D129 VanDerWaalsContact CA-OD2 3.24Å; K3-D129 WeakPolarHBondContact CA-OD2 3.26Å; K3-D129 HydrophobicContact CB-CB 4.14Å; K3-D129 HydrophobicContact CG-CB 4.44Å; K4-D129 PolarHBondContact N-OD2 3.28Å; K4-D129 PolarHBondContact O-N 3.5Å; D129-G161 WeakPolarHBondContact O-CA 3.39Å; D129-K162 PolarHBondContact O-N 2.89Å
130Y98.9Very high98.8Very high31 Ų3127.6 Ų27.612%0.12215%0.147CC..EExtended strand (participates in β ladder)trans-138.3132.3-177.2-52-73000111.9K3 K4 I5 A6 L46 K162 I164 L275K3-Y130 HydrophobicContact CB-CE2 4.07Å; K3-Y130 HydrophobicContact CD-CE2 3.91Å; K3-Y130 PolarHBondContact NZ-OH 3.36Å; K4-Y130 PolarHBondContact O-N 3.45Å; K4-Y130 VanDerWaalsContact O-N 3.07Å; I5-Y130 WeakPolarHBondContact CA-O 3.44Å; I5-Y130 HydrophobicContact CB-CD2 4.39Å; A6-Y130 PolarHBondContact N-O 3.22Å; L46-Y130 HydrophobicContact CD1-CD2 4Å; L46-Y130 HydrophobicContact CD1-CE2 4.12Å; Y130-K162 WeakPolarHBondContact CA-O 3.29Å; Y130-K162 HydrophobicContact CD1-CB 3.82Å; Y130-K162 HydrophobicContact CD1-CG 4.48Å; Y130-K162 HydrophobicContact CE1-CB 4.09Å; Y130-K162 HydrophobicContact CE1-CG 4.27Å; Y130-I164 HydrophobicContact CD1-CD1 4.3Å; Y130-L275 HydrophobicContact CD1-CD1 4.26Å; Y130-L275 HydrophobicContact CD1-CD2 3.84Å; Y130-L275 HydrophobicContact CD2-CD1 3.93Å; Y130-L275 HydrophobicContact CE1-CD2 3.59Å; Y130-L275 HydrophobicContact CE2-CB 4.18Å; Y130-L275 HydrophobicContact CE2-CD1 4.23Å; Y130-L275 HydrophobicContact CE2-CD2 4.3Å; Y130-L275 HydrophobicContact CE2-CG 4.47Å; Y130-L275 HydrophobicContact CG-CD1 3.95Å; Y130-L275 HydrophobicContact CG-CD2 4.35Å
131L99Very high98.8Very high0 Ų025 Ų250%013%0.126CC..EExtended strand (participates in β ladder)trans-114.2124.7166.1-60.4-176.1000109.1A6 L125 F128 L152 L153 C156 K162 V163 I164A6-L131 HydrophobicContact CB-CD2 3.74Å; A6-L131 CarbonylContact O-C 3.58Å; A6-L131 WeakPolarHBondContact O-CA 3.17Å; L125-L131 HydrophobicContact CB-CD2 4.26Å; L125-L131 HydrophobicContact CD2-CD2 4.04Å; F128-L131 HydrophobicContact CB-CD2 3.94Å; F128-L131 HydrophobicContact CG-CD2 4.48Å; L131-L152 HydrophobicContact CD1-CG 4.27Å; L131-L153 HydrophobicContact CB-CD2 4.12Å; L131-L153 HydrophobicContact CD1-CD2 3.76Å; L131-C156 HydrophobicContact CD1-CB 3.67Å; L131-C156 HydrophobicContact CG-CB 4.41Å; L131-K162 PolarHBondContact N-O 3.39Å; L131-V163 WeakPolarHBondContact O-CA 3.46Å; L131-I164 PolarHBondContact O-N 2.88Å
132Y99Very high98.8Very high2 Ų226.1 Ų26.11%0.00814%0.135CC..EExtended strand (participates in β ladder)trans-114.3138.2174.6178.9-77000110.4A6 V7 I8 T30 T33 I164 D166 F195 L271A6-Y132 PolarHBondContact O-N 3.4Å; V7-Y132 CarbonylContact C-O 3.55Å; V7-Y132 WeakPolarHBondContact CA-O 3.37Å; V7-Y132 HydrophobicContact CG1-CD1 3.5Å; V7-Y132 HydrophobicContact CG1-CE1 4.18Å; V7-Y132 HydrophobicContact CG1-CG 4.2Å; I8-Y132 PolarHBondContact N-O 3.02Å; T30-Y132 HydrophobicContact CG2-CD1 4.35Å; T30-Y132 HydrophobicContact CG2-CE1 3.99Å; T33-Y132 HydrophobicContact CG2-CE1 4.08Å; T33-Y132 HydrophobicContact CG2-CE2 4.2Å; Y132-I164 WeakPolarHBondContact CA-O 3.37Å; Y132-I164 HydrophobicContact CD2-CB 3.89Å; Y132-I164 HydrophobicContact CD2-CG2 3.48Å; Y132-I164 VanDerWaalsContact CD2-CG2 3.48Å; Y132-I164 HydrophobicContact CE2-CG2 3.96Å; Y132-D166 HydrophobicContact CE2-CB 4.36Å; Y132-D166 VanDerWaalsContact OH-CB 3.26Å; Y132-D166 WeakPolarHBondContact OH-CB 3.32Å; Y132-D166 PolarHBondContact OH-OD2 3.1Å; Y132-F195 HydrophobicContact CE2-CD2 4.3Å; Y132-F195 HydrophobicContact CE2-CE2 4.39Å; Y132-L271 HydrophobicContact CD2-CD1 3.61Å; Y132-L271 HydrophobicContact CE2-CD1 3.86Å
133L99Very high98.8Very high0 Ų029.1 Ų29.10%015%0.154CC..EExtended strand (participates in β ladder)trans-152.4163.7170.258.1159.7000110.9I8 L138 L149 L153 V163 I164 F165 D166 M187I8-L133 HydrophobicContact CB-CB 4.3Å; L133-L138 HydrophobicContact CD1-CD2 3.93Å; L133-L138 HydrophobicContact CD1-CG 4.13Å; L133-L149 HydrophobicContact CD1-CD2 3.84Å; L133-L149 HydrophobicContact CD1-CG 4.36Å; L133-L153 HydrophobicContact CD1-CD1 4.3Å; L133-L153 HydrophobicContact CD2-CD1 4.17Å; L133-L153 HydrophobicContact CD2-CD2 3.91Å; L133-V163 HydrophobicContact CD2-CG1 4.36Å; L133-I164 PolarHBondContact N-O 3.1Å; L133-I164 VanDerWaalsContact N-O 3.1Å; L133-F165 WeakPolarHBondContact O-CA 3.38Å; L133-D166 PolarHBondContact O-N 3.42Å; L133-M187 HydrophobicContact CD1-CE 3.94Å; L133-M187 HydrophobicContact CD1-SD 3.95Å; L133-M187 HydrophobicContact CD2-CE 3.59Å; L133-M187 HydrophobicContact CG-CE 3.81Å; L133-M187 HydrophobicContact CG-SD 4.45Å
134S98.9Very high98.8Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-113.8173176.778.10000113D29 I136 S137 L138 D166D29-S134 WeakPolarHBondContact OD2-CB 3.19Å; D29-S134 PolarHBondContact OD2-OG 3.3Å; S134-I136 PolarHBondContact O-N 3.43Å; S134-I136 PolarHBondContact OG-N 3.2Å; S134-I136 VanDerWaalsContact OG-N 3.1Å; S134-S137 PolarHBondContact N-OG 3.44Å; S134-S137 VanDerWaalsContact N-OG 3.15Å; S134-S137 VanDerWaalsContact O-CB 3.31Å; S134-S137 WeakPolarHBondContact O-CB 3.49Å; S134-S137 PolarHBondContact O-N 3.31Å; S134-S137 VanDerWaalsContact O-N 3.08Å; S134-S137 PolarHBondContact OG-N 3.25Å; S134-S137 PolarHBondContact OG-OG 3.44Å; S134-L138 PolarHBondContact O-N 2.94Å; S134-D166 CarbonylContact C-O 3.58Å; S134-D166 WeakPolarHBondContact CA-O 3.35Å
135G98.9Very high98.8Very high0 Ų021.9 Ų21.90%013%0.127CC..Hα-helixtrans-52.9-34.9167.300000113.4L138 A139 D166 W174 Y184G135-L138 PolarHBondContact O-N 2.94Å; G135-A139 WeakPolarHBondContact O-CB 3.27Å; G135-A139 PolarHBondContact O-N 2.84Å; G135-D166 PolarHBondContact N-O 2.89Å; G135-W174 WeakPolarHBondContact O-CZ2 3.34Å; G135-Y184 WeakPolarHBondContact CA-OH 3.37Å
136I98.8Very high98.8Very high12 Ų1222.6 Ų22.66%0.06213%0.13CC..Hα-helixtrans-68.8-42.3176-61.4-174.7000110.4D29 R104 S134 L138 A139 I140 R170 L173D29-I136 HydrophobicContact CB-CD1 4.33Å; R104-I136 VanDerWaalsContact NH2-CG2 3.35Å; S134-I136 PolarHBondContact O-N 3.43Å; S134-I136 PolarHBondContact OG-N 3.2Å; S134-I136 VanDerWaalsContact OG-N 3.1Å; I136-L138 PolarHBondContact O-N 2.82Å; I136-A139 PolarHBondContact O-N 3.22Å; I136-A139 VanDerWaalsContact O-N 3.11Å; I136-I140 HydrophobicContact CG2-CG2 4.35Å; I136-I140 WeakPolarHBondContact O-CG2 3.27Å; I136-I140 PolarHBondContact O-N 3.46Å; I136-R170 HydrophobicContact CD1-CG 3.7Å; I136-R170 HydrophobicContact CG1-CB 4.46Å; I136-R170 HydrophobicContact CG1-CG 3.92Å; I136-L173 HydrophobicContact CB-CD1 4.47Å; I136-L173 HydrophobicContact CG1-CD1 4.27Å; I136-L173 HydrophobicContact CG2-CD1 3.91Å
137S98.9Very high98.8Very high3 Ų327 Ų272%0.02115%0.15CC..Hα-helixtrans-56.2-35.6176.9-48.70000112.5I8 G9 T30 S134 I140 L141I8-S137 WeakPolarHBondContact O-CB 3.49Å; I8-S137 PolarHBondContact O-OG 3.24Å; G9-S137 WeakPolarHBondContact CA-OG 3.47Å; T30-S137 WeakPolarHBondContact CG2-OG 3.36Å; S134-S137 PolarHBondContact N-OG 3.44Å; S134-S137 VanDerWaalsContact N-OG 3.15Å; S134-S137 VanDerWaalsContact O-CB 3.31Å; S134-S137 WeakPolarHBondContact O-CB 3.49Å; S134-S137 PolarHBondContact O-N 3.31Å; S134-S137 VanDerWaalsContact O-N 3.08Å; S134-S137 PolarHBondContact OG-N 3.25Å; S134-S137 PolarHBondContact OG-OG 3.44Å; S137-I140 WeakPolarHBondContact O-CG1 3.2Å; S137-L141 WeakPolarHBondContact O-CG 3.45Å
138L98.9Very high98.8Very high0 Ų026.5 Ų26.50%014%0.143CC..Hα-helixtrans-76.4-44.1174.7-65.5169.1000112.1L133 S134 G135 I136 I140 L141 R146 L149 F165 W174 V183 M187L133-L138 HydrophobicContact CD1-CD2 3.93Å; L133-L138 HydrophobicContact CD1-CG 4.13Å; S134-L138 PolarHBondContact O-N 2.94Å; G135-L138 PolarHBondContact O-N 2.94Å; I136-L138 PolarHBondContact O-N 2.82Å; L138-I140 PolarHBondContact O-N 3.46Å; L138-L141 PolarHBondContact O-N 3.4Å; L138-L141 VanDerWaalsContact O-N 3.13Å; L138-R146 PolarHBondContact O-NE 2.9Å; L138-L149 HydrophobicContact CD2-CD2 3.96Å; L138-F165 HydrophobicContact CD1-CE2 3.71Å; L138-F165 HydrophobicContact CD1-CZ 4.16Å; L138-W174 HydrophobicContact CB-CH2 3.94Å; L138-W174 HydrophobicContact CB-CZ2 4.23Å; L138-V183 HydrophobicContact CB-CG1 4.23Å; L138-V183 HydrophobicContact CD1-CG1 4.09Å; L138-M187 HydrophobicContact CD1-CB 3.89Å; L138-M187 HydrophobicContact CD1-CG 3.76Å; L138-M187 HydrophobicContact CD1-SD 4.11Å; L138-M187 HydrophobicContact CD2-SD 4.47Å
139A98.7Very high98.8Very high6 Ų626.2 Ų26.25%0.0514%0.142CC..Hα-helixtrans-57.4-38.1-173.900000112.4G135 I136 L141 R146 L173 W174G135-A139 WeakPolarHBondContact O-CB 3.27Å; G135-A139 PolarHBondContact O-N 2.84Å; I136-A139 PolarHBondContact O-N 3.22Å; I136-A139 VanDerWaalsContact O-N 3.11Å; A139-L141 VanDerWaalsContact C-N 3.29Å; A139-L141 PolarHBondContact O-N 3.02Å; A139-R146 PolarHBondContact O-NH2 3.04Å; A139-L173 HydrophobicContact CB-CB 3.61Å; A139-L173 HydrophobicContact CB-CD1 4.16Å; A139-W174 HydrophobicContact CB-CD2 4.1Å; A139-W174 VanDerWaalsContact CB-CE2 3.42Å; A139-W174 HydrophobicContact CB-CH2 4.34Å; A139-W174 HydrophobicContact CB-CZ2 3.54Å
140I98.7Very high98.8Very high8 Ų823.4 Ų23.44%0.04113%0.127CC..THydrogen-bonded Turntrans-74.2-17.7-176.168.4172.2000113.7E10 A109 K110 I136 S137 L138E10-I140 HydrophobicContact CB-CD1 3.74Å; E10-I140 WeakPolarHBondContact OE2-CG2 3.45Å; A109-I140 HydrophobicContact CB-CD1 4.28Å; K110-I140 HydrophobicContact CG-CB 4.11Å; K110-I140 WeakPolarHBondContact CG-O 3.19Å; K110-I140 PolarHBondContact NZ-O 2.92Å; I136-I140 HydrophobicContact CG2-CG2 4.35Å; I136-I140 WeakPolarHBondContact O-CG2 3.27Å; I136-I140 PolarHBondContact O-N 3.46Å; S137-I140 WeakPolarHBondContact O-CG1 3.2Å; L138-I140 PolarHBondContact O-N 3.46Å
141L98.8Very high98.8Very high5 Ų525 Ų253%0.02614%0.142CC..SBendtrans-85.4150.4-176.5-62.5177.7000112K110 L113 S137 L138 A139 R146 L149K110-L141 WeakPolarHBondContact O-CD2 3.48Å; L113-L141 HydrophobicContact CD1-CD1 4.01Å; S137-L141 WeakPolarHBondContact O-CG 3.45Å; L138-L141 PolarHBondContact O-N 3.4Å; L138-L141 VanDerWaalsContact O-N 3.13Å; A139-L141 VanDerWaalsContact C-N 3.29Å; A139-L141 PolarHBondContact O-N 3.02Å; L141-R146 HydrophobicContact CB-CG 3.78Å; L141-R146 VanDerWaalsContact O-CZ 3.27Å; L141-R146 PolarHBondContact O-NE 3.23Å; L141-R146 VanDerWaalsContact O-NE 3.09Å; L141-R146 PolarHBondContact O-NH2 2.81Å; L141-L149 HydrophobicContact CD1-CB 4.44Å; L141-L149 HydrophobicContact CD1-CD2 3.56Å
142S98.5Very high98.8Very high38 Ų3825.1 Ų25.127%0.26614%0.143SC..  trans-66.1158167.768.50000110.9E114 T144 S145 R146E114-S142 PolarHBondContact OE1-OG 2.93Å; S142-T144 VanDerWaalsContact C-N 3.25Å; S142-T144 PolarHBondContact O-N 3.19Å; S142-S145 PolarHBondContact O-N 3.28Å; S142-S145 WeakPolarHBondContact OG-CB 3.14Å; S142-S145 PolarHBondContact OG-N 2.72Å; S142-S145 PolarHBondContact OG-OG 2.95Å; S142-R146 WeakPolarHBondContact O-CG 3.34Å; S142-R146 PolarHBondContact O-N 3.41Å
143P98.6Very high98.8Very high85 Ų8525 Ų2555%0.55214%0.142SC*.Hα-helixtrans-52.2-42.7174.8-28.936.1000113.1S145 R146 E147P143-S145 PolarHBondContact O-N 2.94Å; P143-R146 PolarHBondContact O-N 2.85Å; P143-E147 PolarHBondContact O-N 3Å; P143-E147 VanDerWaalsContact O-N 3.08Å
144T98.7Very high98.8Very high98 Ų9830.4 Ų30.460%0.60116%0.162SC*.Hα-helixtrans-62.7-41.8176.8-55.20000112.4S142 E147 K148S142-T144 VanDerWaalsContact C-N 3.25Å; S142-T144 PolarHBondContact O-N 3.19Å; T144-E147 PolarHBondContact O-N 3.1Å; T144-K148 PolarHBondContact O-N 3.11Å
145S98.8Very high98.8Very high0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-69.2-34.6176.5-73.80000112.4L113 E114 S142 P143 K148 L149L113-S145 VanDerWaalsContact CD1-O 3.3Å; L113-S145 WeakPolarHBondContact CD1-O 3.11Å; E114-S145 WeakPolarHBondContact CG-OG 3.38Å; E114-S145 PolarHBondContact OE1-OG 2.98Å; S142-S145 PolarHBondContact O-N 3.28Å; S142-S145 WeakPolarHBondContact OG-CB 3.14Å; S142-S145 PolarHBondContact OG-N 2.72Å; S142-S145 PolarHBondContact OG-OG 2.95Å; P143-S145 PolarHBondContact O-N 2.94Å; S145-K148 PolarHBondContact O-N 3.34Å; S145-L149 PolarHBondContact O-N 2.9Å
146R98.9Very high98.8Very high15 Ų1535.3 Ų35.36%0.05719%0.185CC..Hα-helixtrans-61.7-43.1172.8-67.3173-172157.43.3111.5L138 A139 L141 S142 P143 K148 L149 L150 E179L138-R146 PolarHBondContact O-NE 2.9Å; A139-R146 PolarHBondContact O-NH2 3.04Å; L141-R146 HydrophobicContact CB-CG 3.78Å; L141-R146 VanDerWaalsContact O-CZ 3.27Å; L141-R146 PolarHBondContact O-NE 3.23Å; L141-R146 VanDerWaalsContact O-NE 3.09Å; L141-R146 PolarHBondContact O-NH2 2.81Å; S142-R146 WeakPolarHBondContact O-CG 3.34Å; S142-R146 PolarHBondContact O-N 3.41Å; P143-R146 PolarHBondContact O-N 2.85Å; R146-K148 PolarHBondContact O-N 3.1Å; R146-L149 WeakPolarHBondContact O-CB 3.48Å; R146-L149 PolarHBondContact O-N 3.34Å; R146-L150 WeakPolarHBondContact O-CG 3.26Å; R146-L150 PolarHBondContact O-N 3.39Å; R146-E179 IonicContact CZ-OE1 3.14Å; R146-E179 IonicContact NH1-OE1 3.8Å; R146-E179 PolarHBondContact NH1-OE1 3.09Å; R146-E179 IonicContact NH2-OE1 3.6Å
147E98.8Very high98.8Very high92 Ų9238.3 Ų38.343%0.4320%0.196SC..Hα-helixtrans-62.4-39.9176-69.7-57.2147.200112.9P143 T144 S151P143-E147 PolarHBondContact O-N 3Å; P143-E147 VanDerWaalsContact O-N 3.08Å; T144-E147 PolarHBondContact O-N 3.1Å; E147-S151 WeakPolarHBondContact O-CB 3.26Å; E147-S151 PolarHBondContact O-N 2.8Å; E147-S151 PolarHBondContact O-OG 2.96Å
148K98.8Very high98.8Very high96 Ų9642.2 Ų42.242%0.41723%0.228SC..Hα-helixtrans-62.4-45.2173.4-69.3-179.5-175.3-177.90111.4L113 T144 S145 R146 S151 L152L113-K148 HydrophobicContact CB-CD 4.45Å; L113-K148 HydrophobicContact CD2-CB 4.46Å; L113-K148 WeakPolarHBondContact O-CD 3.49Å; L113-K148 PolarHBondContact O-NZ 3Å; T144-K148 PolarHBondContact O-N 3.11Å; S145-K148 PolarHBondContact O-N 3.34Å; R146-K148 PolarHBondContact O-N 3.1Å; K148-S151 WeakPolarHBondContact O-CB 3.33Å; K148-S151 PolarHBondContact O-N 3.01Å; K148-L152 PolarHBondContact O-N 2.88Å
149L98.9Very high98.7Very high0 Ų046.5 Ų46.50%025%0.251CS..Hα-helixtrans-61.3-49.4177.3-177.750.8000111I8 W112 L113 L133 L138 L141 S145 R146 S151 L152 L153I8-L149 HydrophobicContact CD1-CD1 4.22Å; W112-L149 HydrophobicContact CZ2-CD1 4.15Å; L113-L149 HydrophobicContact CD1-CB 3.79Å; L133-L149 HydrophobicContact CD1-CD2 3.84Å; L133-L149 HydrophobicContact CD1-CG 4.36Å; L138-L149 HydrophobicContact CD2-CD2 3.96Å; L141-L149 HydrophobicContact CD1-CB 4.44Å; L141-L149 HydrophobicContact CD1-CD2 3.56Å; S145-L149 PolarHBondContact O-N 2.9Å; R146-L149 WeakPolarHBondContact O-CB 3.48Å; R146-L149 PolarHBondContact O-N 3.34Å; L149-S151 PolarHBondContact O-N 3.38Å; L149-L152 HydrophobicContact CD1-CD2 4.26Å; L149-L152 WeakPolarHBondContact O-CB 3.36Å; L149-L152 PolarHBondContact O-N 3.23Å; L149-L152 VanDerWaalsContact O-N 3.11Å; L149-L153 HydrophobicContact CD1-CD2 4.34Å; L149-L153 HydrophobicContact CD1-CG 4.29Å; L149-L153 HydrophobicContact CG-CD1 4.46Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 2.87Å
150L98.9Very high98.7Very high1 Ų148.9 Ų48.91%0.00528%0.277CS..Hα-helixtrans-58.7-36.6176.6-69.6168.2000112R146 L153 R154 Q186 M187 C190R146-L150 WeakPolarHBondContact O-CG 3.26Å; R146-L150 PolarHBondContact O-N 3.39Å; L150-L153 HydrophobicContact CD2-CD1 4.45Å; L150-L153 PolarHBondContact O-N 2.93Å; L150-R154 WeakPolarHBondContact O-CG 3.47Å; L150-R154 PolarHBondContact O-N 2.88Å; L150-R154 VanDerWaalsContact O-N 3.08Å; L150-Q186 HydrophobicContact CD1-CB 3.92Å; L150-Q186 HydrophobicContact CD2-CB 4.39Å; L150-M187 HydrophobicContact CD2-SD 4.31Å; L150-C190 HydrophobicContact CD2-CB 4.47Å
151S98.8Very high98.7Very high63 Ų6348.8 Ų48.844%0.44128%0.277SS..Hα-helixtrans-64.3-46.4174.3-58.70000112E147 K148 L149 L153 R154 E155E147-S151 WeakPolarHBondContact O-CB 3.26Å; E147-S151 PolarHBondContact O-N 2.8Å; E147-S151 PolarHBondContact O-OG 2.96Å; K148-S151 WeakPolarHBondContact O-CB 3.33Å; K148-S151 PolarHBondContact O-N 3.01Å; L149-S151 PolarHBondContact O-N 3.38Å; S151-L153 VanDerWaalsContact C-N 3.34Å; S151-L153 PolarHBondContact O-N 3.07Å; S151-R154 PolarHBondContact O-N 3.07Å; S151-E155 PolarHBondContact O-N 2.83Å
152L98.8Very high98.7Very high4 Ų452.8 Ų52.82%0.02130%0.295CS..Hα-helixtrans-57-44.9173.1166.863.7000111.9W112 C122 L125 A126 L131 K148 L149 R154 E155 C156W112-L152 HydrophobicContact CH2-CD2 4.27Å; C122-L152 HydrophobicContact CB-CD1 4.22Å; C122-L152 HydrophobicContact CB-CD2 4.44Å; C122-L152 WeakPolarHBondContact O-CD1 3.43Å; L125-L152 HydrophobicContact CB-CD1 3.91Å; L125-L152 HydrophobicContact CB-CD2 3.99Å; L125-L152 HydrophobicContact CB-CG 4.5Å; L125-L152 HydrophobicContact CD1-CD2 3.94Å; A126-L152 HydrophobicContact CB-CD1 3.96Å; L131-L152 HydrophobicContact CD1-CG 4.27Å; K148-L152 PolarHBondContact O-N 2.88Å; L149-L152 HydrophobicContact CD1-CD2 4.26Å; L149-L152 WeakPolarHBondContact O-CB 3.36Å; L149-L152 PolarHBondContact O-N 3.23Å; L149-L152 VanDerWaalsContact O-N 3.11Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 2.78Å; L152-E155 PolarHBondContact O-N 2.89Å; L152-C156 WeakPolarHBondContact O-CB 3.15Å; L152-C156 PolarHBondContact O-N 3.16Å
153L98.9Very high98.8Very high0 Ų051 Ų510%028%0.282CS..Hα-helixtrans-62.2-41.5-179.9-64179.6000111.6L131 L133 L149 L150 S151 R157 V163 M187 C190L131-L153 HydrophobicContact CB-CD2 4.12Å; L131-L153 HydrophobicContact CD1-CD2 3.76Å; L133-L153 HydrophobicContact CD1-CD1 4.3Å; L133-L153 HydrophobicContact CD2-CD1 4.17Å; L133-L153 HydrophobicContact CD2-CD2 3.91Å; L149-L153 HydrophobicContact CD1-CD2 4.34Å; L149-L153 HydrophobicContact CD1-CG 4.29Å; L149-L153 HydrophobicContact CG-CD1 4.46Å; L149-L153 VanDerWaalsContact O-CG 3.29Å; L149-L153 WeakPolarHBondContact O-CG 3.4Å; L149-L153 PolarHBondContact O-N 2.87Å; L150-L153 HydrophobicContact CD2-CD1 4.45Å; L150-L153 PolarHBondContact O-N 2.93Å; S151-L153 VanDerWaalsContact C-N 3.34Å; S151-L153 PolarHBondContact O-N 3.07Å; L153-R157 WeakPolarHBondContact O-CG 3.37Å; L153-R157 PolarHBondContact O-N 2.84Å; L153-R157 VanDerWaalsContact O-N 3.1Å; L153-V163 HydrophobicContact CB-CG2 4.04Å; L153-V163 HydrophobicContact CD1-CG1 4.21Å; L153-V163 HydrophobicContact CD2-CG1 4.05Å; L153-V163 HydrophobicContact CD2-CG2 3.96Å; L153-V163 HydrophobicContact CG-CG2 4.5Å; L153-M187 HydrophobicContact CD1-CE 3.64Å; L153-M187 HydrophobicContact CD1-SD 3.49Å; L153-M187 WeakPolarHBondContact CD1-SD 3.36Å; L153-C190 HydrophobicContact CB-CB 4.26Å; L153-C190 HydrophobicContact CD1-CB 4.48Å
154R98.8Very high98.8Very high112 Ų11247 Ų4742%0.42326%0.256SS..Hα-helixtrans-64.4-42.7175-68.5178.6-161.4114.4-1.1111.8L150 S151 L152 R157 A158L150-R154 WeakPolarHBondContact O-CG 3.47Å; L150-R154 PolarHBondContact O-N 2.88Å; L150-R154 VanDerWaalsContact O-N 3.08Å; S151-R154 PolarHBondContact O-N 3.07Å; L152-R154 VanDerWaalsContact C-N 3.34Å; L152-R154 PolarHBondContact O-N 2.78Å; R154-R157 PolarHBondContact O-N 2.78Å; R154-A158 WeakPolarHBondContact O-CB 3.49Å; R154-A158 PolarHBondContact O-N 3.22Å
155E98.8Very high98.8Very high103 Ų10342.3 Ų42.348%0.48123%0.227SC..Hα-helixtrans-63.6-46.6177.9-170176.8177.600111.8A126 S151 L152 R157 A158 N159A126-E155 HydrophobicContact CB-CB 4.48Å; A126-E155 HydrophobicContact CB-CG 3.99Å; S151-E155 PolarHBondContact O-N 2.83Å; L152-E155 PolarHBondContact O-N 2.89Å; E155-R157 VanDerWaalsContact C-N 3.31Å; E155-R157 PolarHBondContact O-N 3.46Å; E155-A158 WeakPolarHBondContact O-CB 3.36Å; E155-A158 PolarHBondContact O-N 3.39Å; E155-A158 VanDerWaalsContact O-N 3.11Å; E155-N159 PolarHBondContact O-N 2.63Å
156C98.8Very high98.8Very high0 Ų042.4 Ų42.40%023%0.228CC..Hα-helixtrans-55.5-45.4174.8177.50000111.9A126 L131 L152 N159 G160 G161A126-C156 WeakPolarHBondContact O-CA 3.3Å; L131-C156 HydrophobicContact CD1-CB 3.67Å; L131-C156 HydrophobicContact CG-CB 4.41Å; L152-C156 WeakPolarHBondContact O-CB 3.15Å; L152-C156 PolarHBondContact O-N 3.16Å; C156-N159 PolarHBondContact O-N 3.27Å; C156-G160 PolarHBondContact O-N 2.76Å; C156-G161 WeakPolarHBondContact O-CA 3.17Å; C156-G161 PolarHBondContact O-N 2.96Å
157R98.7Very high98.8Very high75 Ų7541.7 Ų41.728%0.28323%0.225SC..Hα-helixtrans-65.2-39.4176.2-69.9178.874.2-153.36.5112.8L153 R154 E155 N159 G160 V163 E189 C190 D192L153-R157 WeakPolarHBondContact O-CG 3.37Å; L153-R157 PolarHBondContact O-N 2.84Å; L153-R157 VanDerWaalsContact O-N 3.1Å; R154-R157 PolarHBondContact O-N 2.78Å; E155-R157 VanDerWaalsContact C-N 3.31Å; E155-R157 PolarHBondContact O-N 3.46Å; R157-N159 PolarHBondContact O-N 2.7Å; R157-G160 PolarHBondContact O-N 2.86Å; R157-V163 HydrophobicContact CG-CB 4.39Å; R157-V163 HydrophobicContact CG-CG2 3.62Å; R157-E189 PolarHBondContact NH1-O 3.1Å; R157-C190 WeakPolarHBondContact CD-O 3.39Å; R157-D192 WeakPolarHBondContact CD-OD2 3.45Å; R157-D192 IonicContact CZ-OD2 2.98Å; R157-D192 IonicContact NE-OD1 3.85Å; R157-D192 IonicContact NE-OD2 3.59Å; R157-D192 PolarHBondContact NE-OD2 3.42Å; R157-D192 IonicContact NH2-OD1 3.34Å
158A98.6Very high98.8Very high85 Ų8537.7 Ų37.770%0.70221%0.207SC*.Hα-helixtrans-62.5-32.4175.600000112R154 E155 G160R154-A158 WeakPolarHBondContact O-CB 3.49Å; R154-A158 PolarHBondContact O-N 3.22Å; E155-A158 WeakPolarHBondContact O-CB 3.36Å; E155-A158 PolarHBondContact O-N 3.39Å; E155-A158 VanDerWaalsContact O-N 3.11Å; A158-G160 PolarHBondContact O-N 3.44Å
159N98.6Very high98.8Very high90 Ų9034.1 Ų34.148%0.48119%0.191SC..THydrogen-bonded Turntrans-79.71.7174-65.7-19.2000113.8A126 E155 C156 R157A126-N159 PolarHBondContact O-ND2 3.21Å; E155-N159 PolarHBondContact O-N 2.63Å; C156-N159 PolarHBondContact O-N 3.27Å; R157-N159 PolarHBondContact O-N 2.7Å
160G98.5Very high98.7Very high57 Ų5739 Ų3959%0.58821%0.209SC*.THydrogen-bonded Turntrans94.4-2.217800000115C156 R157 A158C156-G160 PolarHBondContact O-N 2.76Å; R157-G160 PolarHBondContact O-N 2.86Å; A158-G160 PolarHBondContact O-N 3.44Å
161G98.8Very high98.7Very high5 Ų542.5 Ų42.55%0.05223%0.232CC..  trans-66.2170.7171.600000112.7D129 C156D129-G161 WeakPolarHBondContact O-CA 3.39Å; C156-G161 WeakPolarHBondContact O-CA 3.17Å; C156-G161 PolarHBondContact O-N 2.96Å
162K98.9Very high98.6Very high90 Ų9050.1 Ų50.139%0.39125%0.251SS..EExtended strand (participates in β ladder)trans-125.8136.4-178.8-63.4-65.3169.7-158.50111.8D129 Y130 L131 D192D129-K162 PolarHBondContact O-N 2.89Å; Y130-K162 WeakPolarHBondContact CA-O 3.29Å; Y130-K162 HydrophobicContact CD1-CB 3.82Å; Y130-K162 HydrophobicContact CD1-CG 4.48Å; Y130-K162 HydrophobicContact CE1-CB 4.09Å; Y130-K162 HydrophobicContact CE1-CG 4.27Å; L131-K162 PolarHBondContact N-O 3.39Å; K162-D192 HydrophobicContact CB-CB 4.39Å; K162-D192 HydrophobicContact CD-CB 3.83Å; K162-D192 WeakPolarHBondContact CD-OD1 3.41Å; K162-D192 IonicContact NZ-OD1 3.74Å; K162-D192 PolarHBondContact NZ-OD1 3.15Å
163V99Very high98.5Very high0 Ų052.2 Ų52.20%026%0.262CS..EExtended strand (participates in β ladder)trans-103.4132.3179.4176.20000110.1L131 L133 L153 R157 M187 C190 D192 I193L131-V163 WeakPolarHBondContact O-CA 3.46Å; L133-V163 HydrophobicContact CD2-CG1 4.36Å; L153-V163 HydrophobicContact CB-CG2 4.04Å; L153-V163 HydrophobicContact CD1-CG1 4.21Å; L153-V163 HydrophobicContact CD2-CG1 4.05Å; L153-V163 HydrophobicContact CD2-CG2 3.96Å; L153-V163 HydrophobicContact CG-CG2 4.5Å; R157-V163 HydrophobicContact CG-CB 4.39Å; R157-V163 HydrophobicContact CG-CG2 3.62Å; V163-M187 HydrophobicContact CG1-CE 3.6Å; V163-C190 WeakPolarHBondContact CB-O 3.47Å; V163-C190 VanDerWaalsContact CG1-O 3.27Å; V163-C190 WeakPolarHBondContact CG1-O 3.48Å; V163-D192 PolarHBondContact N-OD2 2.64Å; V163-D192 WeakPolarHBondContact O-CA 3.43Å; V163-D192 PolarHBondContact O-N 3.29Å; V163-I193 PolarHBondContact O-N 2.86Å; V163-I193 VanDerWaalsContact O-N 3.08Å
164I99Very high98.5Very high0 Ų053.2 Ų53.20%027%0.266CS..EExtended strand (participates in β ladder)trans-122.5127-177.4-52.7160.2000108I5 Y130 L131 Y132 L133 I193 F195 L271 L275I5-I164 HydrophobicContact CD1-CD1 4.34Å; Y130-I164 HydrophobicContact CD1-CD1 4.3Å; L131-I164 PolarHBondContact O-N 2.88Å; Y132-I164 WeakPolarHBondContact CA-O 3.37Å; Y132-I164 HydrophobicContact CD2-CB 3.89Å; Y132-I164 HydrophobicContact CD2-CG2 3.48Å; Y132-I164 VanDerWaalsContact CD2-CG2 3.48Å; Y132-I164 HydrophobicContact CE2-CG2 3.96Å; L133-I164 PolarHBondContact N-O 3.1Å; L133-I164 VanDerWaalsContact N-O 3.1Å; I164-I193 CarbonylContact C-O 3.53Å; I164-I193 VanDerWaalsContact CA-O 3.28Å; I164-I193 WeakPolarHBondContact CA-O 3.45Å; I164-I193 HydrophobicContact CG1-CB 4.2Å; I164-I193 HydrophobicContact CG1-CD1 4.35Å; I164-I193 HydrophobicContact CG1-CG1 4.45Å; I164-I193 HydrophobicContact CG2-CB 4.19Å; I164-I193 HydrophobicContact CG2-CG2 4.42Å; I164-F195 HydrophobicContact CG2-CD2 3.88Å; I164-F195 HydrophobicContact CG2-CE2 3.63Å; I164-L271 HydrophobicContact CD1-CD1 4.22Å; I164-L271 HydrophobicContact CD1-CD2 3.83Å; I164-L271 HydrophobicContact CG2-CD1 4.25Å; I164-L271 HydrophobicContact CG2-CD2 4.29Å; I164-L275 HydrophobicContact CD1-CD1 4.18Å; I164-L275 HydrophobicContact CD1-CD2 4.39Å
165F99Very high98.4Very high0 Ų052.3 Ų52.30%028%0.282CS..EExtended strand (participates in β ladder)trans-122.1133.5-177.8-179.4-123.6000111L133 L138 N167 Y184 M187 L188 T191 I193 A194 F195L133-F165 WeakPolarHBondContact O-CA 3.38Å; L138-F165 HydrophobicContact CD1-CE2 3.71Å; L138-F165 HydrophobicContact CD1-CZ 4.16Å; F165-N167 HydrophobicContact CE1-CB 4.12Å; F165-Y184 HydrophobicContact CE1-CD2 4.15Å; F165-Y184 HydrophobicContact CE1-CE2 4.34Å; F165-Y184 HydrophobicContact CE1-CG 4.39Å; F165-Y184 HydrophobicContact CZ-CD1 4.11Å; F165-Y184 HydrophobicContact CZ-CD2 4.14Å; F165-Y184 AromaticContact CZ-CE1 3.97Å; F165-Y184 HydrophobicContact CZ-CE1 3.97Å; F165-Y184 HydrophobicContact CZ-CE2 4.05Å; F165-Y184 HydrophobicContact CZ-CG 4.21Å; F165-Y184 AromaticContact CZ-CZ 3.99Å; F165-M187 HydrophobicContact CB-CE 3.73Å; F165-M187 HydrophobicContact CB-CG 4.37Å; F165-M187 HydrophobicContact CD1-CG 4.02Å; F165-M187 HydrophobicContact CD2-CE 3.81Å; F165-M187 HydrophobicContact CD2-CG 3.58Å; F165-M187 HydrophobicContact CD2-SD 4.3Å; F165-M187 HydrophobicContact CE1-CG 4.18Å; F165-M187 HydrophobicContact CE2-CG 3.75Å; F165-M187 HydrophobicContact CG-CE 3.96Å; F165-M187 HydrophobicContact CG-CG 3.72Å; F165-M187 HydrophobicContact CZ-CG 4.05Å; F165-L188 HydrophobicContact CD1-CD2 3.96Å; F165-L188 HydrophobicContact CE1-CD2 4.41Å; F165-T191 HydrophobicContact CB-CG2 3.83Å; F165-I193 PolarHBondContact N-O 2.95Å; F165-A194 CarbonylContact O-C 3.51Å; F165-A194 WeakPolarHBondContact O-CA 3.02Å; F165-F195 PolarHBondContact O-N 2.95Å
166D99Very high98.4Very high2 Ų249.7 Ų49.71%0.01128%0.275CS..EExtended strand (participates in β ladder)trans-108.5122.4166.9-164.5-50.2000110Y132 L133 S134 G135 N168 F195 K228 S267Y132-D166 HydrophobicContact CE2-CB 4.36Å; Y132-D166 VanDerWaalsContact OH-CB 3.26Å; Y132-D166 WeakPolarHBondContact OH-CB 3.32Å; Y132-D166 PolarHBondContact OH-OD2 3.1Å; L133-D166 PolarHBondContact O-N 3.42Å; S134-D166 CarbonylContact C-O 3.58Å; S134-D166 WeakPolarHBondContact CA-O 3.35Å; G135-D166 PolarHBondContact N-O 2.89Å; D166-N168 PolarHBondContact O-N 3.23Å; D166-N168 PolarHBondContact OD1-N 3.45Å; D166-F195 WeakPolarHBondContact CA-O 3.37Å; D166-F195 HydrophobicContact CB-CB 4.2Å; D166-K228 IonicContact OD1-NZ 2.76Å; D166-K228 PolarHBondContact OD1-NZ 3.21Å; D166-K228 IonicContact OD2-NZ 3.04Å; D166-K228 PolarHBondContact OD2-NZ 2.96Å; D166-S267 PolarHBondContact OD2-OG 2.94Å
167N98.8Very high98.4Very high0 Ų053.4 Ų53.40%029%0.291CS..  trans-69.5-6.6-171.279.2-31.6000114.6F165 Y169 Y184 F195 L196 T197 E201F165-N167 HydrophobicContact CE1-CB 4.12Å; N167-Y169 WeakPolarHBondContact O-CA 3.4Å; N167-Y169 PolarHBondContact O-N 3.34Å; N167-Y184 HydrophobicContact CB-CE2 4.15Å; N167-Y184 VanDerWaalsContact O-CE2 3.27Å; N167-Y184 WeakPolarHBondContact O-CE2 3.36Å; N167-Y184 PolarHBondContact O-OH 2.9Å; N167-F195 PolarHBondContact N-O 3.35Å; N167-F195 PolarHBondContact OD1-O 3.01Å; N167-L196 HydrophobicContact CB-CD2 3.96Å; N167-T197 PolarHBondContact ND2-O 2.89Å; N167-T197 PolarHBondContact OD1-N 2.84Å; N167-E201 WeakPolarHBondContact ND2-CG 3.39Å; N167-E201 PolarHBondContact ND2-OE1 3.04Å
168N98.4Very high98.4Very high9 Ų954.9 Ų54.95%0.04830%0.301CS..  trans-16.791.8-177.9-163.610.2000114.8D29 D166 R170 D200D29-N168 VanDerWaalsContact CB-ND2 3.26Å; D29-N168 WeakPolarHBondContact CB-ND2 3.33Å; D29-N168 PolarHBondContact OD2-ND2 2.86Å; D166-N168 PolarHBondContact O-N 3.23Å; D166-N168 PolarHBondContact OD1-N 3.45Å; N168-R170 PolarHBondContact OD1-NH1 3.42Å; N168-R170 PolarHBondContact OD1-NH2 3.08Å; N168-D200 WeakPolarHBondContact CA-OD2 3.29Å
169Y98.6Very high98.4Very high20 Ų2052.9 Ų52.98%0.07828%0.277CS..  trans-92.3122.8-166.6175.9-132.3000111.1N167 P171 T180 D200 A203 L204N167-Y169 WeakPolarHBondContact O-CA 3.4Å; N167-Y169 PolarHBondContact O-N 3.34Å; Y169-P171 HydrophobicContact CE1-CB 4.25Å; Y169-P171 HydrophobicContact CE1-CG 4.26Å; Y169-P171 HydrophobicContact CE2-CB 4.14Å; Y169-T180 HydrophobicContact CD2-CG2 3.95Å; Y169-T180 HydrophobicContact CE2-CG2 3.79Å; Y169-D200 PolarHBondContact N-OD2 3.14Å; Y169-A203 HydrophobicContact CD1-CB 3.86Å; Y169-A203 HydrophobicContact CE1-CB 3.87Å; Y169-L204 HydrophobicContact CD1-CB 4.1Å; Y169-L204 HydrophobicContact CD2-CD1 4.49Å; Y169-L204 HydrophobicContact CE1-CB 4.09Å; Y169-L204 HydrophobicContact CE2-CD1 3.99Å; Y169-L204 HydrophobicContact CG-CB 4.39Å
170R97.6Very high98.4Very high104 Ų10448.6 Ų48.639%0.39226%0.255SS..  trans-127.989.7176.3-66.1-63178.6-80.6-9.5110I136 N168 R172 L173 W174I136-R170 HydrophobicContact CD1-CG 3.7Å; I136-R170 HydrophobicContact CG1-CB 4.46Å; I136-R170 HydrophobicContact CG1-CG 3.92Å; N168-R170 PolarHBondContact OD1-NH1 3.42Å; N168-R170 PolarHBondContact OD1-NH2 3.08Å; R170-R172 PolarHBondContact O-N 3.46Å; R170-L173 HydrophobicContact CB-CD1 3.93Å; R170-L173 HydrophobicContact CB-CG 4.09Å; R170-L173 PolarHBondContact O-N 2.92Å; R170-W174 VanDerWaalsContact O-CD1 3.31Å
171P97.8Very high98.5Very high73 Ų7348.3 Ų48.347%0.47424%0.238SC..G310 helixtrans-55-33.4-17215.6-29.5000113.8Y169 L173 W174Y169-P171 HydrophobicContact CE1-CB 4.25Å; Y169-P171 HydrophobicContact CE1-CG 4.26Å; Y169-P171 HydrophobicContact CE2-CB 4.14Å; P171-L173 PolarHBondContact O-N 3.29Å; P171-L173 VanDerWaalsContact O-N 3.11Å; P171-W174 PolarHBondContact O-N 2.99Å
172R96.7Very high98.4Very high224 Ų22454 Ų5485%0.84526%0.263SS*.G310 helixtrans-64.4-13.6180-63.4-172.3-179.3-1781.3114.5R170R170-R172 PolarHBondContact O-N 3.46Å
173L97.8Very high98.4Very high48 Ų4850.3 Ų50.325%0.25125%0.248SC..G310 helixtrans-92.5-6.4176.7-59.5-178.4000113.1I136 A139 R170 P171I136-L173 HydrophobicContact CB-CD1 4.47Å; I136-L173 HydrophobicContact CG1-CD1 4.27Å; I136-L173 HydrophobicContact CG2-CD1 3.91Å; A139-L173 HydrophobicContact CB-CB 3.61Å; A139-L173 HydrophobicContact CB-CD1 4.16Å; R170-L173 HydrophobicContact CB-CD1 3.93Å; R170-L173 HydrophobicContact CB-CG 4.09Å; R170-L173 PolarHBondContact O-N 2.92Å; P171-L173 PolarHBondContact O-N 3.29Å; P171-L173 VanDerWaalsContact O-N 3.11Å
174W98.4Very high98.4Very high20 Ų2050.3 Ų50.38%0.07625%0.248CC..SBendtrans-109.7150.5-177.4-63.192.7000110.7G135 L138 A139 R170 P171 S176 E179 T180 V183 Y184G135-W174 WeakPolarHBondContact O-CZ2 3.34Å; L138-W174 HydrophobicContact CB-CH2 3.94Å; L138-W174 HydrophobicContact CB-CZ2 4.23Å; A139-W174 HydrophobicContact CB-CD2 4.1Å; A139-W174 VanDerWaalsContact CB-CE2 3.42Å; A139-W174 HydrophobicContact CB-CH2 4.34Å; A139-W174 HydrophobicContact CB-CZ2 3.54Å; R170-W174 VanDerWaalsContact O-CD1 3.31Å; P171-W174 PolarHBondContact O-N 2.99Å; W174-S176 VanDerWaalsContact C-N 3.35Å; W174-E179 HydrophobicContact CE3-CG 4.08Å; W174-E179 HydrophobicContact CZ3-CG 4.41Å; W174-T180 VanDerWaalsContact CB-OG1 3.25Å; W174-T180 WeakPolarHBondContact CB-OG1 3.45Å; W174-T180 HydrophobicContact CD2-CG2 3.92Å; W174-T180 HydrophobicContact CE3-CG2 4.41Å; W174-T180 HydrophobicContact CG-CG2 4.25Å; W174-T180 HydrophobicContact CZ2-CG2 4.05Å; W174-V183 HydrophobicContact CH2-CB 3.92Å; W174-V183 HydrophobicContact CH2-CG1 3.72Å; W174-V183 HydrophobicContact CH2-CG2 4.42Å; W174-V183 HydrophobicContact CZ3-CB 3.83Å; W174-V183 HydrophobicContact CZ3-CG1 4.05Å; W174-V183 HydrophobicContact CZ3-CG2 3.9Å; W174-Y184 HydrophobicContact CH2-CD1 4.5Å; W174-Y184 HydrophobicContact CH2-CE1 4.14Å; W174-Y184 HydrophobicContact CZ2-CD1 4.41Å; W174-Y184 AromaticContact CZ2-CE1 3.65Å; W174-Y184 HydrophobicContact CZ2-CE1 3.65Å
175A97.9Very high98.4Very high93 Ų9354 Ų5477%0.76927%0.265SS*.SBendtrans-71-35.3176.100000111.3E179A175-E179 VanDerWaalsContact CB-OE2 3.27Å; A175-E179 WeakPolarHBondContact CB-OE2 3.5Å; A175-E179 PolarHBondContact N-OE2 3.16Å
176S98.5Very high98.4Very high48 Ų4856.8 Ų56.834%0.33628%0.278SS..  trans-156.3167172.487.30000112.2W174 E178 E179 T180W174-S176 VanDerWaalsContact C-N 3.35Å; S176-E178 VanDerWaalsContact C-N 3.28Å; S176-E178 WeakPolarHBondContact CB-OE2 3.49Å; S176-E178 PolarHBondContact O-N 2.98Å; S176-E178 PolarHBondContact OG-N 3.28Å; S176-E178 PolarHBondContact OG-OE2 3.2Å; S176-E179 PolarHBondContact O-N 2.94Å; S176-E179 PolarHBondContact OG-N 3.35Å; S176-T180 PolarHBondContact O-N 2.85Å; S176-T180 PolarHBondContact O-OG1 3.3Å
177K98.6Very high98.4Very high79 Ų7956.7 Ų56.734%0.34328%0.278SS..Hα-helixtrans-61.3-38.9174.5-174.9171.9179.7164.70111.3T180 Q181 A203 L204K177-T180 WeakPolarHBondContact O-CB 3.48Å; K177-T180 PolarHBondContact O-N 3.26Å; K177-Q181 VanDerWaalsContact O-CG 3.31Å; K177-Q181 WeakPolarHBondContact O-CG 3.34Å; K177-Q181 PolarHBondContact O-N 2.81Å; K177-A203 WeakPolarHBondContact CE-O 3.17Å; K177-A203 PolarHBondContact NZ-O 3.19Å; K177-L204 WeakPolarHBondContact CE-O 3.4Å; K177-L204 HydrophobicContact CG-CD1 4.18Å; K177-L204 PolarHBondContact NZ-O 2.84Å
178E98.7Very high98.4Very high105 Ų10557 Ų5749%0.49128%0.28SS..Hα-helixtrans-66-38.8179.7-58.169.1-149.900111.6S176 Q181 Q182S176-E178 VanDerWaalsContact C-N 3.28Å; S176-E178 WeakPolarHBondContact CB-OE2 3.49Å; S176-E178 PolarHBondContact O-N 2.98Å; S176-E178 PolarHBondContact OG-N 3.28Å; S176-E178 PolarHBondContact OG-OE2 3.2Å; E178-Q181 PolarHBondContact O-N 3Å; E178-Q182 VanDerWaalsContact O-CG 3.3Å; E178-Q182 WeakPolarHBondContact O-CG 3.48Å; E178-Q182 PolarHBondContact O-N 3.2Å
179E98.7Very high98.4Very high43 Ų4361.3 Ų61.320%0.20130%0.299CS..Hα-helixtrans-60-48.2172.2-175.6-165.1-16000110.5R146 W174 A175 S176 Q181 Q182 V183R146-E179 IonicContact CZ-OE1 3.14Å; R146-E179 IonicContact NH1-OE1 3.8Å; R146-E179 PolarHBondContact NH1-OE1 3.09Å; R146-E179 IonicContact NH2-OE1 3.6Å; W174-E179 HydrophobicContact CE3-CG 4.08Å; W174-E179 HydrophobicContact CZ3-CG 4.41Å; A175-E179 VanDerWaalsContact CB-OE2 3.27Å; A175-E179 WeakPolarHBondContact CB-OE2 3.5Å; A175-E179 PolarHBondContact N-OE2 3.16Å; S176-E179 PolarHBondContact O-N 2.94Å; S176-E179 PolarHBondContact OG-N 3.35Å; E179-Q181 VanDerWaalsContact C-N 3.34Å; E179-Q181 PolarHBondContact O-N 3.05Å; E179-Q182 PolarHBondContact O-N 3.11Å; E179-V183 WeakPolarHBondContact O-CG2 3.37Å; E179-V183 PolarHBondContact O-N 3.11Å
180T98.8Very high98.4Very high0 Ų060.4 Ų60.40%030%0.296CS..Hα-helixtrans-59.1-45.9178.2-460000111.4Y169 W174 S176 K177 Q182 V183 Y184 L204Y169-T180 HydrophobicContact CD2-CG2 3.95Å; Y169-T180 HydrophobicContact CE2-CG2 3.79Å; W174-T180 VanDerWaalsContact CB-OG1 3.25Å; W174-T180 WeakPolarHBondContact CB-OG1 3.45Å; W174-T180 HydrophobicContact CD2-CG2 3.92Å; W174-T180 HydrophobicContact CE3-CG2 4.41Å; W174-T180 HydrophobicContact CG-CG2 4.25Å; W174-T180 HydrophobicContact CZ2-CG2 4.05Å; S176-T180 PolarHBondContact O-N 2.85Å; S176-T180 PolarHBondContact O-OG1 3.3Å; K177-T180 WeakPolarHBondContact O-CB 3.48Å; K177-T180 PolarHBondContact O-N 3.26Å; T180-Q182 PolarHBondContact O-N 2.98Å; T180-V183 PolarHBondContact O-N 3.28Å; T180-Y184 HydrophobicContact CG2-CD1 3.88Å; T180-Y184 HydrophobicContact CG2-CE1 3.66Å; T180-Y184 HydrophobicContact CG2-CE2 4.28Å; T180-Y184 HydrophobicContact CG2-CG 4.29Å; T180-Y184 WeakPolarHBondContact O-CB 3.48Å; T180-Y184 WeakPolarHBondContact O-CD1 3.36Å; T180-Y184 PolarHBondContact O-N 3.05Å; T180-L204 HydrophobicContact CG2-CD1 3.61Å; T180-L204 HydrophobicContact CG2-CD2 3.85Å; T180-L204 HydrophobicContact CG2-CG 4.42Å
181Q98.8Very high98.5Very high52 Ų5255.5 Ų55.524%0.24328%0.278CS..Hα-helixtrans-59-45.1179-73.6177.6-17.400111.9K177 E178 E179 Y184 Q185 L204 W205K177-Q181 VanDerWaalsContact O-CG 3.31Å; K177-Q181 WeakPolarHBondContact O-CG 3.34Å; K177-Q181 PolarHBondContact O-N 2.81Å; E178-Q181 PolarHBondContact O-N 3Å; E179-Q181 VanDerWaalsContact C-N 3.34Å; E179-Q181 PolarHBondContact O-N 3.05Å; Q181-Y184 PolarHBondContact O-N 3.08Å; Q181-Q185 WeakPolarHBondContact O-CB 3.29Å; Q181-Q185 PolarHBondContact O-N 3.43Å; Q181-L204 HydrophobicContact CG-CD1 3.78Å; Q181-L204 HydrophobicContact CG-CG 4.21Å; Q181-L204 PolarHBondContact NE2-O 3.06Å; Q181-W205 HydrophobicContact CB-CE3 4.42Å; Q181-W205 HydrophobicContact CB-CH2 3.51Å; Q181-W205 HydrophobicContact CB-CZ2 4.23Å; Q181-W205 HydrophobicContact CB-CZ3 3.62Å; Q181-W205 HydrophobicContact CG-CD2 4.27Å; Q181-W205 HydrophobicContact CG-CE3 3.78Å; Q181-W205 HydrophobicContact CG-CH2 3.71Å; Q181-W205 HydrophobicContact CG-CZ2 4.17Å; Q181-W205 HydrophobicContact CG-CZ3 3.48Å; Q181-W205 VanDerWaalsContact CG-CZ3 3.48Å; Q181-W205 WeakPolarHBondContact O-CH2 3.45Å
182Q98.7Very high98.6Very high124 Ų12452.6 Ų52.658%0.57926%0.258SS*.Hα-helixtrans-62.8-45.8177.9-71.4170.91300111.8E178 E179 T180 Q185 Q186E178-Q182 VanDerWaalsContact O-CG 3.3Å; E178-Q182 WeakPolarHBondContact O-CG 3.48Å; E178-Q182 PolarHBondContact O-N 3.2Å; E179-Q182 PolarHBondContact O-N 3.11Å; T180-Q182 PolarHBondContact O-N 2.98Å; Q182-Q185 PolarHBondContact O-N 3.27Å; Q182-Q186 WeakPolarHBondContact O-CG 3.44Å; Q182-Q186 PolarHBondContact O-N 3.03Å
183V98.9Very high98.7Very high12 Ų1242.8 Ų42.87%0.07322%0.222CC..Hα-helixtrans-69.1-37.8-179.7175.20000111.5L138 W174 E179 T180 Q186 M187L138-V183 HydrophobicContact CB-CG1 4.23Å; L138-V183 HydrophobicContact CD1-CG1 4.09Å; W174-V183 HydrophobicContact CH2-CB 3.92Å; W174-V183 HydrophobicContact CH2-CG1 3.72Å; W174-V183 HydrophobicContact CH2-CG2 4.42Å; W174-V183 HydrophobicContact CZ3-CB 3.83Å; W174-V183 HydrophobicContact CZ3-CG1 4.05Å; W174-V183 HydrophobicContact CZ3-CG2 3.9Å; E179-V183 WeakPolarHBondContact O-CG2 3.37Å; E179-V183 PolarHBondContact O-N 3.11Å; T180-V183 PolarHBondContact O-N 3.28Å; V183-Q186 PolarHBondContact O-N 3.46Å; V183-M187 WeakPolarHBondContact O-CB 3.34Å; V183-M187 PolarHBondContact O-N 2.86Å
184Y98.8Very high98.7Very high1 Ų140.5 Ų40.50%0.00421%0.21CC..Hα-helixtrans-68.7-38.2177.1-8331000111.3G135 F165 N167 W174 T180 Q181 Q186 M187 L188 L204G135-Y184 WeakPolarHBondContact CA-OH 3.37Å; F165-Y184 HydrophobicContact CE1-CD2 4.15Å; F165-Y184 HydrophobicContact CE1-CE2 4.34Å; F165-Y184 HydrophobicContact CE1-CG 4.39Å; F165-Y184 HydrophobicContact CZ-CD1 4.11Å; F165-Y184 HydrophobicContact CZ-CD2 4.14Å; F165-Y184 AromaticContact CZ-CE1 3.97Å; F165-Y184 HydrophobicContact CZ-CE1 3.97Å; F165-Y184 HydrophobicContact CZ-CE2 4.05Å; F165-Y184 HydrophobicContact CZ-CG 4.21Å; F165-Y184 AromaticContact CZ-CZ 3.99Å; N167-Y184 HydrophobicContact CB-CE2 4.15Å; N167-Y184 VanDerWaalsContact O-CE2 3.27Å; N167-Y184 WeakPolarHBondContact O-CE2 3.36Å; N167-Y184 PolarHBondContact O-OH 2.9Å; W174-Y184 HydrophobicContact CH2-CD1 4.5Å; W174-Y184 HydrophobicContact CH2-CE1 4.14Å; W174-Y184 HydrophobicContact CZ2-CD1 4.41Å; W174-Y184 AromaticContact CZ2-CE1 3.65Å; W174-Y184 HydrophobicContact CZ2-CE1 3.65Å; T180-Y184 HydrophobicContact CG2-CD1 3.88Å; T180-Y184 HydrophobicContact CG2-CE1 3.66Å; T180-Y184 HydrophobicContact CG2-CE2 4.28Å; T180-Y184 HydrophobicContact CG2-CG 4.29Å; T180-Y184 WeakPolarHBondContact O-CB 3.48Å; T180-Y184 WeakPolarHBondContact O-CD1 3.36Å; T180-Y184 PolarHBondContact O-N 3.05Å; Q181-Y184 PolarHBondContact O-N 3.08Å; Y184-Q186 PolarHBondContact O-N 3.44Å; Y184-M187 PolarHBondContact O-N 3.28Å; Y184-L188 WeakPolarHBondContact O-CB 3.47Å; Y184-L188 VanDerWaalsContact O-CG 3.26Å; Y184-L188 WeakPolarHBondContact O-CG 3.42Å; Y184-L188 PolarHBondContact O-N 3.41Å; Y184-L204 HydrophobicContact CD2-CD2 3.24Å; Y184-L204 HydrophobicContact CE2-CD2 3.47Å; Y184-L204 VanDerWaalsContact CE2-CD2 3.47Å; Y184-L204 HydrophobicContact CG-CD2 3.95Å
185Q98.8Very high98.8Very high77 Ų7739.5 Ų39.536%0.3621%0.207SC..Hα-helixtrans-57.5-48.9173.5-178.26039.900111.2Q181 Q182 M187 L188 E189Q181-Q185 WeakPolarHBondContact O-CB 3.29Å; Q181-Q185 PolarHBondContact O-N 3.43Å; Q182-Q185 PolarHBondContact O-N 3.27Å; Q185-M187 VanDerWaalsContact C-N 3.33Å; Q185-M187 PolarHBondContact O-N 3.25Å; Q185-L188 PolarHBondContact O-N 3.11Å; Q185-E189 PolarHBondContact NE2-OE1 3.27Å; Q185-E189 WeakPolarHBondContact O-CG 3.34Å; Q185-E189 PolarHBondContact O-N 3.08Å; Q185-E189 VanDerWaalsContact O-N 3.15Å
186Q98.8Very high98.8Very high58 Ų5835.1 Ų35.127%0.27117%0.17SC..Hα-helixtrans-63.1-37.9176.6-65.1171.619.700112.7L150 Q182 V183 Y184 C190L150-Q186 HydrophobicContact CD1-CB 3.92Å; L150-Q186 HydrophobicContact CD2-CB 4.39Å; Q182-Q186 WeakPolarHBondContact O-CG 3.44Å; Q182-Q186 PolarHBondContact O-N 3.03Å; V183-Q186 PolarHBondContact O-N 3.46Å; Y184-Q186 PolarHBondContact O-N 3.44Å; Q186-C190 PolarHBondContact O-N 3Å; Q186-C190 PolarHBondContact O-SG 3.24Å
187M98.9Very high98.8Very high0 Ų034.3 Ų34.30%016%0.163CC..Hα-helixtrans-66-44.9177.4-178.162.4-154.900111.7L133 L138 L150 L153 V163 F165 V183 Y184 Q185 E189 C190 T191L133-M187 HydrophobicContact CD1-CE 3.94Å; L133-M187 HydrophobicContact CD1-SD 3.95Å; L133-M187 HydrophobicContact CD2-CE 3.59Å; L133-M187 HydrophobicContact CG-CE 3.81Å; L133-M187 HydrophobicContact CG-SD 4.45Å; L138-M187 HydrophobicContact CD1-CB 3.89Å; L138-M187 HydrophobicContact CD1-CG 3.76Å; L138-M187 HydrophobicContact CD1-SD 4.11Å; L138-M187 HydrophobicContact CD2-SD 4.47Å; L150-M187 HydrophobicContact CD2-SD 4.31Å; L153-M187 HydrophobicContact CD1-CE 3.64Å; L153-M187 HydrophobicContact CD1-SD 3.49Å; L153-M187 WeakPolarHBondContact CD1-SD 3.36Å; V163-M187 HydrophobicContact CG1-CE 3.6Å; F165-M187 HydrophobicContact CB-CE 3.73Å; F165-M187 HydrophobicContact CB-CG 4.37Å; F165-M187 HydrophobicContact CD1-CG 4.02Å; F165-M187 HydrophobicContact CD2-CE 3.81Å; F165-M187 HydrophobicContact CD2-CG 3.58Å; F165-M187 HydrophobicContact CD2-SD 4.3Å; F165-M187 HydrophobicContact CE1-CG 4.18Å; F165-M187 HydrophobicContact CE2-CG 3.75Å; F165-M187 HydrophobicContact CG-CE 3.96Å; F165-M187 HydrophobicContact CG-CG 3.72Å; F165-M187 HydrophobicContact CZ-CG 4.05Å; V183-M187 WeakPolarHBondContact O-CB 3.34Å; V183-M187 PolarHBondContact O-N 2.86Å; Y184-M187 PolarHBondContact O-N 3.28Å; Q185-M187 VanDerWaalsContact C-N 3.33Å; Q185-M187 PolarHBondContact O-N 3.25Å; M187-E189 VanDerWaalsContact C-N 3.3Å; M187-E189 PolarHBondContact O-N 3.22Å; M187-C190 CarbonylContact O-C 3.54Å; M187-C190 WeakPolarHBondContact O-CA 3.43Å; M187-C190 WeakPolarHBondContact O-CB 3.38Å; M187-C190 PolarHBondContact O-N 2.94Å; M187-T191 WeakPolarHBondContact CE-OG1 3.45Å; M187-T191 PolarHBondContact O-N 2.54Å; M187-T191 PolarHBondContact O-OG1 3.4Å
188L98.9Very high98.8Very high8 Ų831.9 Ų31.94%0.04215%0.154CC..Hα-helixtrans-63.8-36.3179.6-70.5175.7000111.7F165 Y184 Q185 C190 T191 A194 T217 A220 V222F165-L188 HydrophobicContact CD1-CD2 3.96Å; F165-L188 HydrophobicContact CE1-CD2 4.41Å; Y184-L188 WeakPolarHBondContact O-CB 3.47Å; Y184-L188 VanDerWaalsContact O-CG 3.26Å; Y184-L188 WeakPolarHBondContact O-CG 3.42Å; Y184-L188 PolarHBondContact O-N 3.41Å; Q185-L188 PolarHBondContact O-N 3.11Å; L188-C190 PolarHBondContact O-N 3.39Å; L188-T191 WeakPolarHBondContact O-CB 3.31Å; L188-T191 PolarHBondContact O-N 3.32Å; L188-A194 HydrophobicContact CD2-CB 4.2Å; L188-T217 HydrophobicContact CD2-CG2 4.08Å; L188-A220 HydrophobicContact CB-CB 3.82Å; L188-V222 HydrophobicContact CB-CG2 4.35Å; L188-V222 HydrophobicContact CD2-CG2 4.17Å; L188-V222 WeakPolarHBondContact O-CG2 3.42Å
189E98.7Very high98.8Very high98 Ų9832.5 Ų32.546%0.45816%0.16SC..Hα-helixtrans-61.4-23.7171.5-70.3166.2-165.200113.2R157 Q185 M187 A220R157-E189 PolarHBondContact NH1-O 3.1Å; Q185-E189 PolarHBondContact NE2-OE1 3.27Å; Q185-E189 WeakPolarHBondContact O-CG 3.34Å; Q185-E189 PolarHBondContact O-N 3.08Å; Q185-E189 VanDerWaalsContact O-N 3.15Å; M187-E189 VanDerWaalsContact C-N 3.3Å; M187-E189 PolarHBondContact O-N 3.22Å; E189-A220 WeakPolarHBondContact CA-O 3.3Å
190C98.7Very high98.8Very high2 Ų231.6 Ų31.61%0.01416%0.157CC..THydrogen-bonded Turntrans-99.310.2177-58.60000113.5L150 L153 R157 V163 Q186 M187 L188L150-C190 HydrophobicContact CD2-CB 4.47Å; L153-C190 HydrophobicContact CB-CB 4.26Å; L153-C190 HydrophobicContact CD1-CB 4.48Å; R157-C190 WeakPolarHBondContact CD-O 3.39Å; V163-C190 WeakPolarHBondContact CB-O 3.47Å; V163-C190 VanDerWaalsContact CG1-O 3.27Å; V163-C190 WeakPolarHBondContact CG1-O 3.48Å; Q186-C190 PolarHBondContact O-N 3Å; Q186-C190 PolarHBondContact O-SG 3.24Å; M187-C190 CarbonylContact O-C 3.54Å; M187-C190 WeakPolarHBondContact O-CA 3.43Å; M187-C190 WeakPolarHBondContact O-CB 3.38Å; M187-C190 PolarHBondContact O-N 2.94Å; L188-C190 PolarHBondContact O-N 3.39Å
191T98.9Very high98.8Very high0 Ų031.7 Ų31.70%016%0.158CC..  trans-110.9140.8-170.5-64.90000112.9F165 M187 L188 I193 A194 V222F165-T191 HydrophobicContact CB-CG2 3.83Å; M187-T191 WeakPolarHBondContact CE-OG1 3.45Å; M187-T191 PolarHBondContact O-N 2.54Å; M187-T191 PolarHBondContact O-OG1 3.4Å; L188-T191 WeakPolarHBondContact O-CB 3.31Å; L188-T191 PolarHBondContact O-N 3.32Å; T191-I193 VanDerWaalsContact CG2-C 3.43Å; T191-I193 WeakPolarHBondContact CG2-O 3.43Å; T191-A194 HydrophobicContact CG2-CB 4.11Å; T191-V222 HydrophobicContact CG2-CG1 4.21Å; T191-V222 HydrophobicContact CG2-CG2 4.1Å
192D98.9Very high98.8Very high13 Ų1331 Ų317%0.0716%0.156CC..SBendtrans-98.7-40.2171-66.1-93.1000112.1R157 K162 V163 V222 K223 E224R157-D192 WeakPolarHBondContact CD-OD2 3.45Å; R157-D192 IonicContact CZ-OD2 2.98Å; R157-D192 IonicContact NE-OD1 3.85Å; R157-D192 IonicContact NE-OD2 3.59Å; R157-D192 PolarHBondContact NE-OD2 3.42Å; R157-D192 IonicContact NH2-OD1 3.34Å; K162-D192 HydrophobicContact CB-CB 4.39Å; K162-D192 HydrophobicContact CD-CB 3.83Å; K162-D192 WeakPolarHBondContact CD-OD1 3.41Å; K162-D192 IonicContact NZ-OD1 3.74Å; K162-D192 PolarHBondContact NZ-OD1 3.15Å; V163-D192 PolarHBondContact N-OD2 2.64Å; V163-D192 WeakPolarHBondContact O-CA 3.43Å; V163-D192 PolarHBondContact O-N 3.29Å; D192-V222 WeakPolarHBondContact O-CG1 3.19Å; D192-K223 PolarHBondContact O-N 3.26Å; D192-K223 VanDerWaalsContact O-N 3.14Å; D192-E224 PolarHBondContact O-N 3.46Å
193I99Very high98.8Very high17 Ų1727.5 Ų27.59%0.08715%0.148CC..EExtended strand (participates in β ladder)trans-124.4122.5177.5-49.7-176.6000109.8V163 I164 F165 T191 F195 E224 V226V163-I193 PolarHBondContact O-N 2.86Å; V163-I193 VanDerWaalsContact O-N 3.08Å; I164-I193 CarbonylContact C-O 3.53Å; I164-I193 VanDerWaalsContact CA-O 3.28Å; I164-I193 WeakPolarHBondContact CA-O 3.45Å; I164-I193 HydrophobicContact CG1-CB 4.2Å; I164-I193 HydrophobicContact CG1-CD1 4.35Å; I164-I193 HydrophobicContact CG1-CG1 4.45Å; I164-I193 HydrophobicContact CG2-CB 4.19Å; I164-I193 HydrophobicContact CG2-CG2 4.42Å; F165-I193 PolarHBondContact N-O 2.95Å; T191-I193 VanDerWaalsContact CG2-C 3.43Å; T191-I193 WeakPolarHBondContact CG2-O 3.43Å; I193-F195 HydrophobicContact CG2-CE2 4.34Å; I193-E224 CarbonylContact C-O 3.35Å; I193-E224 VanDerWaalsContact CA-O 3.26Å; I193-E224 WeakPolarHBondContact CA-O 3.44Å; I193-E224 HydrophobicContact CG1-CB 4.17Å; I193-E224 HydrophobicContact CG2-CB 4.33Å; I193-E224 HydrophobicContact CG2-CG 4.26Å; I193-V226 HydrophobicContact CG2-CG2 4.34Å
194A99Very high98.8Very high0 Ų027 Ų270%014%0.144CC..EExtended strand (participates in β ladder)trans-113.9122177.200000111.5F165 L188 T191 L196 T217 V222 E224 V226F165-A194 CarbonylContact O-C 3.51Å; F165-A194 WeakPolarHBondContact O-CA 3.02Å; L188-A194 HydrophobicContact CD2-CB 4.2Å; T191-A194 HydrophobicContact CG2-CB 4.11Å; A194-L196 HydrophobicContact CB-CD2 4.08Å; A194-L196 HydrophobicContact CB-CG 4.35Å; A194-T217 HydrophobicContact CB-CG2 4.07Å; A194-V222 HydrophobicContact CB-CG1 3.83Å; A194-V222 HydrophobicContact CB-CG2 4.47Å; A194-E224 PolarHBondContact N-O 2.81Å; A194-V226 PolarHBondContact O-N 2.89Å
195F99Very high98.7Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-88.5114.9164.6-68.5-83.8000109.3Y132 I164 F165 D166 N167 I193 V226 K228 F266 Y270 L271Y132-F195 HydrophobicContact CE2-CD2 4.3Å; Y132-F195 HydrophobicContact CE2-CE2 4.39Å; I164-F195 HydrophobicContact CG2-CD2 3.88Å; I164-F195 HydrophobicContact CG2-CE2 3.63Å; F165-F195 PolarHBondContact O-N 2.95Å; D166-F195 WeakPolarHBondContact CA-O 3.37Å; D166-F195 HydrophobicContact CB-CB 4.2Å; N167-F195 PolarHBondContact N-O 3.35Å; N167-F195 PolarHBondContact OD1-O 3.01Å; I193-F195 HydrophobicContact CG2-CE2 4.34Å; F195-V226 CarbonylContact C-O 3.49Å; F195-V226 WeakPolarHBondContact CA-O 3.46Å; F195-V226 HydrophobicContact CD1-CB 3.73Å; F195-V226 HydrophobicContact CD1-CG1 3.66Å; F195-V226 HydrophobicContact CD1-CG2 4.36Å; F195-V226 HydrophobicContact CE1-CB 3.96Å; F195-V226 HydrophobicContact CE1-CG1 3.73Å; F195-V226 HydrophobicContact CE1-CG2 4.16Å; F195-V226 HydrophobicContact CG-CB 4.45Å; F195-K228 HydrophobicContact CD1-CD 4.5Å; F195-F266 HydrophobicContact CD1-CE1 4.48Å; F195-F266 HydrophobicContact CE1-CD1 4.48Å; F195-F266 HydrophobicContact CE1-CE1 4.32Å; F195-Y270 AromaticContact CE1-CD1 3.79Å; F195-Y270 HydrophobicContact CE1-CD1 3.79Å; F195-Y270 HydrophobicContact CE1-CD2 4.27Å; F195-Y270 HydrophobicContact CE1-CE1 4.44Å; F195-Y270 AromaticContact CE1-CG 3.68Å; F195-Y270 HydrophobicContact CE1-CG 3.68Å; F195-Y270 AromaticContact CZ-CD1 3.48Å; F195-Y270 HydrophobicContact CZ-CD1 3.48Å; F195-Y270 VanDerWaalsContact CZ-CD1 3.48Å; F195-Y270 HydrophobicContact CZ-CE1 4.2Å; F195-Y270 AromaticContact CZ-CG 3.82Å; F195-Y270 HydrophobicContact CZ-CG 3.82Å; F195-L271 HydrophobicContact CE2-CD1 4.09Å; F195-L271 HydrophobicContact CE2-CD2 3.9Å; F195-L271 HydrophobicContact CE2-CG 3.94Å; F195-L271 HydrophobicContact CZ-CD1 4.48Å; F195-L271 HydrophobicContact CZ-CD2 3.94Å; F195-L271 HydrophobicContact CZ-CG 3.89Å
196L98.9Very high98.7Very high0 Ų027.7 Ų27.70%015%0.152CC..EExtended strand (participates in β ladder)trans-113.7107.1-178.9-54.7-176000109.3N167 A194 L198 E201 V213 T217 V225 V226 V227 K228N167-L196 HydrophobicContact CB-CD2 3.96Å; A194-L196 HydrophobicContact CB-CD2 4.08Å; A194-L196 HydrophobicContact CB-CG 4.35Å; L196-L198 PolarHBondContact O-N 3.08Å; L196-E201 HydrophobicContact CB-CG 4.1Å; L196-V213 HydrophobicContact CD1-CG1 3.79Å; L196-T217 HydrophobicContact CD1-CG2 4.19Å; L196-V225 HydrophobicContact CD1-CG1 3.65Å; L196-V225 HydrophobicContact CG-CG1 4.21Å; L196-V226 PolarHBondContact N-O 2.75Å; L196-V227 CarbonylContact O-C 3.49Å; L196-V227 WeakPolarHBondContact O-CA 3.49Å; L196-K228 PolarHBondContact O-N 2.81Å
197T98.7Very high98.7Very high31 Ų3132.8 Ų32.819%0.1918%0.176CC..EExtended strand (participates in β ladder)trans-69.4119.6162.4-51.10000107.9N167 D199 D200 E201 K228N167-T197 PolarHBondContact ND2-O 2.89Å; N167-T197 PolarHBondContact OD1-N 2.84Å; T197-D199 PolarHBondContact O-N 3.15Å; T197-D200 HydrophobicContact CG2-CB 4.47Å; T197-D200 WeakPolarHBondContact O-CB 3.43Å; T197-D200 PolarHBondContact O-N 3.08Å; T197-D200 VanDerWaalsContact O-N 3.12Å; T197-E201 PolarHBondContact O-N 3.12Å; T197-E201 VanDerWaalsContact O-N 3.09Å; T197-K228 WeakPolarHBondContact OG1-CE 3.44Å; T197-K228 PolarHBondContact OG1-NZ 2.96Å
198L98.7Very high98.7Very high28 Ų2837.2 Ų37.215%0.14720%0.196CC..Hα-helixtrans-64.8-39.7-171.3-171.660.6000112.5L196 D200 E201 D202 V210 V213 V227 K228 R229L196-L198 PolarHBondContact O-N 3.08Å; L198-D200 PolarHBondContact O-N 3.26Å; L198-E201 WeakPolarHBondContact O-CB 3.2Å; L198-E201 PolarHBondContact O-N 3.11Å; L198-E201 VanDerWaalsContact O-N 3.09Å; L198-D202 PolarHBondContact O-N 3.43Å; L198-V210 HydrophobicContact CD1-CG2 4.25Å; L198-V210 HydrophobicContact CD2-CB 4.41Å; L198-V210 HydrophobicContact CD2-CG2 4.31Å; L198-V213 HydrophobicContact CD1-CG2 4.09Å; L198-V227 HydrophobicContact CB-CG1 4.06Å; L198-V227 HydrophobicContact CD1-CG1 4.33Å; L198-K228 PolarHBondContact N-O 2.9Å; L198-R229 HydrophobicContact CB-CG 4.17Å; L198-R229 HydrophobicContact CD2-CG 4.01Å
199D98.2Very high98.6Very high118 Ų11839.9 Ų39.963%0.63122%0.215SC*.Hα-helixtrans-60.7-34175.3-64.8-6.8000112.2T197 D202 A203T197-D199 PolarHBondContact O-N 3.15Å; D199-D202 PolarHBondContact O-N 3.34Å; D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.84Å
200D98.6Very high98.6Very high25 Ų2536.1 Ų36.113%0.13420%0.198CC..Hα-helixtrans-71-38.3176.5-72.21.2000110.7N168 Y169 T197 L198 A203 L204N168-D200 WeakPolarHBondContact CA-OD2 3.29Å; Y169-D200 PolarHBondContact N-OD2 3.14Å; T197-D200 HydrophobicContact CG2-CB 4.47Å; T197-D200 WeakPolarHBondContact O-CB 3.43Å; T197-D200 PolarHBondContact O-N 3.08Å; T197-D200 VanDerWaalsContact O-N 3.12Å; L198-D200 PolarHBondContact O-N 3.26Å; D200-A203 PolarHBondContact O-N 3.31Å; D200-L204 WeakPolarHBondContact O-CB 3.37Å; D200-L204 PolarHBondContact O-N 2.81Å
201E98.8Very high98.6Very high2 Ų242 Ų421%0.00923%0.225CC..Hα-helixtrans-64.6-41.7173-71-63.599.200111.6N167 L196 T197 L198 A203 L204 W205 V213 R216N167-E201 WeakPolarHBondContact ND2-CG 3.39Å; N167-E201 PolarHBondContact ND2-OE1 3.04Å; L196-E201 HydrophobicContact CB-CG 4.1Å; T197-E201 PolarHBondContact O-N 3.12Å; T197-E201 VanDerWaalsContact O-N 3.09Å; L198-E201 WeakPolarHBondContact O-CB 3.2Å; L198-E201 PolarHBondContact O-N 3.11Å; L198-E201 VanDerWaalsContact O-N 3.09Å; E201-A203 VanDerWaalsContact C-N 3.35Å; E201-L204 PolarHBondContact O-N 2.98Å; E201-W205 WeakPolarHBondContact O-CB 3.38Å; E201-W205 PolarHBondContact O-N 2.97Å; E201-V213 HydrophobicContact CB-CG1 4.34Å; E201-V213 HydrophobicContact CG-CG1 3.92Å; E201-R216 IonicContact OE2-CZ 3.6Å; E201-R216 IonicContact OE2-NE 3.69Å; E201-R216 IonicContact OE2-NH2 2.68Å; E201-R216 PolarHBondContact OE2-NH2 2.99Å
202D98.6Very high98.6Very high38 Ų3845.9 Ų45.920%0.20325%0.246CC..Hα-helixtrans-63.1-42.9176.1-74.3-10.8000110.9L198 D199 G206 Q207L198-D202 PolarHBondContact O-N 3.43Å; D199-D202 PolarHBondContact O-N 3.34Å; D202-G206 CarbonylContact O-C 3.58Å; D202-G206 WeakPolarHBondContact O-CA 3.24Å; D202-G206 PolarHBondContact O-N 3.36Å; D202-Q207 WeakPolarHBondContact OD1-CA 3.42Å
203A98.5Very high98.6Very high50 Ų5045.3 Ų45.341%0.41324%0.243SC..Hα-helixtrans-65-39.5177.100000112.5Y169 K177 D199 D200 E201Y169-A203 HydrophobicContact CD1-CB 3.86Å; Y169-A203 HydrophobicContact CE1-CB 3.87Å; K177-A203 WeakPolarHBondContact CE-O 3.17Å; K177-A203 PolarHBondContact NZ-O 3.19Å; D199-A203 WeakPolarHBondContact O-CB 3.34Å; D199-A203 PolarHBondContact O-N 2.84Å; D200-A203 PolarHBondContact O-N 3.31Å; E201-A203 VanDerWaalsContact C-N 3.35Å
204L98.7Very high98.6Very high0 Ų045.2 Ų45.20%024%0.243CC..Hα-helixtrans-85.9-34.2-175.9-179.658.6000114.2Y169 K177 T180 Q181 Y184 D200 E201Y169-L204 HydrophobicContact CD1-CB 4.1Å; Y169-L204 HydrophobicContact CD2-CD1 4.49Å; Y169-L204 HydrophobicContact CE1-CB 4.09Å; Y169-L204 HydrophobicContact CE2-CD1 3.99Å; Y169-L204 HydrophobicContact CG-CB 4.39Å; K177-L204 WeakPolarHBondContact CE-O 3.4Å; K177-L204 HydrophobicContact CG-CD1 4.18Å; K177-L204 PolarHBondContact NZ-O 2.84Å; T180-L204 HydrophobicContact CG2-CD1 3.61Å; T180-L204 HydrophobicContact CG2-CD2 3.85Å; T180-L204 HydrophobicContact CG2-CG 4.42Å; Q181-L204 HydrophobicContact CG-CD1 3.78Å; Q181-L204 HydrophobicContact CG-CG 4.21Å; Q181-L204 PolarHBondContact NE2-O 3.06Å; Y184-L204 HydrophobicContact CD2-CD2 3.24Å; Y184-L204 HydrophobicContact CE2-CD2 3.47Å; Y184-L204 VanDerWaalsContact CE2-CD2 3.47Å; Y184-L204 HydrophobicContact CG-CD2 3.95Å; D200-L204 WeakPolarHBondContact O-CB 3.37Å; D200-L204 PolarHBondContact O-N 2.81Å; E201-L204 PolarHBondContact O-N 2.98Å
205W98.5Very high98.6Very high67 Ų6747.3 Ų47.325%0.25426%0.26SS..Hα-helixtrans-116.3-5.3-173.9-58.6102.4000113.4Q181 E201Q181-W205 HydrophobicContact CB-CE3 4.42Å; Q181-W205 HydrophobicContact CB-CH2 3.51Å; Q181-W205 HydrophobicContact CB-CZ2 4.23Å; Q181-W205 HydrophobicContact CB-CZ3 3.62Å; Q181-W205 HydrophobicContact CG-CD2 4.27Å; Q181-W205 HydrophobicContact CG-CE3 3.78Å; Q181-W205 HydrophobicContact CG-CH2 3.71Å; Q181-W205 HydrophobicContact CG-CZ2 4.17Å; Q181-W205 HydrophobicContact CG-CZ3 3.48Å; Q181-W205 VanDerWaalsContact CG-CZ3 3.48Å; Q181-W205 WeakPolarHBondContact O-CH2 3.45Å; E201-W205 WeakPolarHBondContact O-CB 3.38Å; E201-W205 PolarHBondContact O-N 2.97Å
206G98.4Very high98.5Very high26 Ų2650.6 Ų50.627%0.26827%0.272SS..  trans83.4152.2-167.500000110.7D202 Q208D202-G206 CarbonylContact O-C 3.58Å; D202-G206 WeakPolarHBondContact O-CA 3.24Å; D202-G206 PolarHBondContact O-N 3.36Å; G206-Q208 PolarHBondContact O-N 2.75Å
207Q98.3Very high98.5Very high166 Ų16650.6 Ų50.678%0.77627%0.272SS*.SBendtrans-63124.9-178.1-169.3176.6-4.100111D202D202-Q207 WeakPolarHBondContact OD1-CA 3.42Å
208Q97.9Very high98.5Very high92 Ų9251 Ų5143%0.4327%0.272SS..  trans-136.1159.2179.6-66-65.9-20.300109.8G206 D212 V213G206-Q208 PolarHBondContact O-N 2.75Å; Q208-D212 HydrophobicContact CB-CB 4.5Å; Q208-V213 HydrophobicContact CB-CG2 4.38Å
209P98.4Very high98.5Very high65 Ų6556.3 Ų56.342%0.42230%0.3SS..  trans-53.1141.6166.6-23.434.1000111.3E211 D212 V213P209-E211 WeakPolarHBondContact CB-OE2 3.27Å; P209-E211 PolarHBondContact O-N 2.95Å; P209-D212 WeakPolarHBondContact CD-OD2 3.27Å; P209-D212 WeakPolarHBondContact O-CB 3.38Å; P209-D212 PolarHBondContact O-N 2.91Å; P209-V213 PolarHBondContact O-N 3.37Å
210V98.5Very high98.5Very high19 Ų1951.4 Ų51.412%0.11528%0.276CS..Hα-helixtrans-63.3-28.1-178.766.50000111.7L198 D212 V213 I214 V227 L235L198-V210 HydrophobicContact CD1-CG2 4.25Å; L198-V210 HydrophobicContact CD2-CB 4.41Å; L198-V210 HydrophobicContact CD2-CG2 4.31Å; V210-D212 VanDerWaalsContact C-N 3.32Å; V210-D212 PolarHBondContact O-N 3.43Å; V210-V213 PolarHBondContact O-N 3.08Å; V210-I214 HydrophobicContact CG2-CD1 4.25Å; V210-I214 WeakPolarHBondContact O-CG1 3.43Å; V210-I214 PolarHBondContact O-N 3.48Å; V210-V227 HydrophobicContact CG2-CG1 3.98Å; V210-V227 HydrophobicContact CG2-CG2 4.31Å; V210-L235 HydrophobicContact CG1-CD1 4.02Å; V210-L235 HydrophobicContact CG2-CD1 3.85Å
211E98.3Very high98.5Very high125 Ų12552.4 Ų52.458%0.58429%0.293SS*.Hα-helixtrans-62.1-39.8173.5-60.178.3-17300111.5P209 I214 A215P209-E211 WeakPolarHBondContact CB-OE2 3.27Å; P209-E211 PolarHBondContact O-N 2.95Å; E211-I214 PolarHBondContact O-N 3.16Å; E211-A215 VanDerWaalsContact O-CB 3.26Å; E211-A215 WeakPolarHBondContact O-CB 3.42Å; E211-A215 PolarHBondContact O-N 3.34Å
212D98.6Very high98.5Very high82 Ų8252.5 Ų52.544%0.43929%0.293SS..Hα-helixtrans-72.7-35.3178-69-18.4000111.3Q208 P209 V210 A215 R216Q208-D212 HydrophobicContact CB-CB 4.5Å; P209-D212 WeakPolarHBondContact CD-OD2 3.27Å; P209-D212 WeakPolarHBondContact O-CB 3.38Å; P209-D212 PolarHBondContact O-N 2.91Å; V210-D212 VanDerWaalsContact C-N 3.32Å; V210-D212 PolarHBondContact O-N 3.43Å; D212-A215 PolarHBondContact O-N 3.27Å; D212-R216 WeakPolarHBondContact O-CB 3.24Å; D212-R216 WeakPolarHBondContact O-CG 3.33Å; D212-R216 PolarHBondContact O-N 2.72Å
213V98.8Very high98.5Very high0 Ų056.9 Ų56.90%031%0.31CS..Hα-helixtrans-61.7-47.3171.7178.30000110.6L196 L198 E201 Q208 P209 V210 R216 T217L196-V213 HydrophobicContact CD1-CG1 3.79Å; L198-V213 HydrophobicContact CD1-CG2 4.09Å; E201-V213 HydrophobicContact CB-CG1 4.34Å; E201-V213 HydrophobicContact CG-CG1 3.92Å; Q208-V213 HydrophobicContact CB-CG2 4.38Å; P209-V213 PolarHBondContact O-N 3.37Å; V210-V213 PolarHBondContact O-N 3.08Å; V213-R216 VanDerWaalsContact O-CG 3.32Å; V213-R216 WeakPolarHBondContact O-CG 3.44Å; V213-T217 WeakPolarHBondContact O-CB 3.4Å; V213-T217 PolarHBondContact O-N 2.77Å; V213-T217 PolarHBondContact O-OG1 2.69Å; V213-T217 VanDerWaalsContact O-OG1 3.05Å
214I98.8Very high98.6Very high16 Ų1654.9 Ų54.98%0.08229%0.293CS..Hα-helixtrans-63.1-47.1176.9-71.2166.4000110.6V210 E211 T217 H218 V225 V227 L235 S237 L243V210-I214 HydrophobicContact CG2-CD1 4.25Å; V210-I214 WeakPolarHBondContact O-CG1 3.43Å; V210-I214 PolarHBondContact O-N 3.48Å; E211-I214 PolarHBondContact O-N 3.16Å; I214-T217 PolarHBondContact O-N 2.77Å; I214-H218 PolarHBondContact O-CD2 3.09Å; I214-H218 PolarHBondContact O-N 3.31Å; I214-V225 HydrophobicContact CG1-CG1 4.28Å; I214-V227 HydrophobicContact CD1-CG2 4.11Å; I214-V227 HydrophobicContact CG1-CG2 3.82Å; I214-L235 HydrophobicContact CD1-CD1 4.44Å; I214-S237 WeakPolarHBondContact CG2-OG 3.49Å; I214-L243 HydrophobicContact CD1-CD1 4.18Å
215A98.5Very high98.6Very high43 Ų4354.9 Ų54.936%0.35529%0.293SS..Hα-helixtrans-63.5-45.8-177.800000112.4E211 D212 T217 H218 N219E211-A215 VanDerWaalsContact O-CB 3.26Å; E211-A215 WeakPolarHBondContact O-CB 3.42Å; E211-A215 PolarHBondContact O-N 3.34Å; D212-A215 PolarHBondContact O-N 3.27Å; A215-T217 VanDerWaalsContact C-N 3.28Å; A215-T217 PolarHBondContact O-N 2.88Å; A215-H218 PolarHBondContact O-N 3.16Å; A215-N219 WeakPolarHBondContact O-CB 3.42Å; A215-N219 PolarHBondContact O-N 2.9Å; A215-N219 PolarHBondContact O-ND2 2.88Å
216R98.5Very high98.6Very high69 Ų6951.7 Ų51.726%0.2628%0.281SS..Hα-helixtrans-63-35.917874.8-179.8179.2-1432112.1E201 D212 V213 N219 A220E201-R216 IonicContact OE2-CZ 3.6Å; E201-R216 IonicContact OE2-NE 3.69Å; E201-R216 IonicContact OE2-NH2 2.68Å; E201-R216 PolarHBondContact OE2-NH2 2.99Å; D212-R216 WeakPolarHBondContact O-CB 3.24Å; D212-R216 WeakPolarHBondContact O-CG 3.33Å; D212-R216 PolarHBondContact O-N 2.72Å; V213-R216 VanDerWaalsContact O-CG 3.32Å; V213-R216 WeakPolarHBondContact O-CG 3.44Å; R216-N219 PolarHBondContact O-N 3.05Å; R216-A220 PolarHBondContact O-N 3.2Å
217T98.9Very high98.6Very high0 Ų050.5 Ų50.50%027%0.268CS..Hα-helixtrans-72.7-38.6179.2-61.30000111.5L188 A194 L196 V213 I214 A215 N219 A220 V222 V225L188-T217 HydrophobicContact CD2-CG2 4.08Å; A194-T217 HydrophobicContact CB-CG2 4.07Å; L196-T217 HydrophobicContact CD1-CG2 4.19Å; V213-T217 WeakPolarHBondContact O-CB 3.4Å; V213-T217 PolarHBondContact O-N 2.77Å; V213-T217 PolarHBondContact O-OG1 2.69Å; V213-T217 VanDerWaalsContact O-OG1 3.05Å; I214-T217 PolarHBondContact O-N 2.77Å; A215-T217 VanDerWaalsContact C-N 3.28Å; A215-T217 PolarHBondContact O-N 2.88Å; T217-N219 VanDerWaalsContact C-N 3.34Å; T217-A220 WeakPolarHBondContact O-CB 3.5Å; T217-A220 PolarHBondContact O-N 3.45Å; T217-V222 HydrophobicContact CG2-CB 3.83Å; T217-V222 HydrophobicContact CG2-CG1 4.22Å; T217-V222 HydrophobicContact CG2-CG2 3.69Å; T217-V222 WeakPolarHBondContact O-CB 3.44Å; T217-V222 WeakPolarHBondContact O-CG2 3.48Å; T217-V222 PolarHBondContact O-N 3.18Å; T217-V225 HydrophobicContact CG2-CG1 4.35Å; T217-V225 HydrophobicContact CG2-CG2 3.63Å
218H98.8Very high98.6Very high39 Ų3943.2 Ų43.218%0.18123%0.234CC..Hα-helixtrans-63.5-38.5168.8-76.9-49.5000112.6I214 A215 A220 G221 V222 K223 S237I214-H218 PolarHBondContact O-CD2 3.09Å; I214-H218 PolarHBondContact O-N 3.31Å; A215-H218 PolarHBondContact O-N 3.16Å; H218-A220 PolarHBondContact O-N 3.32Å; H218-G221 WeakPolarHBondContact O-CA 3.48Å; H218-G221 PolarHBondContact O-N 3.08Å; H218-V222 PolarHBondContact ND1-O 2.85Å; H218-K223 PolarHBondContact CE1-O 3.24Å; H218-K223 VanDerWaalsContact CE1-O 3.3Å; H218-S237 PolarHBondContact CE1-O 3.27Å; H218-S237 VanDerWaalsContact CE1-O 3.32Å; H218-S237 WeakPolarHBondContact NE2-CB 3.37Å; H218-S237 PolarHBondContact NE2-O 3.46Å; H218-S237 PolarHBondContact NE2-OG 3.22Å
219N98.5Very high98.6Very high141 Ų14141.8 Ų41.875%0.75422%0.224SC*.Hα-helixtrans-64.7-27.1176.5-71.2-22.7000112.9A215 R216 T217 G221A215-N219 WeakPolarHBondContact O-CB 3.42Å; A215-N219 PolarHBondContact O-N 2.9Å; A215-N219 PolarHBondContact O-ND2 2.88Å; R216-N219 PolarHBondContact O-N 3.05Å; T217-N219 VanDerWaalsContact C-N 3.34Å; N219-G221 PolarHBondContact O-N 3.43Å
220A98.6Very high98.4Very high14 Ų1441.9 Ų41.912%0.11624%0.238CC..THydrogen-bonded Turntrans-71.3-11.2169.900000112.9L188 E189 R216 T217 H218L188-A220 HydrophobicContact CB-CB 3.82Å; E189-A220 WeakPolarHBondContact CA-O 3.3Å; R216-A220 PolarHBondContact O-N 3.2Å; T217-A220 WeakPolarHBondContact O-CB 3.5Å; T217-A220 PolarHBondContact O-N 3.45Å; H218-A220 PolarHBondContact O-N 3.32Å
221G98.4Very high98.2Very high47 Ų4745.4 Ų45.449%0.48527%0.269SS..THydrogen-bonded Turntrans1063.1177.200000114.9H218 N219H218-G221 WeakPolarHBondContact O-CA 3.48Å; H218-G221 PolarHBondContact O-N 3.08Å; N219-G221 PolarHBondContact O-N 3.43Å
222V98.9Very high98.1Very high3 Ų344.4 Ų44.42%0.01827%0.267CS..  trans-70130.5177.1-176.40000110.1L188 T191 D192 A194 T217 H218 E224 V225L188-V222 HydrophobicContact CB-CG2 4.35Å; L188-V222 HydrophobicContact CD2-CG2 4.17Å; L188-V222 WeakPolarHBondContact O-CG2 3.42Å; T191-V222 HydrophobicContact CG2-CG1 4.21Å; T191-V222 HydrophobicContact CG2-CG2 4.1Å; D192-V222 WeakPolarHBondContact O-CG1 3.19Å; A194-V222 HydrophobicContact CB-CG1 3.83Å; A194-V222 HydrophobicContact CB-CG2 4.47Å; T217-V222 HydrophobicContact CG2-CB 3.83Å; T217-V222 HydrophobicContact CG2-CG1 4.22Å; T217-V222 HydrophobicContact CG2-CG2 3.69Å; T217-V222 WeakPolarHBondContact O-CB 3.44Å; T217-V222 WeakPolarHBondContact O-CG2 3.48Å; T217-V222 PolarHBondContact O-N 3.18Å; H218-V222 PolarHBondContact ND1-O 2.85Å; V222-E224 WeakPolarHBondContact CG1-O 3.28Å; V222-V225 HydrophobicContact CB-CG2 4.38Å; V222-V225 HydrophobicContact CG1-CG2 4.01Å
223K98.7Very high98.1Very high130 Ų13041.5 Ų41.557%0.56525%0.253SS*.SBendtrans-84-42.2-178-174.2178.2178-177.90112.8D192 H218 I238 A239D192-K223 PolarHBondContact O-N 3.26Å; D192-K223 VanDerWaalsContact O-N 3.14Å; H218-K223 PolarHBondContact CE1-O 3.24Å; H218-K223 VanDerWaalsContact CE1-O 3.3Å; K223-I238 WeakPolarHBondContact O-CA 3.41Å; K223-A239 PolarHBondContact O-N 2.89Å
224E98.9Very high98.1Very high9 Ų941.5 Ų41.54%0.04225%0.253CS..EExtended strand (participates in β ladder)trans-121.3117-176.9-176.7168.2138.800109.7D192 I193 A194 V222 V226 V236 S237 I238 Y270 R274D192-E224 PolarHBondContact O-N 3.46Å; I193-E224 CarbonylContact C-O 3.35Å; I193-E224 VanDerWaalsContact CA-O 3.26Å; I193-E224 WeakPolarHBondContact CA-O 3.44Å; I193-E224 HydrophobicContact CG1-CB 4.17Å; I193-E224 HydrophobicContact CG2-CB 4.33Å; I193-E224 HydrophobicContact CG2-CG 4.26Å; A194-E224 PolarHBondContact N-O 2.81Å; V222-E224 WeakPolarHBondContact CG1-O 3.28Å; E224-V226 HydrophobicContact CG-CG2 4.38Å; E224-V236 HydrophobicContact CG-CG1 4.14Å; E224-S237 WeakPolarHBondContact CA-O 3.33Å; E224-I238 HydrophobicContact CB-CG1 4.32Å; E224-I238 HydrophobicContact CG-CG1 3.92Å; E224-Y270 WeakPolarHBondContact OE1-CE1 3.11Å; E224-Y270 PolarHBondContact OE1-OH 2.95Å; E224-R274 IonicContact OE1-NE 3.55Å; E224-R274 PolarHBondContact OE1-NE 3.37Å; E224-R274 IonicContact OE2-CZ 2.77Å; E224-R274 IonicContact OE2-NE 3.69Å; E224-R274 PolarHBondContact OE2-NE 3.13Å; E224-R274 IonicContact OE2-NH2 3.77Å; E224-R274 PolarHBondContact OE2-NH2 3.22Å
225V98.9Very high98.1Very high0 Ų041 Ų410%025%0.251CS..EExtended strand (participates in β ladder)trans-111.6122.9179.9-177.80000108.6L196 I214 T217 V222 V227 V236 S237L196-V225 HydrophobicContact CD1-CG1 3.65Å; L196-V225 HydrophobicContact CG-CG1 4.21Å; I214-V225 HydrophobicContact CG1-CG1 4.28Å; T217-V225 HydrophobicContact CG2-CG1 4.35Å; T217-V225 HydrophobicContact CG2-CG2 3.63Å; V222-V225 HydrophobicContact CB-CG2 4.38Å; V222-V225 HydrophobicContact CG1-CG2 4.01Å; V225-V227 HydrophobicContact CG1-CG2 4.14Å; V225-V236 CarbonylContact O-C 3.6Å; V225-V236 WeakPolarHBondContact O-CA 3.24Å; V225-S237 PolarHBondContact N-O 2.69Å; V225-S237 PolarHBondContact O-N 2.87Å
226V98.9Very high98.1Very high0 Ų039 Ų390%023%0.234CC..EExtended strand (participates in β ladder)trans-115.3105.3-178.5-175.90000108.7I193 A194 F195 L196 E224 L235 V236 F266 Y270I193-V226 HydrophobicContact CG2-CG2 4.34Å; A194-V226 PolarHBondContact O-N 2.89Å; F195-V226 CarbonylContact C-O 3.49Å; F195-V226 WeakPolarHBondContact CA-O 3.46Å; F195-V226 HydrophobicContact CD1-CB 3.73Å; F195-V226 HydrophobicContact CD1-CG1 3.66Å; F195-V226 HydrophobicContact CD1-CG2 4.36Å; F195-V226 HydrophobicContact CE1-CB 3.96Å; F195-V226 HydrophobicContact CE1-CG1 3.73Å; F195-V226 HydrophobicContact CE1-CG2 4.16Å; F195-V226 HydrophobicContact CG-CB 4.45Å; L196-V226 PolarHBondContact N-O 2.75Å; E224-V226 HydrophobicContact CG-CG2 4.38Å; V226-L235 CarbonylContact C-O 3.57Å; V226-L235 WeakPolarHBondContact CA-O 3.24Å; V226-V236 HydrophobicContact CG1-CG2 4.33Å; V226-V236 HydrophobicContact CG2-CG1 4.2Å; V226-V236 HydrophobicContact CG2-CG2 4.42Å; V226-F266 HydrophobicContact CG1-CE1 3.96Å; V226-Y270 HydrophobicContact CG1-CD2 4.14Å; V226-Y270 HydrophobicContact CG1-CE2 3.99Å; V226-Y270 HydrophobicContact CG2-CE1 3.97Å; V226-Y270 HydrophobicContact CG2-CE2 3.95Å
227V98.9Very high98.1Very high0 Ų036.5 Ų36.50%023%0.227CC..EExtended strand (participates in β ladder)trans-93.3116.4-178.4-170.90000110.3L196 L198 V210 I214 V225 R229 C234 L235L196-V227 CarbonylContact O-C 3.49Å; L196-V227 WeakPolarHBondContact O-CA 3.49Å; L198-V227 HydrophobicContact CB-CG1 4.06Å; L198-V227 HydrophobicContact CD1-CG1 4.33Å; V210-V227 HydrophobicContact CG2-CG1 3.98Å; V210-V227 HydrophobicContact CG2-CG2 4.31Å; I214-V227 HydrophobicContact CD1-CG2 4.11Å; I214-V227 HydrophobicContact CG1-CG2 3.82Å; V225-V227 HydrophobicContact CG1-CG2 4.14Å; V227-R229 HydrophobicContact CG1-CG 3.86Å; V227-C234 WeakPolarHBondContact O-CA 3.47Å; V227-L235 HydrophobicContact CB-CB 4.19Å; V227-L235 HydrophobicContact CG2-CB 4.49Å; V227-L235 PolarHBondContact N-O 2.93Å; V227-L235 PolarHBondContact O-N 3.21Å
228K98.7Very high98.1Very high14 Ų1437 Ų376%0.06123%0.23CC..EExtended strand (participates in β ladder)trans-90.4122.3174.5-59.7174.7-67.9-178.30109D166 F195 L196 T197 L198 F266D166-K228 IonicContact OD1-NZ 2.76Å; D166-K228 PolarHBondContact OD1-NZ 3.21Å; D166-K228 IonicContact OD2-NZ 3.04Å; D166-K228 PolarHBondContact OD2-NZ 2.96Å; F195-K228 HydrophobicContact CD1-CD 4.5Å; L196-K228 PolarHBondContact O-N 2.81Å; T197-K228 WeakPolarHBondContact OG1-CE 3.44Å; T197-K228 PolarHBondContact OG1-NZ 2.96Å; L198-K228 PolarHBondContact N-O 2.9Å; K228-F266 HydrophobicContact CD-CB 4.46Å; K228-F266 HydrophobicContact CD-CD1 3.71Å; K228-F266 HydrophobicContact CD-CE1 4.38Å; K228-F266 HydrophobicContact CD-CG 4.28Å; K228-F266 HydrophobicContact CG-CD1 3.71Å; K228-F266 HydrophobicContact CG-CE1 3.91Å; K228-F266 HydrophobicContact CG-CG 4.35Å
229R97.8Very high98Very high61 Ų6137.6 Ų37.623%0.2324%0.241CC..  trans-122.336.2-175.7-58.1-169.4-66176.9-4.3113.2L198 V227 A231 D232 S233L198-R229 HydrophobicContact CB-CG 4.17Å; L198-R229 HydrophobicContact CD2-CG 4.01Å; V227-R229 HydrophobicContact CG1-CG 3.86Å; R229-A231 PolarHBondContact O-N 2.65Å; R229-A231 VanDerWaalsContact O-N 3.08Å; R229-D232 HydrophobicContact CB-CB 3.75Å; R229-D232 WeakPolarHBondContact O-CB 3.25Å; R229-D232 PolarHBondContact O-N 3.14Å; R229-S233 PolarHBondContact NE-O 3.41Å; R229-S233 PolarHBondContact NH2-O 2.84Å; R229-S233 VanDerWaalsContact NH2-O 3.14Å; R229-S233 PolarHBondContact NH2-OG 3.46Å
230G93.9Very high97.9Very high68 Ų6835.2 Ų35.270%0.70125%0.251SS*.THydrogen-bonded Turntrans59.4-113.8-179.700000112.3D232G230-D232 VanDerWaalsContact C-N 3.34Å
231A93.8Very high97.8Very high93 Ų9340.4 Ų40.477%0.76927%0.272SS*.THydrogen-bonded Turntrans-82.2-1117900000113.9R229 A248R229-A231 PolarHBondContact O-N 2.65Å; R229-A231 VanDerWaalsContact O-N 3.08Å; A231-A248 WeakPolarHBondContact O-CB 3.48Å
232D96.6Very high97.7Very high104 Ų10441 Ų4156%0.55628%0.278SS*.SBendtrans-81.3171.7174.7-70.1-3.6000110.8R229 G230R229-D232 HydrophobicContact CB-CB 3.75Å; R229-D232 WeakPolarHBondContact O-CB 3.25Å; R229-D232 PolarHBondContact O-N 3.14Å; G230-D232 VanDerWaalsContact C-N 3.34Å
233S97.5Very high97.6Very high21 Ų2145.5 Ų45.515%0.14730%0.302CS..PPolyproline II helixtrans-65.6149.9-178.860.50000112.8R229 D245 V246R229-S233 PolarHBondContact NE-O 3.41Å; R229-S233 PolarHBondContact NH2-O 2.84Å; R229-S233 VanDerWaalsContact NH2-O 3.14Å; R229-S233 PolarHBondContact NH2-OG 3.46Å; S233-D245 WeakPolarHBondContact CB-OD1 3.48Å; S233-D245 PolarHBondContact OG-OD1 3.21Å; S233-V246 CarbonylContact C-O 3.59Å; S233-V246 VanDerWaalsContact CA-O 3.24Å; S233-V246 WeakPolarHBondContact CA-O 3.43Å; S233-V246 WeakPolarHBondContact CB-O 3.44Å
234C98.8Very high97.6Very high0 Ų041.2 Ų41.20%029%0.286CS..EExtended strand (participates in β ladder)trans-77.7134.1169.6175.20000108.7V227 V246 F266 A284 H288V227-C234 WeakPolarHBondContact O-CA 3.47Å; C234-V246 PolarHBondContact N-O 2.5Å; C234-V246 PolarHBondContact O-N 3.01Å; C234-F266 HydrophobicContact CB-CE2 4.23Å; C234-F266 HydrophobicContact CB-CZ 3.82Å; C234-F266 VanDerWaalsContact SG-CZ 3.53Å; C234-A284 HydrophobicContact CB-CB 4.29Å; C234-H288 WeakPolarHBondContact CB-NE2 3.42Å; C234-H288 PolarHBondContact N-NE2 2.83Å
235L98.9Very high97.6Very high6 Ų645.3 Ų45.33%0.03131%0.308CS..EExtended strand (participates in β ladder)trans-104.9129.3171.3-56.5-178.6000109.3V210 I214 V226 V227 L243 V244 D245V210-L235 HydrophobicContact CG1-CD1 4.02Å; V210-L235 HydrophobicContact CG2-CD1 3.85Å; I214-L235 HydrophobicContact CD1-CD1 4.44Å; V226-L235 CarbonylContact C-O 3.57Å; V226-L235 WeakPolarHBondContact CA-O 3.24Å; V227-L235 HydrophobicContact CB-CB 4.19Å; V227-L235 HydrophobicContact CG2-CB 4.49Å; V227-L235 PolarHBondContact N-O 2.93Å; V227-L235 PolarHBondContact O-N 3.21Å; L235-L243 HydrophobicContact CB-CD1 4.3Å; L235-L243 HydrophobicContact CD2-CD2 4.26Å; L235-V244 CarbonylContact C-O 3.57Å; L235-V244 WeakPolarHBondContact CA-O 3.36Å; L235-D245 HydrophobicContact CD2-CB 3.87Å; L235-D245 VanDerWaalsContact CD2-CG 3.5Å
236V98.9Very high97.6Very high0 Ų045.6 Ų45.60%031%0.31CS..EExtended strand (participates in β ladder)trans-117.2119.5171.1-171.50000108.8E224 V225 V226 I238 V244 Y270 A280 A284E224-V236 HydrophobicContact CG-CG1 4.14Å; V225-V236 CarbonylContact O-C 3.6Å; V225-V236 WeakPolarHBondContact O-CA 3.24Å; V226-V236 HydrophobicContact CG1-CG2 4.33Å; V226-V236 HydrophobicContact CG2-CG1 4.2Å; V226-V236 HydrophobicContact CG2-CG2 4.42Å; V236-I238 HydrophobicContact CG1-CG1 4.38Å; V236-V244 HydrophobicContact CB-CB 4.14Å; V236-V244 PolarHBondContact N-O 2.78Å; V236-V244 PolarHBondContact O-N 2.85Å; V236-Y270 WeakPolarHBondContact CG1-OH 3.48Å; V236-Y270 HydrophobicContact CG2-CE2 3.9Å; V236-A280 HydrophobicContact CB-CB 4.32Å; V236-A280 HydrophobicContact CG1-CB 3.89Å; V236-A284 HydrophobicContact CG2-CB 4.31Å
237S98.9Very high97.6Very high17 Ų1750.2 Ų50.212%0.11934%0.34CS..EExtended strand (participates in β ladder)trans-113.5115.7176.1-176.50000109.4I214 H218 E224 V225I214-S237 WeakPolarHBondContact CG2-OG 3.49Å; H218-S237 PolarHBondContact CE1-O 3.27Å; H218-S237 VanDerWaalsContact CE1-O 3.32Å; H218-S237 WeakPolarHBondContact NE2-CB 3.37Å; H218-S237 PolarHBondContact NE2-O 3.46Å; H218-S237 PolarHBondContact NE2-OG 3.22Å; E224-S237 WeakPolarHBondContact CA-O 3.33Å; V225-S237 PolarHBondContact N-O 2.69Å; V225-S237 PolarHBondContact O-N 2.87Å
238I98.8Very high97.4Very high10 Ų1051.3 Ų51.35%0.05135%0.349CS..EExtended strand (participates in β ladder)trans-104.5126.9171.7-60.6169.7000107.4K223 E224 V236 G240 E241 A280K223-I238 WeakPolarHBondContact O-CA 3.41Å; E224-I238 HydrophobicContact CB-CG1 4.32Å; E224-I238 HydrophobicContact CG-CG1 3.92Å; V236-I238 HydrophobicContact CG1-CG1 4.38Å; I238-G240 PolarHBondContact O-N 3.13Å; I238-G240 VanDerWaalsContact O-N 3.12Å; I238-E241 HydrophobicContact CB-CB 4.14Å; I238-E241 HydrophobicContact CB-CG 4.17Å; I238-E241 HydrophobicContact CG2-CG 4.06Å; I238-E241 WeakPolarHBondContact CG2-OE1 3.23Å; I238-E241 WeakPolarHBondContact O-CB 3.45Å; I238-E241 PolarHBondContact O-N 2.98Å; I238-A280 HydrophobicContact CD1-CB 4.19Å
239A97.1Very high97.1Very high51 Ų5153.9 Ų53.942%0.42137%0.366SS..THydrogen-bonded Turntrans-55.1119.6-176.600000111.6K223K223-A239 PolarHBondContact O-N 2.89Å
240G95.5Very high96.9Very high92 Ų9260.7 Ų60.795%0.94840%0.397SS*.THydrogen-bonded Turntrans901.6-178.100000115.3I238I238-G240 PolarHBondContact O-N 3.13Å; I238-G240 VanDerWaalsContact O-N 3.12Å
241E97Very high96.8Very high123 Ų12359.8 Ų59.858%0.57538%0.376SS*.SBendtrans-114.2170.4178.1-57.7-176-156.200111.6I238I238-E241 HydrophobicContact CB-CB 4.14Å; I238-E241 HydrophobicContact CB-CG 4.17Å; I238-E241 HydrophobicContact CG2-CG 4.06Å; I238-E241 WeakPolarHBondContact CG2-OE1 3.23Å; I238-E241 WeakPolarHBondContact O-CB 3.45Å; I238-E241 PolarHBondContact O-N 2.98Å
242G95.5Very high96.8Very high59 Ų5958 Ų5861%0.60836%0.357SS*.PPolyproline II helixtrans-73.7150.5173.500000111.9V244G242-V244 PolarHBondContact O-N 2.87Å
243L98.5Very high96.5Very high97 Ų9762.1 Ų62.151%0.50837%0.37SS..PPolyproline II helixtrans-64.4127.8176.3-170.970000110.4I214 L235I214-L243 HydrophobicContact CD1-CD1 4.18Å; L235-L243 HydrophobicContact CB-CD1 4.3Å; L235-L243 HydrophobicContact CD2-CD2 4.26Å
244V98.7Very high96.3Very high40 Ų4068.4 Ų68.424%0.24240%0.397CS..EExtended strand (participates in β ladder)trans-95.5123172.2175.10000108.2L235 V236 G242 V246 E281L235-V244 CarbonylContact C-O 3.57Å; L235-V244 WeakPolarHBondContact CA-O 3.36Å; V236-V244 HydrophobicContact CB-CB 4.14Å; V236-V244 PolarHBondContact N-O 2.78Å; V236-V244 PolarHBondContact O-N 2.85Å; G242-V244 PolarHBondContact O-N 2.87Å; V244-V246 HydrophobicContact CG1-CG2 3.8Å; V244-E281 HydrophobicContact CG1-CB 4.06Å; V244-E281 HydrophobicContact CG1-CG 4.37Å
245D98.7Very high96Very high95 Ų9573.3 Ų73.351%0.50842%0.418SS..EExtended strand (participates in β ladder)trans-119.4113.6-178.9-172.5-21.3000109.5S233 L235S233-D245 WeakPolarHBondContact CB-OD1 3.48Å; S233-D245 PolarHBondContact OG-OD1 3.21Å; L235-D245 HydrophobicContact CD2-CB 3.87Å; L235-D245 VanDerWaalsContact CD2-CG 3.5Å
246V98.7Very high95.8Very high6 Ų675.8 Ų75.84%0.03643%0.433CS..EExtended strand (participates in β ladder)trans-121.2114.7-174.2-175.20000111.2S233 C234 V244 E281 A284 K285 H288S233-V246 CarbonylContact C-O 3.59Å; S233-V246 VanDerWaalsContact CA-O 3.24Å; S233-V246 WeakPolarHBondContact CA-O 3.43Å; S233-V246 WeakPolarHBondContact CB-O 3.44Å; C234-V246 PolarHBondContact N-O 2.5Å; C234-V246 PolarHBondContact O-N 3.01Å; V244-V246 HydrophobicContact CG1-CG2 3.8Å; V246-E281 HydrophobicContact CG2-CB 4.47Å; V246-E281 HydrophobicContact CG2-CG 3.81Å; V246-A284 HydrophobicContact CB-CB 3.82Å; V246-A284 HydrophobicContact CG1-CB 4.12Å; V246-A284 HydrophobicContact CG2-CB 3.76Å; V246-K285 HydrophobicContact CG1-CG 3.79Å; V246-H288 PolarHBondContact O-NE2 2.58Å
247P98Very high95.4Very high98 Ų9881 Ų8164%0.63646%0.46SS*.  trans-64.1144.7-178.328.1-35.1000112.4H288P247-H288 PolarHBondContact O-CD2 3.13Å
248A94.7Very high94.9Very high23 Ų2381.1 Ų81.119%0.1946%0.46CS..  trans-64.8154.9170.900000111.9A231 K250 H288A231-A248 WeakPolarHBondContact O-CB 3.48Å; A248-K250 PolarHBondContact O-N 2.89Å; A248-H288 VanDerWaalsContact CA-CE1 3.45Å; A248-H288 WeakPolarHBondContact CA-CE1 3.4Å
249V93Very high94.6Very high68 Ų6884.8 Ų84.841%0.41248%0.482SS..  trans-70113.2170.7177.10000108.4L251 H288V249-L251 PolarHBondContact O-N 2.97Å; V249-H288 HydrophobicContact CG2-CB 4.19Å
250K93Very high94.2Very high204 Ų20484 Ų8489%0.88747%0.472SS*.  trans-67.6119.9175.6-73.6-175.2179.1178.40110.2A248A248-K250 PolarHBondContact O-N 2.89Å
251L92.3Very high94.2Very high48 Ų4880 Ų8025%0.25143%0.43SS..  trans-113.1141.9174.2-75.7169.1000111.1V249 S292 I295 Q296V249-L251 PolarHBondContact O-N 2.97Å; L251-S292 VanDerWaalsContact CD1-O 3.25Å; L251-S292 WeakPolarHBondContact CD1-O 3.17Å; L251-I295 HydrophobicContact CD1-CD1 3.92Å; L251-I295 HydrophobicContact CD1-CG1 4.09Å; L251-Q296 HydrophobicContact CD1-CG 4.32Å
252P93.4Very high94.1Very high57 Ų5775.4 Ų75.437%0.3741%0.414SS..  trans-58.4138.5166-19.831.7000110.9E254 K255P252-E254 HydrophobicContact CB-CG 4.38Å; P252-E254 WeakPolarHBondContact CB-OE1 3.4Å; P252-E254 WeakPolarHBondContact CB-OE2 3.41Å; P252-E254 PolarHBondContact O-N 3.3Å; P252-K255 HydrophobicContact CB-CG 4.45Å; P252-K255 HydrophobicContact CG-CD 4.44Å; P252-K255 WeakPolarHBondContact O-CB 3.42Å; P252-K255 PolarHBondContact O-N 2.88Å
253K90.9Very high94.2Very high189 Ų18973.9 Ų73.982%0.82240%0.398SS*.G310 helixtrans-58.9-34.5-173.9-71.7-174.6177.5-174.90112.4K255 V256K253-K255 PolarHBondContact O-N 2.74Å; K253-V256 PolarHBondContact O-N 2.82Å; K253-V256 VanDerWaalsContact O-N 3.09Å
254E92.4Very high94.2Very high153 Ų15370.1 Ų70.172%0.71538%0.379SS*.G310 helixtrans-67-16.5178.770.6-81.4-169.600114P252P252-E254 HydrophobicContact CB-CG 4.38Å; P252-E254 WeakPolarHBondContact CB-OE1 3.4Å; P252-E254 WeakPolarHBondContact CB-OE2 3.41Å; P252-E254 PolarHBondContact O-N 3.3Å
255K94.1Very high94.2Very high103 Ų10368.2 Ų68.245%0.44837%0.367SS..G310 helixtrans-86.3-14.2173.2-67.3-163.3175.4-1720112.9P252 K253 I257 Q296P252-K255 HydrophobicContact CB-CG 4.45Å; P252-K255 HydrophobicContact CG-CD 4.44Å; P252-K255 WeakPolarHBondContact O-CB 3.42Å; P252-K255 PolarHBondContact O-N 2.88Å; K253-K255 PolarHBondContact O-N 2.74Å; K255-I257 PolarHBondContact O-N 2.89Å; K255-Q296 HydrophobicContact CB-CG 4.24Å; K255-Q296 WeakPolarHBondContact O-CA 3.11Å; K255-Q296 WeakPolarHBondContact O-CG 3.46Å
256V93.2Very high94.2Very high58 Ų5864.2 Ų64.235%0.35235%0.345SS..  trans-81.7103.3178-176.20000108.2K253 T259 I295K253-V256 PolarHBondContact O-N 2.82Å; K253-V256 VanDerWaalsContact O-N 3.09Å; V256-T259 HydrophobicContact CG1-CG2 3.97Å; V256-I295 HydrophobicContact CG1-CB 4.44Å; V256-I295 HydrophobicContact CG1-CD1 4.22Å; V256-I295 HydrophobicContact CG2-CD1 4.01Å
257I91.1Very high94.2Very high111 Ų11164 Ų6457%0.56934%0.343SS*.  trans-94.4-43.6-177-58.7-168.7000111.1K255 I295 Q296 R298K255-I257 PolarHBondContact O-N 2.89Å; I257-I295 PolarHBondContact N-O 2.87Å; I257-Q296 WeakPolarHBondContact CD1-O 3.1Å; I257-R298 HydrophobicContact CG2-CB 4.28Å
258D89.3Confident94.3Very high19 Ų1959.3 Ų59.310%0.10231%0.313CS..  trans-152.2120.1-173.5-174-11.4000109.8R98 T260 I295 Y297 G299R98-D258 IonicContact CZ-OD1 2.95Å; R98-D258 VanDerWaalsContact NH1-CG 3.29Å; R98-D258 IonicContact NH1-OD1 3.69Å; R98-D258 PolarHBondContact NH1-OD1 2.89Å; R98-D258 IonicContact NH1-OD2 2.66Å; R98-D258 PolarHBondContact NH1-OD2 2.84Å; R98-D258 IonicContact NH2-OD1 2.93Å; R98-D258 PolarHBondContact NH2-OD1 3.46Å; D258-T260 VanDerWaalsContact C-N 3.28Å; D258-T260 PolarHBondContact O-N 3.47Å; D258-T260 WeakPolarHBondContact OD1-CB 3.12Å; D258-T260 PolarHBondContact OD1-N 3.15Å; D258-T260 PolarHBondContact OD1-OG1 3.27Å; D258-I295 PolarHBondContact N-O 2.95Å; D258-I295 WeakPolarHBondContact O-CA 3.45Å; D258-I295 WeakPolarHBondContact O-CB 3.31Å; D258-Y297 WeakPolarHBondContact CB-O 3.2Å; D258-G299 PolarHBondContact OD2-N 3.22Å; D258-G299 VanDerWaalsContact OD2-N 3.1Å
259T91.1Very high94.5Very high86 Ų8658.2 Ų58.253%0.52830%0.304SS..  trans-83.70.1179.2550000114V256 A262V256-T259 HydrophobicContact CG1-CG2 3.97Å; T259-A262 VanDerWaalsContact O-CB 3.31Å; T259-A262 WeakPolarHBondContact O-CB 3.46Å; T259-A262 PolarHBondContact O-N 2.83Å
260T89.7Confident94.7Very high34 Ų3455 Ų5521%0.20928%0.284CS..THydrogen-bonded Turntrans-58.4139.6175.4-670000110.8R98 D258 A262 A300R98-T260 PolarHBondContact NH1-OG1 2.99Å; R98-T260 PolarHBondContact NH2-OG1 3.28Å; D258-T260 VanDerWaalsContact C-N 3.28Å; D258-T260 PolarHBondContact O-N 3.47Å; D258-T260 WeakPolarHBondContact OD1-CB 3.12Å; D258-T260 PolarHBondContact OD1-N 3.15Å; D258-T260 PolarHBondContact OD1-OG1 3.27Å; T260-A262 PolarHBondContact O-N 3.26Å; T260-A262 VanDerWaalsContact O-N 3.16Å; T260-A300 HydrophobicContact CG2-CB 3.78Å
261A94.5Very high95Very high8 Ų845.2 Ų45.27%0.06624%0.242CC..THydrogen-bonded Turntrans61.711.5-177.900000115.8N32 G263 D264 S265 V294 A300N32-A261 HydrophobicContact CB-CB 4.32Å; A261-G263 PolarHBondContact O-N 2.69Å; A261-D264 WeakPolarHBondContact CA-OD2 3.49Å; A261-D264 HydrophobicContact CB-CB 4.34Å; A261-D264 PolarHBondContact O-N 3.42Å; A261-S265 WeakPolarHBondContact O-CB 3.31Å; A261-S265 PolarHBondContact O-N 3.03Å; A261-S265 PolarHBondContact O-OG 3.32Å; A261-V294 HydrophobicContact CB-CG1 4.3Å; A261-A300 HydrophobicContact CB-CB 4.02Å; A261-A300 WeakPolarHBondContact CB-O 3.31Å
262A96.1Very high95.3Very high28 Ų2843.1 Ų43.123%0.23123%0.232CC..Hα-helixtrans-58.3-48174.300000111.9T259 T260 S265 F266 A291 I295T259-A262 VanDerWaalsContact O-CB 3.31Å; T259-A262 WeakPolarHBondContact O-CB 3.46Å; T259-A262 PolarHBondContact O-N 2.83Å; T260-A262 PolarHBondContact O-N 3.26Å; T260-A262 VanDerWaalsContact O-N 3.16Å; A262-S265 PolarHBondContact O-OG 3.03Å; A262-F266 WeakPolarHBondContact O-CB 3.17Å; A262-F266 PolarHBondContact O-N 2.78Å; A262-A291 WeakPolarHBondContact O-CB 3.43Å; A262-I295 HydrophobicContact CB-CG2 3.63Å
263G97.3Very high95.6Very high27 Ų2741.5 Ų41.528%0.27822%0.221SC..Hα-helixtrans-65.9-47176.700000112.8A261 S265 F266 S267A261-G263 PolarHBondContact O-N 2.69Å; G263-S265 PolarHBondContact O-N 3.29Å; G263-F266 WeakPolarHBondContact O-CB 3.49Å; G263-F266 PolarHBondContact O-N 3.13Å; G263-S267 PolarHBondContact O-N 3.2Å; G263-S267 PolarHBondContact O-OG 3.06Å
264D98.5Very high96Very high18 Ų1836 Ų3610%0.09620%0.195CC..Hα-helixtrans-59.2-46.5-180-45.3-17000111.3D29 N32 T33 A261 S267 A268D29-D264 WeakPolarHBondContact CA-OD2 3.49Å; N32-D264 HydrophobicContact CB-CB 3.87Å; N32-D264 PolarHBondContact ND2-OD2 2.75Å; T33-D264 PolarHBondContact OG1-O 2.74Å; A261-D264 WeakPolarHBondContact CA-OD2 3.49Å; A261-D264 HydrophobicContact CB-CB 4.34Å; A261-D264 PolarHBondContact O-N 3.42Å; D264-S267 PolarHBondContact O-N 3.03Å; D264-A268 PolarHBondContact O-N 2.88Å
265S98.6Very high96.3Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-73.3-28.8-179.966.60000113.1A261 A262 G263 A268 G269 T290 A291A261-S265 WeakPolarHBondContact O-CB 3.31Å; A261-S265 PolarHBondContact O-N 3.03Å; A261-S265 PolarHBondContact O-OG 3.32Å; A262-S265 PolarHBondContact O-OG 3.03Å; G263-S265 PolarHBondContact O-N 3.29Å; S265-A268 PolarHBondContact O-N 2.78Å; S265-G269 PolarHBondContact O-N 2.82Å; S265-T290 WeakPolarHBondContact O-CG2 3.45Å; S265-A291 WeakPolarHBondContact OG-CA 3.18Å
266F98.8Very high96.5Very high11 Ų1127.4 Ų27.45%0.04816%0.161CC..Hα-helixtrans-60.2-53.5167.9-179.2-80.9000110.6F195 V226 K228 C234 A262 G263 A268 G269 Y270 G287 H288 A291F195-F266 HydrophobicContact CD1-CE1 4.48Å; F195-F266 HydrophobicContact CE1-CD1 4.48Å; F195-F266 HydrophobicContact CE1-CE1 4.32Å; V226-F266 HydrophobicContact CG1-CE1 3.96Å; K228-F266 HydrophobicContact CD-CB 4.46Å; K228-F266 HydrophobicContact CD-CD1 3.71Å; K228-F266 HydrophobicContact CD-CE1 4.38Å; K228-F266 HydrophobicContact CD-CG 4.28Å; K228-F266 HydrophobicContact CG-CD1 3.71Å; K228-F266 HydrophobicContact CG-CE1 3.91Å; K228-F266 HydrophobicContact CG-CG 4.35Å; C234-F266 HydrophobicContact CB-CE2 4.23Å; C234-F266 HydrophobicContact CB-CZ 3.82Å; C234-F266 VanDerWaalsContact SG-CZ 3.53Å; A262-F266 WeakPolarHBondContact O-CB 3.17Å; A262-F266 PolarHBondContact O-N 2.78Å; G263-F266 WeakPolarHBondContact O-CB 3.49Å; G263-F266 PolarHBondContact O-N 3.13Å; F266-A268 PolarHBondContact O-N 3.13Å; F266-G269 PolarHBondContact O-N 3.17Å; F266-Y270 HydrophobicContact CE1-CD2 4.29Å; F266-Y270 WeakPolarHBondContact O-CB 3.31Å; F266-Y270 PolarHBondContact O-N 2.93Å; F266-G287 WeakPolarHBondContact CD2-O 3.37Å; F266-G287 WeakPolarHBondContact O-CA 3.47Å; F266-H288 AromaticContact CE2-CE1 3.83Å; F266-H288 AromaticContact CE2-CG 3.84Å; F266-H288 AromaticContact CE2-ND1 3.67Å; F266-A291 HydrophobicContact CB-CB 4.05Å
267S98.9Very high96.7Very high0 Ų027.9 Ų27.90%018%0.178CC..Hα-helixtrans-57.5-41.1179.3-60.90000110.5D166 G263 D264 Y270 L271D166-S267 PolarHBondContact OD2-OG 2.94Å; G263-S267 PolarHBondContact O-N 3.2Å; G263-S267 PolarHBondContact O-OG 3.06Å; D264-S267 PolarHBondContact O-N 3.03Å; S267-Y270 PolarHBondContact O-N 3.02Å; S267-L271 WeakPolarHBondContact O-CB 3.26Å; S267-L271 VanDerWaalsContact O-CG 3.26Å; S267-L271 WeakPolarHBondContact O-CG 3.18Å; S267-L271 PolarHBondContact O-N 3.35Å
268A98.9Very high97Very high0 Ų023.6 Ų23.60%016%0.161CC..Hα-helixtrans-62.7-50175.700000114.1T33 Y36 I37 D264 S265 F266 Y270 L271 A272T33-A268 HydrophobicContact CG2-CB 4.01Å; T33-A268 VanDerWaalsContact O-CB 3.32Å; T33-A268 WeakPolarHBondContact O-CB 3.45Å; Y36-A268 HydrophobicContact CG-CB 4.47Å; I37-A268 HydrophobicContact CG1-CB 3.78Å; D264-A268 PolarHBondContact O-N 2.88Å; S265-A268 PolarHBondContact O-N 2.78Å; F266-A268 PolarHBondContact O-N 3.13Å; A268-Y270 VanDerWaalsContact C-N 3.28Å; A268-Y270 PolarHBondContact O-N 3.24Å; A268-L271 PolarHBondContact O-N 3.48Å; A268-A272 WeakPolarHBondContact O-CB 3.34Å; A268-A272 PolarHBondContact O-N 2.96Å
269G98.8Very high97.5Very high0 Ų025 Ų250%017%0.173CC..Hα-helixtrans-61.2-39.417800000112.1S265 F266 R286 T290S265-G269 PolarHBondContact O-N 2.82Å; F266-G269 PolarHBondContact O-N 3.17Å; G269-R286 WeakPolarHBondContact O-CG 3.38Å; G269-T290 WeakPolarHBondContact CA-OG1 3.45Å
270Y98.9Very high97.8Very high0 Ų021.5 Ų21.50%015%0.152CC..Hα-helixtrans-59.5-52.6173.8-171.3-78.3000111.4F195 E224 V226 V236 F266 S267 A268 A272 V273 R274 A283 A284F195-Y270 AromaticContact CE1-CD1 3.79Å; F195-Y270 HydrophobicContact CE1-CD1 3.79Å; F195-Y270 HydrophobicContact CE1-CD2 4.27Å; F195-Y270 HydrophobicContact CE1-CE1 4.44Å; F195-Y270 AromaticContact CE1-CG 3.68Å; F195-Y270 HydrophobicContact CE1-CG 3.68Å; F195-Y270 AromaticContact CZ-CD1 3.48Å; F195-Y270 HydrophobicContact CZ-CD1 3.48Å; F195-Y270 VanDerWaalsContact CZ-CD1 3.48Å; F195-Y270 HydrophobicContact CZ-CE1 4.2Å; F195-Y270 AromaticContact CZ-CG 3.82Å; F195-Y270 HydrophobicContact CZ-CG 3.82Å; E224-Y270 WeakPolarHBondContact OE1-CE1 3.11Å; E224-Y270 PolarHBondContact OE1-OH 2.95Å; V226-Y270 HydrophobicContact CG1-CD2 4.14Å; V226-Y270 HydrophobicContact CG1-CE2 3.99Å; V226-Y270 HydrophobicContact CG2-CE1 3.97Å; V226-Y270 HydrophobicContact CG2-CE2 3.95Å; V236-Y270 WeakPolarHBondContact CG1-OH 3.48Å; V236-Y270 HydrophobicContact CG2-CE2 3.9Å; F266-Y270 HydrophobicContact CE1-CD2 4.29Å; F266-Y270 WeakPolarHBondContact O-CB 3.31Å; F266-Y270 PolarHBondContact O-N 2.93Å; S267-Y270 PolarHBondContact O-N 3.02Å; A268-Y270 VanDerWaalsContact C-N 3.28Å; A268-Y270 PolarHBondContact O-N 3.24Å; Y270-A272 VanDerWaalsContact C-N 3.34Å; Y270-A272 PolarHBondContact O-N 3.07Å; Y270-V273 PolarHBondContact O-N 3.31Å; Y270-R274 HydrophobicContact CD1-CB 3.9Å; Y270-R274 HydrophobicContact CD1-CG 4.37Å; Y270-R274 HydrophobicContact CE1-CB 3.75Å; Y270-R274 HydrophobicContact CE1-CG 3.73Å; Y270-R274 VanDerWaalsContact O-CB 3.28Å; Y270-R274 WeakPolarHBondContact O-CB 3.5Å; Y270-R274 PolarHBondContact O-N 2.98Å; Y270-A283 WeakPolarHBondContact CA-O 3.42Å; Y270-A283 HydrophobicContact CD1-CB 3.96Å; Y270-A283 VanDerWaalsContact CD2-C 3.46Å; Y270-A283 HydrophobicContact CD2-CB 3.63Å; Y270-A283 HydrophobicContact CE1-CB 3.97Å; Y270-A283 HydrophobicContact CE2-CB 3.59Å; Y270-A283 HydrophobicContact CG-CB 3.81Å; Y270-A283 WeakPolarHBondContact O-CB 3.2Å; Y270-A284 HydrophobicContact CD2-CB 4.4Å; Y270-A284 HydrophobicContact CE2-CB 4.28Å
271L98.9Very high98.3Very high0 Ų024.4 Ų24.40%016%0.163CC..Hα-helixtrans-66.9-33.8-177.5-67.9177.1000112.9I5 I37 Y132 I164 F195 S267 A268 V273 R274 L275I5-L271 HydrophobicContact CD1-CD1 4.36Å; I37-L271 HydrophobicContact CD1-CB 4.12Å; I37-L271 HydrophobicContact CD1-CD1 4.05Å; I37-L271 HydrophobicContact CG1-CB 4.41Å; Y132-L271 HydrophobicContact CD2-CD1 3.61Å; Y132-L271 HydrophobicContact CE2-CD1 3.86Å; I164-L271 HydrophobicContact CD1-CD1 4.22Å; I164-L271 HydrophobicContact CD1-CD2 3.83Å; I164-L271 HydrophobicContact CG2-CD1 4.25Å; I164-L271 HydrophobicContact CG2-CD2 4.29Å; F195-L271 HydrophobicContact CE2-CD1 4.09Å; F195-L271 HydrophobicContact CE2-CD2 3.9Å; F195-L271 HydrophobicContact CE2-CG 3.94Å; F195-L271 HydrophobicContact CZ-CD1 4.48Å; F195-L271 HydrophobicContact CZ-CD2 3.94Å; F195-L271 HydrophobicContact CZ-CG 3.89Å; S267-L271 WeakPolarHBondContact O-CB 3.26Å; S267-L271 VanDerWaalsContact O-CG 3.26Å; S267-L271 WeakPolarHBondContact O-CG 3.18Å; S267-L271 PolarHBondContact O-N 3.35Å; A268-L271 PolarHBondContact O-N 3.48Å; L271-V273 PolarHBondContact O-N 2.91Å; L271-R274 PolarHBondContact O-N 3.26Å; L271-L275 HydrophobicContact CB-CD1 4.05Å; L271-L275 HydrophobicContact CB-CG 4.17Å; L271-L275 HydrophobicContact CD2-CD1 4.1Å; L271-L275 HydrophobicContact CD2-CD2 4.13Å; L271-L275 HydrophobicContact CD2-CG 4Å; L271-L275 VanDerWaalsContact O-CB 3.22Å; L271-L275 WeakPolarHBondContact O-CB 3.39Å; L271-L275 VanDerWaalsContact O-CG 3.27Å; L271-L275 WeakPolarHBondContact O-CG 3.38Å; L271-L275 PolarHBondContact O-N 2.89Å
272A98.7Very high98.5Very high4 Ų427.6 Ų27.63%0.03318%0.179CC..Hα-helixtrans-57.1-36.1176.600000112.5Q40 V41 A268 Y270 T276Q40-A272 HydrophobicContact CB-CB 3.71Å; V41-A272 HydrophobicContact CG1-CB 3.8Å; A268-A272 WeakPolarHBondContact O-CB 3.34Å; A268-A272 PolarHBondContact O-N 2.96Å; Y270-A272 VanDerWaalsContact C-N 3.34Å; Y270-A272 PolarHBondContact O-N 3.07Å; A272-T276 VanDerWaalsContact O-CG2 3.31Å; A272-T276 WeakPolarHBondContact O-CG2 3.49Å; A272-T276 PolarHBondContact O-OG1 2.97Å
273V98.7Very high98.6Very high23 Ų2326.3 Ų26.314%0.13917%0.168CC..Hα-helixtrans-89.1-47.2176.5170.70000111.7Y270 L271 L275 T276 G277 G278 D282 A283 R286Y270-V273 PolarHBondContact O-N 3.31Å; L271-V273 PolarHBondContact O-N 2.91Å; V273-L275 VanDerWaalsContact C-N 3.35Å; V273-L275 PolarHBondContact O-N 3.45Å; V273-T276 PolarHBondContact O-N 2.8Å; V273-T276 PolarHBondContact O-OG1 3.06Å; V273-T276 VanDerWaalsContact O-OG1 3.1Å; V273-G277 PolarHBondContact O-N 3Å; V273-G278 PolarHBondContact O-N 3.27Å; V273-D282 HydrophobicContact CG1-CB 4.03Å; V273-A283 HydrophobicContact CB-CB 4.25Å; V273-A283 HydrophobicContact CG1-CB 4.16Å; V273-R286 HydrophobicContact CB-CB 4.44Å; V273-R286 HydrophobicContact CG2-CB 3.57Å; V273-R286 HydrophobicContact CG2-CG 3.77Å
274R98.8Very high98.7Very high73 Ų7325 Ų2528%0.27516%0.155SC..Hα-helixtrans-62.3-42.7-174.6-168.772.8-176.696.53.9112E224 Y270 L271 T276 G277 G278 A283E224-R274 IonicContact OE1-NE 3.55Å; E224-R274 PolarHBondContact OE1-NE 3.37Å; E224-R274 IonicContact OE2-CZ 2.77Å; E224-R274 IonicContact OE2-NE 3.69Å; E224-R274 PolarHBondContact OE2-NE 3.13Å; E224-R274 IonicContact OE2-NH2 3.77Å; E224-R274 PolarHBondContact OE2-NH2 3.22Å; Y270-R274 HydrophobicContact CD1-CB 3.9Å; Y270-R274 HydrophobicContact CD1-CG 4.37Å; Y270-R274 HydrophobicContact CE1-CB 3.75Å; Y270-R274 HydrophobicContact CE1-CG 3.73Å; Y270-R274 VanDerWaalsContact O-CB 3.28Å; Y270-R274 WeakPolarHBondContact O-CB 3.5Å; Y270-R274 PolarHBondContact O-N 2.98Å; L271-R274 PolarHBondContact O-N 3.26Å; R274-T276 VanDerWaalsContact C-N 3.27Å; R274-T276 PolarHBondContact O-N 3.38Å; R274-G277 PolarHBondContact O-N 3.07Å; R274-G278 PolarHBondContact NH1-O 3Å; R274-A283 HydrophobicContact CB-CB 3.9Å
275L98.7Very high98.7Very high5 Ų528.6 Ų28.63%0.02617%0.17CC..THydrogen-bonded Turntrans-79.2-10.9-177.4-54.7-172.2000112.8K3 I5 L46 Y130 I164 L271 V273K3-L275 VanDerWaalsContact CE-O 3.29Å; K3-L275 WeakPolarHBondContact CE-O 3.33Å; K3-L275 PolarHBondContact NZ-O 2.97Å; I5-L275 HydrophobicContact CD1-CD1 3.84Å; L46-L275 HydrophobicContact CD2-CB 4.09Å; L46-L275 HydrophobicContact CD2-CD1 4.16Å; Y130-L275 HydrophobicContact CD1-CD1 4.26Å; Y130-L275 HydrophobicContact CD1-CD2 3.84Å; Y130-L275 HydrophobicContact CD2-CD1 3.93Å; Y130-L275 HydrophobicContact CE1-CD2 3.59Å; Y130-L275 HydrophobicContact CE2-CB 4.18Å; Y130-L275 HydrophobicContact CE2-CD1 4.23Å; Y130-L275 HydrophobicContact CE2-CD2 4.3Å; Y130-L275 HydrophobicContact CE2-CG 4.47Å; Y130-L275 HydrophobicContact CG-CD1 3.95Å; Y130-L275 HydrophobicContact CG-CD2 4.35Å; I164-L275 HydrophobicContact CD1-CD1 4.18Å; I164-L275 HydrophobicContact CD1-CD2 4.39Å; L271-L275 HydrophobicContact CB-CD1 4.05Å; L271-L275 HydrophobicContact CB-CG 4.17Å; L271-L275 HydrophobicContact CD2-CD1 4.1Å; L271-L275 HydrophobicContact CD2-CD2 4.13Å; L271-L275 HydrophobicContact CD2-CG 4Å; L271-L275 VanDerWaalsContact O-CB 3.22Å; L271-L275 WeakPolarHBondContact O-CB 3.39Å; L271-L275 VanDerWaalsContact O-CG 3.27Å; L271-L275 WeakPolarHBondContact O-CG 3.38Å; L271-L275 PolarHBondContact O-N 2.89Å; V273-L275 VanDerWaalsContact C-N 3.35Å; V273-L275 PolarHBondContact O-N 3.45Å
276T98.2Very high98.7Very high70 Ų7031.5 Ų31.543%0.42918%0.181SC..THydrogen-bonded Turntrans-1039.8174.957.90000113V41 A45 L46 A272 V273 R274V41-T276 HydrophobicContact CG1-CG2 4.24Å; A45-T276 HydrophobicContact CB-CG2 4.43Å; L46-T276 HydrophobicContact CB-CG2 4.5Å; A272-T276 VanDerWaalsContact O-CG2 3.31Å; A272-T276 WeakPolarHBondContact O-CG2 3.49Å; A272-T276 PolarHBondContact O-OG1 2.97Å; V273-T276 PolarHBondContact O-N 2.8Å; V273-T276 PolarHBondContact O-OG1 3.06Å; V273-T276 VanDerWaalsContact O-OG1 3.1Å; R274-T276 VanDerWaalsContact C-N 3.27Å; R274-T276 PolarHBondContact O-N 3.38Å
277G97.9Very high98.7Very high69 Ų6931 Ų3171%0.71118%0.179SC*.THydrogen-bonded Turntrans104.13.9170.100000115.3V273 R274V273-G277 PolarHBondContact O-N 3Å; R274-G277 PolarHBondContact O-N 3.07Å
278G98.4Very high98.6Very high20 Ų2031.7 Ų31.721%0.20618%0.182CC..  trans-70.9161.4175.500000114V273 R274V273-G278 PolarHBondContact O-N 3.27Å; R274-G278 PolarHBondContact NH1-O 3Å
279S98.6Very high98.6Very high50 Ų5034.7 Ų34.735%0.3520%0.197SC..  trans-69.6161.2176.474.30000111.9E281 D282 A283S279-E281 PolarHBondContact O-N 2.82Å; S279-D282 PolarHBondContact O-N 3.01Å; S279-D282 WeakPolarHBondContact OG-CB 3.44Å; S279-D282 PolarHBondContact OG-N 2.88Å; S279-D282 PolarHBondContact OG-OD2 3.13Å; S279-A283 VanDerWaalsContact O-CB 3.3Å; S279-A283 WeakPolarHBondContact O-CB 3.4Å; S279-A283 PolarHBondContact O-N 2.64Å
280A98.7Very high98.6Very high11 Ų1134.7 Ų34.79%0.09120%0.198CC..Hα-helixtrans-59.5-37172.800000112.2V236 I238 A284V236-A280 HydrophobicContact CB-CB 4.32Å; V236-A280 HydrophobicContact CG1-CB 3.89Å; I238-A280 HydrophobicContact CD1-CB 4.19Å; A280-A284 WeakPolarHBondContact O-CB 3.33Å; A280-A284 PolarHBondContact O-N 2.78Å
281E98.7Very high98.6Very high95 Ų9535.3 Ų35.344%0.44420%0.202SC..Hα-helixtrans-65.8-47.2177.7-167.7-170.2155.300111.4V244 V246 S279 A283 A284 K285V244-E281 HydrophobicContact CG1-CB 4.06Å; V244-E281 HydrophobicContact CG1-CG 4.37Å; V246-E281 HydrophobicContact CG2-CB 4.47Å; V246-E281 HydrophobicContact CG2-CG 3.81Å; S279-E281 PolarHBondContact O-N 2.82Å; E281-A283 VanDerWaalsContact C-N 3.33Å; E281-A283 PolarHBondContact O-N 3.27Å; E281-A284 PolarHBondContact O-N 3.35Å; E281-K285 WeakPolarHBondContact O-CG 3.32Å; E281-K285 PolarHBondContact O-N 3.45Å; E281-K285 WeakPolarHBondContact OE1-CE 3.22Å; E281-K285 IonicContact OE1-NZ 2.69Å; E281-K285 PolarHBondContact OE1-NZ 2.96Å
282D98.7Very high98.5Very high76 Ų7635.8 Ų35.841%0.40621%0.206SC..Hα-helixtrans-68.4-34.7178.9-61.9-41.8000111.9V273 S279 K285 R286V273-D282 HydrophobicContact CG1-CB 4.03Å; S279-D282 PolarHBondContact O-N 3.01Å; S279-D282 WeakPolarHBondContact OG-CB 3.44Å; S279-D282 PolarHBondContact OG-N 2.88Å; S279-D282 PolarHBondContact OG-OD2 3.13Å; D282-K285 PolarHBondContact O-N 3.12Å; D282-K285 IonicContact OD1-NZ 3.76Å; D282-R286 PolarHBondContact O-N 3.22Å
283A98.8Very high98.4Very high0 Ų036.4 Ų36.40%021%0.209CC..Hα-helixtrans-62.6-46.8172.600000111.5Y270 V273 R274 S279 E281 K285 R286 G287Y270-A283 WeakPolarHBondContact CA-O 3.42Å; Y270-A283 HydrophobicContact CD1-CB 3.96Å; Y270-A283 VanDerWaalsContact CD2-C 3.46Å; Y270-A283 HydrophobicContact CD2-CB 3.63Å; Y270-A283 HydrophobicContact CE1-CB 3.97Å; Y270-A283 HydrophobicContact CE2-CB 3.59Å; Y270-A283 HydrophobicContact CG-CB 3.81Å; Y270-A283 WeakPolarHBondContact O-CB 3.2Å; V273-A283 HydrophobicContact CB-CB 4.25Å; V273-A283 HydrophobicContact CG1-CB 4.16Å; R274-A283 HydrophobicContact CB-CB 3.9Å; S279-A283 VanDerWaalsContact O-CB 3.3Å; S279-A283 WeakPolarHBondContact O-CB 3.4Å; S279-A283 PolarHBondContact O-N 2.64Å; E281-A283 VanDerWaalsContact C-N 3.33Å; E281-A283 PolarHBondContact O-N 3.27Å; A283-K285 PolarHBondContact O-N 3.2Å; A283-R286 PolarHBondContact O-N 3.41Å; A283-G287 PolarHBondContact O-N 3.08Å
284A98.8Very high98.4Very high0 Ų035.3 Ų35.30%020%0.203CC..Hα-helixtrans-63.5-40175.500000112.4C234 V236 V246 Y270 A280 E281 R286 G287 H288C234-A284 HydrophobicContact CB-CB 4.29Å; V236-A284 HydrophobicContact CG2-CB 4.31Å; V246-A284 HydrophobicContact CB-CB 3.82Å; V246-A284 HydrophobicContact CG1-CB 4.12Å; V246-A284 HydrophobicContact CG2-CB 3.76Å; Y270-A284 HydrophobicContact CD2-CB 4.4Å; Y270-A284 HydrophobicContact CE2-CB 4.28Å; A280-A284 WeakPolarHBondContact O-CB 3.33Å; A280-A284 PolarHBondContact O-N 2.78Å; E281-A284 PolarHBondContact O-N 3.35Å; A284-R286 VanDerWaalsContact C-N 3.34Å; A284-R286 PolarHBondContact O-N 2.79Å; A284-G287 PolarHBondContact O-N 2.9Å; A284-H288 PolarHBondContact O-CD2 3.48Å; A284-H288 VanDerWaalsContact O-CD2 3.31Å; A284-H288 PolarHBondContact O-N 2.92Å
285K98.6Very high98.2Very high93 Ų9333.1 Ų33.140%0.40420%0.196SC..Hα-helixtrans-59.3-44.6173.1-74171.8-173157.70111.5V246 E281 D282 A283 H288 L289V246-K285 HydrophobicContact CG1-CG 3.79Å; E281-K285 WeakPolarHBondContact O-CG 3.32Å; E281-K285 PolarHBondContact O-N 3.45Å; E281-K285 WeakPolarHBondContact OE1-CE 3.22Å; E281-K285 IonicContact OE1-NZ 2.69Å; E281-K285 PolarHBondContact OE1-NZ 2.96Å; D282-K285 PolarHBondContact O-N 3.12Å; D282-K285 IonicContact OD1-NZ 3.76Å; A283-K285 PolarHBondContact O-N 3.2Å; K285-H288 PolarHBondContact O-N 3.24Å; K285-L289 WeakPolarHBondContact O-CB 3.16Å; K285-L289 PolarHBondContact O-N 3.18Å
286R98.7Very high98.1Very high62 Ų6235.3 Ų35.323%0.23421%0.206CC..Hα-helixtrans-66.9-43.5177.4-177.761.874.682.6-7.2111.7Q40 G269 V273 D282 A283 A284 H288 L289 T290Q40-R286 VanDerWaalsContact OE1-CD 3.22Å; G269-R286 WeakPolarHBondContact O-CG 3.38Å; V273-R286 HydrophobicContact CB-CB 4.44Å; V273-R286 HydrophobicContact CG2-CB 3.57Å; V273-R286 HydrophobicContact CG2-CG 3.77Å; D282-R286 PolarHBondContact O-N 3.22Å; A283-R286 PolarHBondContact O-N 3.41Å; A284-R286 VanDerWaalsContact C-N 3.34Å; A284-R286 PolarHBondContact O-N 2.79Å; R286-H288 VanDerWaalsContact C-N 3.31Å; R286-H288 PolarHBondContact O-N 3.41Å; R286-L289 PolarHBondContact O-N 3.42Å; R286-L289 VanDerWaalsContact O-N 3.14Å; R286-T290 PolarHBondContact O-N 3.27Å; R286-T290 PolarHBondContact O-OG1 3.09Å
287G98.7Very high98Very high0 Ų036.5 Ų36.50%020%0.204CC..Hα-helixtrans-53.8-47.9174.300000112F266 A283 A284 T290 A291F266-G287 WeakPolarHBondContact CD2-O 3.37Å; F266-G287 WeakPolarHBondContact O-CA 3.47Å; A283-G287 PolarHBondContact O-N 3.08Å; A284-G287 PolarHBondContact O-N 2.9Å; G287-T290 PolarHBondContact O-N 2.99Å; G287-A291 WeakPolarHBondContact O-CB 3.32Å; G287-A291 PolarHBondContact O-N 3.24Å
288H98.4Very high97.6Very high15 Ų1538.8 Ų38.87%0.06919%0.191CC..Hα-helixtrans-62-44.7174.9-78.6-52.8000112.8C234 V246 P247 A248 V249 F266 A284 K285 R286 A291 S292C234-H288 WeakPolarHBondContact CB-NE2 3.42Å; C234-H288 PolarHBondContact N-NE2 2.83Å; V246-H288 PolarHBondContact O-NE2 2.58Å; P247-H288 PolarHBondContact O-CD2 3.13Å; A248-H288 VanDerWaalsContact CA-CE1 3.45Å; A248-H288 WeakPolarHBondContact CA-CE1 3.4Å; V249-H288 HydrophobicContact CG2-CB 4.19Å; F266-H288 AromaticContact CE2-CE1 3.83Å; F266-H288 AromaticContact CE2-CG 3.84Å; F266-H288 AromaticContact CE2-ND1 3.67Å; A284-H288 PolarHBondContact O-CD2 3.48Å; A284-H288 VanDerWaalsContact O-CD2 3.31Å; A284-H288 PolarHBondContact O-N 2.92Å; K285-H288 PolarHBondContact O-N 3.24Å; R286-H288 VanDerWaalsContact C-N 3.31Å; R286-H288 PolarHBondContact O-N 3.41Å; H288-A291 PolarHBondContact O-N 3.01Å; H288-S292 WeakPolarHBondContact O-CB 3.36Å; H288-S292 PolarHBondContact O-N 3.48Å; H288-S292 PolarHBondContact O-OG 2.93Å
289L98.2Very high97.1Very high62 Ų6238.8 Ų38.833%0.32519%0.191SC..Hα-helixtrans-61.7-45.9178.9-179.960.2000111.6K285 R286 S292 T293 P308K285-L289 WeakPolarHBondContact O-CB 3.16Å; K285-L289 PolarHBondContact O-N 3.18Å; R286-L289 PolarHBondContact O-N 3.42Å; R286-L289 VanDerWaalsContact O-N 3.14Å; L289-S292 PolarHBondContact O-OG 3.16Å; L289-T293 WeakPolarHBondContact O-CB 3.5Å; L289-T293 PolarHBondContact O-N 3.26Å; L289-T293 PolarHBondContact O-OG1 3.48Å; L289-P308 HydrophobicContact CD1-CB 4.15Å; L289-P308 HydrophobicContact CD2-CB 3.8Å; L289-P308 HydrophobicContact CD2-CG 4.47Å; L289-P308 HydrophobicContact CG-CB 3.67Å; L289-P308 HydrophobicContact CG-CG 4.12Å
290T98.4Very high96.8Very high1 Ų136.7 Ų36.71%0.00618%0.177CC..Hα-helixtrans-60.8-53.7176.3-51.40000110.4Y36 Q40 S265 G269 R286 G287 S292 T293 V294Y36-T290 HydrophobicContact CD1-CG2 4.3Å; Y36-T290 HydrophobicContact CG-CG2 4.5Å; Q40-T290 PolarHBondContact NE2-OG1 3.44Å; Q40-T290 PolarHBondContact OE1-OG1 2.59Å; S265-T290 WeakPolarHBondContact O-CG2 3.45Å; G269-T290 WeakPolarHBondContact CA-OG1 3.45Å; R286-T290 PolarHBondContact O-N 3.27Å; R286-T290 PolarHBondContact O-OG1 3.09Å; G287-T290 PolarHBondContact O-N 2.99Å; T290-S292 PolarHBondContact O-N 3.31Å; T290-T293 PolarHBondContact O-N 2.89Å; T290-V294 HydrophobicContact CG2-CG2 4.47Å; T290-V294 WeakPolarHBondContact O-CG2 3.47Å; T290-V294 PolarHBondContact O-N 2.81Å
291A98.1Very high96.7Very high12 Ų1238.3 Ų38.310%0.09918%0.183CC..Hα-helixtrans-59.5-44.7-179.600000112.6A262 S265 F266 G287 H288 T293 V294 I295A262-A291 WeakPolarHBondContact O-CB 3.43Å; S265-A291 WeakPolarHBondContact OG-CA 3.18Å; F266-A291 HydrophobicContact CB-CB 4.05Å; G287-A291 WeakPolarHBondContact O-CB 3.32Å; G287-A291 PolarHBondContact O-N 3.24Å; H288-A291 PolarHBondContact O-N 3.01Å; A291-T293 PolarHBondContact O-N 3.36Å; A291-V294 PolarHBondContact O-N 2.96Å; A291-I295 WeakPolarHBondContact O-CG2 3.41Å; A291-I295 PolarHBondContact O-N 3.26Å; A291-I295 VanDerWaalsContact O-N 3.09Å
292S97.1Very high96.5Very high10 Ų1033.9 Ų33.97%0.0716%0.163CC..Hα-helixtrans-62.1-31.1177.4740000112.5L251 H288 L289 T290 Q296L251-S292 VanDerWaalsContact CD1-O 3.25Å; L251-S292 WeakPolarHBondContact CD1-O 3.17Å; H288-S292 WeakPolarHBondContact O-CB 3.36Å; H288-S292 PolarHBondContact O-N 3.48Å; H288-S292 PolarHBondContact O-OG 2.93Å; L289-S292 PolarHBondContact O-OG 3.16Å; T290-S292 PolarHBondContact O-N 3.31Å; S292-Q296 WeakPolarHBondContact O-CG 3.37Å; S292-Q296 PolarHBondContact O-NE2 3.07Å
293T97.9Very high96.4Very high17 Ų1733.4 Ų33.410%0.10416%0.164CC..Hα-helixtrans-75.7-44.4175.8-53.20000110.9L289 T290 A291 I295 Q296 Y297 I302 A306L289-T293 WeakPolarHBondContact O-CB 3.5Å; L289-T293 PolarHBondContact O-N 3.26Å; L289-T293 PolarHBondContact O-OG1 3.48Å; T290-T293 PolarHBondContact O-N 2.89Å; A291-T293 PolarHBondContact O-N 3.36Å; T293-I295 VanDerWaalsContact C-N 3.35Å; T293-I295 PolarHBondContact O-N 3.02Å; T293-Q296 WeakPolarHBondContact O-CB 3.36Å; T293-Q296 PolarHBondContact O-N 3.4Å; T293-Y297 HydrophobicContact CG2-CE2 4.48Å; T293-Y297 WeakPolarHBondContact O-CD2 3.45Å; T293-I302 HydrophobicContact CG2-CD1 4.06Å; T293-A306 WeakPolarHBondContact CG2-O 3.12Å
294V97.5Very high96.3Very high1 Ų138.8 Ų38.81%0.00618%0.184CC..Hα-helixtrans-58.3-44.8-179.3170.50000112Y36 A261 T290 A291 Q296 Y297 I302Y36-V294 HydrophobicContact CD1-CG2 4.43Å; Y36-V294 HydrophobicContact CE1-CG2 3.63Å; Y36-V294 HydrophobicContact CE2-CG2 4.07Å; Y36-V294 VanDerWaalsContact CZ-CG2 3.43Å; Y36-V294 VanDerWaalsContact OH-CG2 3.29Å; Y36-V294 WeakPolarHBondContact OH-CG2 3.42Å; A261-V294 HydrophobicContact CB-CG1 4.3Å; T290-V294 HydrophobicContact CG2-CG2 4.47Å; T290-V294 WeakPolarHBondContact O-CG2 3.47Å; T290-V294 PolarHBondContact O-N 2.81Å; A291-V294 PolarHBondContact O-N 2.96Å; V294-Q296 PolarHBondContact O-N 3.46Å; V294-Y297 PolarHBondContact O-N 2.88Å; V294-Y297 VanDerWaalsContact O-N 3.11Å; V294-I302 HydrophobicContact CB-CG2 4.35Å; V294-I302 HydrophobicContact CG1-CG2 4.21Å; V294-I302 HydrophobicContact CG2-CD1 4.16Å; V294-I302 HydrophobicContact CG2-CG2 4.31Å
295I96Very high96.1Very high27 Ų2746.9 Ų46.914%0.13822%0.222CC..THydrogen-bonded Turntrans-68.8-6.8-176.167.7177.6000115.1L251 V256 I257 D258 A262 A291 T293 Y297L251-I295 HydrophobicContact CD1-CD1 3.92Å; L251-I295 HydrophobicContact CD1-CG1 4.09Å; V256-I295 HydrophobicContact CG1-CB 4.44Å; V256-I295 HydrophobicContact CG1-CD1 4.22Å; V256-I295 HydrophobicContact CG2-CD1 4.01Å; I257-I295 PolarHBondContact N-O 2.87Å; D258-I295 PolarHBondContact N-O 2.95Å; D258-I295 WeakPolarHBondContact O-CA 3.45Å; D258-I295 WeakPolarHBondContact O-CB 3.31Å; A262-I295 HydrophobicContact CB-CG2 3.63Å; A291-I295 WeakPolarHBondContact O-CG2 3.41Å; A291-I295 PolarHBondContact O-N 3.26Å; A291-I295 VanDerWaalsContact O-N 3.09Å; T293-I295 VanDerWaalsContact C-N 3.35Å; T293-I295 PolarHBondContact O-N 3.02Å; I295-Y297 VanDerWaalsContact C-N 3.31Å
296Q96.6Very high96.1Very high50 Ų5043.1 Ų43.123%0.23421%0.208CC..THydrogen-bonded Turntrans-88.11.1176.3-63.9175.977.900113.3L251 K255 I257 S292 T293 V294L251-Q296 HydrophobicContact CD1-CG 4.32Å; K255-Q296 HydrophobicContact CB-CG 4.24Å; K255-Q296 WeakPolarHBondContact O-CA 3.11Å; K255-Q296 WeakPolarHBondContact O-CG 3.46Å; I257-Q296 WeakPolarHBondContact CD1-O 3.1Å; S292-Q296 WeakPolarHBondContact O-CG 3.37Å; S292-Q296 PolarHBondContact O-NE2 3.07Å; T293-Q296 WeakPolarHBondContact O-CB 3.36Å; T293-Q296 PolarHBondContact O-N 3.4Å; V294-Q296 PolarHBondContact O-N 3.46Å
297Y95.2Very high96Very high96 Ų9641.7 Ų41.738%0.37621%0.205SC..SBendtrans-131.3155.1179.8-64.1-94.9000109.8D258 T293 V294 I295 I302 A306D258-Y297 WeakPolarHBondContact CB-O 3.2Å; T293-Y297 HydrophobicContact CG2-CE2 4.48Å; T293-Y297 WeakPolarHBondContact O-CD2 3.45Å; V294-Y297 PolarHBondContact O-N 2.88Å; V294-Y297 VanDerWaalsContact O-N 3.11Å; I295-Y297 VanDerWaalsContact C-N 3.31Å; Y297-I302 HydrophobicContact CD2-CB 4.4Å; Y297-I302 HydrophobicContact CD2-CD1 4.47Å; Y297-I302 HydrophobicContact CD2-CG2 4.15Å; Y297-I302 HydrophobicContact CG-CB 4.3Å; Y297-I302 HydrophobicContact CG-CG2 4.1Å; Y297-A306 HydrophobicContact CD1-CB 4.39Å; Y297-A306 HydrophobicContact CD2-CB 4.3Å; Y297-A306 HydrophobicContact CE1-CB 3.78Å; Y297-A306 HydrophobicContact CE2-CB 3.7Å; Y297-A306 VanDerWaalsContact CZ-CB 3.41Å
298R89.1Confident95.4Very high116 Ų11642.8 Ų42.844%0.43821%0.212SC..SBendtrans-86136.3177.1177.2164.9147.1126.6-1.8110.6I257I257-R298 HydrophobicContact CG2-CB 4.28Å
299G88.6Confident94.4Very high21 Ų2148.9 Ų48.922%0.21627%0.265CS..SBendtrans95.4153.918000000113.1D258 I301D258-G299 PolarHBondContact OD2-N 3.22Å; D258-G299 VanDerWaalsContact OD2-N 3.1Å; G299-I301 PolarHBondContact O-N 2.78Å
300A92.4Very high94.2Very high6 Ų648.3 Ų48.35%0.0526%0.262CS..SBendtrans-69.6-28.5-171.200000114.6Y36 T260 A261Y36-A300 WeakPolarHBondContact CE2-O 3.16Å; Y36-A300 PolarHBondContact OH-O 3Å; T260-A300 HydrophobicContact CG2-CB 3.78Å; A261-A300 HydrophobicContact CB-CB 4.02Å; A261-A300 WeakPolarHBondContact CB-O 3.31Å
301I95.5Very high94Very high44 Ų4450.7 Ų50.723%0.22628%0.275CS..SBendtrans-117.8107.1177.7-60.7171.4000107.9F26 V35 Y36 G299F26-I301 HydrophobicContact CD2-CD1 4.35Å; F26-I301 HydrophobicContact CE2-CD1 3.67Å; V35-I301 HydrophobicContact CG1-CG2 4.01Å; V35-I301 HydrophobicContact CG2-CD1 4.18Å; Y36-I301 WeakPolarHBondContact OH-CA 3Å; G299-I301 PolarHBondContact O-N 2.78Å
302I96.3Very high93.8Very high2 Ų252.9 Ų52.91%0.0129%0.285CS..  trans-71.1161-179.970175.8000111.7Y36 R39 T293 V294 Y297 A306 M307Y36-I302 HydrophobicContact CE1-CD1 4.49Å; Y36-I302 HydrophobicContact CE1-CG1 4.04Å; Y36-I302 PolarHBondContact OH-N 3.44Å; Y36-I302 VanDerWaalsContact OH-N 3.1Å; R39-I302 PolarHBondContact NH1-O 3.41Å; R39-I302 PolarHBondContact NH2-O 3.35Å; R39-I302 VanDerWaalsContact NH2-O 3.08Å; T293-I302 HydrophobicContact CG2-CD1 4.06Å; V294-I302 HydrophobicContact CB-CG2 4.35Å; V294-I302 HydrophobicContact CG1-CG2 4.21Å; V294-I302 HydrophobicContact CG2-CD1 4.16Å; V294-I302 HydrophobicContact CG2-CG2 4.31Å; Y297-I302 HydrophobicContact CD2-CB 4.4Å; Y297-I302 HydrophobicContact CD2-CD1 4.47Å; Y297-I302 HydrophobicContact CD2-CG2 4.15Å; Y297-I302 HydrophobicContact CG-CB 4.3Å; Y297-I302 HydrophobicContact CG-CG2 4.1Å; I302-A306 HydrophobicContact CD1-CB 4.01Å; I302-A306 HydrophobicContact CG1-CB 4.37Å; I302-M307 HydrophobicContact CD1-SD 4.11Å; I302-M307 HydrophobicContact CG1-SD 4.31Å
303P96.4Very high93.6Very high67 Ų6755.4 Ų55.444%0.43530%0.298SS..  trans-53.5146.5171.8-26.135.8000112.3E305 A306P303-E305 PolarHBondContact O-N 3.25Å; P303-A306 HydrophobicContact CB-CB 4.29Å; P303-A306 WeakPolarHBondContact O-CB 3.37Å; P303-A306 PolarHBondContact O-N 3.24Å
304R95.4Very high93.3Very high113 Ų11357.8 Ų57.843%0.42631%0.31SS..G310 helixtrans-63.1-35.4-176.1-165.7172.5-171144-0.9111.6G69 E70 N71 A306 M307G69-R304 PolarHBondContact O-NH1 3.4Å; E70-R304 IonicContact OE2-NH1 3.97Å; N71-R304 PolarHBondContact OD1-NH2 2.83Å; N71-R304 VanDerWaalsContact OD1-NH2 3.16Å; R304-A306 PolarHBondContact O-N 3.16Å; R304-M307 WeakPolarHBondContact O-CB 3.34Å; R304-M307 PolarHBondContact O-N 2.95Å
305E96.1Very high93.1Very high170 Ų17061.6 Ų61.679%0.79433%0.33SS*.G310 helixtrans-70.8-14.4179.1-53.471.8-153.600112.8P303P303-E305 PolarHBondContact O-N 3.25Å
306A96.8Very high92.8Very high14 Ų1464.1 Ų64.112%0.11634%0.344CS..G310 helixtrans-89.5-6.7177.400000113.2T293 Y297 I302 P303 R304T293-A306 WeakPolarHBondContact CG2-O 3.12Å; Y297-A306 HydrophobicContact CD1-CB 4.39Å; Y297-A306 HydrophobicContact CD2-CB 4.3Å; Y297-A306 HydrophobicContact CE1-CB 3.78Å; Y297-A306 HydrophobicContact CE2-CB 3.7Å; Y297-A306 VanDerWaalsContact CZ-CB 3.41Å; I302-A306 HydrophobicContact CD1-CB 4.01Å; I302-A306 HydrophobicContact CG1-CB 4.37Å; P303-A306 HydrophobicContact CB-CB 4.29Å; P303-A306 WeakPolarHBondContact O-CB 3.37Å; P303-A306 PolarHBondContact O-N 3.24Å; R304-A306 PolarHBondContact O-N 3.16Å
307M97Very high92.6Very high32 Ų3265.2 Ų65.216%0.15835%0.352CS..SBendtrans-61.5143.5179.1-76.2-65.1-66.300111.7Y36 R39 Q40 I302 R304Y36-M307 HydrophobicContact CD1-CE 4Å; Y36-M307 HydrophobicContact CD1-SD 3.68Å; Y36-M307 HydrophobicContact CE1-SD 3.72Å; R39-M307 HydrophobicContact CB-CE 3.95Å; R39-M307 HydrophobicContact CB-CG 4.47Å; Q40-M307 HydrophobicContact CG-CE 3.65Å; I302-M307 HydrophobicContact CD1-SD 4.11Å; I302-M307 HydrophobicContact CG1-SD 4.31Å; R304-M307 WeakPolarHBondContact O-CB 3.34Å; R304-M307 PolarHBondContact O-N 2.95Å
308P87.4Confident92.3Very high23 Ų2362.6 Ų62.615%0.14935%0.35CS..  trans-64.3145.1172.128.7-33.6000110.5L289L289-P308 HydrophobicContact CD1-CB 4.15Å; L289-P308 HydrophobicContact CD2-CB 3.8Å; L289-P308 HydrophobicContact CD2-CG 4.47Å; L289-P308 HydrophobicContact CG-CB 3.67Å; L289-P308 HydrophobicContact CG-CG 4.12Å
309A76.9Confident92.6Very high143 Ų14357.7 Ų57.7100%1.18234%0.342SS*.  trans-65.30175.600000112.9

Retrieved 309 of 309 residues in 97.5 ms (Link to these results)

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