A0A077Z9C5_TRITR Loading...

Phosphoglucomutase 2

AlphaFold DB , UniProt , Accession A0A077Z9C5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,214 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
1M65.6Low82.9Confident133 Ų13357.8 Ų57.866%0.65537%0.371SS*.  076.50-68.6-178.3-125.100108.1I12 M16 I32M1-I12 HydrophobicContact CB-CG2 4.35Å; M1-M16 HydrophobicContact CE-CB 4.22Å; M1-M16 HydrophobicContact CE-CE 3.75Å; M1-M16 HydrophobicContact CE-CG 4.14Å; M1-M16 HydrophobicContact SD-CB 4.48Å; M1-M16 HydrophobicContact SD-CE 3.79Å; M1-M16 HydrophobicContact SD-CG 3.79Å; M1-M16 HydrophobicContact SD-SD 4.41Å; M1-I32 HydrophobicContact CB-CD1 4.31Å; M1-I32 HydrophobicContact SD-CD1 4.27Å
2S74.6Confident83.9Confident87 Ų8753 Ų5361%0.60834%0.34SS*.  trans-110.8134.2179.3163.70000108.5G4 D9S2-G4 PolarHBondContact OG-N 3.26Å; S2-D9 WeakPolarHBondContact CA-OD1 3.33Å; S2-D9 WeakPolarHBondContact CB-OD2 3.49Å; S2-D9 PolarHBondContact OG-OD2 2.86Å
3V79Confident84.8Confident9 Ų957.7 Ų57.76%0.05535%0.347CS..  trans-102.65.9171.1-60.90000111.6L8 D9 I12 I32 K37 L40V3-L8 HydrophobicContact CG2-CB 4.47Å; V3-L8 HydrophobicContact CG2-CD2 3.66Å; V3-L8 HydrophobicContact CG2-CG 3.91Å; V3-D9 WeakPolarHBondContact CG2-OD1 3.4Å; V3-D9 PolarHBondContact N-OD1 2.96Å; V3-I12 HydrophobicContact CG1-CD1 4.17Å; V3-I12 HydrophobicContact CG2-CD1 3.82Å; V3-I32 HydrophobicContact CG1-CG1 4.26Å; V3-I32 HydrophobicContact CG1-CG2 4.32Å; V3-K37 HydrophobicContact CB-CG 4.37Å; V3-K37 WeakPolarHBondContact O-CE 3.29Å; V3-K37 PolarHBondContact O-NZ 2.88Å; V3-L40 HydrophobicContact CG1-CD1 4.04Å
4G78.9Confident85.5Confident54 Ų5455.3 Ų55.356%0.55733%0.331SS*.SBendtrans80.522.8171.600000115S2 D9S2-G4 PolarHBondContact OG-N 3.26Å; G4-D9 PolarHBondContact N-OD1 3.29Å; G4-D9 PolarHBondContact N-OD2 3.33Å
5D78.9Confident86.2Confident49 Ų4951.6 Ų51.626%0.26231%0.309SS..  trans-125.6110.7166.9171-24000106.2A7 L8 D9 R41D5-A7 VanDerWaalsContact C-N 3.27Å; D5-A7 PolarHBondContact O-N 3.07Å; D5-A7 PolarHBondContact OD1-N 3Å; D5-A7 VanDerWaalsContact OD1-N 3.1Å; D5-L8 HydrophobicContact CB-CB 3.88Å; D5-L8 CarbonylContact O-C 3.51Å; D5-L8 PolarHBondContact O-N 3.34Å; D5-L8 VanDerWaalsContact O-N 3.08Å; D5-L8 PolarHBondContact OD1-N 3.32Å; D5-D9 VanDerWaalsContact O-CB 3.31Å; D5-D9 WeakPolarHBondContact O-CB 3.5Å; D5-D9 PolarHBondContact O-N 3.44Å; D5-R41 IonicContact OD2-NH1 2.77Å; D5-R41 PolarHBondContact OD2-NH1 3.11Å
6A83Confident86.7Confident85 Ų8549.3 Ų49.370%0.70230%0.295SS*.Hα-helixtrans-57.9-37.4-170.400000113.4E10A6-E10 WeakPolarHBondContact O-CB 3.42Å; A6-E10 PolarHBondContact O-N 2.81Å
7A82.8Confident87.2Confident56 Ų5651.9 Ų51.946%0.46330%0.303SS..Hα-helixtrans-70.3-41.5178.600000111D5 Q11D5-A7 VanDerWaalsContact C-N 3.27Å; D5-A7 PolarHBondContact O-N 3.07Å; D5-A7 PolarHBondContact OD1-N 3Å; D5-A7 VanDerWaalsContact OD1-N 3.1Å; A7-Q11 WeakPolarHBondContact O-CG 3.39Å; A7-Q11 PolarHBondContact O-N 3.07Å
8L91.1Very high87.7Confident2 Ų250.4 Ų50.41%0.0129%0.291CS..Hα-helixtrans-70-39.9176.7-178.155.1000112.1V3 D5 E10 Q11 I12 L40 R41 M44 I45V3-L8 HydrophobicContact CG2-CB 4.47Å; V3-L8 HydrophobicContact CG2-CD2 3.66Å; V3-L8 HydrophobicContact CG2-CG 3.91Å; D5-L8 HydrophobicContact CB-CB 3.88Å; D5-L8 CarbonylContact O-C 3.51Å; D5-L8 PolarHBondContact O-N 3.34Å; D5-L8 VanDerWaalsContact O-N 3.08Å; D5-L8 PolarHBondContact OD1-N 3.32Å; L8-E10 VanDerWaalsContact C-N 3.32Å; L8-E10 PolarHBondContact O-N 3Å; L8-Q11 PolarHBondContact O-N 3.39Å; L8-I12 HydrophobicContact CD1-CD1 4.16Å; L8-I12 HydrophobicContact CD1-CG1 4.28Å; L8-I12 HydrophobicContact CG-CD1 3.85Å; L8-I12 HydrophobicContact CG-CG1 4.43Å; L8-I12 WeakPolarHBondContact O-CB 3.48Å; L8-I12 VanDerWaalsContact O-CG1 3.29Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.11Å; L8-L40 HydrophobicContact CD1-CB 4.22Å; L8-L40 HydrophobicContact CD2-CB 4.02Å; L8-R41 HydrophobicContact CD2-CB 4.42Å; L8-M44 HydrophobicContact CD1-CB 3.57Å; L8-M44 HydrophobicContact CD1-CG 3.99Å; L8-I45 HydrophobicContact CB-CD1 4.33Å; L8-I45 HydrophobicContact CD1-CD1 4.22Å; L8-I45 HydrophobicContact CD1-CG1 4.38Å
9D91.3Very high88.2Confident26 Ų2647.8 Ų47.814%0.13928%0.276CS..Hα-helixtrans-62.1-41.5177.3-72.9-15.7000111.1S2 V3 G4 D5 I12 R13S2-D9 WeakPolarHBondContact CA-OD1 3.33Å; S2-D9 WeakPolarHBondContact CB-OD2 3.49Å; S2-D9 PolarHBondContact OG-OD2 2.86Å; V3-D9 WeakPolarHBondContact CG2-OD1 3.4Å; V3-D9 PolarHBondContact N-OD1 2.96Å; G4-D9 PolarHBondContact N-OD1 3.29Å; G4-D9 PolarHBondContact N-OD2 3.33Å; D5-D9 VanDerWaalsContact O-CB 3.31Å; D5-D9 WeakPolarHBondContact O-CB 3.5Å; D5-D9 PolarHBondContact O-N 3.44Å; D9-I12 PolarHBondContact O-N 3.38Å; D9-R13 VanDerWaalsContact O-CB 3.26Å; D9-R13 WeakPolarHBondContact O-CB 3.48Å; D9-R13 PolarHBondContact O-N 3.4Å
10E92.7Very high88.5Confident79 Ų7951.3 Ų51.337%0.36929%0.288SS..Hα-helixtrans-63.9-44.9174.3-179.857.3-166.900111.2A6 L8 I12 R13 L14A6-E10 WeakPolarHBondContact O-CB 3.42Å; A6-E10 PolarHBondContact O-N 2.81Å; L8-E10 VanDerWaalsContact C-N 3.32Å; L8-E10 PolarHBondContact O-N 3Å; E10-I12 VanDerWaalsContact C-N 3.35Å; E10-I12 PolarHBondContact O-N 2.96Å; E10-R13 PolarHBondContact O-N 2.99Å; E10-R13 IonicContact OE1-CZ 3.84Å; E10-R13 IonicContact OE1-NE 3.18Å; E10-R13 IonicContact OE1-NH2 3.7Å; E10-R13 PolarHBondContact OE1-NH2 2.96Å; E10-R13 IonicContact OE2-CZ 2.78Å; E10-R13 IonicContact OE2-NE 3.17Å; E10-R13 PolarHBondContact OE2-NE 3.49Å; E10-R13 IonicContact OE2-NH2 2.66Å; E10-R13 PolarHBondContact OE2-NH2 3.08Å; E10-L14 HydrophobicContact CG-CD1 4.18Å; E10-L14 WeakPolarHBondContact O-CB 3.43Å; E10-L14 VanDerWaalsContact O-CG 3.25Å; E10-L14 WeakPolarHBondContact O-CG 3.5Å; E10-L14 PolarHBondContact O-N 3.05Å
11Q94.4Very high88.9Confident56 Ų5650 Ų5026%0.26228%0.281SS..Hα-helixtrans-63-39.9175.1-66-54.7-59.700112.3A7 L8 L14 W15 M44 I45 F63A7-Q11 WeakPolarHBondContact O-CG 3.39Å; A7-Q11 PolarHBondContact O-N 3.07Å; L8-Q11 PolarHBondContact O-N 3.39Å; Q11-L14 PolarHBondContact O-N 2.99Å; Q11-W15 VanDerWaalsContact O-CB 3.23Å; Q11-W15 WeakPolarHBondContact O-CB 3.32Å; Q11-W15 PolarHBondContact O-N 3.46Å; Q11-M44 HydrophobicContact CB-CB 3.99Å; Q11-I45 HydrophobicContact CG-CD1 3.89Å; Q11-F63 HydrophobicContact CB-CD2 4.43Å; Q11-F63 HydrophobicContact CB-CE2 4.17Å; Q11-F63 WeakPolarHBondContact O-CE2 3.49Å; Q11-F63 VanDerWaalsContact OE1-CD2 3.26Å; Q11-F63 VanDerWaalsContact OE1-CE2 3.26Å
12I95.2Very high90.3Very high0 Ų051.6 Ų51.60%029%0.286CS..Hα-helixtrans-64.2-43.2175.1-72.7167000110.3M1 V3 L8 D9 E10 W15 M16 I32 L40 M44M1-I12 HydrophobicContact CB-CG2 4.35Å; V3-I12 HydrophobicContact CG1-CD1 4.17Å; V3-I12 HydrophobicContact CG2-CD1 3.82Å; L8-I12 HydrophobicContact CD1-CD1 4.16Å; L8-I12 HydrophobicContact CD1-CG1 4.28Å; L8-I12 HydrophobicContact CG-CD1 3.85Å; L8-I12 HydrophobicContact CG-CG1 4.43Å; L8-I12 WeakPolarHBondContact O-CB 3.48Å; L8-I12 VanDerWaalsContact O-CG1 3.29Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 3.11Å; D9-I12 PolarHBondContact O-N 3.38Å; E10-I12 VanDerWaalsContact C-N 3.35Å; E10-I12 PolarHBondContact O-N 2.96Å; I12-W15 PolarHBondContact O-N 2.97Å; I12-M16 HydrophobicContact CG2-CG 4.22Å; I12-M16 WeakPolarHBondContact O-CB 3.46Å; I12-M16 VanDerWaalsContact O-CG 3.23Å; I12-M16 WeakPolarHBondContact O-CG 3.35Å; I12-M16 PolarHBondContact O-N 3.42Å; I12-I32 HydrophobicContact CD1-CG1 4.4Å; I12-I32 HydrophobicContact CG2-CD1 3.67Å; I12-L40 HydrophobicContact CD1-CD1 4.19Å; I12-L40 HydrophobicContact CD1-CD2 4.35Å; I12-M44 HydrophobicContact CG1-CG 4.31Å
13R95.1Very high91.3Very high114 Ų11454.1 Ų54.143%0.4329%0.286SS..Hα-helixtrans-60.3-50.2177.9-171.5-165.769.269.90110.4D9 E10 W15 M16 E17D9-R13 VanDerWaalsContact O-CB 3.26Å; D9-R13 WeakPolarHBondContact O-CB 3.48Å; D9-R13 PolarHBondContact O-N 3.4Å; E10-R13 PolarHBondContact O-N 2.99Å; E10-R13 IonicContact OE1-CZ 3.84Å; E10-R13 IonicContact OE1-NE 3.18Å; E10-R13 IonicContact OE1-NH2 3.7Å; E10-R13 PolarHBondContact OE1-NH2 2.96Å; E10-R13 IonicContact OE2-CZ 2.78Å; E10-R13 IonicContact OE2-NE 3.17Å; E10-R13 PolarHBondContact OE2-NE 3.49Å; E10-R13 IonicContact OE2-NH2 2.66Å; E10-R13 PolarHBondContact OE2-NH2 3.08Å; R13-W15 VanDerWaalsContact C-N 3.35Å; R13-W15 PolarHBondContact O-N 3.14Å; R13-M16 PolarHBondContact O-N 3.22Å; R13-E17 IonicContact CZ-OE2 3.96Å; R13-E17 IonicContact NH1-OE2 3.14Å; R13-E17 PolarHBondContact NH1-OE2 3.46Å; R13-E17 WeakPolarHBondContact O-CB 3.16Å; R13-E17 PolarHBondContact O-N 3.26Å
14L95.1Very high92.1Very high24 Ų2454.2 Ų54.213%0.12629%0.287CS..Hα-helixtrans-60.6-43.5176.2-67.7173.5000111.5E10 Q11 E17 W18 F63E10-L14 HydrophobicContact CG-CD1 4.18Å; E10-L14 WeakPolarHBondContact O-CB 3.43Å; E10-L14 VanDerWaalsContact O-CG 3.25Å; E10-L14 WeakPolarHBondContact O-CG 3.5Å; E10-L14 PolarHBondContact O-N 3.05Å; Q11-L14 PolarHBondContact O-N 2.99Å; L14-E17 PolarHBondContact O-N 2.64Å; L14-W18 HydrophobicContact CB-CD2 4.31Å; L14-W18 HydrophobicContact CB-CE3 4.03Å; L14-W18 HydrophobicContact CB-CH2 4.08Å; L14-W18 HydrophobicContact CB-CZ2 4.35Å; L14-W18 HydrophobicContact CB-CZ3 3.89Å; L14-W18 HydrophobicContact CD1-CH2 3.98Å; L14-W18 HydrophobicContact CD1-CZ3 4.34Å; L14-W18 HydrophobicContact CD2-CH2 3.85Å; L14-W18 HydrophobicContact CD2-CZ2 3.57Å; L14-W18 HydrophobicContact CG-CH2 4.19Å; L14-W18 HydrophobicContact CG-CZ2 4.37Å; L14-W18 HydrophobicContact CG-CZ3 4.48Å; L14-W18 VanDerWaalsContact O-CB 3.29Å; L14-W18 WeakPolarHBondContact O-CB 3.37Å; L14-W18 PolarHBondContact O-N 3.31Å; L14-F63 HydrophobicContact CB-CZ 4.27Å
15W95.8Very high93Very high0 Ų054.3 Ų54.30%027%0.27CS..Hα-helixtrans-58.1-50.8174.9179.3-83.6000111.5Q11 I12 R13 E17 W18 D19 M44 A61 F63 N67 L69Q11-W15 VanDerWaalsContact O-CB 3.23Å; Q11-W15 WeakPolarHBondContact O-CB 3.32Å; Q11-W15 PolarHBondContact O-N 3.46Å; I12-W15 PolarHBondContact O-N 2.97Å; R13-W15 VanDerWaalsContact C-N 3.35Å; R13-W15 PolarHBondContact O-N 3.14Å; W15-E17 PolarHBondContact O-N 3.48Å; W15-W18 PolarHBondContact O-N 3.24Å; W15-D19 HydrophobicContact CD2-CB 4.27Å; W15-D19 HydrophobicContact CG-CB 4.5Å; W15-D19 HydrophobicContact CZ2-CB 4Å; W15-D19 WeakPolarHBondContact CZ2-OD2 3.46Å; W15-D19 PolarHBondContact NE1-OD2 3.38Å; W15-D19 WeakPolarHBondContact O-CB 3.39Å; W15-D19 PolarHBondContact O-N 3.42Å; W15-M44 HydrophobicContact CB-CE 4.08Å; W15-M44 HydrophobicContact CB-SD 4.04Å; W15-M44 HydrophobicContact CD2-CE 3.93Å; W15-M44 HydrophobicContact CD2-SD 4.17Å; W15-M44 HydrophobicContact CE3-SD 4.23Å; W15-M44 HydrophobicContact CG-CE 3.68Å; W15-M44 HydrophobicContact CG-SD 4.08Å; W15-A61 HydrophobicContact CZ2-CB 3.84Å; W15-F63 HydrophobicContact CB-CE2 4.17Å; W15-F63 HydrophobicContact CB-CZ 4.03Å; W15-F63 AromaticContact CE3-CD1 3.96Å; W15-F63 HydrophobicContact CE3-CD1 3.96Å; W15-F63 HydrophobicContact CE3-CD2 4.45Å; W15-F63 AromaticContact CE3-CE1 3.82Å; W15-F63 HydrophobicContact CE3-CE1 3.82Å; W15-F63 HydrophobicContact CE3-CE2 4.32Å; W15-F63 HydrophobicContact CE3-CG 4.28Å; W15-F63 HydrophobicContact CE3-CZ 4.01Å; W15-F63 HydrophobicContact CZ3-CD1 4.18Å; W15-F63 HydrophobicContact CZ3-CE1 4.34Å; W15-N67 HydrophobicContact CH2-CB 4.37Å; W15-N67 VanDerWaalsContact CH2-CG 3.48Å; W15-N67 WeakPolarHBondContact CH2-ND2 3.33Å; W15-N67 WeakPolarHBondContact CH2-OD1 3.19Å; W15-L69 HydrophobicContact CD2-CD2 4.37Å; W15-L69 HydrophobicContact CE3-CD2 3.83Å; W15-L69 HydrophobicContact CH2-CB 4.31Å; W15-L69 HydrophobicContact CH2-CD2 4.39Å; W15-L69 HydrophobicContact CZ3-CB 4.33Å; W15-L69 HydrophobicContact CZ3-CD2 3.83Å; W15-L69 HydrophobicContact CZ3-CG 4.5Å
16M94.6Very high93.8Very high15 Ų1554.3 Ų54.37%0.07428%0.277CS..Hα-helixtrans-71.7-18.1-179-64.7-56.2-71.300113.3M1 I12 R13 R25 V28 E29M1-M16 HydrophobicContact CE-CB 4.22Å; M1-M16 HydrophobicContact CE-CE 3.75Å; M1-M16 HydrophobicContact CE-CG 4.14Å; M1-M16 HydrophobicContact SD-CB 4.48Å; M1-M16 HydrophobicContact SD-CE 3.79Å; M1-M16 HydrophobicContact SD-CG 3.79Å; M1-M16 HydrophobicContact SD-SD 4.41Å; I12-M16 HydrophobicContact CG2-CG 4.22Å; I12-M16 WeakPolarHBondContact O-CB 3.46Å; I12-M16 VanDerWaalsContact O-CG 3.23Å; I12-M16 WeakPolarHBondContact O-CG 3.35Å; I12-M16 PolarHBondContact O-N 3.42Å; R13-M16 PolarHBondContact O-N 3.22Å; M16-R25 HydrophobicContact CE-CB 4.34Å; M16-R25 PolarHBondContact O-NH1 2.83Å; M16-V28 HydrophobicContact SD-CB 4.28Å; M16-V28 HydrophobicContact SD-CG1 4.01Å; M16-E29 HydrophobicContact CE-CG 3.62Å; M16-E29 WeakPolarHBondContact CE-OE1 3.37Å
17E94.8Very high94.4Very high93 Ų9352.8 Ų52.844%0.43526%0.256SS..Hα-helixtrans-78.4-48.6170.9-173-175.2146.400110.7R13 L14 W15 K20R13-E17 IonicContact CZ-OE2 3.96Å; R13-E17 IonicContact NH1-OE2 3.14Å; R13-E17 PolarHBondContact NH1-OE2 3.46Å; R13-E17 WeakPolarHBondContact O-CB 3.16Å; R13-E17 PolarHBondContact O-N 3.26Å; L14-E17 PolarHBondContact O-N 2.64Å; W15-E17 PolarHBondContact O-N 3.48Å; E17-K20 PolarHBondContact O-NZ 3.1Å
18W96.5Very high95Very high26 Ų2650.1 Ų50.110%0.09823%0.234CC..Hα-helixtrans-85.9-44.1-170-63-18.6000113.9L14 W15 K20 F63 L69 L187 P189 W194L14-W18 HydrophobicContact CB-CD2 4.31Å; L14-W18 HydrophobicContact CB-CE3 4.03Å; L14-W18 HydrophobicContact CB-CH2 4.08Å; L14-W18 HydrophobicContact CB-CZ2 4.35Å; L14-W18 HydrophobicContact CB-CZ3 3.89Å; L14-W18 HydrophobicContact CD1-CH2 3.98Å; L14-W18 HydrophobicContact CD1-CZ3 4.34Å; L14-W18 HydrophobicContact CD2-CH2 3.85Å; L14-W18 HydrophobicContact CD2-CZ2 3.57Å; L14-W18 HydrophobicContact CG-CH2 4.19Å; L14-W18 HydrophobicContact CG-CZ2 4.37Å; L14-W18 HydrophobicContact CG-CZ3 4.48Å; L14-W18 VanDerWaalsContact O-CB 3.29Å; L14-W18 WeakPolarHBondContact O-CB 3.37Å; L14-W18 PolarHBondContact O-N 3.31Å; W15-W18 PolarHBondContact O-N 3.24Å; W18-K20 PolarHBondContact O-N 2.92Å; W18-F63 AromaticContact CE3-CE1 3.86Å; W18-F63 HydrophobicContact CE3-CE1 3.86Å; W18-F63 AromaticContact CE3-CZ 3.82Å; W18-F63 HydrophobicContact CE3-CZ 3.82Å; W18-F63 HydrophobicContact CZ3-CE1 4.03Å; W18-F63 AromaticContact CZ3-CZ 3.9Å; W18-F63 HydrophobicContact CZ3-CZ 3.9Å; W18-L69 HydrophobicContact CB-CD1 3.88Å; W18-L69 HydrophobicContact CB-CD2 3.87Å; W18-L187 HydrophobicContact CH2-CB 3.81Å; W18-L187 HydrophobicContact CH2-CD1 4.46Å; W18-L187 HydrophobicContact CZ2-CB 4.43Å; W18-L187 HydrophobicContact CZ3-CB 4.07Å; W18-P189 HydrophobicContact CB-CG 3.95Å; W18-P189 HydrophobicContact CG-CG 4.46Å; W18-W194 WeakPolarHBondContact O-CZ2 3.25Å
19D96.7Very high95.2Very high0 Ų054.3 Ų54.30%025%0.253CS..  trans-68.9127.2-177.9-173.125.1000110.8W15 N21 T24 R25 L69 W194W15-D19 HydrophobicContact CD2-CB 4.27Å; W15-D19 HydrophobicContact CG-CB 4.5Å; W15-D19 HydrophobicContact CZ2-CB 4Å; W15-D19 WeakPolarHBondContact CZ2-OD2 3.46Å; W15-D19 PolarHBondContact NE1-OD2 3.38Å; W15-D19 WeakPolarHBondContact O-CB 3.39Å; W15-D19 PolarHBondContact O-N 3.42Å; D19-N21 PolarHBondContact OD1-N 2.99Å; D19-N21 VanDerWaalsContact OD1-N 3.08Å; D19-T24 WeakPolarHBondContact OD2-CB 3.27Å; D19-T24 PolarHBondContact OD2-OG1 2.99Å; D19-R25 HydrophobicContact CB-CG 4.24Å; D19-R25 WeakPolarHBondContact O-CD 3.32Å; D19-R25 PolarHBondContact O-NH1 3.25Å; D19-R25 WeakPolarHBondContact OD2-CG 3.49Å; D19-R25 PolarHBondContact OD2-N 3.21Å; D19-L69 HydrophobicContact CB-CD2 4.04Å; D19-W194 WeakPolarHBondContact OD1-CH2 3.37Å
20K95Very high95.4Very high117 Ų11759.4 Ų59.451%0.50927%0.274SS..  trans-111.3-0.8175.3-53.7-57.2-176.5-160.90112.8E17 W18 E22 W194E17-K20 PolarHBondContact O-NZ 3.1Å; W18-K20 PolarHBondContact O-N 2.92Å; K20-E22 PolarHBondContact O-N 3.05Å; K20-W194 HydrophobicContact CB-CD2 3.66Å; K20-W194 HydrophobicContact CB-CE3 3.74Å; K20-W194 HydrophobicContact CB-CG 4.2Å; K20-W194 HydrophobicContact CB-CH2 4.18Å; K20-W194 HydrophobicContact CB-CZ2 4.11Å; K20-W194 HydrophobicContact CB-CZ3 3.99Å; K20-W194 HydrophobicContact CG-CD2 3.78Å; K20-W194 HydrophobicContact CG-CE3 4.36Å; K20-W194 HydrophobicContact CG-CG 4.07Å; K20-W194 HydrophobicContact CG-CZ2 3.96Å
21N95.5Very high95.5Very high26 Ų2656.8 Ų56.814%0.13926%0.262CS..  trans-77.6113.6176-179.2-40.7000110.2D19 K23 T24 R25 D68 W194D19-N21 PolarHBondContact OD1-N 2.99Å; D19-N21 VanDerWaalsContact OD1-N 3.08Å; N21-K23 PolarHBondContact O-N 2.9Å; N21-K23 WeakPolarHBondContact OD1-CA 3.43Å; N21-K23 VanDerWaalsContact OD1-CB 3.29Å; N21-K23 WeakPolarHBondContact OD1-CB 3.34Å; N21-K23 PolarHBondContact OD1-N 2.92Å; N21-T24 WeakPolarHBondContact CB-OG1 3.43Å; N21-T24 PolarHBondContact O-N 3.35Å; N21-T24 PolarHBondContact O-OG1 2.92Å; N21-T24 PolarHBondContact OD1-N 2.86Å; N21-R25 WeakPolarHBondContact O-CB 3.45Å; N21-R25 WeakPolarHBondContact O-CG 3.39Å; N21-R25 PolarHBondContact O-N 3.48Å; N21-D68 WeakPolarHBondContact CB-OD2 3.43Å; N21-D68 PolarHBondContact ND2-OD2 3.22Å; N21-W194 HydrophobicContact CB-CZ3 4.42Å
22E95.5Very high95.3Very high166 Ų16655.7 Ų55.778%0.77626%0.258SS*.Hα-helixtrans-58.6-34-176.5-63.1-176.2168.300113.2K20 A26K20-E22 PolarHBondContact O-N 3.05Å; E22-A26 WeakPolarHBondContact O-CB 3.29Å; E22-A26 PolarHBondContact O-N 3.48Å
23K95.7Very high95Very high140 Ų14064.2 Ų64.261%0.60930%0.295SS*.Hα-helixtrans-66.5-50.1179.5-175-174.9178.4-1760111.2N21 A26 E27N21-K23 PolarHBondContact O-N 2.9Å; N21-K23 WeakPolarHBondContact OD1-CA 3.43Å; N21-K23 VanDerWaalsContact OD1-CB 3.29Å; N21-K23 WeakPolarHBondContact OD1-CB 3.34Å; N21-K23 PolarHBondContact OD1-N 2.92Å; K23-A26 PolarHBondContact O-N 3Å; K23-E27 WeakPolarHBondContact O-CG 3.29Å; K23-E27 PolarHBondContact O-N 3.26Å
24T96.2Very high94.7Very high10 Ų1063.3 Ų63.36%0.06130%0.299CS..Hα-helixtrans-74.2-30.6-178.548.10000112.3D19 N21 E27 V28 A61 N67D19-T24 WeakPolarHBondContact OD2-CB 3.27Å; D19-T24 PolarHBondContact OD2-OG1 2.99Å; N21-T24 WeakPolarHBondContact CB-OG1 3.43Å; N21-T24 PolarHBondContact O-N 3.35Å; N21-T24 PolarHBondContact O-OG1 2.92Å; N21-T24 PolarHBondContact OD1-N 2.86Å; T24-E27 WeakPolarHBondContact O-CB 3.45Å; T24-E27 PolarHBondContact O-N 2.78Å; T24-V28 WeakPolarHBondContact O-CG2 3.28Å; T24-V28 PolarHBondContact O-N 3.06Å; T24-V28 VanDerWaalsContact O-N 3.11Å; T24-A61 HydrophobicContact CG2-CB 4.26Å; T24-A61 VanDerWaalsContact O-CB 3.24Å; T24-A61 WeakPolarHBondContact O-CB 3.33Å; T24-N67 HydrophobicContact CG2-CB 4.45Å
25R96.6Very high94.2Very high56 Ų5665.8 Ų65.821%0.21131%0.312CS..Hα-helixtrans-61-49166.7-69.3174.769.483.97.7111.4M16 D19 N21 E27 V28 E29M16-R25 HydrophobicContact CE-CB 4.34Å; M16-R25 PolarHBondContact O-NH1 2.83Å; D19-R25 HydrophobicContact CB-CG 4.24Å; D19-R25 WeakPolarHBondContact O-CD 3.32Å; D19-R25 PolarHBondContact O-NH1 3.25Å; D19-R25 WeakPolarHBondContact OD2-CG 3.49Å; D19-R25 PolarHBondContact OD2-N 3.21Å; N21-R25 WeakPolarHBondContact O-CB 3.45Å; N21-R25 WeakPolarHBondContact O-CG 3.39Å; N21-R25 PolarHBondContact O-N 3.48Å; R25-E27 VanDerWaalsContact C-N 3.28Å; R25-E27 PolarHBondContact O-N 2.95Å; R25-V28 PolarHBondContact O-N 2.91Å; R25-V28 VanDerWaalsContact O-N 3.08Å; R25-E29 WeakPolarHBondContact O-CB 3.21Å; R25-E29 WeakPolarHBondContact O-CG 3.28Å; R25-E29 PolarHBondContact O-N 3.33Å
26A96Very high93.8Very high49 Ų4967.2 Ų67.241%0.40532%0.324SS..Hα-helixtrans-62.5-34.6177.600000112.2E22 K23 K30E22-A26 WeakPolarHBondContact O-CB 3.29Å; E22-A26 PolarHBondContact O-N 3.48Å; K23-A26 PolarHBondContact O-N 3Å; A26-K30 WeakPolarHBondContact O-CB 3.37Å; A26-K30 PolarHBondContact O-N 2.98Å
27E96.4Very high93.3Very high54 Ų5469 Ų6925%0.25233%0.331SS..Hα-helixtrans-59.7-45.8171-77176.8-15000111.6K23 T24 R25 K30 L31 R43 A61K23-E27 WeakPolarHBondContact O-CG 3.29Å; K23-E27 PolarHBondContact O-N 3.26Å; T24-E27 WeakPolarHBondContact O-CB 3.45Å; T24-E27 PolarHBondContact O-N 2.78Å; R25-E27 VanDerWaalsContact C-N 3.28Å; R25-E27 PolarHBondContact O-N 2.95Å; E27-K30 PolarHBondContact O-N 3.33Å; E27-L31 WeakPolarHBondContact O-CB 3.39Å; E27-L31 VanDerWaalsContact O-CG 3.26Å; E27-L31 WeakPolarHBondContact O-CG 3.4Å; E27-L31 PolarHBondContact O-N 2.85Å; E27-R43 IonicContact OE2-NH1 2.82Å; E27-R43 PolarHBondContact OE2-NH1 2.88Å; E27-A61 HydrophobicContact CB-CB 3.98Å; E27-A61 PolarHBondContact OE2-N 2.9Å
28V95.8Very high92.7Very high0 Ų071.2 Ų71.20%035%0.346CS..Hα-helixtrans-69.2-43.9178.5174.20000111M16 T24 R25 K30 L31 I32 L40 M44 A61M16-V28 HydrophobicContact SD-CB 4.28Å; M16-V28 HydrophobicContact SD-CG1 4.01Å; T24-V28 WeakPolarHBondContact O-CG2 3.28Å; T24-V28 PolarHBondContact O-N 3.06Å; T24-V28 VanDerWaalsContact O-N 3.11Å; R25-V28 PolarHBondContact O-N 2.91Å; R25-V28 VanDerWaalsContact O-N 3.08Å; V28-K30 VanDerWaalsContact C-N 3.27Å; V28-K30 PolarHBondContact O-N 2.94Å; V28-L31 PolarHBondContact O-N 3.37Å; V28-I32 HydrophobicContact CG1-CD1 3.61Å; V28-I32 HydrophobicContact CG1-CG1 4.25Å; V28-I32 WeakPolarHBondContact O-CB 3.26Å; V28-I32 WeakPolarHBondContact O-CD1 3.36Å; V28-I32 WeakPolarHBondContact O-CG1 3.36Å; V28-I32 PolarHBondContact O-N 3.42Å; V28-L40 HydrophobicContact CG1-CD2 4.26Å; V28-M44 HydrophobicContact CB-CE 4.17Å; V28-M44 HydrophobicContact CG1-CE 3.71Å; V28-M44 HydrophobicContact CG2-CE 3.29Å; V28-A61 HydrophobicContact CG2-CB 3.4Å
29E95Very high92.3Very high89 Ų8973 Ų7342%0.41636%0.356SS..Hα-helixtrans-59.2-40.1174.6-72.1173.7-178.100111.4M16 R25 I32 K33M16-E29 HydrophobicContact CE-CG 3.62Å; M16-E29 WeakPolarHBondContact CE-OE1 3.37Å; R25-E29 WeakPolarHBondContact O-CB 3.21Å; R25-E29 WeakPolarHBondContact O-CG 3.28Å; R25-E29 PolarHBondContact O-N 3.33Å; E29-I32 PolarHBondContact O-N 2.74Å; E29-K33 VanDerWaalsContact O-CB 3.23Å; E29-K33 WeakPolarHBondContact O-CB 3.05Å; E29-K33 PolarHBondContact O-N 3.35Å
30K94.9Very high92.1Very high133 Ų13373 Ų7358%0.57836%0.356SS*.Hα-helixtrans-65.7-48173.3-176.5-176.8175.8-171.10111.4A26 E27 V28 I32 K33 D34A26-K30 WeakPolarHBondContact O-CB 3.37Å; A26-K30 PolarHBondContact O-N 2.98Å; E27-K30 PolarHBondContact O-N 3.33Å; V28-K30 VanDerWaalsContact C-N 3.27Å; V28-K30 PolarHBondContact O-N 2.94Å; K30-I32 VanDerWaalsContact C-N 3.26Å; K30-I32 PolarHBondContact O-N 3.39Å; K30-K33 CarbonylContact O-C 3.58Å; K30-K33 WeakPolarHBondContact O-CB 3.48Å; K30-K33 PolarHBondContact O-N 2.92Å; K30-K33 VanDerWaalsContact O-N 3.12Å; K30-D34 WeakPolarHBondContact CE-OD2 3.27Å; K30-D34 WeakPolarHBondContact CG-OD2 3.27Å; K30-D34 VanDerWaalsContact O-CB 3.31Å; K30-D34 WeakPolarHBondContact O-CB 3.38Å; K30-D34 PolarHBondContact O-N 3.19Å
31L94.1Very high91.8Very high25 Ų2572.4 Ų72.413%0.13135%0.35CS..Hα-helixtrans-61.9-34.5177.1-71.8171.2000112.2E27 V28 N35 A36 E39 L40E27-L31 WeakPolarHBondContact O-CB 3.39Å; E27-L31 VanDerWaalsContact O-CG 3.26Å; E27-L31 WeakPolarHBondContact O-CG 3.4Å; E27-L31 PolarHBondContact O-N 2.85Å; V28-L31 PolarHBondContact O-N 3.37Å; L31-N35 PolarHBondContact O-N 3.05Å; L31-A36 HydrophobicContact CB-CB 4.39Å; L31-A36 HydrophobicContact CD2-CB 3.71Å; L31-A36 PolarHBondContact O-N 3.39Å; L31-E39 HydrophobicContact CD1-CG 4.38Å; L31-E39 HydrophobicContact CD2-CB 4.39Å; L31-E39 HydrophobicContact CD2-CG 4.08Å; L31-L40 HydrophobicContact CB-CD1 4.33Å; L31-L40 HydrophobicContact CB-CD2 3.75Å; L31-L40 HydrophobicContact CB-CG 3.87Å; L31-L40 HydrophobicContact CD1-CD2 4.13Å
32I91Very high91.2Very high33 Ų3373.2 Ų73.217%0.16936%0.361CS..Hα-helixtrans-67.4-46.8172.4-69.5163.6000110M1 V3 I12 V28 E29 K30 D34 N35 L40M1-I32 HydrophobicContact CB-CD1 4.31Å; M1-I32 HydrophobicContact SD-CD1 4.27Å; V3-I32 HydrophobicContact CG1-CG1 4.26Å; V3-I32 HydrophobicContact CG1-CG2 4.32Å; I12-I32 HydrophobicContact CD1-CG1 4.4Å; I12-I32 HydrophobicContact CG2-CD1 3.67Å; V28-I32 HydrophobicContact CG1-CD1 3.61Å; V28-I32 HydrophobicContact CG1-CG1 4.25Å; V28-I32 WeakPolarHBondContact O-CB 3.26Å; V28-I32 WeakPolarHBondContact O-CD1 3.36Å; V28-I32 WeakPolarHBondContact O-CG1 3.36Å; V28-I32 PolarHBondContact O-N 3.42Å; E29-I32 PolarHBondContact O-N 2.74Å; K30-I32 VanDerWaalsContact C-N 3.26Å; K30-I32 PolarHBondContact O-N 3.39Å; I32-D34 VanDerWaalsContact C-N 3.29Å; I32-D34 PolarHBondContact O-N 2.99Å; I32-N35 WeakPolarHBondContact O-CA 3.35Å; I32-N35 PolarHBondContact O-N 3.27Å; I32-L40 HydrophobicContact CG1-CD1 4.08Å; I32-L40 HydrophobicContact CG1-CD2 4.44Å
33K88.6Confident91.1Very high179 Ų17967.6 Ų67.678%0.77833%0.332SS*.Hα-helixtrans-60.7-39.1176.9-178.1-178.1176.9-177.30112E29 K30 N35E29-K33 VanDerWaalsContact O-CB 3.23Å; E29-K33 WeakPolarHBondContact O-CB 3.05Å; E29-K33 PolarHBondContact O-N 3.35Å; K30-K33 CarbonylContact O-C 3.58Å; K30-K33 WeakPolarHBondContact O-CB 3.48Å; K30-K33 PolarHBondContact O-N 2.92Å; K30-K33 VanDerWaalsContact O-N 3.12Å; K33-N35 PolarHBondContact O-N 3.1Å
34D89.2Confident91.1Very high95 Ų9560.9 Ų60.951%0.50830%0.303SS..THydrogen-bonded Turntrans-81.9-2.4177.5-63.1-12000111.7K30 I32 A36K30-D34 WeakPolarHBondContact CE-OD2 3.27Å; K30-D34 WeakPolarHBondContact CG-OD2 3.27Å; K30-D34 VanDerWaalsContact O-CB 3.31Å; K30-D34 WeakPolarHBondContact O-CB 3.38Å; K30-D34 PolarHBondContact O-N 3.19Å; I32-D34 VanDerWaalsContact C-N 3.29Å; I32-D34 PolarHBondContact O-N 2.99Å; D34-A36 PolarHBondContact O-N 2.92Å
35N84.7Confident90.7Very high76 Ų7662.9 Ų62.941%0.40631%0.313SS..THydrogen-bonded Turntrans51.235.6-177.6-166.638.6000113.6L31 I32 K33 K37L31-N35 PolarHBondContact O-N 3.05Å; I32-N35 WeakPolarHBondContact O-CA 3.35Å; I32-N35 PolarHBondContact O-N 3.27Å; K33-N35 PolarHBondContact O-N 3.1Å; N35-K37 PolarHBondContact O-N 3.5Å; N35-K37 WeakPolarHBondContact OD1-CE 3.47Å
36A86.2Confident90.2Very high30 Ų3062.1 Ų62.125%0.24832%0.323CS..  trans-77.762.7-176.600000112L31 D34 D38 E39 L40L31-A36 HydrophobicContact CB-CB 4.39Å; L31-A36 HydrophobicContact CD2-CB 3.71Å; L31-A36 PolarHBondContact O-N 3.39Å; D34-A36 PolarHBondContact O-N 2.92Å; A36-D38 PolarHBondContact O-N 3.33Å; A36-E39 HydrophobicContact CB-CB 4.4Å; A36-E39 PolarHBondContact O-N 3.34Å; A36-L40 WeakPolarHBondContact O-CG 3.23Å; A36-L40 PolarHBondContact O-N 3.06Å
37K84.8Confident89.8Confident51 Ų5162.9 Ų62.922%0.22232%0.315CS..Hα-helixtrans-57.8-40.8-171.5-65.8-173.7-170.4-168.70114.3V3 N35 L40 R41V3-K37 HydrophobicContact CB-CG 4.37Å; V3-K37 WeakPolarHBondContact O-CE 3.29Å; V3-K37 PolarHBondContact O-NZ 2.88Å; N35-K37 PolarHBondContact O-N 3.5Å; N35-K37 WeakPolarHBondContact OD1-CE 3.47Å; K37-L40 PolarHBondContact O-N 2.75Å; K37-R41 VanDerWaalsContact O-CB 3.32Å; K37-R41 WeakPolarHBondContact O-CB 3.28Å; K37-R41 PolarHBondContact O-N 3.43Å
38D81.9Confident89.1Confident140 Ų14061.4 Ų61.475%0.74931%0.309SS*.Hα-helixtrans-67.2-41.3-178.8-67.8-29.5000111.5A36 R41 A42A36-D38 PolarHBondContact O-N 3.33Å; D38-R41 PolarHBondContact O-N 3.28Å; D38-A42 WeakPolarHBondContact O-CB 3.33Å; D38-A42 PolarHBondContact O-N 3.04Å
39E87.6Confident88Confident65 Ų6566.3 Ų66.330%0.30434%0.339SS..Hα-helixtrans-69-41.3175.4-174.359.1-157.900111.3L31 A36 R41 A42 R43 R65L31-E39 HydrophobicContact CD1-CG 4.38Å; L31-E39 HydrophobicContact CD2-CB 4.39Å; L31-E39 HydrophobicContact CD2-CG 4.08Å; A36-E39 HydrophobicContact CB-CB 4.4Å; A36-E39 PolarHBondContact O-N 3.34Å; E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 3.04Å; E39-A42 PolarHBondContact O-N 3.43Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 2.89Å; E39-R43 IonicContact OE1-CZ 3.4Å; E39-R43 VanDerWaalsContact OE1-CZ 3.29Å; E39-R43 IonicContact OE1-NE 2.65Å; E39-R43 PolarHBondContact OE1-NE 3.46Å; E39-R43 IonicContact OE1-NH2 3.93Å; E39-R43 PolarHBondContact OE1-NH2 3.33Å; E39-R65 IonicContact OE1-NH2 3.29Å; E39-R65 PolarHBondContact OE1-NH2 3.25Å
40L93.1Very high86.9Confident0 Ų063.9 Ų63.90%033%0.327CS..Hα-helixtrans-57.2-44.4171-77.7167.4000110.8V3 L8 I12 V28 L31 I32 A36 K37 R43 M44V3-L40 HydrophobicContact CG1-CD1 4.04Å; L8-L40 HydrophobicContact CD1-CB 4.22Å; L8-L40 HydrophobicContact CD2-CB 4.02Å; I12-L40 HydrophobicContact CD1-CD1 4.19Å; I12-L40 HydrophobicContact CD1-CD2 4.35Å; V28-L40 HydrophobicContact CG1-CD2 4.26Å; L31-L40 HydrophobicContact CB-CD1 4.33Å; L31-L40 HydrophobicContact CB-CD2 3.75Å; L31-L40 HydrophobicContact CB-CG 3.87Å; L31-L40 HydrophobicContact CD1-CD2 4.13Å; I32-L40 HydrophobicContact CG1-CD1 4.08Å; I32-L40 HydrophobicContact CG1-CD2 4.44Å; A36-L40 WeakPolarHBondContact O-CG 3.23Å; A36-L40 PolarHBondContact O-N 3.06Å; K37-L40 PolarHBondContact O-N 2.75Å; L40-R43 PolarHBondContact O-N 2.96Å; L40-M44 HydrophobicContact CD2-CE 4.42Å; L40-M44 WeakPolarHBondContact O-CB 3.18Å; L40-M44 WeakPolarHBondContact O-CG 3.44Å; L40-M44 PolarHBondContact O-N 3.35Å
41R89.3Confident85.5Confident104 Ų10459.3 Ų59.339%0.39232%0.318SS..Hα-helixtrans-64.7-44.8178.6-162.9-175.1-179.786.33.3111.6D5 L8 K37 D38 E39 R43 M44 I45D5-R41 IonicContact OD2-NH1 2.77Å; D5-R41 PolarHBondContact OD2-NH1 3.11Å; L8-R41 HydrophobicContact CD2-CB 4.42Å; K37-R41 VanDerWaalsContact O-CB 3.32Å; K37-R41 WeakPolarHBondContact O-CB 3.28Å; K37-R41 PolarHBondContact O-N 3.43Å; D38-R41 PolarHBondContact O-N 3.28Å; E39-R41 VanDerWaalsContact C-N 3.3Å; E39-R41 PolarHBondContact O-N 3.04Å; R41-R43 PolarHBondContact O-N 3.35Å; R41-M44 PolarHBondContact O-N 3.11Å; R41-I45 HydrophobicContact CB-CG1 4.44Å; R41-I45 HydrophobicContact CG-CB 4.18Å; R41-I45 HydrophobicContact CG-CG1 3.51Å; R41-I45 WeakPolarHBondContact O-CB 3.39Å; R41-I45 PolarHBondContact O-N 3.14Å
42A83.4Confident84.1Confident43 Ų4361.9 Ų61.936%0.35533%0.334SS..Hα-helixtrans-62.4-29177.400000112.6D38 E39 K64D38-A42 WeakPolarHBondContact O-CB 3.33Å; D38-A42 PolarHBondContact O-N 3.04Å; E39-A42 PolarHBondContact O-N 3.43Å; A42-K64 WeakPolarHBondContact O-CD 3.48Å
43R93.3Very high83Confident47 Ų4760.9 Ų60.918%0.17733%0.331CS..Hα-helixtrans-87.2-38.6177.4-73.6177.8-173.8-140.95.3114.1E27 E39 L40 R41 A61 G62 F63 K64 R65E27-R43 IonicContact OE2-NH1 2.82Å; E27-R43 PolarHBondContact OE2-NH1 2.88Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 VanDerWaalsContact O-CG 3.24Å; E39-R43 WeakPolarHBondContact O-CG 3.28Å; E39-R43 PolarHBondContact O-N 2.89Å; E39-R43 IonicContact OE1-CZ 3.4Å; E39-R43 VanDerWaalsContact OE1-CZ 3.29Å; E39-R43 IonicContact OE1-NE 2.65Å; E39-R43 PolarHBondContact OE1-NE 3.46Å; E39-R43 IonicContact OE1-NH2 3.93Å; E39-R43 PolarHBondContact OE1-NH2 3.33Å; L40-R43 PolarHBondContact O-N 2.96Å; R41-R43 PolarHBondContact O-N 3.35Å; R43-A61 WeakPolarHBondContact CB-O 3.18Å; R43-A61 VanDerWaalsContact CD-O 3.25Å; R43-A61 WeakPolarHBondContact CD-O 3.33Å; R43-A61 WeakPolarHBondContact CG-O 3.49Å; R43-G62 CarbonylContact O-C 3.59Å; R43-G62 WeakPolarHBondContact O-CA 3.31Å; R43-F63 PolarHBondContact O-N 3.41Å; R43-K64 WeakPolarHBondContact O-CB 3.25Å; R43-K64 PolarHBondContact O-N 3.02Å; R43-R65 HydrophobicContact CB-CG 4.38Å; R43-R65 HydrophobicContact CG-CG 3.92Å
44M94Very high82.8Confident0 Ų052.5 Ų52.50%030%0.296CS..Hα-helixtrans-100.3-33.5-166.6-65.1-65.7-17900114.1L8 Q11 I12 W15 V28 L40 R41 G46 F63L8-M44 HydrophobicContact CD1-CB 3.57Å; L8-M44 HydrophobicContact CD1-CG 3.99Å; Q11-M44 HydrophobicContact CB-CB 3.99Å; I12-M44 HydrophobicContact CG1-CG 4.31Å; W15-M44 HydrophobicContact CB-CE 4.08Å; W15-M44 HydrophobicContact CB-SD 4.04Å; W15-M44 HydrophobicContact CD2-CE 3.93Å; W15-M44 HydrophobicContact CD2-SD 4.17Å; W15-M44 HydrophobicContact CE3-SD 4.23Å; W15-M44 HydrophobicContact CG-CE 3.68Å; W15-M44 HydrophobicContact CG-SD 4.08Å; V28-M44 HydrophobicContact CB-CE 4.17Å; V28-M44 HydrophobicContact CG1-CE 3.71Å; V28-M44 HydrophobicContact CG2-CE 3.29Å; L40-M44 HydrophobicContact CD2-CE 4.42Å; L40-M44 WeakPolarHBondContact O-CB 3.18Å; L40-M44 WeakPolarHBondContact O-CG 3.44Å; L40-M44 PolarHBondContact O-N 3.35Å; R41-M44 PolarHBondContact O-N 3.11Å; M44-G46 PolarHBondContact O-N 2.86Å; M44-F63 HydrophobicContact SD-CD2 4.4Å
45I89.5Confident82.8Confident51 Ų5148.3 Ų48.326%0.26227%0.273SS..SBendtrans-83.5117-175.5-58.8-55.9000110.1L8 Q11 R41L8-I45 HydrophobicContact CB-CD1 4.33Å; L8-I45 HydrophobicContact CD1-CD1 4.22Å; L8-I45 HydrophobicContact CD1-CG1 4.38Å; Q11-I45 HydrophobicContact CG-CD1 3.89Å; R41-I45 HydrophobicContact CB-CG1 4.44Å; R41-I45 HydrophobicContact CG-CB 4.18Å; R41-I45 HydrophobicContact CG-CG1 3.51Å; R41-I45 WeakPolarHBondContact O-CB 3.39Å; R41-I45 PolarHBondContact O-N 3.14Å
46G86Confident83Confident41 Ų4148.1 Ų48.142%0.42327%0.267SS..SBendtrans85.8-178.8-177.200000112.7M44 F63M44-G46 PolarHBondContact O-N 2.86Å; G46-F63 WeakPolarHBondContact O-CB 3.33Å
47R86.3Confident83.2Confident65 Ų6547.4 Ų47.425%0.24526%0.262CS..  trans-127.2162.5-179.5-62.2-175.266.884.1-0.8110.7T49 F63R47-T49 PolarHBondContact O-N 3.06Å; R47-F63 WeakPolarHBondContact CA-O 3.42Å; R47-F63 HydrophobicContact CG-CB 4.31Å
48I83Confident83.6Confident23 Ų2347.3 Ų47.312%0.11827%0.266CS..PPolyproline II helixtrans-63.1127.6166.5-55177.6000108.2L55 R56 F63 M66I48-L55 HydrophobicContact CB-CD2 4.33Å; I48-L55 HydrophobicContact CG2-CB 3.94Å; I48-L55 HydrophobicContact CG2-CD2 4.03Å; I48-L55 WeakPolarHBondContact O-CD2 3.36Å; I48-R56 VanDerWaalsContact CG2-O 3.31Å; I48-R56 WeakPolarHBondContact CG2-O 3.4Å; I48-F63 PolarHBondContact N-O 3.3Å; I48-M66 HydrophobicContact CD1-CG 3.84Å; I48-M66 HydrophobicContact CD1-SD 3.61Å
49T72.5Confident84.3Confident103 Ų10342.2 Ų42.263%0.63224%0.238SC*.PPolyproline II helixtrans-89.5149.8175.453.20000110.6R47 G51R47-T49 PolarHBondContact O-N 3.06Å; T49-G51 PolarHBondContact O-N 3.37Å
50F70.5Confident84.7Confident38 Ų3839.6 Ų39.617%0.16723%0.228CC..PPolyproline II helixtrans-61.9123.8170.6-91.4-111.6000110.3L55 V163 L171 V179 L180 I183F50-L55 HydrophobicContact CD2-CD2 3.38Å; F50-L55 HydrophobicContact CD2-CG 4.13Å; F50-L55 HydrophobicContact CE2-CD1 4.48Å; F50-L55 HydrophobicContact CE2-CD2 3.63Å; F50-L55 HydrophobicContact CE2-CG 3.94Å; F50-L55 HydrophobicContact CG-CD2 4.15Å; F50-L55 HydrophobicContact CZ-CG 4.45Å; F50-V163 HydrophobicContact CE1-CG2 4.23Å; F50-V163 HydrophobicContact CZ-CG2 4.34Å; F50-L171 HydrophobicContact CE1-CD1 4.16Å; F50-V179 HydrophobicContact CZ-CG1 4.27Å; F50-L180 HydrophobicContact CB-CD1 4.45Å; F50-L180 HydrophobicContact CB-CD2 4.45Å; F50-L180 HydrophobicContact CD2-CD2 3.31Å; F50-L180 HydrophobicContact CD2-CG 3.96Å; F50-L180 HydrophobicContact CE2-CD2 3.81Å; F50-L180 HydrophobicContact CE2-CG 4.38Å; F50-L180 HydrophobicContact CG-CD2 4.16Å; F50-L180 HydrophobicContact CG-CG 4.47Å; F50-I183 HydrophobicContact CE2-CD1 3.82Å; F50-I183 HydrophobicContact CZ-CD1 4.4Å
51G66.5Low84.9Confident37 Ų3739.6 Ų39.638%0.38123%0.228SC..  trans-82.4-150.1167.200000111.6T49 A53 G54T49-G51 PolarHBondContact O-N 3.37Å; G51-A53 VanDerWaalsContact C-N 3.34Å; G51-A53 PolarHBondContact O-N 3.24Å; G51-G54 PolarHBondContact N-O 3.34Å
52T65.6Low85.2Confident79 Ų7934.6 Ų34.649%0.48521%0.209SC..SBendtrans-64.2-34.617840.60000113.7
53A67.8Low85.8Confident11 Ų1132.7 Ų32.79%0.09119%0.193CC..SBendtrans-122.6-7.4-172.300000114.9G51 K162 V163 Q170G51-A53 VanDerWaalsContact C-N 3.34Å; G51-A53 PolarHBondContact O-N 3.24Å; A53-K162 HydrophobicContact CB-CG 4.29Å; A53-K162 WeakPolarHBondContact O-CA 3.45Å; A53-V163 PolarHBondContact O-N 3.24Å; A53-Q170 VanDerWaalsContact CB-CD 3.5Å; A53-Q170 HydrophobicContact CB-CG 4.4Å
54G83.1Confident85.8Confident4 Ų435.4 Ų35.44%0.04121%0.206CC..EExtended strand (participates in β ladder)trans151.5-161.6-171.300000114.2G51 Y161G51-G54 PolarHBondContact N-O 3.34Å; G54-Y161 CarbonylContact C-O 3.59Å; G54-Y161 WeakPolarHBondContact CA-O 3.31Å
55L89.7Confident85.9Confident6 Ų637.9 Ų37.93%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-83.9140.1175.8-53.4177000110.5I48 F50 M66 V70 S74 G160 Y161I48-L55 HydrophobicContact CB-CD2 4.33Å; I48-L55 HydrophobicContact CG2-CB 3.94Å; I48-L55 HydrophobicContact CG2-CD2 4.03Å; I48-L55 WeakPolarHBondContact O-CD2 3.36Å; F50-L55 HydrophobicContact CD2-CD2 3.38Å; F50-L55 HydrophobicContact CD2-CG 4.13Å; F50-L55 HydrophobicContact CE2-CD1 4.48Å; F50-L55 HydrophobicContact CE2-CD2 3.63Å; F50-L55 HydrophobicContact CE2-CG 3.94Å; F50-L55 HydrophobicContact CG-CD2 4.15Å; F50-L55 HydrophobicContact CZ-CG 4.45Å; L55-M66 HydrophobicContact CB-SD 4.31Å; L55-V70 HydrophobicContact CD1-CG1 4.41Å; L55-S74 WeakPolarHBondContact CD1-OG 3.33Å; L55-G160 CarbonylContact O-C 3.53Å; L55-G160 WeakPolarHBondContact O-CA 3.26Å; L55-Y161 PolarHBondContact N-O 3.34Å; L55-Y161 PolarHBondContact O-N 2.9Å
56R88.9Confident86.2Confident73 Ų7335.5 Ų35.528%0.27520%0.203SC..EExtended strand (participates in β ladder)trans-143.7140.6172-68.7-174.2-175.1-174.71.5110.5I48I48-R56 VanDerWaalsContact CG2-O 3.31Å; I48-R56 WeakPolarHBondContact CG2-O 3.4Å
57G90.2Very high86.8Confident15 Ų1533.8 Ų33.816%0.15518%0.184CC..EExtended strand (participates in β ladder)trans176.8167.2172.600000113.3M66 N159G57-M66 VanDerWaalsContact O-CG 3.27Å; G57-M66 WeakPolarHBondContact O-CG 3.46Å; G57-N159 PolarHBondContact N-O 3.09Å; G57-N159 VanDerWaalsContact N-O 3.11Å; G57-N159 PolarHBondContact O-N 3.29Å
58T93.4Very high87.3Confident49 Ų4930.8 Ų30.830%0.30117%0.173SC..EExtended strand (participates in β ladder)trans-59.9136.2176-44.60000110.6R65 M66 D157 D158T58-R65 CarbonylContact O-C 3.57Å; T58-R65 VanDerWaalsContact O-CA 3.28Å; T58-R65 WeakPolarHBondContact O-CA 3.33Å; T58-R65 WeakPolarHBondContact O-CB 3.42Å; T58-R65 WeakPolarHBondContact O-CD 3.2Å; T58-M66 PolarHBondContact O-N 3.38Å; T58-D157 CarbonylContact C-O 3.54Å; T58-D157 HydrophobicContact CG2-CB 3.97Å; T58-D158 WeakPolarHBondContact CA-OD1 3.49Å; T58-D158 WeakPolarHBondContact CB-OD1 3.38Å; T58-D158 PolarHBondContact N-OD1 2.94Å; T58-D158 VanDerWaalsContact N-OD1 3.14Å; T58-D158 PolarHBondContact OG1-OD1 2.93Å
59M96.3Very high88Confident33 Ų3329.7 Ų29.716%0.16317%0.168CC..BIsolated β-bridgetrans-69.2145.5174-69.9-177.7-81.200111.2M66 H102 N103 F107 K156 D157 N159M59-M66 VanDerWaalsContact CA-O 3.25Å; M59-M66 WeakPolarHBondContact CA-O 3.37Å; M59-M66 HydrophobicContact CG-CB 4.1Å; M59-H102 HydrophobicContact CE-CB 4.1Å; M59-N103 HydrophobicContact SD-CB 4.19Å; M59-N103 PolarHBondContact SD-ND2 2.83Å; M59-N103 VanDerWaalsContact SD-ND2 3.43Å; M59-F107 HydrophobicContact CG-CE2 4.43Å; M59-F107 HydrophobicContact SD-CE2 4.27Å; M59-K156 VanDerWaalsContact CE-O 3.31Å; M59-K156 WeakPolarHBondContact CE-O 3.37Å; M59-D157 WeakPolarHBondContact CB-O 3.34Å; M59-D157 WeakPolarHBondContact CE-O 3.47Å; M59-D157 PolarHBondContact N-O 2.77Å; M59-N159 HydrophobicContact CE-CB 4.23Å; M59-N159 HydrophobicContact CG-CB 3.64Å; M59-N159 HydrophobicContact SD-CB 3.74Å
60G96.4Very high89.2Confident9 Ų925 Ų259%0.09314%0.138CC..SBendtrans146.9177.7178.300000111.4R65 M66 N67G60-R65 WeakPolarHBondContact O-CB 3.3Å; G60-M66 PolarHBondContact N-O 3.03Å; G60-M66 VanDerWaalsContact N-O 3.16Å; G60-N67 PolarHBondContact O-ND2 3.22Å
61A96.7Very high90.5Very high0 Ų023.2 Ų23.20%013%0.131CC..SBendtrans-70148.8179.700000113.6W15 T24 E27 V28 R43 R65W15-A61 HydrophobicContact CZ2-CB 3.84Å; T24-A61 HydrophobicContact CG2-CB 4.26Å; T24-A61 VanDerWaalsContact O-CB 3.24Å; T24-A61 WeakPolarHBondContact O-CB 3.33Å; E27-A61 HydrophobicContact CB-CB 3.98Å; E27-A61 PolarHBondContact OE2-N 2.9Å; V28-A61 HydrophobicContact CG2-CB 3.4Å; R43-A61 WeakPolarHBondContact CB-O 3.18Å; R43-A61 VanDerWaalsContact CD-O 3.25Å; R43-A61 WeakPolarHBondContact CD-O 3.33Å; R43-A61 WeakPolarHBondContact CG-O 3.49Å; A61-R65 WeakPolarHBondContact O-CG 3.34Å
62G96.6Very high92Very high0 Ų021.4 Ų21.40%011%0.112CC..SBendtrans109.6156.6176.900000115.1R43 K64 R65 N67R43-G62 CarbonylContact O-C 3.59Å; R43-G62 WeakPolarHBondContact O-CA 3.31Å; G62-K64 VanDerWaalsContact C-N 3.26Å; G62-K64 PolarHBondContact O-N 3.24Å; G62-R65 PolarHBondContact O-N 2.83Å; G62-R65 VanDerWaalsContact O-N 3.15Å; G62-N67 PolarHBondContact O-ND2 3.29Å
63F95.3Very high93.5Very high2 Ų217.7 Ų17.71%0.0099%0.089CC..THydrogen-bonded Turntrans-68.5-18.3-175.4-59.5-62.7000115.2Q11 L14 W15 W18 R43 M44 G46 R47 I48 L69Q11-F63 HydrophobicContact CB-CD2 4.43Å; Q11-F63 HydrophobicContact CB-CE2 4.17Å; Q11-F63 WeakPolarHBondContact O-CE2 3.49Å; Q11-F63 VanDerWaalsContact OE1-CD2 3.26Å; Q11-F63 VanDerWaalsContact OE1-CE2 3.26Å; L14-F63 HydrophobicContact CB-CZ 4.27Å; W15-F63 HydrophobicContact CB-CE2 4.17Å; W15-F63 HydrophobicContact CB-CZ 4.03Å; W15-F63 AromaticContact CE3-CD1 3.96Å; W15-F63 HydrophobicContact CE3-CD1 3.96Å; W15-F63 HydrophobicContact CE3-CD2 4.45Å; W15-F63 AromaticContact CE3-CE1 3.82Å; W15-F63 HydrophobicContact CE3-CE1 3.82Å; W15-F63 HydrophobicContact CE3-CE2 4.32Å; W15-F63 HydrophobicContact CE3-CG 4.28Å; W15-F63 HydrophobicContact CE3-CZ 4.01Å; W15-F63 HydrophobicContact CZ3-CD1 4.18Å; W15-F63 HydrophobicContact CZ3-CE1 4.34Å; W18-F63 AromaticContact CE3-CE1 3.86Å; W18-F63 HydrophobicContact CE3-CE1 3.86Å; W18-F63 AromaticContact CE3-CZ 3.82Å; W18-F63 HydrophobicContact CE3-CZ 3.82Å; W18-F63 HydrophobicContact CZ3-CE1 4.03Å; W18-F63 AromaticContact CZ3-CZ 3.9Å; W18-F63 HydrophobicContact CZ3-CZ 3.9Å; R43-F63 PolarHBondContact O-N 3.41Å; M44-F63 HydrophobicContact SD-CD2 4.4Å; G46-F63 WeakPolarHBondContact O-CB 3.33Å; R47-F63 WeakPolarHBondContact CA-O 3.42Å; R47-F63 HydrophobicContact CG-CB 4.31Å; I48-F63 PolarHBondContact N-O 3.3Å; F63-L69 HydrophobicContact CD1-CD2 4.47Å; F63-L69 HydrophobicContact CE1-CD2 3.72Å; F63-L69 HydrophobicContact CE1-CG 4.49Å; F63-L69 HydrophobicContact CZ-CD2 4.48Å
64K93.2Very high94.8Very high105 Ų10517.2 Ų17.246%0.4579%0.086SC..THydrogen-bonded Turntrans-97.411.2175.6-153.8177.1-179.4178.90113A42 R43 G62A42-K64 WeakPolarHBondContact O-CD 3.48Å; R43-K64 WeakPolarHBondContact O-CB 3.25Å; R43-K64 PolarHBondContact O-N 3.02Å; G62-K64 VanDerWaalsContact C-N 3.26Å; G62-K64 PolarHBondContact O-N 3.24Å
65R95.6Very high95.5Very high52 Ų5217 Ų1720%0.1968%0.084CC..SBendtrans-120156.2176.6-61.9-60.5-174.1-159.52.1110.1E39 R43 T58 G60 A61 G62 N67 V70E39-R65 IonicContact OE1-NH2 3.29Å; E39-R65 PolarHBondContact OE1-NH2 3.25Å; R43-R65 HydrophobicContact CB-CG 4.38Å; R43-R65 HydrophobicContact CG-CG 3.92Å; T58-R65 CarbonylContact O-C 3.57Å; T58-R65 VanDerWaalsContact O-CA 3.28Å; T58-R65 WeakPolarHBondContact O-CA 3.33Å; T58-R65 WeakPolarHBondContact O-CB 3.42Å; T58-R65 WeakPolarHBondContact O-CD 3.2Å; G60-R65 WeakPolarHBondContact O-CB 3.3Å; A61-R65 WeakPolarHBondContact O-CG 3.34Å; G62-R65 PolarHBondContact O-N 2.83Å; G62-R65 VanDerWaalsContact O-N 3.15Å; R65-N67 PolarHBondContact O-ND2 2.64Å; R65-N67 VanDerWaalsContact O-ND2 3.08Å; R65-V70 WeakPolarHBondContact O-CG2 3.4Å
66M96.8Very high95.9Very high1 Ų116.8 Ų16.81%0.0058%0.082CC..BIsolated β-bridgetrans-79.1126.7172-74.8-61.1-61.200109.9I48 L55 G57 T58 M59 G60 V71 F107 N159I48-M66 HydrophobicContact CD1-CG 3.84Å; I48-M66 HydrophobicContact CD1-SD 3.61Å; L55-M66 HydrophobicContact CB-SD 4.31Å; G57-M66 VanDerWaalsContact O-CG 3.27Å; G57-M66 WeakPolarHBondContact O-CG 3.46Å; T58-M66 PolarHBondContact O-N 3.38Å; M59-M66 VanDerWaalsContact CA-O 3.25Å; M59-M66 WeakPolarHBondContact CA-O 3.37Å; M59-M66 HydrophobicContact CG-CB 4.1Å; G60-M66 PolarHBondContact N-O 3.03Å; G60-M66 VanDerWaalsContact N-O 3.16Å; M66-V71 HydrophobicContact CE-CG2 3.81Å; M66-F107 HydrophobicContact CB-CE2 4.43Å; M66-N159 HydrophobicContact CB-CB 4.24Å; M66-N159 HydrophobicContact CG-CB 4.48Å; M66-N159 WeakPolarHBondContact CG-O 3.47Å
67N97.9Very high96.3Very high4 Ų413.3 Ų13.32%0.0217%0.069CC..SBendtrans-165.7173.9-178.950.766.8000110.4W15 T24 G60 G62 R65 L69 V70 V71W15-N67 HydrophobicContact CH2-CB 4.37Å; W15-N67 VanDerWaalsContact CH2-CG 3.48Å; W15-N67 WeakPolarHBondContact CH2-ND2 3.33Å; W15-N67 WeakPolarHBondContact CH2-OD1 3.19Å; T24-N67 HydrophobicContact CG2-CB 4.45Å; G60-N67 PolarHBondContact O-ND2 3.22Å; G62-N67 PolarHBondContact O-ND2 3.29Å; R65-N67 PolarHBondContact O-ND2 2.64Å; R65-N67 VanDerWaalsContact O-ND2 3.08Å; N67-L69 VanDerWaalsContact C-N 3.32Å; N67-L69 PolarHBondContact O-N 2.92Å; N67-L69 PolarHBondContact OD1-N 3Å; N67-V70 PolarHBondContact O-N 3.11Å; N67-V70 WeakPolarHBondContact OD1-CG2 3.34Å; N67-V70 PolarHBondContact OD1-N 3.36Å; N67-V71 WeakPolarHBondContact O-CG2 3.49Å; N67-V71 PolarHBondContact O-N 3.29Å
68D98Very high96.6Very high3 Ų312.6 Ų12.62%0.0166%0.062CC..Hα-helixtrans-51.3-48.6179.7-65.80.1000113N21 V71 L72 R106 F107 L110 W194N21-D68 WeakPolarHBondContact CB-OD2 3.43Å; N21-D68 PolarHBondContact ND2-OD2 3.22Å; D68-V71 PolarHBondContact O-N 3.38Å; D68-L72 WeakPolarHBondContact O-CB 3.45Å; D68-L72 WeakPolarHBondContact O-CG 3.42Å; D68-L72 PolarHBondContact O-N 2.89Å; D68-R106 WeakPolarHBondContact OD1-CD 3.38Å; D68-R106 IonicContact OD1-NE 3.98Å; D68-R106 PolarHBondContact OD1-NE 2.98Å; D68-R106 IonicContact OD2-CZ 2.75Å; D68-R106 IonicContact OD2-NE 2.69Å; D68-R106 PolarHBondContact OD2-NE 2.88Å; D68-R106 IonicContact OD2-NH2 3.04Å; D68-R106 PolarHBondContact OD2-NH2 2.87Å; D68-F107 VanDerWaalsContact OD1-CE1 3.31Å; D68-F107 WeakPolarHBondContact OD1-CE1 3.31Å; D68-L110 HydrophobicContact CB-CD1 3.52Å; D68-L110 VanDerWaalsContact CG-CD1 3.5Å; D68-W194 HydrophobicContact CB-CH2 4.27Å; D68-W194 HydrophobicContact CB-CZ3 3.78Å
69L97.7Very high96.9Very high0 Ų010.2 Ų10.20%05%0.047CC..Hα-helixtrans-63.7-46.2-175.7177.657.4000111.5W15 W18 D19 F63 N67 V71 L72 Q73 P189 W194W15-L69 HydrophobicContact CD2-CD2 4.37Å; W15-L69 HydrophobicContact CE3-CD2 3.83Å; W15-L69 HydrophobicContact CH2-CB 4.31Å; W15-L69 HydrophobicContact CH2-CD2 4.39Å; W15-L69 HydrophobicContact CZ3-CB 4.33Å; W15-L69 HydrophobicContact CZ3-CD2 3.83Å; W15-L69 HydrophobicContact CZ3-CG 4.5Å; W18-L69 HydrophobicContact CB-CD1 3.88Å; W18-L69 HydrophobicContact CB-CD2 3.87Å; D19-L69 HydrophobicContact CB-CD2 4.04Å; F63-L69 HydrophobicContact CD1-CD2 4.47Å; F63-L69 HydrophobicContact CE1-CD2 3.72Å; F63-L69 HydrophobicContact CE1-CG 4.49Å; F63-L69 HydrophobicContact CZ-CD2 4.48Å; N67-L69 VanDerWaalsContact C-N 3.32Å; N67-L69 PolarHBondContact O-N 2.92Å; N67-L69 PolarHBondContact OD1-N 3Å; L69-V71 VanDerWaalsContact C-N 3.32Å; L69-V71 PolarHBondContact O-N 3.5Å; L69-L72 PolarHBondContact O-N 3.09Å; L69-Q73 HydrophobicContact CD1-CG 4.05Å; L69-Q73 WeakPolarHBondContact O-CB 3.45Å; L69-Q73 VanDerWaalsContact O-CG 3.22Å; L69-Q73 WeakPolarHBondContact O-CG 3.36Å; L69-Q73 PolarHBondContact O-N 2.82Å; L69-P189 HydrophobicContact CD1-CB 4.49Å; L69-P189 HydrophobicContact CD1-CG 3.24Å; L69-W194 HydrophobicContact CB-CH2 4.24Å; L69-W194 HydrophobicContact CD1-CZ2 4.18Å
70V96.8Very high96.9Very high3 Ų39.4 Ų9.42%0.0185%0.046CC..Hα-helixtrans-63.5-39.5177.7170.40000110.9L55 R65 N67 S74L55-V70 HydrophobicContact CD1-CG1 4.41Å; R65-V70 WeakPolarHBondContact O-CG2 3.4Å; N67-V70 PolarHBondContact O-N 3.11Å; N67-V70 WeakPolarHBondContact OD1-CG2 3.34Å; N67-V70 PolarHBondContact OD1-N 3.36Å; V70-S74 VanDerWaalsContact O-CB 3.26Å; V70-S74 WeakPolarHBondContact O-CB 3.49Å; V70-S74 PolarHBondContact O-N 3.42Å; V70-S74 PolarHBondContact O-OG 3.5Å
71V97.7Very high97Very high1 Ų19.6 Ų9.61%0.0064%0.044CC..Hα-helixtrans-66.7-43.1176.7171.60000111.7M66 N67 D68 L69 S74 T75 F107 L110 Y161M66-V71 HydrophobicContact CE-CG2 3.81Å; N67-V71 WeakPolarHBondContact O-CG2 3.49Å; N67-V71 PolarHBondContact O-N 3.29Å; D68-V71 PolarHBondContact O-N 3.38Å; L69-V71 VanDerWaalsContact C-N 3.32Å; L69-V71 PolarHBondContact O-N 3.5Å; V71-S74 PolarHBondContact O-N 3.09Å; V71-T75 WeakPolarHBondContact O-CB 3.39Å; V71-T75 PolarHBondContact O-N 3.22Å; V71-T75 PolarHBondContact O-OG1 3.31Å; V71-F107 HydrophobicContact CB-CB 4.47Å; V71-F107 HydrophobicContact CG1-CB 4.07Å; V71-F107 WeakPolarHBondContact CG1-O 3.41Å; V71-F107 HydrophobicContact CG2-CB 3.91Å; V71-F107 HydrophobicContact CG2-CD1 4.05Å; V71-F107 HydrophobicContact CG2-CD2 4.09Å; V71-F107 HydrophobicContact CG2-CG 3.75Å; V71-L110 HydrophobicContact CG1-CB 4.46Å; V71-Y161 HydrophobicContact CG1-CD2 4.26Å; V71-Y161 HydrophobicContact CG1-CE2 4.21Å
72L97.7Very high97Very high0 Ų09.8 Ų9.80%05%0.045CC..Hα-helixtrans-59.3-52.3174.8-79.4172.7000111.2D68 L69 S74 T75 Q76 L110 V114 C193 W194D68-L72 WeakPolarHBondContact O-CB 3.45Å; D68-L72 WeakPolarHBondContact O-CG 3.42Å; D68-L72 PolarHBondContact O-N 2.89Å; L69-L72 PolarHBondContact O-N 3.09Å; L72-S74 VanDerWaalsContact C-N 3.3Å; L72-S74 PolarHBondContact O-N 3.45Å; L72-T75 PolarHBondContact O-N 3.36Å; L72-Q76 WeakPolarHBondContact O-CB 3.25Å; L72-Q76 WeakPolarHBondContact O-CG 3.22Å; L72-Q76 PolarHBondContact O-N 3.32Å; L72-L110 HydrophobicContact CD1-CD2 4.3Å; L72-L110 HydrophobicContact CD2-CB 4.1Å; L72-L110 HydrophobicContact CD2-CD2 4.07Å; L72-L110 HydrophobicContact CG-CB 4.38Å; L72-L110 HydrophobicContact CG-CD2 4.25Å; L72-V114 HydrophobicContact CD2-CG2 3.65Å; L72-C193 HydrophobicContact CD2-CB 3.77Å; L72-C193 WeakPolarHBondContact CD2-O 3.46Å; L72-W194 HydrophobicContact CD1-CD2 3.67Å; L72-W194 HydrophobicContact CD1-CE3 3.88Å; L72-W194 HydrophobicContact CD1-CG 4.29Å; L72-W194 HydrophobicContact CD1-CH2 3.87Å; L72-W194 HydrophobicContact CD1-CZ2 3.64Å; L72-W194 HydrophobicContact CD1-CZ3 3.99Å
73Q96.9Very high97.1Very high0 Ų011.6 Ų11.60%06%0.055CC..Hα-helixtrans-59.8-42.2179.3-71171.8-25.600111.8L69 Q76 G77 L187L69-Q73 HydrophobicContact CD1-CG 4.05Å; L69-Q73 WeakPolarHBondContact O-CB 3.45Å; L69-Q73 VanDerWaalsContact O-CG 3.22Å; L69-Q73 WeakPolarHBondContact O-CG 3.36Å; L69-Q73 PolarHBondContact O-N 2.82Å; Q73-Q76 PolarHBondContact O-N 2.9Å; Q73-G77 PolarHBondContact O-N 3.21Å; Q73-L187 VanDerWaalsContact CG-O 3.3Å; Q73-L187 WeakPolarHBondContact CG-O 3.39Å; Q73-L187 PolarHBondContact NE2-O 2.87Å
74S96Very high97.1Very high2 Ų215.3 Ų15.31%0.0148%0.077CC..Hα-helixtrans-65.3-42179-56.10000111.7L55 V70 V71 L72 G77 L78L55-S74 WeakPolarHBondContact CD1-OG 3.33Å; V70-S74 VanDerWaalsContact O-CB 3.26Å; V70-S74 WeakPolarHBondContact O-CB 3.49Å; V70-S74 PolarHBondContact O-N 3.42Å; V70-S74 PolarHBondContact O-OG 3.5Å; V71-S74 PolarHBondContact O-N 3.09Å; L72-S74 VanDerWaalsContact C-N 3.3Å; L72-S74 PolarHBondContact O-N 3.45Å; S74-G77 PolarHBondContact O-N 2.97Å; S74-L78 PolarHBondContact O-N 3.29Å; S74-L78 VanDerWaalsContact O-N 3.09Å
75T98.2Very high97.2Very high0 Ų014.3 Ų14.30%08%0.077CC..Hα-helixtrans-71.2-38.1178.8-50.60000112.2V71 L72 G77 L78 C79 A111 V114 F115 I147 Y161V71-T75 WeakPolarHBondContact O-CB 3.39Å; V71-T75 PolarHBondContact O-N 3.22Å; V71-T75 PolarHBondContact O-OG1 3.31Å; L72-T75 PolarHBondContact O-N 3.36Å; T75-G77 VanDerWaalsContact C-N 3.32Å; T75-G77 PolarHBondContact O-N 3.35Å; T75-L78 PolarHBondContact O-N 3.42Å; T75-C79 VanDerWaalsContact O-CB 3.3Å; T75-C79 WeakPolarHBondContact O-CB 3.42Å; T75-C79 PolarHBondContact O-N 3.27Å; T75-A111 HydrophobicContact CG2-CB 4Å; T75-A111 WeakPolarHBondContact CG2-O 3.46Å; T75-V114 HydrophobicContact CG2-CB 3.76Å; T75-V114 HydrophobicContact CG2-CG1 3.86Å; T75-V114 HydrophobicContact CG2-CG2 4.26Å; T75-F115 HydrophobicContact CG2-CD2 3.81Å; T75-F115 HydrophobicContact CG2-CE2 3.3Å; T75-F115 HydrophobicContact CG2-CZ 4.08Å; T75-I147 HydrophobicContact CG2-CD1 4.28Å; T75-Y161 WeakPolarHBondContact CA-OH 3.48Å; T75-Y161 WeakPolarHBondContact CB-OH 3.41Å; T75-Y161 WeakPolarHBondContact OG1-CE2 3.43Å; T75-Y161 PolarHBondContact OG1-OH 3.11Å
76Q98.3Very high97.2Very high0 Ų016.1 Ų16.10%09%0.086CC..Hα-helixtrans-60.5-42.9174.1-75.3172.6-172.900111.4L72 Q73 C79 A80 V114 N186 T188 P189 W190L72-Q76 WeakPolarHBondContact O-CB 3.25Å; L72-Q76 WeakPolarHBondContact O-CG 3.22Å; L72-Q76 PolarHBondContact O-N 3.32Å; Q73-Q76 PolarHBondContact O-N 2.9Å; Q76-C79 PolarHBondContact O-N 3.46Å; Q76-A80 WeakPolarHBondContact O-CB 3.17Å; Q76-A80 PolarHBondContact O-N 2.57Å; Q76-V114 HydrophobicContact CG-CG1 3.95Å; Q76-V114 HydrophobicContact CG-CG2 4.27Å; Q76-N186 HydrophobicContact CB-CB 4.03Å; Q76-N186 PolarHBondContact NE2-O 3.44Å; Q76-T188 PolarHBondContact NE2-O 3.07Å; Q76-P189 VanDerWaalsContact OE1-CA 3.31Å; Q76-W190 HydrophobicContact CB-CH2 4.32Å; Q76-W190 HydrophobicContact CB-CZ2 4.08Å; Q76-W190 HydrophobicContact CG-CD2 3.78Å; Q76-W190 HydrophobicContact CG-CE3 3.95Å; Q76-W190 HydrophobicContact CG-CG 4.23Å; Q76-W190 HydrophobicContact CG-CH2 4.27Å; Q76-W190 HydrophobicContact CG-CZ2 4.13Å; Q76-W190 HydrophobicContact CG-CZ3 4.17Å
77G96.6Very high97.1Very high0 Ų021.1 Ų21.10%012%0.119CC..Hα-helixtrans-62.7-44.717500000112.9Q73 S74 T75 A80 Y81 Q182Q73-G77 PolarHBondContact O-N 3.21Å; S74-G77 PolarHBondContact O-N 2.97Å; T75-G77 VanDerWaalsContact C-N 3.32Å; T75-G77 PolarHBondContact O-N 3.35Å; G77-A80 PolarHBondContact O-N 3.09Å; G77-Y81 WeakPolarHBondContact O-CB 3.08Å; G77-Y81 PolarHBondContact O-N 2.92Å; G77-Q182 WeakPolarHBondContact O-CB 3.34Å
78L97.2Very high97Very high0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-62-46.1175.2178.960.1000111.9S74 T75 Y81 L82 I94 F115 I147 V163 V179S74-L78 PolarHBondContact O-N 3.29Å; S74-L78 VanDerWaalsContact O-N 3.09Å; T75-L78 PolarHBondContact O-N 3.42Å; L78-Y81 PolarHBondContact O-N 2.94Å; L78-L82 HydrophobicContact CD1-CG 4.45Å; L78-L82 HydrophobicContact CG-CD1 4.45Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 2.9Å; L78-I94 HydrophobicContact CD2-CD1 4.34Å; L78-F115 HydrophobicContact CD2-CZ 4.15Å; L78-F115 HydrophobicContact CG-CZ 4.13Å; L78-I147 HydrophobicContact CD2-CD1 4.04Å; L78-I147 HydrophobicContact CD2-CG1 4.05Å; L78-V163 HydrophobicContact CD1-CG1 4.18Å; L78-V163 HydrophobicContact CD2-CG1 3.79Å; L78-V163 HydrophobicContact CD2-CG2 4.43Å; L78-V179 HydrophobicContact CB-CG1 4.37Å; L78-V179 HydrophobicContact CD1-CG1 4.39Å; L78-V179 HydrophobicContact CD1-CG2 3.67Å
79C98.2Very high96.8Very high0 Ų025.7 Ų25.70%015%0.145CC..Hα-helixtrans-62.3-46.3178-175.80000111.8T75 Q76 Y81 L82 L83 V114 F115 W190T75-C79 VanDerWaalsContact O-CB 3.3Å; T75-C79 WeakPolarHBondContact O-CB 3.42Å; T75-C79 PolarHBondContact O-N 3.27Å; Q76-C79 PolarHBondContact O-N 3.46Å; C79-Y81 VanDerWaalsContact C-N 3.3Å; C79-Y81 PolarHBondContact O-N 3.36Å; C79-L82 PolarHBondContact O-N 3.37Å; C79-L83 WeakPolarHBondContact O-CG 3.43Å; C79-L83 PolarHBondContact O-N 3.09Å; C79-V114 HydrophobicContact CB-CG1 4.11Å; C79-F115 HydrophobicContact CB-CD1 3.98Å; C79-F115 HydrophobicContact CB-CE1 3.51Å; C79-F115 HydrophobicContact CB-CZ 3.93Å; C79-W190 HydrophobicContact CB-CH2 4.27Å
80A97.7Very high96.6Very high16 Ų1632.9 Ų32.913%0.13218%0.178CC..Hα-helixtrans-58.5-42.9175.400000111.2Q76 G77 L83 T84 Q182Q76-A80 WeakPolarHBondContact O-CB 3.17Å; Q76-A80 PolarHBondContact O-N 2.57Å; G77-A80 PolarHBondContact O-N 3.09Å; A80-L83 PolarHBondContact O-N 2.97Å; A80-T84 VanDerWaalsContact O-CG2 3.31Å; A80-T84 WeakPolarHBondContact O-CG2 3.5Å; A80-T84 PolarHBondContact O-N 2.95Å; A80-T84 VanDerWaalsContact O-N 3.12Å; A80-Q182 HydrophobicContact CB-CB 4.44Å
81Y97.5Very high96.5Very high12 Ų1237.9 Ų37.95%0.04721%0.205CC..Hα-helixtrans-62.9-47.6176.3-177.1-130.9000112.6G77 L78 C79 L83 T84 L85 W165 H175 N178 V179 Q182G77-Y81 WeakPolarHBondContact O-CB 3.08Å; G77-Y81 PolarHBondContact O-N 2.92Å; L78-Y81 PolarHBondContact O-N 2.94Å; C79-Y81 VanDerWaalsContact C-N 3.3Å; C79-Y81 PolarHBondContact O-N 3.36Å; Y81-L83 VanDerWaalsContact C-N 3.25Å; Y81-L83 PolarHBondContact O-N 3.05Å; Y81-T84 WeakPolarHBondContact CD2-OG1 3.45Å; Y81-T84 WeakPolarHBondContact O-CB 3.34Å; Y81-T84 PolarHBondContact O-N 2.91Å; Y81-T84 PolarHBondContact O-OG1 3.33Å; Y81-L85 HydrophobicContact CE1-CD1 4.11Å; Y81-L85 HydrophobicContact CE2-CD1 4.32Å; Y81-L85 HydrophobicContact CE2-CD2 4.29Å; Y81-L85 HydrophobicContact CE2-CG 4.25Å; Y81-L85 PolarHBondContact O-N 3.15Å; Y81-W165 HydrophobicContact CD1-CH2 4.05Å; Y81-W165 HydrophobicContact CD1-CZ3 4.21Å; Y81-W165 AromaticContact CE1-CH2 3.67Å; Y81-W165 HydrophobicContact CE1-CH2 3.67Å; Y81-W165 HydrophobicContact CE1-CZ3 4.07Å; Y81-H175 HydrophobicContact CE1-CB 4.08Å; Y81-H175 AromaticContact CE1-ND1 3.58Å; Y81-H175 AromaticContact CZ-ND1 3.69Å; Y81-H175 PolarHBondContact OH-ND1 2.85Å; Y81-N178 HydrophobicContact CD1-CB 4.38Å; Y81-N178 HydrophobicContact CD2-CB 3.72Å; Y81-N178 HydrophobicContact CE1-CB 3.96Å; Y81-N178 HydrophobicContact CE2-CB 3.28Å; Y81-N178 HydrophobicContact CG-CB 4.26Å; Y81-N178 PolarHBondContact OH-ND2 3.14Å; Y81-N178 VanDerWaalsContact OH-ND2 3.15Å; Y81-V179 HydrophobicContact CD1-CG2 3.45Å; Y81-V179 VanDerWaalsContact CD1-CG2 3.45Å; Y81-V179 HydrophobicContact CE1-CG2 4.13Å; Y81-V179 HydrophobicContact CG-CG2 4.18Å; Y81-Q182 HydrophobicContact CD2-CG 4.44Å
82L97.8Very high96.6Very high4 Ų438 Ų382%0.02121%0.205CC..Hα-helixtrans-58.1-39.7177.1-72.6176.1000111.8L78 C79 T84 L85 K86 L92 F115 D144 A145 W165L78-L82 HydrophobicContact CD1-CG 4.45Å; L78-L82 HydrophobicContact CG-CD1 4.45Å; L78-L82 WeakPolarHBondContact O-CG 3.25Å; L78-L82 PolarHBondContact O-N 2.9Å; C79-L82 PolarHBondContact O-N 3.37Å; L82-T84 VanDerWaalsContact C-N 3.27Å; L82-T84 PolarHBondContact O-N 3.43Å; L82-L85 PolarHBondContact O-N 3.39Å; L82-L85 VanDerWaalsContact O-N 3.07Å; L82-K86 PolarHBondContact O-N 3.43Å; L82-L92 HydrophobicContact CB-CD1 4Å; L82-L92 HydrophobicContact CB-CD2 4.05Å; L82-F115 HydrophobicContact CD1-CE1 3.96Å; L82-F115 HydrophobicContact CD1-CZ 4.39Å; L82-D144 HydrophobicContact CD2-CB 4.12Å; L82-A145 HydrophobicContact CD1-CB 4.02Å; L82-W165 HydrophobicContact CD2-CH2 3.5Å; L82-W165 VanDerWaalsContact CD2-CH2 3.5Å; L82-W165 HydrophobicContact CD2-CZ2 4.41Å; L82-W165 HydrophobicContact CD2-CZ3 3.62Å
83L97.5Very high96.6Very high39 Ų3938.9 Ų38.920%0.20421%0.211CC..Hα-helixtrans-67-24.5175.8-70.7167.5000113.3C79 A80 Y81 L85 K86 P87 P89 L92 K118C79-L83 WeakPolarHBondContact O-CG 3.43Å; C79-L83 PolarHBondContact O-N 3.09Å; A80-L83 PolarHBondContact O-N 2.97Å; Y81-L83 VanDerWaalsContact C-N 3.25Å; Y81-L83 PolarHBondContact O-N 3.05Å; L83-L85 VanDerWaalsContact C-N 3.31Å; L83-K86 CarbonylContact O-C 3.55Å; L83-P87 VanDerWaalsContact O-CA 3.24Å; L83-P87 WeakPolarHBondContact O-CA 3.35Å; L83-P89 HydrophobicContact CD2-CB 4.02Å; L83-L92 HydrophobicContact CD2-CD1 3.73Å; L83-L92 HydrophobicContact CG-CD1 4.15Å; L83-K118 HydrophobicContact CD1-CB 4.44Å; L83-K118 HydrophobicContact CD1-CD 4.42Å; L83-K118 HydrophobicContact CD1-CG 4.34Å
84T96.5Very high96.7Very high79 Ų7938.9 Ų38.949%0.48521%0.211SC..Hα-helixtrans-69.6-29.8170.6710000112.8A80 Y81 L82A80-T84 VanDerWaalsContact O-CG2 3.31Å; A80-T84 WeakPolarHBondContact O-CG2 3.5Å; A80-T84 PolarHBondContact O-N 2.95Å; A80-T84 VanDerWaalsContact O-N 3.12Å; Y81-T84 WeakPolarHBondContact CD2-OG1 3.45Å; Y81-T84 WeakPolarHBondContact O-CB 3.34Å; Y81-T84 PolarHBondContact O-N 2.91Å; Y81-T84 PolarHBondContact O-OG1 3.33Å; L82-T84 VanDerWaalsContact C-N 3.27Å; L82-T84 PolarHBondContact O-N 3.43Å
85L95.2Very high96.8Very high85 Ų8538.8 Ų38.845%0.44521%0.211SC..Hα-helixtrans-88.2-38.6-179.9-59179.7000111.9Y81 L82 L83 W165Y81-L85 HydrophobicContact CE1-CD1 4.11Å; Y81-L85 HydrophobicContact CE2-CD1 4.32Å; Y81-L85 HydrophobicContact CE2-CD2 4.29Å; Y81-L85 HydrophobicContact CE2-CG 4.25Å; Y81-L85 PolarHBondContact O-N 3.15Å; L82-L85 PolarHBondContact O-N 3.39Å; L82-L85 VanDerWaalsContact O-N 3.07Å; L83-L85 VanDerWaalsContact C-N 3.31Å; L85-W165 HydrophobicContact CD1-CH2 3.6Å; L85-W165 HydrophobicContact CD1-CZ2 3.6Å
86K95.1Very high96.8Very high90 Ų9038.8 Ų38.839%0.39121%0.211SC..  trans-129.690.7176.9-67.5-177.5175.4-175.90109.1L82 L83 N88 L92 D144L82-K86 PolarHBondContact O-N 3.43Å; L83-K86 CarbonylContact O-C 3.55Å; K86-N88 PolarHBondContact O-N 2.91Å; K86-L92 HydrophobicContact CB-CD1 4.41Å; K86-L92 HydrophobicContact CB-CD2 3.83Å; K86-L92 HydrophobicContact CB-CG 3.98Å; K86-L92 HydrophobicContact CD-CD2 3.72Å; K86-L92 HydrophobicContact CD-CG 4.41Å; K86-L92 HydrophobicContact CG-CD2 4.28Å; K86-D144 WeakPolarHBondContact CD-OD1 3.37Å; K86-D144 VanDerWaalsContact CE-OD1 3.26Å; K86-D144 WeakPolarHBondContact CE-OD1 3.49Å; K86-D144 IonicContact NZ-OD1 2.93Å; K86-D144 PolarHBondContact NZ-OD1 3.31Å; K86-D144 IonicContact NZ-OD2 3.8Å
87P94Very high96.9Very high106 Ų10638.8 Ų38.869%0.68821%0.211SC*.SBendtrans-62.1-24-175.4-27.436.3000115.4L83 P89L83-P87 VanDerWaalsContact O-CA 3.24Å; L83-P87 WeakPolarHBondContact O-CA 3.35Å; P87-P89 VanDerWaalsContact O-CD 3.3Å; P87-P89 WeakPolarHBondContact O-CD 3.37Å
88N95.9Very high97Very high69 Ų6939.3 Ų39.337%0.36921%0.213SC..  trans-86.8110.6173.6-174.5-0.7000110.6K86 E90 N91K86-N88 PolarHBondContact O-N 2.91Å; N88-E90 PolarHBondContact O-N 3.37Å; N88-E90 PolarHBondContact OD1-N 3.47Å; N88-E90 VanDerWaalsContact OD1-N 3.11Å; N88-N91 PolarHBondContact O-N 3.25Å
89P94.5Very high97Very high33 Ų3339.4 Ų39.421%0.21421%0.213CC..G310 helixtrans-63.1-25.1-179.924.9-34.3000114.5L83 P87 N91 L92 K118 V120L83-P89 HydrophobicContact CD2-CB 4.02Å; P87-P89 VanDerWaalsContact O-CD 3.3Å; P87-P89 WeakPolarHBondContact O-CD 3.37Å; P89-N91 PolarHBondContact O-N 3.29Å; P89-L92 WeakPolarHBondContact O-CB 3.19Å; P89-L92 PolarHBondContact O-N 3.46Å; P89-K118 WeakPolarHBondContact CB-O 3.45Å; P89-K118 WeakPolarHBondContact CG-O 3.37Å; P89-V120 HydrophobicContact CB-CG2 3.85Å
90E93.9Very high96.9Very high151 Ų15140.2 Ų40.271%0.70622%0.218SC*.G310 helixtrans-65.4-22.4178.2-62.6178.8173.100112.4N88 L92N88-E90 PolarHBondContact O-N 3.37Å; N88-E90 PolarHBondContact OD1-N 3.47Å; N88-E90 VanDerWaalsContact OD1-N 3.11Å; E90-L92 VanDerWaalsContact C-N 3.33Å
91N95.1Very high96.9Very high109 Ų10939.7 Ų39.758%0.58321%0.213SC*.G310 helixtrans-89.91.2176.1-67.5-20.4000113.1N88 P89N88-N91 PolarHBondContact O-N 3.25Å; P89-N91 PolarHBondContact O-N 3.29Å
92L98.2Very high96.9Very high3 Ų342.8 Ų42.82%0.01623%0.228CC..  trans-101.4140.7176.8-74.1171.1000110.5L82 L83 K86 P89 E90 V120 K121 D144L82-L92 HydrophobicContact CB-CD1 4Å; L82-L92 HydrophobicContact CB-CD2 4.05Å; L83-L92 HydrophobicContact CD2-CD1 3.73Å; L83-L92 HydrophobicContact CG-CD1 4.15Å; K86-L92 HydrophobicContact CB-CD1 4.41Å; K86-L92 HydrophobicContact CB-CD2 3.83Å; K86-L92 HydrophobicContact CB-CG 3.98Å; K86-L92 HydrophobicContact CD-CD2 3.72Å; K86-L92 HydrophobicContact CD-CG 4.41Å; K86-L92 HydrophobicContact CG-CD2 4.28Å; P89-L92 WeakPolarHBondContact O-CB 3.19Å; P89-L92 PolarHBondContact O-N 3.46Å; E90-L92 VanDerWaalsContact C-N 3.33Å; L92-V120 HydrophobicContact CB-CB 4.34Å; L92-V120 HydrophobicContact CB-CG1 3.71Å; L92-V120 HydrophobicContact CB-CG2 3.91Å; L92-V120 HydrophobicContact CD1-CG2 4.11Å; L92-K121 PolarHBondContact O-N 2.79Å; L92-K121 VanDerWaalsContact O-N 3.13Å; L92-D144 VanDerWaalsContact CA-OD2 3.27Å; L92-D144 WeakPolarHBondContact CA-OD2 3.41Å; L92-D144 HydrophobicContact CD2-CB 3.82Å; L92-D144 VanDerWaalsContact CD2-CG 3.46Å
93S98.5Very high96.9Very high18 Ų1845.8 Ų45.813%0.12624%0.244CC..EExtended strand (participates in β ladder)trans-140.6147.4169.456.50000112.1K121 C143 D144S93-K121 CarbonylContact C-O 3.49Å; S93-K121 VanDerWaalsContact CA-O 3.26Å; S93-K121 WeakPolarHBondContact CA-O 3.42Å; S93-C143 WeakPolarHBondContact O-CB 3.43Å; S93-C143 WeakPolarHBondContact OG-CA 3.45Å; S93-D144 PolarHBondContact N-OD2 3Å; S93-D144 PolarHBondContact O-N 3.14Å
94I98.7Very high97Very high0 Ų043.9 Ų43.90%023%0.234CC..EExtended strand (participates in β ladder)trans-137.7146.8-179.6-167.1168.9000111.1L78 I96 F115 V120 K121 V122 Y123 A145 I147L78-I94 HydrophobicContact CD2-CD1 4.34Å; I94-I96 HydrophobicContact CG1-CG1 4.42Å; I94-I96 HydrophobicContact CG2-CD1 4.38Å; I94-I96 HydrophobicContact CG2-CG1 4.39Å; I94-F115 HydrophobicContact CD1-CD2 3.86Å; I94-F115 HydrophobicContact CD1-CE1 4Å; I94-F115 HydrophobicContact CD1-CE2 3.22Å; I94-F115 HydrophobicContact CD1-CG 4.48Å; I94-F115 HydrophobicContact CD1-CZ 3.31Å; I94-F115 HydrophobicContact CG1-CE2 4.49Å; I94-F115 HydrophobicContact CG2-CB 4.15Å; I94-F115 HydrophobicContact CG2-CD1 4.21Å; I94-F115 HydrophobicContact CG2-CD2 3.86Å; I94-F115 HydrophobicContact CG2-CE2 4.33Å; I94-F115 HydrophobicContact CG2-CG 3.8Å; I94-V120 HydrophobicContact CG2-CG1 4.45Å; I94-K121 PolarHBondContact N-O 3.13Å; I94-V122 HydrophobicContact CG2-CB 4.39Å; I94-V122 HydrophobicContact CG2-CG1 4.33Å; I94-V122 HydrophobicContact CG2-CG2 3.88Å; I94-V122 WeakPolarHBondContact O-CA 3.36Å; I94-Y123 PolarHBondContact O-N 2.91Å; I94-A145 WeakPolarHBondContact CA-O 3.42Å; I94-A145 HydrophobicContact CD1-CB 4.09Å; I94-A145 HydrophobicContact CG1-CB 4.17Å; I94-A145 WeakPolarHBondContact CG1-O 3.47Å; I94-I147 HydrophobicContact CD1-CD1 3.58Å; I94-I147 HydrophobicContact CD1-CG1 3.95Å
95V98.8Very high97Very high0 Ų046.5 Ų46.50%024%0.235CC..EExtended strand (participates in β ladder)trans-104.3137.7169.8-170.10000110.7Y123 F125 A137 V138 C143 A145 G146 I147V95-Y123 CarbonylContact C-O 3.48Å; V95-Y123 WeakPolarHBondContact CA-O 3.38Å; V95-Y123 HydrophobicContact CG2-CD2 4.31Å; V95-F125 HydrophobicContact CG1-CD2 4.07Å; V95-F125 HydrophobicContact CG1-CE2 3.53Å; V95-F125 HydrophobicContact CG1-CZ 4.42Å; V95-A137 HydrophobicContact CB-CB 4.42Å; V95-A137 HydrophobicContact CG1-CB 3.81Å; V95-A137 HydrophobicContact CG2-CB 4.08Å; V95-V138 HydrophobicContact CB-CG2 4.24Å; V95-V138 HydrophobicContact CG2-CG2 4.18Å; V95-C143 HydrophobicContact CG2-CB 4.03Å; V95-C143 WeakPolarHBondContact CG2-SG 3.32Å; V95-A145 PolarHBondContact N-O 2.83Å; V95-G146 CarbonylContact O-C 3.56Å; V95-G146 WeakPolarHBondContact O-CA 3.32Å; V95-I147 PolarHBondContact O-N 3.49Å
96I98.8Very high97.2Very high0 Ų046.4 Ų46.40%023%0.228CC..EExtended strand (participates in β ladder)trans-131.5125.5179.5-54.3-178.6000110.3I94 A108 A111 G112 F115 V122 Y123 F124 F125 I147I94-I96 HydrophobicContact CG1-CG1 4.42Å; I94-I96 HydrophobicContact CG2-CD1 4.38Å; I94-I96 HydrophobicContact CG2-CG1 4.39Å; I96-A108 HydrophobicContact CG2-CB 3.82Å; I96-A111 HydrophobicContact CD1-CB 4.11Å; I96-G112 VanDerWaalsContact CD1-N 3.33Å; I96-F115 HydrophobicContact CD1-CD2 4.33Å; I96-V122 HydrophobicContact CD1-CG1 3.93Å; I96-V122 HydrophobicContact CG1-CG1 4.27Å; I96-Y123 PolarHBondContact N-O 2.98Å; I96-F124 HydrophobicContact CB-CD2 4.2Å; I96-F124 HydrophobicContact CG2-CD2 4.28Å; I96-F124 HydrophobicContact CG2-CE2 4.27Å; I96-F125 WeakPolarHBondContact O-CD2 3.34Å; I96-F125 PolarHBondContact O-N 3.34Å; I96-I147 WeakPolarHBondContact CA-O 3.45Å; I96-I147 HydrophobicContact CD1-CD1 4.3Å; I96-I147 HydrophobicContact CG1-CB 4.3Å; I96-I147 HydrophobicContact CG1-CD1 4.37Å; I96-I147 HydrophobicContact CG2-CB 4.42Å
97G98.6Very high97.3Very high0 Ų042.2 Ų42.20%021%0.21CC..EExtended strand (participates in β ladder)trans-130.3170.6173.500000112.5I147 M148 I149G97-I147 PolarHBondContact N-O 3.33Å; G97-M148 WeakPolarHBondContact O-CA 3.49Å; G97-I149 PolarHBondContact O-N 2.92Å
98Y98.7Very high97.5Very high11 Ų1137.1 Ų37.14%0.04318%0.177CC..EExtended strand (participates in β ladder)trans-152.5155.7-178.858.5-89.9000112.2R105 A108 F124 F125 S126 Y128 V129 I149Y98-R105 HydrophobicContact CD2-CB 3.92Å; Y98-R105 HydrophobicContact CE1-CG 4.27Å; Y98-R105 HydrophobicContact CE2-CB 3.66Å; Y98-R105 HydrophobicContact CE2-CG 4.04Å; Y98-R105 HydrophobicContact CG-CB 4.47Å; Y98-A108 HydrophobicContact CD1-CB 3.63Å; Y98-A108 HydrophobicContact CG-CB 4.09Å; Y98-F124 HydrophobicContact CD1-CZ 4.32Å; Y98-F124 AromaticContact CE1-CE1 3.99Å; Y98-F124 HydrophobicContact CE1-CE1 3.99Å; Y98-F124 AromaticContact CE1-CZ 3.93Å; Y98-F124 HydrophobicContact CE1-CZ 3.93Å; Y98-F125 WeakPolarHBondContact CE1-O 3.33Å; Y98-S126 PolarHBondContact OH-O 3.02Å; Y98-Y128 WeakPolarHBondContact O-CA 3.26Å; Y98-V129 PolarHBondContact O-N 3.43Å; Y98-I149 WeakPolarHBondContact CA-O 3.49Å
99D98.1Very high97.7Very high2 Ų235.6 Ų35.61%0.01117%0.168CC..  trans-92.9-169173.877.81.8000113R101 S104 M148 I149 T150 D313D99-R101 WeakPolarHBondContact OD1-CB 3.45Å; D99-R101 WeakPolarHBondContact OD1-CG 3.17Å; D99-R101 PolarHBondContact OD1-N 2.89Å; D99-R101 WeakPolarHBondContact OD2-CD 3.49Å; D99-R101 IonicContact OD2-NE 2.61Å; D99-R101 PolarHBondContact OD2-NE 3.04Å; D99-S104 WeakPolarHBondContact O-CB 3.05Å; D99-S104 WeakPolarHBondContact OD1-CB 3.26Å; D99-S104 PolarHBondContact OD1-OG 3.23Å; D99-M148 HydrophobicContact CB-CE 4.06Å; D99-I149 PolarHBondContact N-O 2.77Å; D99-T150 WeakPolarHBondContact OD2-CA 3.36Å; D99-T150 VanDerWaalsContact OD2-CB 3.23Å; D99-T150 WeakPolarHBondContact OD2-CB 3.18Å; D99-T150 PolarHBondContact OD2-OG1 2.98Å; D99-D313 HydrophobicContact CB-CB 4.23Å
100V96.9Very high97.9Very high17 Ų1734 Ų3410%0.10316%0.158CC..SBendtrans-80.2-12.2-172.9-53.70000114.6Y128 V245 P273 P275 F277V100-Y128 HydrophobicContact CG1-CD1 4.36Å; V100-Y128 HydrophobicContact CG1-CD2 4.39Å; V100-Y128 HydrophobicContact CG1-CG 4.11Å; V100-V245 HydrophobicContact CG1-CG1 3.58Å; V100-P273 HydrophobicContact CB-CB 4.28Å; V100-P273 HydrophobicContact CG1-CB 3.64Å; V100-P273 HydrophobicContact CG1-CG 4.15Å; V100-P275 WeakPolarHBondContact O-CB 3.02Å; V100-F277 HydrophobicContact CG2-CE1 3.78Å; V100-F277 HydrophobicContact CG2-CZ 4.24Å
101R97.6Very high98.1Very high6 Ų626.8 Ų26.82%0.02312%0.124CC..SBendtrans-63.5157.8-168.8-62.7163.3177.3-82.9-12.7112.1D99 N103 S104 S152 N154 P155 D158 F277D99-R101 WeakPolarHBondContact OD1-CB 3.45Å; D99-R101 WeakPolarHBondContact OD1-CG 3.17Å; D99-R101 PolarHBondContact OD1-N 2.89Å; D99-R101 WeakPolarHBondContact OD2-CD 3.49Å; D99-R101 IonicContact OD2-NE 2.61Å; D99-R101 PolarHBondContact OD2-NE 3.04Å; R101-N103 PolarHBondContact O-N 2.92Å; R101-S104 WeakPolarHBondContact CB-OG 3.28Å; R101-S104 WeakPolarHBondContact O-CB 3.02Å; R101-S104 PolarHBondContact O-N 3.34Å; R101-S104 PolarHBondContact O-OG 2.95Å; R101-S152 PolarHBondContact NH2-O 2.87Å; R101-N154 PolarHBondContact NH1-O 3.38Å; R101-N154 PolarHBondContact NH2-O 3.31Å; R101-P155 PolarHBondContact NH1-O 3.06Å; R101-D158 WeakPolarHBondContact CD-O 3.27Å; R101-D158 PolarHBondContact NH1-O 3.3Å; R101-F277 HydrophobicContact CG-CE2 4.32Å; R101-F277 HydrophobicContact CG-CZ 3.83Å
102H97Very high98.3Very high76 Ų7621.6 Ų21.635%0.35210%0.096SC..THydrogen-bonded Turntrans-49.1135.1169.6-71-61.5000110.4M59 S104 N159 D276M59-H102 HydrophobicContact CE-CB 4.1Å; H102-S104 PolarHBondContact O-N 2.9Å; H102-S104 VanDerWaalsContact O-N 3.1Å; H102-N159 PolarHBondContact O-ND2 3.36Å; H102-N159 VanDerWaalsContact O-ND2 3.09Å; H102-D276 IonicContact CE1-OD2 3.93Å; H102-D276 IonicContact NE2-OD1 3.1Å; H102-D276 PolarHBondContact NE2-OD1 3.49Å; H102-D276 IonicContact NE2-OD2 3.57Å; H102-D276 PolarHBondContact NE2-OD2 3.44Å
103N97.7Very high98.3Very high67 Ų6721.5 Ų21.536%0.35810%0.096SC..THydrogen-bonded Turntrans63.8-3.7-177.5-48.2-60.3000117.5M59 R101 R105 R106 F107M59-N103 HydrophobicContact SD-CB 4.19Å; M59-N103 PolarHBondContact SD-ND2 2.83Å; M59-N103 VanDerWaalsContact SD-ND2 3.43Å; R101-N103 PolarHBondContact O-N 2.92Å; N103-R105 VanDerWaalsContact C-N 3.33Å; N103-R105 PolarHBondContact O-N 3.43Å; N103-R106 WeakPolarHBondContact O-CB 3.44Å; N103-R106 PolarHBondContact O-N 3.35Å; N103-F107 HydrophobicContact CB-CD1 4.26Å; N103-F107 HydrophobicContact CB-CD2 4.31Å; N103-F107 HydrophobicContact CB-CE1 3.79Å; N103-F107 HydrophobicContact CB-CE2 3.85Å; N103-F107 HydrophobicContact CB-CZ 3.56Å; N103-F107 WeakPolarHBondContact O-CG 3.39Å; N103-F107 PolarHBondContact O-N 2.93Å
104S98.4Very high98.3Very high0 Ų020.6 Ų20.60%09%0.09CC..Hα-helixtrans-57.2-45.2-177.8-75.70000112.6D99 R101 H102 F107 A108 N159D99-S104 WeakPolarHBondContact O-CB 3.05Å; D99-S104 WeakPolarHBondContact OD1-CB 3.26Å; D99-S104 PolarHBondContact OD1-OG 3.23Å; R101-S104 WeakPolarHBondContact CB-OG 3.28Å; R101-S104 WeakPolarHBondContact O-CB 3.02Å; R101-S104 PolarHBondContact O-N 3.34Å; R101-S104 PolarHBondContact O-OG 2.95Å; H102-S104 PolarHBondContact O-N 2.9Å; H102-S104 VanDerWaalsContact O-N 3.1Å; S104-F107 PolarHBondContact O-N 2.92Å; S104-A108 PolarHBondContact O-N 2.98Å; S104-N159 PolarHBondContact OG-ND2 3.41Å; S104-N159 PolarHBondContact OG-OD1 3.47Å
105R98.1Very high98.3Very high134 Ų13420.6 Ų20.651%0.5069%0.09SC..Hα-helixtrans-58.8-48.2172.8-179.9175.1174158.76.1112.3Y98 N103 F107 A108 E109Y98-R105 HydrophobicContact CD2-CB 3.92Å; Y98-R105 HydrophobicContact CE1-CG 4.27Å; Y98-R105 HydrophobicContact CE2-CB 3.66Å; Y98-R105 HydrophobicContact CE2-CG 4.04Å; Y98-R105 HydrophobicContact CG-CB 4.47Å; N103-R105 VanDerWaalsContact C-N 3.33Å; N103-R105 PolarHBondContact O-N 3.43Å; R105-F107 VanDerWaalsContact C-N 3.33Å; R105-F107 PolarHBondContact O-N 2.96Å; R105-A108 WeakPolarHBondContact O-CB 3.3Å; R105-A108 PolarHBondContact O-N 2.97Å; R105-E109 HydrophobicContact CG-CG 4.3Å; R105-E109 WeakPolarHBondContact CG-OE1 3.39Å; R105-E109 IonicContact CZ-OE1 3.93Å; R105-E109 IonicContact NE-OE1 2.65Å; R105-E109 PolarHBondContact NE-OE1 3.04Å; R105-E109 IonicContact NH2-OE1 2.63Å; R105-E109 PolarHBondContact NH2-OE1 2.93Å; R105-E109 VanDerWaalsContact O-CG 3.31Å; R105-E109 WeakPolarHBondContact O-CG 3.35Å; R105-E109 PolarHBondContact O-N 2.84Å
106R97.7Very high98.2Very high82 Ų8221 Ų2131%0.3099%0.092SC..Hα-helixtrans-59.7-43.9-179176.3174.2-179.377.32.9111.7D68 N103 A108 E109 L110D68-R106 WeakPolarHBondContact OD1-CD 3.38Å; D68-R106 IonicContact OD1-NE 3.98Å; D68-R106 PolarHBondContact OD1-NE 2.98Å; D68-R106 IonicContact OD2-CZ 2.75Å; D68-R106 IonicContact OD2-NE 2.69Å; D68-R106 PolarHBondContact OD2-NE 2.88Å; D68-R106 IonicContact OD2-NH2 3.04Å; D68-R106 PolarHBondContact OD2-NH2 2.87Å; N103-R106 WeakPolarHBondContact O-CB 3.44Å; N103-R106 PolarHBondContact O-N 3.35Å; R106-A108 VanDerWaalsContact C-N 3.35Å; R106-E109 PolarHBondContact O-N 3.17Å; R106-L110 HydrophobicContact CG-CD1 4.29Å; R106-L110 WeakPolarHBondContact O-CG 3.44Å; R106-L110 PolarHBondContact O-N 2.87Å
107F98.5Very high98.2Very high2 Ų225 Ų251%0.00911%0.107CC..Hα-helixtrans-65.3-39.3177.7-65-15.6000111.7M59 M66 D68 V71 N103 S104 R105 L110 A111 I149 N159M59-F107 HydrophobicContact CG-CE2 4.43Å; M59-F107 HydrophobicContact SD-CE2 4.27Å; M66-F107 HydrophobicContact CB-CE2 4.43Å; D68-F107 VanDerWaalsContact OD1-CE1 3.31Å; D68-F107 WeakPolarHBondContact OD1-CE1 3.31Å; V71-F107 HydrophobicContact CB-CB 4.47Å; V71-F107 HydrophobicContact CG1-CB 4.07Å; V71-F107 WeakPolarHBondContact CG1-O 3.41Å; V71-F107 HydrophobicContact CG2-CB 3.91Å; V71-F107 HydrophobicContact CG2-CD1 4.05Å; V71-F107 HydrophobicContact CG2-CD2 4.09Å; V71-F107 HydrophobicContact CG2-CG 3.75Å; N103-F107 HydrophobicContact CB-CD1 4.26Å; N103-F107 HydrophobicContact CB-CD2 4.31Å; N103-F107 HydrophobicContact CB-CE1 3.79Å; N103-F107 HydrophobicContact CB-CE2 3.85Å; N103-F107 HydrophobicContact CB-CZ 3.56Å; N103-F107 WeakPolarHBondContact O-CG 3.39Å; N103-F107 PolarHBondContact O-N 2.93Å; S104-F107 PolarHBondContact O-N 2.92Å; R105-F107 VanDerWaalsContact C-N 3.33Å; R105-F107 PolarHBondContact O-N 2.96Å; F107-L110 PolarHBondContact O-N 2.6Å; F107-A111 WeakPolarHBondContact O-CB 3.32Å; F107-A111 PolarHBondContact O-N 3.22Å; F107-I149 HydrophobicContact CB-CD1 4.27Å; F107-I149 HydrophobicContact CB-CG1 4.23Å; F107-I149 HydrophobicContact CB-CG2 3.89Å; F107-I149 HydrophobicContact CD2-CG2 4.09Å; F107-N159 HydrophobicContact CE2-CB 4.07Å
108A98.7Very high98.1Very high0 Ų029.1 Ų29.10%013%0.125CC..Hα-helixtrans-63.8-43173.400000111.4I96 Y98 S104 R105 R106 L110 A111 G112 F124 I149I96-A108 HydrophobicContact CG2-CB 3.82Å; Y98-A108 HydrophobicContact CD1-CB 3.63Å; Y98-A108 HydrophobicContact CG-CB 4.09Å; S104-A108 PolarHBondContact O-N 2.98Å; R105-A108 WeakPolarHBondContact O-CB 3.3Å; R105-A108 PolarHBondContact O-N 2.97Å; R106-A108 VanDerWaalsContact C-N 3.35Å; A108-L110 PolarHBondContact O-N 3.02Å; A108-A111 WeakPolarHBondContact O-CB 3.37Å; A108-A111 PolarHBondContact O-N 3.09Å; A108-A111 VanDerWaalsContact O-N 3.16Å; A108-G112 PolarHBondContact O-N 2.82Å; A108-F124 HydrophobicContact CB-CE2 3.86Å; A108-F124 HydrophobicContact CB-CZ 4.09Å; A108-F124 WeakPolarHBondContact O-CE2 3.46Å; A108-I149 HydrophobicContact CB-CG1 3.89Å
109E98.6Very high98Very high36 Ų3629.8 Ų29.817%0.16813%0.134CC..Hα-helixtrans-61.2-43.9178.1-71.5172.2170.200111.3R105 R106 A111 G112 T113 F124 T196 L199R105-E109 HydrophobicContact CG-CG 4.3Å; R105-E109 WeakPolarHBondContact CG-OE1 3.39Å; R105-E109 IonicContact CZ-OE1 3.93Å; R105-E109 IonicContact NE-OE1 2.65Å; R105-E109 PolarHBondContact NE-OE1 3.04Å; R105-E109 IonicContact NH2-OE1 2.63Å; R105-E109 PolarHBondContact NH2-OE1 2.93Å; R105-E109 VanDerWaalsContact O-CG 3.31Å; R105-E109 WeakPolarHBondContact O-CG 3.35Å; R105-E109 PolarHBondContact O-N 2.84Å; R106-E109 PolarHBondContact O-N 3.17Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 3.08Å; E109-G112 PolarHBondContact O-N 2.95Å; E109-T113 WeakPolarHBondContact O-CB 3.44Å; E109-T113 PolarHBondContact O-N 3.36Å; E109-T113 PolarHBondContact O-OG1 2.93Å; E109-F124 HydrophobicContact CG-CE2 4.32Å; E109-F124 HydrophobicContact CG-CZ 3.76Å; E109-T196 HydrophobicContact CB-CG2 3.88Å; E109-L199 VanDerWaalsContact CA-CD1 3.49Å; E109-L199 HydrophobicContact CB-CD1 3.53Å; E109-L199 HydrophobicContact CG-CD1 3.69Å; E109-L199 WeakPolarHBondContact O-CD1 3.43Å
110L98.6Very high98Very high0 Ų029.7 Ų29.70%013%0.134CC..Hα-helixtrans-60.8-42173.8-71.3168000111.6D68 V71 L72 R106 F107 A108 T113 V114 T196D68-L110 HydrophobicContact CB-CD1 3.52Å; D68-L110 VanDerWaalsContact CG-CD1 3.5Å; V71-L110 HydrophobicContact CG1-CB 4.46Å; L72-L110 HydrophobicContact CD1-CD2 4.3Å; L72-L110 HydrophobicContact CD2-CB 4.1Å; L72-L110 HydrophobicContact CD2-CD2 4.07Å; L72-L110 HydrophobicContact CG-CB 4.38Å; L72-L110 HydrophobicContact CG-CD2 4.25Å; R106-L110 HydrophobicContact CG-CD1 4.29Å; R106-L110 WeakPolarHBondContact O-CG 3.44Å; R106-L110 PolarHBondContact O-N 2.87Å; F107-L110 PolarHBondContact O-N 2.6Å; A108-L110 PolarHBondContact O-N 3.02Å; L110-T113 WeakPolarHBondContact O-CB 3.29Å; L110-T113 PolarHBondContact O-N 2.91Å; L110-V114 WeakPolarHBondContact O-CG2 3.34Å; L110-V114 PolarHBondContact O-N 2.9Å; L110-T196 HydrophobicContact CD2-CG2 3.89Å; L110-T196 HydrophobicContact CG-CG2 4.23Å
111A98.6Very high98.1Very high0 Ų032.7 Ų32.70%015%0.146CC..Hα-helixtrans-62.9-47.7177.500000112T75 I96 F107 A108 E109 T113 V114 F115 I147 Y161T75-A111 HydrophobicContact CG2-CB 4Å; T75-A111 WeakPolarHBondContact CG2-O 3.46Å; I96-A111 HydrophobicContact CD1-CB 4.11Å; F107-A111 WeakPolarHBondContact O-CB 3.32Å; F107-A111 PolarHBondContact O-N 3.22Å; A108-A111 WeakPolarHBondContact O-CB 3.37Å; A108-A111 PolarHBondContact O-N 3.09Å; A108-A111 VanDerWaalsContact O-N 3.16Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 3.08Å; A111-T113 VanDerWaalsContact C-N 3.3Å; A111-T113 PolarHBondContact O-N 2.63Å; A111-V114 PolarHBondContact O-N 2.88Å; A111-F115 WeakPolarHBondContact O-CD2 3.44Å; A111-I147 HydrophobicContact CB-CD1 4.16Å; A111-Y161 HydrophobicContact CB-CE2 4.4Å
112G98.6Very high98.1Very high0 Ų032.4 Ų32.40%015%0.145CC..Hα-helixtrans-62-37.817700000112.9I96 A108 E109 V114 F115 L116I96-G112 VanDerWaalsContact CD1-N 3.33Å; A108-G112 PolarHBondContact O-N 2.82Å; E109-G112 PolarHBondContact O-N 2.95Å; G112-V114 PolarHBondContact O-N 3.48Å; G112-F115 PolarHBondContact O-N 2.93Å; G112-L116 WeakPolarHBondContact O-CG 3.39Å; G112-L116 PolarHBondContact O-N 2.92Å
113T98.6Very high98.2Very high0 Ų030.1 Ų30.10%013%0.133CC..Hα-helixtrans-58.5-45.1175.9-59.60000111.9E109 L110 A111 F115 L116 R117 C193 D195 T196 I198E109-T113 WeakPolarHBondContact O-CB 3.44Å; E109-T113 PolarHBondContact O-N 3.36Å; E109-T113 PolarHBondContact O-OG1 2.93Å; L110-T113 WeakPolarHBondContact O-CB 3.29Å; L110-T113 PolarHBondContact O-N 2.91Å; A111-T113 VanDerWaalsContact C-N 3.3Å; A111-T113 PolarHBondContact O-N 2.63Å; T113-F115 VanDerWaalsContact C-N 3.31Å; T113-F115 PolarHBondContact O-N 2.8Å; T113-L116 PolarHBondContact O-N 3.33Å; T113-R117 HydrophobicContact CG2-CG 4.1Å; T113-R117 WeakPolarHBondContact O-CB 3.18Å; T113-R117 WeakPolarHBondContact O-CG 3.47Å; T113-R117 PolarHBondContact O-N 3.29Å; T113-C193 HydrophobicContact CG2-CB 4.49Å; T113-D195 VanDerWaalsContact CG2-O 3.25Å; T113-D195 WeakPolarHBondContact CG2-O 3.29Å; T113-T196 WeakPolarHBondContact OG1-CA 3.14Å; T113-I198 HydrophobicContact CG2-CG2 3.79Å
114V98.5Very high98.3Very high0 Ų027.8 Ų27.80%012%0.12CC..Hα-helixtrans-56.8-44.4179170.90000111.9L72 T75 Q76 C79 L110 A111 G112 K118 W190 C193L72-V114 HydrophobicContact CD2-CG2 3.65Å; T75-V114 HydrophobicContact CG2-CB 3.76Å; T75-V114 HydrophobicContact CG2-CG1 3.86Å; T75-V114 HydrophobicContact CG2-CG2 4.26Å; Q76-V114 HydrophobicContact CG-CG1 3.95Å; Q76-V114 HydrophobicContact CG-CG2 4.27Å; C79-V114 HydrophobicContact CB-CG1 4.11Å; L110-V114 WeakPolarHBondContact O-CG2 3.34Å; L110-V114 PolarHBondContact O-N 2.9Å; A111-V114 PolarHBondContact O-N 2.88Å; G112-V114 PolarHBondContact O-N 3.48Å; V114-K118 PolarHBondContact O-N 3.32Å; V114-W190 HydrophobicContact CG1-CE3 4.09Å; V114-W190 HydrophobicContact CG1-CH2 4.41Å; V114-W190 HydrophobicContact CG1-CZ3 3.63Å; V114-C193 HydrophobicContact CG2-CB 3.89Å
115F98.5Very high98.3Very high0 Ų027.8 Ų27.80%012%0.12CC..Hα-helixtrans-69.9-46.4178.8-76.3-72.2000112.7T75 L78 C79 L82 I94 I96 A111 G112 T113 R117 K118 G119 V120 V122 I147T75-F115 HydrophobicContact CG2-CD2 3.81Å; T75-F115 HydrophobicContact CG2-CE2 3.3Å; T75-F115 HydrophobicContact CG2-CZ 4.08Å; L78-F115 HydrophobicContact CD2-CZ 4.15Å; L78-F115 HydrophobicContact CG-CZ 4.13Å; C79-F115 HydrophobicContact CB-CD1 3.98Å; C79-F115 HydrophobicContact CB-CE1 3.51Å; C79-F115 HydrophobicContact CB-CZ 3.93Å; L82-F115 HydrophobicContact CD1-CE1 3.96Å; L82-F115 HydrophobicContact CD1-CZ 4.39Å; I94-F115 HydrophobicContact CD1-CD2 3.86Å; I94-F115 HydrophobicContact CD1-CE1 4Å; I94-F115 HydrophobicContact CD1-CE2 3.22Å; I94-F115 HydrophobicContact CD1-CG 4.48Å; I94-F115 HydrophobicContact CD1-CZ 3.31Å; I94-F115 HydrophobicContact CG1-CE2 4.49Å; I94-F115 HydrophobicContact CG2-CB 4.15Å; I94-F115 HydrophobicContact CG2-CD1 4.21Å; I94-F115 HydrophobicContact CG2-CD2 3.86Å; I94-F115 HydrophobicContact CG2-CE2 4.33Å; I94-F115 HydrophobicContact CG2-CG 3.8Å; I96-F115 HydrophobicContact CD1-CD2 4.33Å; A111-F115 WeakPolarHBondContact O-CD2 3.44Å; G112-F115 PolarHBondContact O-N 2.93Å; T113-F115 VanDerWaalsContact C-N 3.31Å; T113-F115 PolarHBondContact O-N 2.8Å; F115-R117 VanDerWaalsContact C-N 3.28Å; F115-R117 PolarHBondContact O-N 2.99Å; F115-K118 CarbonylContact O-C 3.47Å; F115-K118 WeakPolarHBondContact O-CA 3.32Å; F115-K118 PolarHBondContact O-N 2.91Å; F115-G119 PolarHBondContact O-N 3.09Å; F115-V120 HydrophobicContact CB-CB 3.99Å; F115-V120 HydrophobicContact CB-CG1 4.19Å; F115-V120 HydrophobicContact CD1-CB 4.01Å; F115-V120 HydrophobicContact CD1-CG1 3.81Å; F115-V120 HydrophobicContact CD1-CG2 4.19Å; F115-V120 HydrophobicContact CG-CB 4.49Å; F115-V120 HydrophobicContact CG-CG1 4.36Å; F115-V120 WeakPolarHBondContact O-CB 3.25Å; F115-V120 PolarHBondContact O-N 2.52Å; F115-V122 HydrophobicContact CB-CG2 3.59Å; F115-I147 HydrophobicContact CE2-CD1 3.74Å
116L98.3Very high98.2Very high8 Ų823.8 Ų23.84%0.04211%0.113CC..Hα-helixtrans-60.3-38.4177.6-69.5173.2000111.8G112 T113 K118 G119 V122 I198 L199 L204 C205G112-L116 WeakPolarHBondContact O-CG 3.39Å; G112-L116 PolarHBondContact O-N 2.92Å; T113-L116 PolarHBondContact O-N 3.33Å; L116-K118 PolarHBondContact O-N 3.43Å; L116-G119 PolarHBondContact O-N 3.22Å; L116-V122 HydrophobicContact CD2-CB 4.04Å; L116-V122 HydrophobicContact CD2-CG2 3.76Å; L116-V122 HydrophobicContact CG-CB 4.24Å; L116-V122 HydrophobicContact CG-CG2 3.73Å; L116-I198 HydrophobicContact CB-CD1 3.98Å; L116-I198 HydrophobicContact CB-CG1 4.21Å; L116-I198 HydrophobicContact CB-CG2 4.21Å; L116-I198 HydrophobicContact CD1-CG1 4.43Å; L116-I198 HydrophobicContact CD1-CG2 4.07Å; L116-L199 HydrophobicContact CD1-CD2 3.69Å; L116-L199 HydrophobicContact CD1-CG 4.17Å; L116-L204 HydrophobicContact CD2-CB 3.71Å; L116-C205 HydrophobicContact CD1-CB 3.93Å; L116-C205 HydrophobicContact CD2-CB 4.13Å
117R97.3Very high98.1Very high84 Ų8426 Ų2632%0.31712%0.124SC..THydrogen-bonded Turntrans-66.3-16.3175.8-69.4-65-172.6-170.1-0.6113.5T113 F115 Q192 D195 I198T113-R117 HydrophobicContact CG2-CG 4.1Å; T113-R117 WeakPolarHBondContact O-CB 3.18Å; T113-R117 WeakPolarHBondContact O-CG 3.47Å; T113-R117 PolarHBondContact O-N 3.29Å; F115-R117 VanDerWaalsContact C-N 3.28Å; F115-R117 PolarHBondContact O-N 2.99Å; R117-Q192 HydrophobicContact CG-CB 4.28Å; R117-Q192 PolarHBondContact NE-O 2.79Å; R117-Q192 PolarHBondContact NH2-O 3.17Å; R117-D195 IonicContact NH2-OD2 3.77Å; R117-I198 HydrophobicContact CG-CD1 4.4Å
118K96.2Very high98.1Very high87 Ų8729.5 Ų29.538%0.37814%0.138SC..THydrogen-bonded Turntrans-99.34.1171-69-63.2-174.1-179.60113.5L83 P89 V114 F115 L116 V120 W190L83-K118 HydrophobicContact CD1-CB 4.44Å; L83-K118 HydrophobicContact CD1-CD 4.42Å; L83-K118 HydrophobicContact CD1-CG 4.34Å; P89-K118 WeakPolarHBondContact CB-O 3.45Å; P89-K118 WeakPolarHBondContact CG-O 3.37Å; V114-K118 PolarHBondContact O-N 3.32Å; F115-K118 CarbonylContact O-C 3.47Å; F115-K118 WeakPolarHBondContact O-CA 3.32Å; F115-K118 PolarHBondContact O-N 2.91Å; L116-K118 PolarHBondContact O-N 3.43Å; K118-V120 VanDerWaalsContact C-N 3.33Å; K118-V120 HydrophobicContact CB-CG2 4.37Å; K118-W190 HydrophobicContact CD-CE3 4.43Å; K118-W190 HydrophobicContact CD-CH2 4.2Å; K118-W190 HydrophobicContact CD-CZ3 3.87Å; K118-W190 VanDerWaalsContact CE-CE3 3.45Å; K118-W190 HydrophobicContact CG-CE3 4.22Å; K118-W190 HydrophobicContact CG-CH2 3.95Å; K118-W190 HydrophobicContact CG-CZ3 3.41Å; K118-W190 VanDerWaalsContact CG-CZ3 3.41Å
119G97.1Very high98.1Very high24 Ų2429.5 Ų29.525%0.24714%0.138CC..THydrogen-bonded Turntrans77.916.2-179.300000114.2F115 L116F115-G119 PolarHBondContact O-N 3.09Å; L116-G119 PolarHBondContact O-N 3.22Å
120V98.3Very high98.1Very high1 Ų127.8 Ų27.81%0.00613%0.13CC..  trans-83.4138.7177.6175.10000109.7P89 L92 I94 F115 K118P89-V120 HydrophobicContact CB-CG2 3.85Å; L92-V120 HydrophobicContact CB-CB 4.34Å; L92-V120 HydrophobicContact CB-CG1 3.71Å; L92-V120 HydrophobicContact CB-CG2 3.91Å; L92-V120 HydrophobicContact CD1-CG2 4.11Å; I94-V120 HydrophobicContact CG2-CG1 4.45Å; F115-V120 HydrophobicContact CB-CB 3.99Å; F115-V120 HydrophobicContact CB-CG1 4.19Å; F115-V120 HydrophobicContact CD1-CB 4.01Å; F115-V120 HydrophobicContact CD1-CG1 3.81Å; F115-V120 HydrophobicContact CD1-CG2 4.19Å; F115-V120 HydrophobicContact CG-CB 4.49Å; F115-V120 HydrophobicContact CG-CG1 4.36Å; F115-V120 WeakPolarHBondContact O-CB 3.25Å; F115-V120 PolarHBondContact O-N 2.52Å; K118-V120 VanDerWaalsContact C-N 3.33Å; K118-V120 HydrophobicContact CB-CG2 4.37Å
121K98.6Very high98Very high80 Ų8027.8 Ų27.835%0.34813%0.13SC..EExtended strand (participates in β ladder)trans-69.6132.6176-175-177.3-64.3175.10110.9L92 S93 I94 Y123 L206L92-K121 PolarHBondContact O-N 2.79Å; L92-K121 VanDerWaalsContact O-N 3.13Å; S93-K121 CarbonylContact C-O 3.49Å; S93-K121 VanDerWaalsContact CA-O 3.26Å; S93-K121 WeakPolarHBondContact CA-O 3.42Å; I94-K121 PolarHBondContact N-O 3.13Å; K121-Y123 HydrophobicContact CD-CE2 4.06Å; K121-Y123 HydrophobicContact CG-CE2 4.45Å; K121-L206 HydrophobicContact CD-CD1 4.42Å
122V98.8Very high98Very high0 Ų027.8 Ų27.80%013%0.13CC..EExtended strand (participates in β ladder)trans-122.2121-177.9-177.50000110.4I94 I96 F115 L116 F124 L204 C205 L206I94-V122 HydrophobicContact CG2-CB 4.39Å; I94-V122 HydrophobicContact CG2-CG1 4.33Å; I94-V122 HydrophobicContact CG2-CG2 3.88Å; I94-V122 WeakPolarHBondContact O-CA 3.36Å; I96-V122 HydrophobicContact CD1-CG1 3.93Å; I96-V122 HydrophobicContact CG1-CG1 4.27Å; F115-V122 HydrophobicContact CB-CG2 3.59Å; L116-V122 HydrophobicContact CD2-CB 4.04Å; L116-V122 HydrophobicContact CD2-CG2 3.76Å; L116-V122 HydrophobicContact CG-CB 4.24Å; L116-V122 HydrophobicContact CG-CG2 3.73Å; V122-F124 HydrophobicContact CG1-CB 4.15Å; V122-L204 PolarHBondContact N-O 3.33Å; V122-C205 CarbonylContact O-C 3.33Å; V122-C205 WeakPolarHBondContact O-CA 3.07Å; V122-L206 PolarHBondContact O-N 3.03Å
123Y98.8Very high98Very high27 Ų2727.9 Ų27.911%0.10613%0.13CC..EExtended strand (participates in β ladder)trans-90.6101.3164.5-64.1-83.8000108.6I94 V95 I96 K121 Y141 C143 L206 P208I94-Y123 PolarHBondContact O-N 2.91Å; V95-Y123 CarbonylContact C-O 3.48Å; V95-Y123 WeakPolarHBondContact CA-O 3.38Å; V95-Y123 HydrophobicContact CG2-CD2 4.31Å; I96-Y123 PolarHBondContact N-O 2.98Å; K121-Y123 HydrophobicContact CD-CE2 4.06Å; K121-Y123 HydrophobicContact CG-CE2 4.45Å; Y123-Y141 AromaticContact CD1-CD2 3.95Å; Y123-Y141 HydrophobicContact CD1-CD2 3.95Å; Y123-Y141 HydrophobicContact CD1-CE1 4.45Å; Y123-Y141 AromaticContact CD1-CE2 3.79Å; Y123-Y141 HydrophobicContact CD1-CE2 3.79Å; Y123-Y141 HydrophobicContact CD1-CG 4.34Å; Y123-Y141 HydrophobicContact CD2-CD2 4.26Å; Y123-Y141 HydrophobicContact CD2-CG 4.38Å; Y123-Y141 AromaticContact CE1-CD1 3.81Å; Y123-Y141 HydrophobicContact CE1-CD1 3.81Å; Y123-Y141 AromaticContact CE1-CD2 3.99Å; Y123-Y141 HydrophobicContact CE1-CD2 3.99Å; Y123-Y141 AromaticContact CE1-CE1 3.78Å; Y123-Y141 HydrophobicContact CE1-CE1 3.78Å; Y123-Y141 AromaticContact CE1-CE2 3.93Å; Y123-Y141 HydrophobicContact CE1-CE2 3.93Å; Y123-Y141 AromaticContact CE1-CG 3.92Å; Y123-Y141 HydrophobicContact CE1-CG 3.92Å; Y123-Y141 AromaticContact CE1-CZ 3.83Å; Y123-Y141 HydrophobicContact CE2-CD1 4.41Å; Y123-Y141 HydrophobicContact CE2-CD2 4.31Å; Y123-Y141 AromaticContact CE2-CG 3.98Å; Y123-Y141 HydrophobicContact CE2-CG 3.98Å; Y123-Y141 HydrophobicContact CG-CD2 4.08Å; Y123-Y141 HydrophobicContact CG-CE2 4.28Å; Y123-Y141 AromaticContact CZ-CD1 3.72Å; Y123-Y141 AromaticContact CZ-CG 3.73Å; Y123-C143 VanDerWaalsContact CD2-SG 3.52Å; Y123-L206 CarbonylContact C-O 3.6Å; Y123-L206 WeakPolarHBondContact CA-O 3.37Å; Y123-L206 HydrophobicContact CD1-CB 4.01Å; Y123-L206 HydrophobicContact CD1-CD1 4.36Å; Y123-L206 HydrophobicContact CE1-CB 4.27Å; Y123-L206 HydrophobicContact CE1-CD1 3.8Å; Y123-P208 HydrophobicContact CD1-CB 4.28Å
124F98.7Very high98Very high19 Ų1927.9 Ų27.98%0.08313%0.13CC..EExtended strand (participates in β ladder)trans-106.2113.8-175-172.4-86000110.3I96 Y98 A108 E109 V122 S126 L199 L206 P208I96-F124 HydrophobicContact CB-CD2 4.2Å; I96-F124 HydrophobicContact CG2-CD2 4.28Å; I96-F124 HydrophobicContact CG2-CE2 4.27Å; Y98-F124 HydrophobicContact CD1-CZ 4.32Å; Y98-F124 AromaticContact CE1-CE1 3.99Å; Y98-F124 HydrophobicContact CE1-CE1 3.99Å; Y98-F124 AromaticContact CE1-CZ 3.93Å; Y98-F124 HydrophobicContact CE1-CZ 3.93Å; A108-F124 HydrophobicContact CB-CE2 3.86Å; A108-F124 HydrophobicContact CB-CZ 4.09Å; A108-F124 WeakPolarHBondContact O-CE2 3.46Å; E109-F124 HydrophobicContact CG-CE2 4.32Å; E109-F124 HydrophobicContact CG-CZ 3.76Å; V122-F124 HydrophobicContact CG1-CB 4.15Å; F124-S126 PolarHBondContact O-N 2.98Å; F124-L199 HydrophobicContact CD2-CD2 3.97Å; F124-L199 HydrophobicContact CE2-CD2 4.42Å; F124-L199 HydrophobicContact CG-CD2 4.26Å; F124-L206 PolarHBondContact N-O 3.13Å; F124-P208 VanDerWaalsContact O-CD 3.32Å; F124-P208 WeakPolarHBondContact O-CD 3.25Å
125F98.6Very high97.9Very high0 Ų027.9 Ų27.90%013%0.13CC..  trans-64.1123.2176.6-76.7-78.8000110.9V95 I96 Y98 K127 V129 L133 V134 A137 P208 L209 V212V95-F125 HydrophobicContact CG1-CD2 4.07Å; V95-F125 HydrophobicContact CG1-CE2 3.53Å; V95-F125 HydrophobicContact CG1-CZ 4.42Å; I96-F125 WeakPolarHBondContact O-CD2 3.34Å; I96-F125 PolarHBondContact O-N 3.34Å; Y98-F125 WeakPolarHBondContact CE1-O 3.33Å; F125-K127 PolarHBondContact O-N 2.63Å; F125-V129 HydrophobicContact CB-CG1 3.99Å; F125-V129 HydrophobicContact CB-CG2 4.35Å; F125-V129 HydrophobicContact CD1-CG1 3.56Å; F125-V129 HydrophobicContact CD2-CG1 4.36Å; F125-V129 HydrophobicContact CD2-CG2 4.06Å; F125-V129 HydrophobicContact CE1-CG1 4.04Å; F125-V129 HydrophobicContact CG-CG1 3.73Å; F125-V129 HydrophobicContact CG-CG2 4.14Å; F125-L133 HydrophobicContact CE1-CD2 3.88Å; F125-L133 HydrophobicContact CE1-CG 4.33Å; F125-L133 HydrophobicContact CZ-CD2 4.12Å; F125-L133 HydrophobicContact CZ-CG 4.1Å; F125-V134 HydrophobicContact CD2-CG2 4.32Å; F125-V134 HydrophobicContact CE2-CG2 4.05Å; F125-A137 HydrophobicContact CE2-CB 4.23Å; F125-A137 HydrophobicContact CZ-CB 4Å; F125-P208 HydrophobicContact CD1-CG 3.71Å; F125-P208 HydrophobicContact CD2-CG 4.08Å; F125-P208 HydrophobicContact CE1-CB 4.33Å; F125-P208 HydrophobicContact CE1-CG 3.71Å; F125-P208 HydrophobicContact CE2-CG 4.07Å; F125-P208 HydrophobicContact CG-CG 3.92Å; F125-P208 HydrophobicContact CZ-CB 4.5Å; F125-P208 HydrophobicContact CZ-CG 3.89Å; F125-L209 HydrophobicContact CD1-CB 4.05Å; F125-L209 HydrophobicContact CD1-CD1 3.86Å; F125-L209 HydrophobicContact CE1-CD1 4.29Å; F125-V212 HydrophobicContact CE1-CB 4.44Å; F125-V212 HydrophobicContact CZ-CB 4.49Å; F125-V212 HydrophobicContact CZ-CG1 4.22Å
126S96Very high97.9Very high50 Ų5028.1 Ų28.135%0.3513%0.131SC..SBendtrans-72.1-12.3-177.559.90000115.1Y98 F124 D207Y98-S126 PolarHBondContact OH-O 3.02Å; F124-S126 PolarHBondContact O-N 2.98Å; S126-D207 WeakPolarHBondContact CB-OD2 3.47Å; S126-D207 PolarHBondContact N-OD1 3.42Å; S126-D207 VanDerWaalsContact OG-CG 3.25Å; S126-D207 PolarHBondContact OG-OD1 3.49Å; S126-D207 PolarHBondContact OG-OD2 2.55Å
127K96.9Very high97.9Very high128 Ų12827.7 Ų27.756%0.55713%0.129SC*.SBendtrans-134.8165.7177.9-67.7-168.9175.1-171.50110.3F125 L209F125-K127 PolarHBondContact O-N 2.63Å; K127-L209 HydrophobicContact CB-CD2 4.09Å; K127-L209 HydrophobicContact CD-CD2 4.3Å; K127-L209 HydrophobicContact CG-CD2 4.18Å
128Y97.4Very high98Very high75 Ų7523.7 Ų23.729%0.29411%0.114SC..  trans-59.7142.5171.448.1-107.2000110.9Y98 V100 V245 Y249 P273Y98-Y128 WeakPolarHBondContact O-CA 3.26Å; V100-Y128 HydrophobicContact CG1-CD1 4.36Å; V100-Y128 HydrophobicContact CG1-CD2 4.39Å; V100-Y128 HydrophobicContact CG1-CG 4.11Å; Y128-V245 HydrophobicContact CD2-CB 4.16Å; Y128-V245 HydrophobicContact CD2-CG1 3.72Å; Y128-V245 HydrophobicContact CG-CG1 4.07Å; Y128-Y249 PolarHBondContact O-OH 2.94Å; Y128-P273 HydrophobicContact CD2-CG 4.46Å; Y128-P273 HydrophobicContact CE1-CB 4.18Å; Y128-P273 HydrophobicContact CE1-CG 4.17Å; Y128-P273 HydrophobicContact CE2-CG 3.72Å
129V98.6Very high98Very high0 Ų021.6 Ų21.60%011%0.109CC..  trans-137.3155.8-173.6-71.80000111.4Y98 F125 L133 V134 M148 L209 Y249Y98-V129 PolarHBondContact O-N 3.43Å; F125-V129 HydrophobicContact CB-CG1 3.99Å; F125-V129 HydrophobicContact CB-CG2 4.35Å; F125-V129 HydrophobicContact CD1-CG1 3.56Å; F125-V129 HydrophobicContact CD2-CG1 4.36Å; F125-V129 HydrophobicContact CD2-CG2 4.06Å; F125-V129 HydrophobicContact CE1-CG1 4.04Å; F125-V129 HydrophobicContact CG-CG1 3.73Å; F125-V129 HydrophobicContact CG-CG2 4.14Å; V129-L133 HydrophobicContact CB-CD2 4.1Å; V129-L133 HydrophobicContact CG1-CD2 3.83Å; V129-V134 HydrophobicContact CG2-CG2 3.92Å; V129-M148 HydrophobicContact CG2-SD 4.31Å; V129-M148 WeakPolarHBondContact O-CE 3.26Å; V129-L209 HydrophobicContact CG1-CD1 3.93Å; V129-Y249 VanDerWaalsContact CG1-OH 3.31Å; V129-Y249 WeakPolarHBondContact CG1-OH 3.27Å
130P98.2Very high98Very high1 Ų123.6 Ų23.61%0.00611%0.111CC..  trans-60.7141.8166.1-2334000111.1P132 L133 V245 Y249 D313 A314 V432P130-P132 VanDerWaalsContact C-CD 3.46Å; P130-P132 VanDerWaalsContact C-N 3.35Å; P130-P132 HydrophobicContact CB-CG 3.78Å; P130-L133 WeakPolarHBondContact O-CB 3.4Å; P130-L133 PolarHBondContact O-N 2.93Å; P130-V245 HydrophobicContact CB-CG2 4.26Å; P130-V245 HydrophobicContact CG-CG2 4Å; P130-Y249 VanDerWaalsContact CD-CD2 3.42Å; P130-Y249 VanDerWaalsContact CD-CE2 3.41Å; P130-Y249 HydrophobicContact CG-CD1 3.93Å; P130-Y249 HydrophobicContact CG-CD2 3.52Å; P130-Y249 HydrophobicContact CG-CE1 4.41Å; P130-Y249 HydrophobicContact CG-CE2 4.07Å; P130-Y249 HydrophobicContact CG-CG 3.46Å; P130-Y249 VanDerWaalsContact CG-CG 3.46Å; P130-D313 VanDerWaalsContact CA-O 3.29Å; P130-D313 WeakPolarHBondContact CA-O 3.42Å; P130-A314 HydrophobicContact CB-CB 4.2Å; P130-V432 HydrophobicContact CB-CG2 4.11Å; P130-V432 HydrophobicContact CG-CG2 3.94Å
131T98Very high98Very high0 Ų025.6 Ų25.60%012%0.118CC..Hα-helixtrans-46.8-47.5169.1-75.50000114L133 V134 K162 Y164 D313 D315T131-L133 PolarHBondContact O-N 3.23Å; T131-V134 PolarHBondContact O-N 3.42Å; T131-K162 HydrophobicContact CG2-CD 4.14Å; T131-K162 VanDerWaalsContact CG2-NZ 3.32Å; T131-K162 PolarHBondContact OG1-NZ 3.09Å; T131-Y164 WeakPolarHBondContact CG2-OH 3.33Å; T131-D313 PolarHBondContact N-O 3.05Å; T131-D313 WeakPolarHBondContact OG1-CB 3.48Å; T131-D313 VanDerWaalsContact OG1-CG 3.23Å; T131-D313 PolarHBondContact OG1-OD2 2.77Å; T131-D315 HydrophobicContact CG2-CB 4.02Å
132P97.6Very high97.9Very high0 Ų030.2 Ų30.20%014%0.138CC..Hα-helixtrans-60-29.4179.320.7-35.3000114.1P130 V134 S135 Y136 S426 K429 D430P130-P132 VanDerWaalsContact C-CD 3.46Å; P130-P132 VanDerWaalsContact C-N 3.35Å; P130-P132 HydrophobicContact CB-CG 3.78Å; P132-V134 VanDerWaalsContact C-N 3.31Å; P132-V134 PolarHBondContact O-N 3.34Å; P132-S135 PolarHBondContact O-N 3.44Å; P132-Y136 WeakPolarHBondContact O-CB 3.32Å; P132-Y136 PolarHBondContact O-N 2.62Å; P132-S426 PolarHBondContact O-OG 2.82Å; P132-K429 WeakPolarHBondContact CB-O 3.29Å; P132-D430 HydrophobicContact CB-CB 3.82Å; P132-D430 VanDerWaalsContact CB-CG 3.5Å; P132-D430 WeakPolarHBondContact CB-OD2 3.39Å; P132-D430 HydrophobicContact CG-CB 4.25Å
133L98.2Very high97.9Very high1 Ų130.3 Ų30.31%0.00514%0.139CC..Hα-helixtrans-67.9-32.8-178.1-165.468.5000111.9F125 V129 P130 T131 Y136 A137 V212 Y216 Y249F125-L133 HydrophobicContact CE1-CD2 3.88Å; F125-L133 HydrophobicContact CE1-CG 4.33Å; F125-L133 HydrophobicContact CZ-CD2 4.12Å; F125-L133 HydrophobicContact CZ-CG 4.1Å; V129-L133 HydrophobicContact CB-CD2 4.1Å; V129-L133 HydrophobicContact CG1-CD2 3.83Å; P130-L133 WeakPolarHBondContact O-CB 3.4Å; P130-L133 PolarHBondContact O-N 2.93Å; T131-L133 PolarHBondContact O-N 3.23Å; L133-Y136 HydrophobicContact CD1-CD1 4.48Å; L133-A137 VanDerWaalsContact O-CB 3.28Å; L133-A137 WeakPolarHBondContact O-CB 3.16Å; L133-A137 PolarHBondContact O-N 3.29Å; L133-V212 HydrophobicContact CD1-CG1 3.82Å; L133-V212 HydrophobicContact CG-CG1 4.07Å; L133-Y216 HydrophobicContact CD1-CD1 3.9Å; L133-Y216 HydrophobicContact CD1-CD2 3.9Å; L133-Y216 HydrophobicContact CD1-CE1 4.43Å; L133-Y216 HydrophobicContact CD1-CE2 4.44Å; L133-Y216 HydrophobicContact CD1-CG 3.59Å; L133-Y249 HydrophobicContact CD2-CD1 4.35Å; L133-Y249 HydrophobicContact CD2-CE1 3.81Å
134V98.6Very high97.8Very high0 Ų030 Ų300%014%0.139CC..Hα-helixtrans-67.6-46.2174179.10000110.6F125 V129 T131 P132 Y136 A137 V138 M148 Y164F125-V134 HydrophobicContact CD2-CG2 4.32Å; F125-V134 HydrophobicContact CE2-CG2 4.05Å; V129-V134 HydrophobicContact CG2-CG2 3.92Å; T131-V134 PolarHBondContact O-N 3.42Å; P132-V134 VanDerWaalsContact C-N 3.31Å; P132-V134 PolarHBondContact O-N 3.34Å; V134-Y136 VanDerWaalsContact C-N 3.33Å; V134-Y136 PolarHBondContact O-N 2.8Å; V134-A137 PolarHBondContact O-N 2.7Å; V134-V138 WeakPolarHBondContact O-CG2 3.2Å; V134-V138 PolarHBondContact O-N 3.03Å; V134-V138 VanDerWaalsContact O-N 3.13Å; V134-M148 HydrophobicContact CB-CB 4.38Å; V134-M148 HydrophobicContact CG1-CB 4.37Å; V134-M148 HydrophobicContact CG2-CB 4.25Å; V134-M148 HydrophobicContact CG2-CG 4.43Å; V134-M148 HydrophobicContact CG2-SD 3.68Å; V134-Y164 HydrophobicContact CB-CE2 4.34Å; V134-Y164 HydrophobicContact CG1-CD2 4.05Å; V134-Y164 HydrophobicContact CG1-CE2 4.08Å
135S97.9Very high97.8Very high0 Ų029.1 Ų29.10%014%0.135CC..Hα-helixtrans-57.2-46.6175.5169.60000111.4P132 V138 G168 L427P132-S135 PolarHBondContact O-N 3.44Å; S135-V138 PolarHBondContact O-N 2.9Å; S135-G168 WeakPolarHBondContact CB-O 3.35Å; S135-G168 PolarHBondContact OG-O 3.19Å; S135-L427 WeakPolarHBondContact OG-CA 3.36Å; S135-L427 PolarHBondContact OG-N 2.66Å; S135-L427 PolarHBondContact OG-O 3.19Å
136Y98.1Very high97.8Very high5 Ų529.1 Ų29.12%0.0214%0.135CC..Hα-helixtrans-60.5-47.8176.1174-98.2000112.2P132 L133 V134 V138 T139 F140 V212 Q215 Y216 D219 A425P132-Y136 WeakPolarHBondContact O-CB 3.32Å; P132-Y136 PolarHBondContact O-N 2.62Å; L133-Y136 HydrophobicContact CD1-CD1 4.48Å; V134-Y136 VanDerWaalsContact C-N 3.33Å; V134-Y136 PolarHBondContact O-N 2.8Å; Y136-V138 VanDerWaalsContact C-N 3.27Å; Y136-V138 PolarHBondContact O-N 3.37Å; Y136-T139 PolarHBondContact O-N 3.46Å; Y136-T139 VanDerWaalsContact O-N 3.07Å; Y136-T139 PolarHBondContact O-OG1 3.43Å; Y136-F140 HydrophobicContact CE1-CB 4.22Å; Y136-F140 HydrophobicContact CE1-CG 4.44Å; Y136-F140 PolarHBondContact O-N 2.86Å; Y136-V212 HydrophobicContact CD1-CG1 3.66Å; Y136-V212 HydrophobicContact CE1-CG1 3.87Å; Y136-Q215 WeakPolarHBondContact OH-CB 3.4Å; Y136-Q215 WeakPolarHBondContact OH-CG 3.39Å; Y136-Y216 AromaticContact CD1-CD2 3.93Å; Y136-Y216 HydrophobicContact CD1-CD2 3.93Å; Y136-Y216 HydrophobicContact CD1-CG 4.39Å; Y136-Y216 HydrophobicContact CD2-CD2 4.17Å; Y136-Y216 HydrophobicContact CE1-CD2 4.41Å; Y136-Y216 AromaticContact CG-CD2 3.81Å; Y136-Y216 HydrophobicContact CG-CD2 3.81Å; Y136-D219 PolarHBondContact OH-OD2 3.31Å; Y136-A425 HydrophobicContact CD2-CB 3.66Å; Y136-A425 HydrophobicContact CE2-CB 3.63Å
137A98.6Very high97.9Very high0 Ų026.7 Ų26.70%012%0.119CC..Hα-helixtrans-59-35.5-179.600000113.4V95 F125 L133 V134 T139 F140 Y141 V212V95-A137 HydrophobicContact CB-CB 4.42Å; V95-A137 HydrophobicContact CG1-CB 3.81Å; V95-A137 HydrophobicContact CG2-CB 4.08Å; F125-A137 HydrophobicContact CE2-CB 4.23Å; F125-A137 HydrophobicContact CZ-CB 4Å; L133-A137 VanDerWaalsContact O-CB 3.28Å; L133-A137 WeakPolarHBondContact O-CB 3.16Å; L133-A137 PolarHBondContact O-N 3.29Å; V134-A137 PolarHBondContact O-N 2.7Å; A137-T139 VanDerWaalsContact C-N 3.33Å; A137-T139 PolarHBondContact O-N 3.48Å; A137-F140 PolarHBondContact O-N 2.75Å; A137-Y141 PolarHBondContact O-N 2.92Å; A137-V212 HydrophobicContact CB-CG1 3.92Å; A137-V212 HydrophobicContact CB-CG2 4.2Å
138V98.4Very high98Very high0 Ų020.6 Ų20.60%09%0.092CC..Hα-helixtrans-58.9-46.5175.3172.50000110.7V95 V134 S135 Y136 K142 C143 W165V95-V138 HydrophobicContact CB-CG2 4.24Å; V95-V138 HydrophobicContact CG2-CG2 4.18Å; V134-V138 WeakPolarHBondContact O-CG2 3.2Å; V134-V138 PolarHBondContact O-N 3.03Å; V134-V138 VanDerWaalsContact O-N 3.13Å; S135-V138 PolarHBondContact O-N 2.9Å; Y136-V138 VanDerWaalsContact C-N 3.27Å; Y136-V138 PolarHBondContact O-N 3.37Å; V138-K142 CarbonylContact O-C 3.49Å; V138-K142 VanDerWaalsContact O-CA 3.27Å; V138-K142 WeakPolarHBondContact O-CA 3.22Å; V138-K142 PolarHBondContact O-N 2.65Å; V138-C143 HydrophobicContact CG1-CB 4.25Å; V138-C143 PolarHBondContact O-N 2.96Å; V138-W165 VanDerWaalsContact CG1-O 3.31Å; V138-W165 WeakPolarHBondContact CG1-O 3.46Å
139T96.6Very high98.1Very high42 Ų4217 Ų1726%0.2588%0.078SC..Hα-helixtrans-70.9-37.8177.660.60000113Y136 A137 K142 N167 L427Y136-T139 PolarHBondContact O-N 3.46Å; Y136-T139 VanDerWaalsContact O-N 3.07Å; Y136-T139 PolarHBondContact O-OG1 3.43Å; A137-T139 VanDerWaalsContact C-N 3.33Å; A137-T139 PolarHBondContact O-N 3.48Å; T139-K142 PolarHBondContact O-N 3.01Å; T139-N167 VanDerWaalsContact CG2-O 3.26Å; T139-N167 WeakPolarHBondContact CG2-O 3.36Å; T139-L427 HydrophobicContact CG2-CD1 4.06Å
140F97.1Very high98Very high66 Ų6617 Ų1729%0.2898%0.078SC..Hα-helixtrans-61.8-49.5-179.2179.3-104.2000111.9Y136 A137 E211 V212 Q215Y136-F140 HydrophobicContact CE1-CB 4.22Å; Y136-F140 HydrophobicContact CE1-CG 4.44Å; Y136-F140 PolarHBondContact O-N 2.86Å; A137-F140 PolarHBondContact O-N 2.75Å; F140-E211 HydrophobicContact CE1-CG 4.03Å; F140-E211 HydrophobicContact CZ-CG 4.15Å; F140-V212 HydrophobicContact CD1-CG2 4.03Å; F140-V212 HydrophobicContact CE1-CG2 4.41Å; F140-Q215 HydrophobicContact CD2-CG 4.17Å; F140-Q215 HydrophobicContact CE2-CB 4.03Å; F140-Q215 HydrophobicContact CE2-CG 3.72Å; F140-Q215 HydrophobicContact CZ-CB 4.42Å
141Y97.8Very high97.8Very high44 Ų4417 Ų1717%0.1738%0.078CC..Hα-helixtrans-87.5-1.5177-69.7-62.5000114.1Y123 A137 C143 P208 E211 V212Y123-Y141 AromaticContact CD1-CD2 3.95Å; Y123-Y141 HydrophobicContact CD1-CD2 3.95Å; Y123-Y141 HydrophobicContact CD1-CE1 4.45Å; Y123-Y141 AromaticContact CD1-CE2 3.79Å; Y123-Y141 HydrophobicContact CD1-CE2 3.79Å; Y123-Y141 HydrophobicContact CD1-CG 4.34Å; Y123-Y141 HydrophobicContact CD2-CD2 4.26Å; Y123-Y141 HydrophobicContact CD2-CG 4.38Å; Y123-Y141 AromaticContact CE1-CD1 3.81Å; Y123-Y141 HydrophobicContact CE1-CD1 3.81Å; Y123-Y141 AromaticContact CE1-CD2 3.99Å; Y123-Y141 HydrophobicContact CE1-CD2 3.99Å; Y123-Y141 AromaticContact CE1-CE1 3.78Å; Y123-Y141 HydrophobicContact CE1-CE1 3.78Å; Y123-Y141 AromaticContact CE1-CE2 3.93Å; Y123-Y141 HydrophobicContact CE1-CE2 3.93Å; Y123-Y141 AromaticContact CE1-CG 3.92Å; Y123-Y141 HydrophobicContact CE1-CG 3.92Å; Y123-Y141 AromaticContact CE1-CZ 3.83Å; Y123-Y141 HydrophobicContact CE2-CD1 4.41Å; Y123-Y141 HydrophobicContact CE2-CD2 4.31Å; Y123-Y141 AromaticContact CE2-CG 3.98Å; Y123-Y141 HydrophobicContact CE2-CG 3.98Å; Y123-Y141 HydrophobicContact CG-CD2 4.08Å; Y123-Y141 HydrophobicContact CG-CE2 4.28Å; Y123-Y141 AromaticContact CZ-CD1 3.72Å; Y123-Y141 AromaticContact CZ-CG 3.73Å; A137-Y141 PolarHBondContact O-N 2.92Å; Y141-C143 PolarHBondContact O-N 3.23Å; Y141-P208 HydrophobicContact CE2-CB 3.64Å; Y141-E211 VanDerWaalsContact OH-CD 3.31Å; Y141-E211 PolarHBondContact OH-OE2 3.47Å; Y141-V212 HydrophobicContact CD2-CG2 4.27Å; Y141-V212 HydrophobicContact CE2-CG2 3.41Å; Y141-V212 VanDerWaalsContact CE2-CG2 3.41Å
142K97Very high97.6Very high176 Ų17617 Ų1777%0.7658%0.078SC*.THydrogen-bonded Turntrans52.842.8-172.6-55.3177-179.3176.10112.3V138 T139V138-K142 CarbonylContact O-C 3.49Å; V138-K142 VanDerWaalsContact O-CA 3.27Å; V138-K142 WeakPolarHBondContact O-CA 3.22Å; V138-K142 PolarHBondContact O-N 2.65Å; T139-K142 PolarHBondContact O-N 3.01Å
143C98.4Very high97.3Very high2 Ų218.2 Ų18.21%0.0148%0.083CC..  trans-65.5158.1176.3-71.40000111.2S93 V95 Y123 V138 Y141 G166S93-C143 WeakPolarHBondContact O-CB 3.43Å; S93-C143 WeakPolarHBondContact OG-CA 3.45Å; V95-C143 HydrophobicContact CG2-CB 4.03Å; V95-C143 WeakPolarHBondContact CG2-SG 3.32Å; Y123-C143 VanDerWaalsContact CD2-SG 3.52Å; V138-C143 HydrophobicContact CG1-CB 4.25Å; V138-C143 PolarHBondContact O-N 2.96Å; Y141-C143 PolarHBondContact O-N 3.23Å; C143-G166 WeakPolarHBondContact O-CA 3.34Å
144D98.3Very high96.9Very high21 Ų2119.6 Ų19.611%0.1129%0.091CC..SBendtrans-78.7-26.2179.5-64.4-81.6000112.9L82 K86 L92 S93 G166L82-D144 HydrophobicContact CD2-CB 4.12Å; K86-D144 WeakPolarHBondContact CD-OD1 3.37Å; K86-D144 VanDerWaalsContact CE-OD1 3.26Å; K86-D144 WeakPolarHBondContact CE-OD1 3.49Å; K86-D144 IonicContact NZ-OD1 2.93Å; K86-D144 PolarHBondContact NZ-OD1 3.31Å; K86-D144 IonicContact NZ-OD2 3.8Å; L92-D144 VanDerWaalsContact CA-OD2 3.27Å; L92-D144 WeakPolarHBondContact CA-OD2 3.41Å; L92-D144 HydrophobicContact CD2-CB 3.82Å; L92-D144 VanDerWaalsContact CD2-CG 3.46Å; S93-D144 PolarHBondContact N-OD2 3Å; S93-D144 PolarHBondContact O-N 3.14Å; D144-G166 WeakPolarHBondContact O-CA 3.37Å; D144-G166 PolarHBondContact O-N 2.8Å
145A98Very high96.5Very high0 Ų021.7 Ų21.70%010%0.104CC..EExtended strand (participates in β ladder)trans-156173.2175.200000110.7L82 I94 V95 Y164L82-A145 HydrophobicContact CD1-CB 4.02Å; I94-A145 WeakPolarHBondContact CA-O 3.42Å; I94-A145 HydrophobicContact CD1-CB 4.09Å; I94-A145 HydrophobicContact CG1-CB 4.17Å; I94-A145 WeakPolarHBondContact CG1-O 3.47Å; V95-A145 PolarHBondContact N-O 2.83Å; A145-Y164 CarbonylContact C-O 3.57Å; A145-Y164 WeakPolarHBondContact CA-O 3.33Å; A145-Y164 WeakPolarHBondContact CB-O 3.38Å
146G98.3Very high96.4Very high0 Ų025 Ų250%012%0.119CC..EExtended strand (participates in β ladder)trans-141.2150.8166.200000111.9V95 V163 Y164V95-G146 CarbonylContact O-C 3.56Å; V95-G146 WeakPolarHBondContact O-CA 3.32Å; G146-V163 WeakPolarHBondContact O-CA 3.23Å; G146-Y164 PolarHBondContact N-O 2.87Å; G146-Y164 PolarHBondContact O-N 2.8Å
147I98.6Very high96.2Very high0 Ų029.3 Ų29.30%014%0.142CC..EExtended strand (participates in β ladder)trans-123.6130.9175.5-63.9160.3000109.1T75 L78 I94 V95 I96 G97 A111 F115 I149 Y161 K162T75-I147 HydrophobicContact CG2-CD1 4.28Å; L78-I147 HydrophobicContact CD2-CD1 4.04Å; L78-I147 HydrophobicContact CD2-CG1 4.05Å; I94-I147 HydrophobicContact CD1-CD1 3.58Å; I94-I147 HydrophobicContact CD1-CG1 3.95Å; V95-I147 PolarHBondContact O-N 3.49Å; I96-I147 WeakPolarHBondContact CA-O 3.45Å; I96-I147 HydrophobicContact CD1-CD1 4.3Å; I96-I147 HydrophobicContact CG1-CB 4.3Å; I96-I147 HydrophobicContact CG1-CD1 4.37Å; I96-I147 HydrophobicContact CG2-CB 4.42Å; G97-I147 PolarHBondContact N-O 3.33Å; A111-I147 HydrophobicContact CB-CD1 4.16Å; F115-I147 HydrophobicContact CE2-CD1 3.74Å; I147-I149 HydrophobicContact CG2-CD1 3.74Å; I147-I149 HydrophobicContact CG2-CG1 4.39Å; I147-Y161 HydrophobicContact CD1-CE2 4.25Å; I147-Y161 WeakPolarHBondContact CD1-OH 3.44Å; I147-Y161 HydrophobicContact CG1-CE1 4.31Å; I147-Y161 HydrophobicContact CG1-CE2 4.49Å; I147-Y161 HydrophobicContact CG2-CD2 4.03Å; I147-Y161 HydrophobicContact CG2-CE1 4.35Å; I147-Y161 HydrophobicContact CG2-CE2 3.68Å; I147-Y161 HydrophobicContact CG2-CG 4.49Å; I147-K162 WeakPolarHBondContact CA-O 3.39Å
148M98.5Very high96.1Very high0 Ų030.3 Ų30.30%015%0.147CC..EExtended strand (participates in β ladder)trans-121119.6169.4178.462.9-176.700109.5G97 D99 V129 V134 T150 K162 Y164 D313G97-M148 WeakPolarHBondContact O-CA 3.49Å; D99-M148 HydrophobicContact CB-CE 4.06Å; V129-M148 HydrophobicContact CG2-SD 4.31Å; V129-M148 WeakPolarHBondContact O-CE 3.26Å; V134-M148 HydrophobicContact CB-CB 4.38Å; V134-M148 HydrophobicContact CG1-CB 4.37Å; V134-M148 HydrophobicContact CG2-CB 4.25Å; V134-M148 HydrophobicContact CG2-CG 4.43Å; V134-M148 HydrophobicContact CG2-SD 3.68Å; M148-T150 HydrophobicContact CE-CG2 4.3Å; M148-T150 HydrophobicContact CG-CG2 3.72Å; M148-T150 PolarHBondContact O-N 3.29Å; M148-K162 HydrophobicContact CB-CB 4.2Å; M148-K162 PolarHBondContact N-O 3.21Å; M148-K162 WeakPolarHBondContact O-CB 3.38Å; M148-K162 PolarHBondContact O-N 3.25Å; M148-Y164 HydrophobicContact CB-CE2 4.01Å; M148-D313 HydrophobicContact CE-CB 4.45Å
149I98.7Very high96Very high0 Ų030.3 Ų30.30%015%0.147CC..EExtended strand (participates in β ladder)trans-87.1108.6175.9-54.6-57.1000109.5G97 Y98 D99 F107 A108 I147 N159 G160 Y161G97-I149 PolarHBondContact O-N 2.92Å; Y98-I149 WeakPolarHBondContact CA-O 3.49Å; D99-I149 PolarHBondContact N-O 2.77Å; F107-I149 HydrophobicContact CB-CD1 4.27Å; F107-I149 HydrophobicContact CB-CG1 4.23Å; F107-I149 HydrophobicContact CB-CG2 3.89Å; F107-I149 HydrophobicContact CD2-CG2 4.09Å; A108-I149 HydrophobicContact CB-CG1 3.89Å; I147-I149 HydrophobicContact CG2-CD1 3.74Å; I147-I149 HydrophobicContact CG2-CG1 4.39Å; I149-N159 WeakPolarHBondContact CG2-OD1 3.38Å; I149-G160 WeakPolarHBondContact CA-O 3.43Å; I149-G160 WeakPolarHBondContact CG2-O 3.28Å; I149-Y161 HydrophobicContact CD1-CD2 3.47Å; I149-Y161 VanDerWaalsContact CD1-CD2 3.47Å; I149-Y161 HydrophobicContact CD1-CE2 4.08Å; I149-Y161 HydrophobicContact CD1-CG 4.27Å
150T97.4Very high95.9Very high0 Ų028.3 Ų28.30%014%0.135CC..  trans-171.5151.8-179-177.90000112D99 M148 S152 G160 K162 D313D99-T150 WeakPolarHBondContact OD2-CA 3.36Å; D99-T150 VanDerWaalsContact OD2-CB 3.23Å; D99-T150 WeakPolarHBondContact OD2-CB 3.18Å; D99-T150 PolarHBondContact OD2-OG1 2.98Å; M148-T150 HydrophobicContact CE-CG2 4.3Å; M148-T150 HydrophobicContact CG-CG2 3.72Å; M148-T150 PolarHBondContact O-N 3.29Å; T150-S152 PolarHBondContact OG1-N 2.96Å; T150-G160 PolarHBondContact N-O 2.95Å; T150-G160 VanDerWaalsContact N-O 3.11Å; T150-G160 CarbonylContact O-C 3.44Å; T150-G160 WeakPolarHBondContact O-CA 3.44Å; T150-G160 PolarHBondContact O-N 2.8Å; T150-K162 HydrophobicContact CG2-CD 3.64Å; T150-K162 HydrophobicContact CG2-CG 4.23Å; T150-D313 HydrophobicContact CG2-CB 4.33Å; T150-D313 WeakPolarHBondContact CG2-OD2 3.37Å; T150-D313 WeakPolarHBondContact OG1-CB 3.27Å; T150-D313 PolarHBondContact OG1-OD2 2.93Å
151A94.3Very high95.9Very high0 Ų025.2 Ų25.20%012%0.122CC..  trans-106.117.1162.800000113.9H153 N154 D158A151-H153 PolarHBondContact O-N 3.39Å; A151-H153 VanDerWaalsContact O-N 3.12Å; A151-N154 HydrophobicContact CB-CB 3.77Å; A151-N154 WeakPolarHBondContact O-CB 3.46Å; A151-N154 PolarHBondContact O-N 3.34Å; A151-N154 VanDerWaalsContact O-N 3.15Å; A151-N154 PolarHBondContact O-OD1 3.3Å; A151-N154 VanDerWaalsContact O-OD1 3.05Å; A151-D158 HydrophobicContact CB-CB 4.05Å
152S93.2Very high95.9Very high0 Ų023.3 Ų23.30%011%0.114CC..THydrogen-bonded Turntrans53.8-114.3-179.5154.80000111.1R101 T150 D311 P312 D313R101-S152 PolarHBondContact NH2-O 2.87Å; T150-S152 PolarHBondContact OG1-N 2.96Å; S152-D311 PolarHBondContact OG-OD2 2.98Å; S152-P312 WeakPolarHBondContact O-CD 3.46Å; S152-D313 WeakPolarHBondContact CA-OD1 3.34Å; S152-D313 WeakPolarHBondContact CB-OD1 3.42Å
153H91.6Very high95.8Very high25 Ų2515 Ų1512%0.1168%0.078CC..THydrogen-bonded Turntrans-89.7-1.3-176.266.8-72000115.6A151 P283 N284 D311 R316A151-H153 PolarHBondContact O-N 3.39Å; A151-H153 VanDerWaalsContact O-N 3.12Å; H153-P283 WeakPolarHBondContact O-CD 3.35Å; H153-N284 HydrophobicContact CB-CB 3.76Å; H153-N284 VanDerWaalsContact CD2-CG 3.42Å; H153-D311 HydrophobicContact CB-CB 4.09Å; H153-D311 PolarHBondContact N-OD2 2.78Å; H153-R316 PolarHBondContact CD2-NH1 2.8Å; H153-R316 VanDerWaalsContact CD2-NH1 3.27Å; H153-R316 PolarHBondContact CE1-NH1 2.99Å; H153-R316 PolarHBondContact CE1-NH2 3.49Å; H153-R316 PolarHBondContact ND1-NH1 2.82Å; H153-R316 PolarHBondContact ND1-NH2 3.28Å; H153-R316 PolarHBondContact NE2-NH1 3.46Å
154N90.1Very high95.7Very high31 Ų3114.9 Ų14.917%0.1668%0.077CC..SBendtrans-63163.1-178.2-80.769.9000112.7R101 A151 D158R101-N154 PolarHBondContact NH1-O 3.38Å; R101-N154 PolarHBondContact NH2-O 3.31Å; A151-N154 HydrophobicContact CB-CB 3.77Å; A151-N154 WeakPolarHBondContact O-CB 3.46Å; A151-N154 PolarHBondContact O-N 3.34Å; A151-N154 VanDerWaalsContact O-N 3.15Å; A151-N154 PolarHBondContact O-OD1 3.3Å; A151-N154 VanDerWaalsContact O-OD1 3.05Å; N154-D158 HydrophobicContact CB-CB 3.82Å; N154-D158 PolarHBondContact ND2-OD2 3.18Å
155P90.5Very high95.6Very high43 Ų4315.9 Ų15.928%0.2798%0.08SC..  trans-53.7157.3174.7-22.529.9000113.7R101 D157 D158 F282R101-P155 PolarHBondContact NH1-O 3.06Å; P155-D157 PolarHBondContact O-N 2.88Å; P155-D157 VanDerWaalsContact O-N 3.12Å; P155-D158 WeakPolarHBondContact O-CB 3.35Å; P155-D158 PolarHBondContact O-N 2.99Å; P155-F282 HydrophobicContact CG-CD2 3.87Å; P155-F282 HydrophobicContact CG-CE2 4.24Å
156K94.5Very high95.5Very high69 Ų6917 Ų1730%0.39%0.092SC..THydrogen-bonded Turntrans-55.3-31-176.970.6179.6-169.4167.60115.6M59 D158 D276 F277M59-K156 VanDerWaalsContact CE-O 3.31Å; M59-K156 WeakPolarHBondContact CE-O 3.37Å; K156-D158 PolarHBondContact O-N 2.92Å; K156-D276 HydrophobicContact CD-CB 4.47Å; K156-D276 VanDerWaalsContact CD-O 3.25Å; K156-D276 WeakPolarHBondContact CD-O 3.25Å; K156-D276 IonicContact NZ-OD1 3.98Å; K156-D276 PolarHBondContact NZ-OD1 2.84Å; K156-F277 HydrophobicContact CB-CD2 3.68Å; K156-F277 HydrophobicContact CB-CE2 4.08Å; K156-F277 HydrophobicContact CB-CG 4.42Å
157D95.3Very high95.4Very high96 Ų9617.9 Ų17.951%0.51310%0.096SC..THydrogen-bonded Turntrans-75.3-14.4-179.3-61.8-40.8000112.1T58 M59 P155T58-D157 CarbonylContact C-O 3.54Å; T58-D157 HydrophobicContact CG2-CB 3.97Å; M59-D157 WeakPolarHBondContact CB-O 3.34Å; M59-D157 WeakPolarHBondContact CE-O 3.47Å; M59-D157 PolarHBondContact N-O 2.77Å; P155-D157 PolarHBondContact O-N 2.88Å; P155-D157 VanDerWaalsContact O-N 3.12Å
158D95Very high95.2Very high21 Ų2117.9 Ų17.911%0.11210%0.096CC..EExtended strand (participates in β ladder)trans-87.1147.3175.3-72.3-5.7000111.8T58 R101 A151 N154 P155 K156T58-D158 WeakPolarHBondContact CA-OD1 3.49Å; T58-D158 WeakPolarHBondContact CB-OD1 3.38Å; T58-D158 PolarHBondContact N-OD1 2.94Å; T58-D158 VanDerWaalsContact N-OD1 3.14Å; T58-D158 PolarHBondContact OG1-OD1 2.93Å; R101-D158 WeakPolarHBondContact CD-O 3.27Å; R101-D158 PolarHBondContact NH1-O 3.3Å; A151-D158 HydrophobicContact CB-CB 4.05Å; N154-D158 HydrophobicContact CB-CB 3.82Å; N154-D158 PolarHBondContact ND2-OD2 3.18Å; P155-D158 WeakPolarHBondContact O-CB 3.35Å; P155-D158 PolarHBondContact O-N 2.99Å; K156-D158 PolarHBondContact O-N 2.92Å
159N96.8Very high95Very high0 Ų017.9 Ų17.90%010%0.096CC..EExtended strand (participates in β ladder)trans-136.3179.1166.9-149.4-36.6000109.6G57 M59 M66 H102 S104 F107 I149G57-N159 PolarHBondContact N-O 3.09Å; G57-N159 VanDerWaalsContact N-O 3.11Å; G57-N159 PolarHBondContact O-N 3.29Å; M59-N159 HydrophobicContact CE-CB 4.23Å; M59-N159 HydrophobicContact CG-CB 3.64Å; M59-N159 HydrophobicContact SD-CB 3.74Å; M66-N159 HydrophobicContact CB-CB 4.24Å; M66-N159 HydrophobicContact CG-CB 4.48Å; M66-N159 WeakPolarHBondContact CG-O 3.47Å; H102-N159 PolarHBondContact O-ND2 3.36Å; H102-N159 VanDerWaalsContact O-ND2 3.09Å; S104-N159 PolarHBondContact OG-ND2 3.41Å; S104-N159 PolarHBondContact OG-OD1 3.47Å; F107-N159 HydrophobicContact CE2-CB 4.07Å; I149-N159 WeakPolarHBondContact CG2-OD1 3.38Å
160G95.4Very high94.8Very high0 Ų018.2 Ų18.20%010%0.098CC..EExtended strand (participates in β ladder)trans-162.7172.1-177.900000114.2L55 I149 T150L55-G160 CarbonylContact O-C 3.53Å; L55-G160 WeakPolarHBondContact O-CA 3.26Å; I149-G160 WeakPolarHBondContact CA-O 3.43Å; I149-G160 WeakPolarHBondContact CG2-O 3.28Å; T150-G160 PolarHBondContact N-O 2.95Å; T150-G160 VanDerWaalsContact N-O 3.11Å; T150-G160 CarbonylContact O-C 3.44Å; T150-G160 WeakPolarHBondContact O-CA 3.44Å; T150-G160 PolarHBondContact O-N 2.8Å
161Y97Very high94.4Very high2 Ų218.7 Ų18.71%0.00810%0.101CC..EExtended strand (participates in β ladder)trans-137.696.9-175.7-174.2-81.7000108G54 L55 V71 T75 A111 I147 I149 V163G54-Y161 CarbonylContact C-O 3.59Å; G54-Y161 WeakPolarHBondContact CA-O 3.31Å; L55-Y161 PolarHBondContact N-O 3.34Å; L55-Y161 PolarHBondContact O-N 2.9Å; V71-Y161 HydrophobicContact CG1-CD2 4.26Å; V71-Y161 HydrophobicContact CG1-CE2 4.21Å; T75-Y161 WeakPolarHBondContact CA-OH 3.48Å; T75-Y161 WeakPolarHBondContact CB-OH 3.41Å; T75-Y161 WeakPolarHBondContact OG1-CE2 3.43Å; T75-Y161 PolarHBondContact OG1-OH 3.11Å; A111-Y161 HydrophobicContact CB-CE2 4.4Å; I147-Y161 HydrophobicContact CD1-CE2 4.25Å; I147-Y161 WeakPolarHBondContact CD1-OH 3.44Å; I147-Y161 HydrophobicContact CG1-CE1 4.31Å; I147-Y161 HydrophobicContact CG1-CE2 4.49Å; I147-Y161 HydrophobicContact CG2-CD2 4.03Å; I147-Y161 HydrophobicContact CG2-CE1 4.35Å; I147-Y161 HydrophobicContact CG2-CE2 3.68Å; I147-Y161 HydrophobicContact CG2-CG 4.49Å; I149-Y161 HydrophobicContact CD1-CD2 3.47Å; I149-Y161 VanDerWaalsContact CD1-CD2 3.47Å; I149-Y161 HydrophobicContact CD1-CE2 4.08Å; I149-Y161 HydrophobicContact CD1-CG 4.27Å; Y161-V163 HydrophobicContact CD1-CG2 3.63Å; Y161-V163 HydrophobicContact CE1-CG2 3.34Å
162K96.4Very high93.9Very high3 Ų319.8 Ų19.81%0.01311%0.107CC..EExtended strand (participates in β ladder)trans-88.9142176.5-66.2177174.5172.40109.8A53 T131 I147 M148 T150 D313 D315A53-K162 HydrophobicContact CB-CG 4.29Å; A53-K162 WeakPolarHBondContact O-CA 3.45Å; T131-K162 HydrophobicContact CG2-CD 4.14Å; T131-K162 VanDerWaalsContact CG2-NZ 3.32Å; T131-K162 PolarHBondContact OG1-NZ 3.09Å; I147-K162 WeakPolarHBondContact CA-O 3.39Å; M148-K162 HydrophobicContact CB-CB 4.2Å; M148-K162 PolarHBondContact N-O 3.21Å; M148-K162 WeakPolarHBondContact O-CB 3.38Å; M148-K162 PolarHBondContact O-N 3.25Å; T150-K162 HydrophobicContact CG2-CD 3.64Å; T150-K162 HydrophobicContact CG2-CG 4.23Å; K162-D313 IonicContact NZ-OD2 2.76Å; K162-D313 PolarHBondContact NZ-OD2 3.33Å; K162-D315 IonicContact NZ-OD2 2.66Å; K162-D315 PolarHBondContact NZ-OD2 3.35Å
163V95.7Very high93.3Very high1 Ų123 Ų231%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-125.6128.7178.7-171.30000110.9F50 A53 L78 G146 Y161 L171F50-V163 HydrophobicContact CE1-CG2 4.23Å; F50-V163 HydrophobicContact CZ-CG2 4.34Å; A53-V163 PolarHBondContact O-N 3.24Å; L78-V163 HydrophobicContact CD1-CG1 4.18Å; L78-V163 HydrophobicContact CD2-CG1 3.79Å; L78-V163 HydrophobicContact CD2-CG2 4.43Å; G146-V163 WeakPolarHBondContact O-CA 3.23Å; Y161-V163 HydrophobicContact CD1-CG2 3.63Å; Y161-V163 HydrophobicContact CE1-CG2 3.34Å; V163-L171 HydrophobicContact CB-CD1 3.79Å; V163-L171 HydrophobicContact CB-CG 3.97Å; V163-L171 HydrophobicContact CG1-CD1 3.75Å; V163-L171 HydrophobicContact CG1-CD2 3.96Å; V163-L171 HydrophobicContact CG1-CG 3.88Å; V163-L171 PolarHBondContact O-N 3.41Å
164Y96.9Very high92.9Very high0 Ų025.4 Ų25.40%015%0.151CC..EExtended strand (participates in β ladder)trans-105.9142.3170.8-56-78.6000109.8T131 V134 A145 G146 M148 G168 A169 Q170 D428T131-Y164 WeakPolarHBondContact CG2-OH 3.33Å; V134-Y164 HydrophobicContact CB-CE2 4.34Å; V134-Y164 HydrophobicContact CG1-CD2 4.05Å; V134-Y164 HydrophobicContact CG1-CE2 4.08Å; A145-Y164 CarbonylContact C-O 3.57Å; A145-Y164 WeakPolarHBondContact CA-O 3.33Å; A145-Y164 WeakPolarHBondContact CB-O 3.38Å; G146-Y164 PolarHBondContact N-O 2.87Å; G146-Y164 PolarHBondContact O-N 2.8Å; M148-Y164 HydrophobicContact CB-CE2 4.01Å; Y164-G168 VanDerWaalsContact CD1-O 3.23Å; Y164-G168 WeakPolarHBondContact CD1-O 3.44Å; Y164-A169 CarbonylContact C-O 3.59Å; Y164-A169 VanDerWaalsContact CA-O 3.29Å; Y164-A169 WeakPolarHBondContact CA-O 3.47Å; Y164-Q170 HydrophobicContact CD1-CG 4.01Å; Y164-Q170 HydrophobicContact CE1-CG 3.74Å; Y164-D428 HydrophobicContact CE1-CB 3.98Å; Y164-D428 VanDerWaalsContact CE1-OD2 3.3Å; Y164-D428 WeakPolarHBondContact CE1-OD2 3.29Å; Y164-D428 PolarHBondContact OH-OD2 3.05Å
165W96.1Very high92.9Very high42 Ų4226 Ų2616%0.15915%0.153CC..EExtended strand (participates in β ladder)trans-82.9174170.5-159.8-122.8000111.1Y81 L82 L85 V138 N167 G168 A169 L171 H175Y81-W165 HydrophobicContact CD1-CH2 4.05Å; Y81-W165 HydrophobicContact CD1-CZ3 4.21Å; Y81-W165 AromaticContact CE1-CH2 3.67Å; Y81-W165 HydrophobicContact CE1-CH2 3.67Å; Y81-W165 HydrophobicContact CE1-CZ3 4.07Å; L82-W165 HydrophobicContact CD2-CH2 3.5Å; L82-W165 VanDerWaalsContact CD2-CH2 3.5Å; L82-W165 HydrophobicContact CD2-CZ2 4.41Å; L82-W165 HydrophobicContact CD2-CZ3 3.62Å; L85-W165 HydrophobicContact CD1-CH2 3.6Å; L85-W165 HydrophobicContact CD1-CZ2 3.6Å; V138-W165 VanDerWaalsContact CG1-O 3.31Å; V138-W165 WeakPolarHBondContact CG1-O 3.46Å; W165-N167 PolarHBondContact O-N 2.84Å; W165-G168 PolarHBondContact O-N 2.65Å; W165-A169 PolarHBondContact N-O 3.32Å; W165-L171 HydrophobicContact CB-CD2 4.01Å; W165-L171 HydrophobicContact CD2-CD2 4.31Å; W165-L171 HydrophobicContact CE3-CD2 3.66Å; W165-L171 HydrophobicContact CG-CD2 4.49Å; W165-H175 AromaticContact CD1-CD2 3.76Å; W165-H175 AromaticContact CD1-NE2 3.82Å; W165-H175 HydrophobicContact CD2-CB 4.4Å; W165-H175 AromaticContact CD2-CD2 3.89Å; W165-H175 AromaticContact CD2-CG 3.97Å; W165-H175 AromaticContact CE2-CD2 3.56Å; W165-H175 AromaticContact CE2-CE1 3.52Å; W165-H175 AromaticContact CE2-CG 3.71Å; W165-H175 AromaticContact CE2-ND1 3.68Å; W165-H175 AromaticContact CE2-NE2 3.46Å; W165-H175 HydrophobicContact CE3-CB 4.33Å; W165-H175 AromaticContact CH2-ND1 3.7Å; W165-H175 AromaticContact CZ2-CE1 3.3Å; W165-H175 WeakPolarHBondContact CZ2-CE1 3.01Å; W165-H175 AromaticContact CZ2-CG 3.82Å; W165-H175 AromaticContact CZ2-ND1 3.34Å; W165-H175 VanDerWaalsContact CZ2-ND1 3.34Å; W165-H175 WeakPolarHBondContact CZ2-ND1 3.34Å; W165-H175 AromaticContact CZ2-NE2 3.77Å; W165-H175 HydrophobicContact CZ3-CB 4.43Å; W165-H175 AromaticContact NE1-CD2 3.46Å; W165-H175 PolarHBondContact NE1-CD2 3.09Å; W165-H175 AromaticContact NE1-CE1 3.62Å; W165-H175 AromaticContact NE1-NE2 3.14Å; W165-H175 PolarHBondContact NE1-NE2 2.87Å; W165-H175 VanDerWaalsContact NE1-NE2 3.14Å
166G95.7Very high92.7Very high25 Ų2525.3 Ų25.326%0.25815%0.147SC..THydrogen-bonded Turntrans-64.2-6.9-17600000116C143 D144 G168C143-G166 WeakPolarHBondContact O-CA 3.34Å; D144-G166 WeakPolarHBondContact O-CA 3.37Å; D144-G166 PolarHBondContact O-N 2.8Å; G166-G168 VanDerWaalsContact C-N 3.34Å
167N94.7Very high92.1Very high17 Ų1726.3 Ų26.39%0.09116%0.159CC..THydrogen-bonded Turntrans-87.92.3168.167.6-8000113.5T139 W165 A169 N399 Y402 L427T139-N167 VanDerWaalsContact CG2-O 3.26Å; T139-N167 WeakPolarHBondContact CG2-O 3.36Å; W165-N167 PolarHBondContact O-N 2.84Å; N167-A169 PolarHBondContact O-N 2.97Å; N167-A169 WeakPolarHBondContact OD1-CB 3.27Å; N167-A169 PolarHBondContact OD1-N 3.04Å; N167-N399 PolarHBondContact ND2-OD1 2.96Å; N167-Y402 HydrophobicContact CB-CD1 3.9Å; N167-Y402 HydrophobicContact CB-CD2 3.81Å; N167-Y402 HydrophobicContact CB-CE1 3.85Å; N167-Y402 HydrophobicContact CB-CE2 3.76Å; N167-Y402 HydrophobicContact CB-CG 3.87Å; N167-L427 WeakPolarHBondContact O-CD1 3.3Å
168G95.6Very high91.8Very high0 Ų024.3 Ų24.30%015%0.148CC..SBendtrans79-6.4-177.200000115.3S135 Y164 W165 G166S135-G168 WeakPolarHBondContact CB-O 3.35Å; S135-G168 PolarHBondContact OG-O 3.19Å; Y164-G168 VanDerWaalsContact CD1-O 3.23Å; Y164-G168 WeakPolarHBondContact CD1-O 3.44Å; W165-G168 PolarHBondContact O-N 2.65Å; G166-G168 VanDerWaalsContact C-N 3.34Å
169A94.7Very high91.6Very high0 Ų023.3 Ų23.30%014%0.143CC..SBendtrans-89.8157.9177.200000111.3Y164 W165 N167 A398 N399Y164-A169 CarbonylContact C-O 3.59Å; Y164-A169 VanDerWaalsContact CA-O 3.29Å; Y164-A169 WeakPolarHBondContact CA-O 3.47Å; W165-A169 PolarHBondContact N-O 3.32Å; N167-A169 PolarHBondContact O-N 2.97Å; N167-A169 WeakPolarHBondContact OD1-CB 3.27Å; N167-A169 PolarHBondContact OD1-N 3.04Å; A169-A398 HydrophobicContact CB-CB 3.55Å; A169-N399 HydrophobicContact CB-CB 4.5Å; A169-N399 WeakPolarHBondContact CB-ND2 3.33Å
170Q93.6Very high91.2Very high7 Ų726.2 Ų26.23%0.03316%0.158CC..BIsolated β-bridgetrans-62.9154.4175.1-64.9170.81.700111.6A53 Y164 V172 K395 N399 D428A53-Q170 VanDerWaalsContact CB-CD 3.5Å; A53-Q170 HydrophobicContact CB-CG 4.4Å; Y164-Q170 HydrophobicContact CD1-CG 4.01Å; Y164-Q170 HydrophobicContact CE1-CG 3.74Å; Q170-V172 PolarHBondContact O-N 3.26Å; Q170-K395 HydrophobicContact CB-CB 3.63Å; Q170-N399 PolarHBondContact O-ND2 3.35Å; Q170-D428 PolarHBondContact NE2-OD1 3.24Å; Q170-D428 PolarHBondContact NE2-OD2 2.89Å
171L88.6Confident90.9Very high11 Ų1132.5 Ų32.56%0.05819%0.185CC..PPolyproline II helixtrans-59.4135.1-176.3-58.5-179.2000113F50 V163 W165 H175 D176 V179 K395F50-L171 HydrophobicContact CE1-CD1 4.16Å; V163-L171 HydrophobicContact CB-CD1 3.79Å; V163-L171 HydrophobicContact CB-CG 3.97Å; V163-L171 HydrophobicContact CG1-CD1 3.75Å; V163-L171 HydrophobicContact CG1-CD2 3.96Å; V163-L171 HydrophobicContact CG1-CG 3.88Å; V163-L171 PolarHBondContact O-N 3.41Å; W165-L171 HydrophobicContact CB-CD2 4.01Å; W165-L171 HydrophobicContact CD2-CD2 4.31Å; W165-L171 HydrophobicContact CE3-CD2 3.66Å; W165-L171 HydrophobicContact CG-CD2 4.49Å; L171-H175 HydrophobicContact CD2-CB 4.28Å; L171-D176 HydrophobicContact CB-CB 3.96Å; L171-V179 HydrophobicContact CD1-CB 4.49Å; L171-V179 HydrophobicContact CD1-CG2 4.2Å; L171-K395 WeakPolarHBondContact O-CD 3.43Å
172V83.7Confident90.7Very high23 Ų2334.7 Ų34.714%0.13920%0.195CC..  trans-126.8170.1166.7-66.30000109.5Q170 H175 D176 K395 W396Q170-V172 PolarHBondContact O-N 3.26Å; V172-H175 PolarHBondContact O-N 3.17Å; V172-D176 PolarHBondContact O-N 3.12Å; V172-K395 HydrophobicContact CG1-CB 3.99Å; V172-K395 HydrophobicContact CG1-CD 4.05Å; V172-K395 HydrophobicContact CG1-CG 4Å; V172-W396 HydrophobicContact CG1-CD2 4.49Å; V172-W396 HydrophobicContact CG1-CE3 4.24Å; V172-W396 HydrophobicContact CG1-CZ3 4.33Å
173A80.3Confident90.5Very high66 Ų6635 Ų3555%0.54520%0.197SC..THydrogen-bonded Turntrans-58.9142.8176.200000111.8D176A173-D176 WeakPolarHBondContact CA-OD1 2.93Å; A173-D176 PolarHBondContact N-OD1 3.3Å
174P85.2Confident90.3Very high76 Ų7641.4 Ų41.449%0.49423%0.227SC..THydrogen-bonded Turncis-88.20.22.936.7-36.8000114.4N178P174-N178 WeakPolarHBondContact O-CB 3.28Å; P174-N178 VanDerWaalsContact O-CG 3.26Å; P174-N178 PolarHBondContact O-N 3.31Å; P174-N178 VanDerWaalsContact O-N 3.11Å; P174-N178 PolarHBondContact O-ND2 2.86Å
175H89.4Confident90.1Very high43 Ų4345.3 Ų45.320%0.19926%0.255CS..Hα-helixtrans-68.1-41.5-171.2-61.4-53.2000112.8Y81 W165 L171 V172 N178 V179Y81-H175 HydrophobicContact CE1-CB 4.08Å; Y81-H175 AromaticContact CE1-ND1 3.58Å; Y81-H175 AromaticContact CZ-ND1 3.69Å; Y81-H175 PolarHBondContact OH-ND1 2.85Å; W165-H175 AromaticContact CD1-CD2 3.76Å; W165-H175 AromaticContact CD1-NE2 3.82Å; W165-H175 HydrophobicContact CD2-CB 4.4Å; W165-H175 AromaticContact CD2-CD2 3.89Å; W165-H175 AromaticContact CD2-CG 3.97Å; W165-H175 AromaticContact CE2-CD2 3.56Å; W165-H175 AromaticContact CE2-CE1 3.52Å; W165-H175 AromaticContact CE2-CG 3.71Å; W165-H175 AromaticContact CE2-ND1 3.68Å; W165-H175 AromaticContact CE2-NE2 3.46Å; W165-H175 HydrophobicContact CE3-CB 4.33Å; W165-H175 AromaticContact CH2-ND1 3.7Å; W165-H175 AromaticContact CZ2-CE1 3.3Å; W165-H175 WeakPolarHBondContact CZ2-CE1 3.01Å; W165-H175 AromaticContact CZ2-CG 3.82Å; W165-H175 AromaticContact CZ2-ND1 3.34Å; W165-H175 VanDerWaalsContact CZ2-ND1 3.34Å; W165-H175 WeakPolarHBondContact CZ2-ND1 3.34Å; W165-H175 AromaticContact CZ2-NE2 3.77Å; W165-H175 HydrophobicContact CZ3-CB 4.43Å; W165-H175 AromaticContact NE1-CD2 3.46Å; W165-H175 PolarHBondContact NE1-CD2 3.09Å; W165-H175 AromaticContact NE1-CE1 3.62Å; W165-H175 AromaticContact NE1-NE2 3.14Å; W165-H175 PolarHBondContact NE1-NE2 2.87Å; W165-H175 VanDerWaalsContact NE1-NE2 3.14Å; L171-H175 HydrophobicContact CD2-CB 4.28Å; V172-H175 PolarHBondContact O-N 3.17Å; H175-N178 PolarHBondContact O-N 2.78Å; H175-V179 WeakPolarHBondContact O-CB 3.19Å; H175-V179 VanDerWaalsContact O-CG2 3.24Å; H175-V179 WeakPolarHBondContact O-CG2 3.25Å; H175-V179 PolarHBondContact O-N 3.13Å
176D85.4Confident89.9Confident29 Ų2944.8 Ų44.816%0.15526%0.255CS..Hα-helixtrans-58.2-49.6176.656.5-1.4000112.8L171 V172 A173 N178 V179 L180L171-D176 HydrophobicContact CB-CB 3.96Å; V172-D176 PolarHBondContact O-N 3.12Å; A173-D176 WeakPolarHBondContact CA-OD1 2.93Å; A173-D176 PolarHBondContact N-OD1 3.3Å; D176-N178 PolarHBondContact O-N 3.02Å; D176-V179 PolarHBondContact O-N 3.27Å; D176-L180 WeakPolarHBondContact O-CG 3.34Å; D176-L180 PolarHBondContact O-N 2.9Å; D176-L180 VanDerWaalsContact O-N 3.07Å
177V83.4Confident89.8Confident90 Ų9045.8 Ų45.855%0.54525%0.254SS..Hα-helixtrans-61.6-43.1177.9175.80000111.2L180 K181V177-L180 PolarHBondContact O-N 3.02Å; V177-K181 PolarHBondContact O-N 2.69Å
178N88.7Confident89.9Confident54 Ų5449 Ų4929%0.28928%0.275SS..Hα-helixtrans-72.1-37.2-178.2-72.1-36.1000112.9Y81 P174 H175 D176 K181 Q182Y81-N178 HydrophobicContact CD1-CB 4.38Å; Y81-N178 HydrophobicContact CD2-CB 3.72Å; Y81-N178 HydrophobicContact CE1-CB 3.96Å; Y81-N178 HydrophobicContact CE2-CB 3.28Å; Y81-N178 HydrophobicContact CG-CB 4.26Å; Y81-N178 PolarHBondContact OH-ND2 3.14Å; Y81-N178 VanDerWaalsContact OH-ND2 3.15Å; P174-N178 WeakPolarHBondContact O-CB 3.28Å; P174-N178 VanDerWaalsContact O-CG 3.26Å; P174-N178 PolarHBondContact O-N 3.31Å; P174-N178 VanDerWaalsContact O-N 3.11Å; P174-N178 PolarHBondContact O-ND2 2.86Å; H175-N178 PolarHBondContact O-N 2.78Å; D176-N178 PolarHBondContact O-N 3.02Å; N178-K181 PolarHBondContact O-N 3.42Å; N178-Q182 WeakPolarHBondContact O-CG 3.48Å; N178-Q182 PolarHBondContact O-N 3.42Å
179V90.5Very high89.9Confident1 Ų149.6 Ų49.61%0.00628%0.278CS..Hα-helixtrans-60.2-48.6172.2168.80000109.8F50 L78 Y81 L171 H175 D176 K181 Q182 I183F50-V179 HydrophobicContact CZ-CG1 4.27Å; L78-V179 HydrophobicContact CB-CG1 4.37Å; L78-V179 HydrophobicContact CD1-CG1 4.39Å; L78-V179 HydrophobicContact CD1-CG2 3.67Å; Y81-V179 HydrophobicContact CD1-CG2 3.45Å; Y81-V179 VanDerWaalsContact CD1-CG2 3.45Å; Y81-V179 HydrophobicContact CE1-CG2 4.13Å; Y81-V179 HydrophobicContact CG-CG2 4.18Å; L171-V179 HydrophobicContact CD1-CB 4.49Å; L171-V179 HydrophobicContact CD1-CG2 4.2Å; H175-V179 WeakPolarHBondContact O-CB 3.19Å; H175-V179 VanDerWaalsContact O-CG2 3.24Å; H175-V179 WeakPolarHBondContact O-CG2 3.25Å; H175-V179 PolarHBondContact O-N 3.13Å; D176-V179 PolarHBondContact O-N 3.27Å; V179-K181 PolarHBondContact O-N 3.23Å; V179-Q182 PolarHBondContact O-N 3.39Å; V179-Q182 VanDerWaalsContact O-N 3.08Å; V179-I183 HydrophobicContact CG1-CD1 3.94Å; V179-I183 HydrophobicContact CG1-CG1 4.36Å; V179-I183 WeakPolarHBondContact O-CG1 3.18Å; V179-I183 PolarHBondContact O-N 2.93Å
180L87.4Confident89.9Confident61 Ų6151.9 Ų51.932%0.31929%0.287SS..Hα-helixtrans-55.4-48.1177.4-80.2170.8000112.4F50 D176 V177 Q182 I183 E184F50-L180 HydrophobicContact CB-CD1 4.45Å; F50-L180 HydrophobicContact CB-CD2 4.45Å; F50-L180 HydrophobicContact CD2-CD2 3.31Å; F50-L180 HydrophobicContact CD2-CG 3.96Å; F50-L180 HydrophobicContact CE2-CD2 3.81Å; F50-L180 HydrophobicContact CE2-CG 4.38Å; F50-L180 HydrophobicContact CG-CD2 4.16Å; F50-L180 HydrophobicContact CG-CG 4.47Å; D176-L180 WeakPolarHBondContact O-CG 3.34Å; D176-L180 PolarHBondContact O-N 2.9Å; D176-L180 VanDerWaalsContact O-N 3.07Å; V177-L180 PolarHBondContact O-N 3.02Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 PolarHBondContact O-N 2.85Å; L180-I183 WeakPolarHBondContact O-CB 3.34Å; L180-I183 PolarHBondContact O-N 3.23Å; L180-I183 VanDerWaalsContact O-N 3.15Å; L180-E184 PolarHBondContact O-N 2.88Å; L180-E184 VanDerWaalsContact O-N 3.12Å
181K89.1Confident89.6Confident132 Ų13257.1 Ų57.157%0.57432%0.321SS*.Hα-helixtrans-58.9-39.1176.3-175.3178.9179.9-179.90112.4V177 N178 V179 E184 S185V177-K181 PolarHBondContact O-N 2.69Å; N178-K181 PolarHBondContact O-N 3.42Å; V179-K181 PolarHBondContact O-N 3.23Å; K181-E184 PolarHBondContact O-N 3.16Å; K181-S185 PolarHBondContact O-N 3.05Å; K181-S185 VanDerWaalsContact O-N 3.14Å; K181-S185 PolarHBondContact O-OG 3.04Å
182Q94Very high89.8Confident47 Ų4762.6 Ų62.622%0.2235%0.347CS..Hα-helixtrans-72.5-32.1177.7-71.6-66.2-20.700112.5G77 A80 Y81 N178 V179 L180 S185 N186G77-Q182 WeakPolarHBondContact O-CB 3.34Å; A80-Q182 HydrophobicContact CB-CB 4.44Å; Y81-Q182 HydrophobicContact CD2-CG 4.44Å; N178-Q182 WeakPolarHBondContact O-CG 3.48Å; N178-Q182 PolarHBondContact O-N 3.42Å; V179-Q182 PolarHBondContact O-N 3.39Å; V179-Q182 VanDerWaalsContact O-N 3.08Å; L180-Q182 VanDerWaalsContact C-N 3.28Å; L180-Q182 PolarHBondContact O-N 2.85Å; Q182-S185 PolarHBondContact O-N 3.45Å; Q182-N186 WeakPolarHBondContact O-CB 3.24Å; Q182-N186 PolarHBondContact O-N 2.94Å; Q182-N186 VanDerWaalsContact O-N 3.08Å; Q182-N186 PolarHBondContact O-ND2 2.92Å; Q182-N186 PolarHBondContact OE1-ND2 2.62Å
183I92.3Very high90.3Very high9 Ų961.5 Ų61.55%0.04634%0.34CS..Hα-helixtrans-61.7-47172.2-65.7170.9000110.1F50 V179 L180 S185 N186 L187F50-I183 HydrophobicContact CE2-CD1 3.82Å; F50-I183 HydrophobicContact CZ-CD1 4.4Å; V179-I183 HydrophobicContact CG1-CD1 3.94Å; V179-I183 HydrophobicContact CG1-CG1 4.36Å; V179-I183 WeakPolarHBondContact O-CG1 3.18Å; V179-I183 PolarHBondContact O-N 2.93Å; L180-I183 WeakPolarHBondContact O-CB 3.34Å; L180-I183 PolarHBondContact O-N 3.23Å; L180-I183 VanDerWaalsContact O-N 3.15Å; I183-S185 PolarHBondContact O-N 3.44Å; I183-N186 CarbonylContact O-C 3.57Å; I183-N186 PolarHBondContact O-N 3.38Å; I183-N186 VanDerWaalsContact O-N 3.1Å; I183-L187 WeakPolarHBondContact O-CD2 3.11Å
184E90.4Very high91Very high136 Ų13660.4 Ų60.464%0.63632%0.322SS*.Hα-helixtrans-61.6-31.2176.9-68.3-179.9166.800112.7L180 K181 L187L180-E184 PolarHBondContact O-N 2.88Å; L180-E184 VanDerWaalsContact O-N 3.12Å; K181-E184 PolarHBondContact O-N 3.16Å; E184-L187 WeakPolarHBondContact O-CG 3.46Å
185S92.4Very high91.5Very high83 Ų8360.7 Ų60.758%0.5832%0.319SS*.Hα-helixtrans-82.3-10.9177.9-54.40000113.6K181 Q182 I183K181-S185 PolarHBondContact O-N 3.05Å; K181-S185 VanDerWaalsContact O-N 3.14Å; K181-S185 PolarHBondContact O-OG 3.04Å; Q182-S185 PolarHBondContact O-N 3.45Å; I183-S185 PolarHBondContact O-N 3.44Å
186N93.4Very high91.8Very high30 Ų3060.2 Ų60.216%0.1632%0.319CS..THydrogen-bonded Turntrans-127.242.5-174.2-71-90.6000112.2Q76 Q182 I183Q76-N186 HydrophobicContact CB-CB 4.03Å; Q76-N186 PolarHBondContact NE2-O 3.44Å; Q182-N186 WeakPolarHBondContact O-CB 3.24Å; Q182-N186 PolarHBondContact O-N 2.94Å; Q182-N186 VanDerWaalsContact O-N 3.08Å; Q182-N186 PolarHBondContact O-ND2 2.92Å; Q182-N186 PolarHBondContact OE1-ND2 2.62Å; I183-N186 CarbonylContact O-C 3.57Å; I183-N186 PolarHBondContact O-N 3.38Å; I183-N186 VanDerWaalsContact O-N 3.1Å
187L93.9Very high92.4Very high46 Ų4661.3 Ų61.324%0.24133%0.329CS..  trans-73.4-31.5-178.1-66.1177.8000113.9W18 Q73 I183 E184 P189W18-L187 HydrophobicContact CH2-CB 3.81Å; W18-L187 HydrophobicContact CH2-CD1 4.46Å; W18-L187 HydrophobicContact CZ2-CB 4.43Å; W18-L187 HydrophobicContact CZ3-CB 4.07Å; Q73-L187 VanDerWaalsContact CG-O 3.3Å; Q73-L187 WeakPolarHBondContact CG-O 3.39Å; Q73-L187 PolarHBondContact NE2-O 2.87Å; I183-L187 WeakPolarHBondContact O-CD2 3.11Å; E184-L187 WeakPolarHBondContact O-CG 3.46Å; L187-P189 VanDerWaalsContact O-CD 3.27Å; L187-P189 WeakPolarHBondContact O-CD 3Å
188T95.8Very high93Very high86 Ų8658 Ų5853%0.52831%0.309SS..SBendtrans-70.6122174.5-53.60000109.4Q76 W190Q76-T188 PolarHBondContact NE2-O 3.07Å; T188-W190 PolarHBondContact O-N 3.4Å
189P95.7Very high93.4Very high11 Ų1156.6 Ų56.67%0.07130%0.301CS..PPolyproline II helixtrans-62.1134.6177.7-2536.9000111.6W18 L69 Q76 L187 W194W18-P189 HydrophobicContact CB-CG 3.95Å; W18-P189 HydrophobicContact CG-CG 4.46Å; L69-P189 HydrophobicContact CD1-CB 4.49Å; L69-P189 HydrophobicContact CD1-CG 3.24Å; Q76-P189 VanDerWaalsContact OE1-CA 3.31Å; L187-P189 VanDerWaalsContact O-CD 3.27Å; L187-P189 WeakPolarHBondContact O-CD 3Å; P189-W194 HydrophobicContact CB-CZ2 4.28Å; P189-W194 HydrophobicContact CG-CZ2 4.16Å
190W94.7Very high93.6Very high48 Ų4865 Ų6518%0.18234%0.34CS..PPolyproline II helixtrans-67123.4173.3-61.8-12.3000108.6Q76 C79 V114 K118 T188 Q192 C193Q76-W190 HydrophobicContact CB-CH2 4.32Å; Q76-W190 HydrophobicContact CB-CZ2 4.08Å; Q76-W190 HydrophobicContact CG-CD2 3.78Å; Q76-W190 HydrophobicContact CG-CE3 3.95Å; Q76-W190 HydrophobicContact CG-CG 4.23Å; Q76-W190 HydrophobicContact CG-CH2 4.27Å; Q76-W190 HydrophobicContact CG-CZ2 4.13Å; Q76-W190 HydrophobicContact CG-CZ3 4.17Å; C79-W190 HydrophobicContact CB-CH2 4.27Å; V114-W190 HydrophobicContact CG1-CE3 4.09Å; V114-W190 HydrophobicContact CG1-CH2 4.41Å; V114-W190 HydrophobicContact CG1-CZ3 3.63Å; K118-W190 HydrophobicContact CD-CE3 4.43Å; K118-W190 HydrophobicContact CD-CH2 4.2Å; K118-W190 HydrophobicContact CD-CZ3 3.87Å; K118-W190 VanDerWaalsContact CE-CE3 3.45Å; K118-W190 HydrophobicContact CG-CE3 4.22Å; K118-W190 HydrophobicContact CG-CH2 3.95Å; K118-W190 HydrophobicContact CG-CZ3 3.41Å; K118-W190 VanDerWaalsContact CG-CZ3 3.41Å; T188-W190 PolarHBondContact O-N 3.4Å; W190-Q192 PolarHBondContact O-N 3.29Å; W190-C193 HydrophobicContact CB-CB 4.48Å; W190-C193 WeakPolarHBondContact O-CB 3.33Å; W190-C193 PolarHBondContact O-N 3.28Å
191P88.1Confident94Very high117 Ų11767.2 Ų67.276%0.7636%0.356SS*.G310 helixtrans-53.1-36.4-166.2-3134.9000115.3C193P191-C193 VanDerWaalsContact C-N 3.27Å; P191-C193 PolarHBondContact O-N 3.46Å
192Q91.4Very high94.3Very high126 Ų12662.3 Ų62.359%0.58934%0.338SS*.G310 helixtrans-77.1-5.6-177.1-60-80.416.300114.1R117 W190R117-Q192 HydrophobicContact CG-CB 4.28Å; R117-Q192 PolarHBondContact NE-O 2.79Å; R117-Q192 PolarHBondContact NH2-O 3.17Å; W190-Q192 PolarHBondContact O-N 3.29Å
193C94.9Very high94.4Very high1 Ų165.3 Ų65.31%0.00737%0.365CS..G310 helixtrans-92.1-6.5-171.2-62.70000114.7L72 T113 V114 W190 P191L72-C193 HydrophobicContact CD2-CB 3.77Å; L72-C193 WeakPolarHBondContact CD2-O 3.46Å; T113-C193 HydrophobicContact CG2-CB 4.49Å; V114-C193 HydrophobicContact CG2-CB 3.89Å; W190-C193 HydrophobicContact CB-CB 4.48Å; W190-C193 WeakPolarHBondContact O-CB 3.33Å; W190-C193 PolarHBondContact O-N 3.28Å; P191-C193 VanDerWaalsContact C-N 3.27Å; P191-C193 PolarHBondContact O-N 3.46Å
194W95Very high94.7Very high42 Ų4267.7 Ų67.716%0.15938%0.377CS..SBendtrans-77.5-26.8174.6-71.795.9000113.3W18 D19 K20 N21 D68 L69 L72 P189W18-W194 WeakPolarHBondContact O-CZ2 3.25Å; D19-W194 WeakPolarHBondContact OD1-CH2 3.37Å; K20-W194 HydrophobicContact CB-CD2 3.66Å; K20-W194 HydrophobicContact CB-CE3 3.74Å; K20-W194 HydrophobicContact CB-CG 4.2Å; K20-W194 HydrophobicContact CB-CH2 4.18Å; K20-W194 HydrophobicContact CB-CZ2 4.11Å; K20-W194 HydrophobicContact CB-CZ3 3.99Å; K20-W194 HydrophobicContact CG-CD2 3.78Å; K20-W194 HydrophobicContact CG-CE3 4.36Å; K20-W194 HydrophobicContact CG-CG 4.07Å; K20-W194 HydrophobicContact CG-CZ2 3.96Å; N21-W194 HydrophobicContact CB-CZ3 4.42Å; D68-W194 HydrophobicContact CB-CH2 4.27Å; D68-W194 HydrophobicContact CB-CZ3 3.78Å; L69-W194 HydrophobicContact CB-CH2 4.24Å; L69-W194 HydrophobicContact CD1-CZ2 4.18Å; L72-W194 HydrophobicContact CD1-CD2 3.67Å; L72-W194 HydrophobicContact CD1-CE3 3.88Å; L72-W194 HydrophobicContact CD1-CG 4.29Å; L72-W194 HydrophobicContact CD1-CH2 3.87Å; L72-W194 HydrophobicContact CD1-CZ2 3.64Å; L72-W194 HydrophobicContact CD1-CZ3 3.99Å; P189-W194 HydrophobicContact CB-CZ2 4.28Å; P189-W194 HydrophobicContact CG-CZ2 4.16Å
195D95.3Very high95.1Very high82 Ų8262.4 Ų62.444%0.43936%0.355SS..  trans-91.8110.5178.217319.6000110.7T113 R117 S197T113-D195 VanDerWaalsContact CG2-O 3.25Å; T113-D195 WeakPolarHBondContact CG2-O 3.29Å; R117-D195 IonicContact NH2-OD2 3.77Å; D195-S197 VanDerWaalsContact C-N 3.33Å; D195-S197 WeakPolarHBondContact OD1-CB 3.48Å; D195-S197 PolarHBondContact OD1-N 2.77Å; D195-S197 PolarHBondContact OD1-OG 3.28Å; D195-S197 PolarHBondContact OD2-OG 2.58Å
196T96.7Very high95.3Very high33 Ų3362.2 Ų62.220%0.20235%0.347CS..THydrogen-bonded Turntrans-85.81.4-17761.60000114.1E109 L110 T113 I198 L199E109-T196 HydrophobicContact CB-CG2 3.88Å; L110-T196 HydrophobicContact CD2-CG2 3.89Å; L110-T196 HydrophobicContact CG-CG2 4.23Å; T113-T196 WeakPolarHBondContact OG1-CA 3.14Å; T196-I198 PolarHBondContact O-N 3.46Å; T196-L199 PolarHBondContact O-N 3.44Å; T196-L199 VanDerWaalsContact O-N 3.13Å
197S96.9Very high95.6Very high52 Ų5264.8 Ų64.836%0.36436%0.361SS..THydrogen-bonded Turntrans-57.2-24.8-179.767.20000113.9D195 L199 Q200 T201D195-S197 VanDerWaalsContact C-N 3.33Å; D195-S197 WeakPolarHBondContact OD1-CB 3.48Å; D195-S197 PolarHBondContact OD1-N 2.77Å; D195-S197 PolarHBondContact OD1-OG 3.28Å; D195-S197 PolarHBondContact OD2-OG 2.58Å; S197-L199 PolarHBondContact O-N 3.22Å; S197-Q200 PolarHBondContact O-N 3.01Å; S197-Q200 VanDerWaalsContact O-N 3.13Å; S197-T201 PolarHBondContact O-OG1 3.38Å
198I97.2Very high95.7Very high22 Ų2262.7 Ų62.711%0.11335%0.35CS..Hα-helixtrans-60.5-26.2178.2-166.9167.1000113.4T113 L116 R117 T196 Q200 T201 S202T113-I198 HydrophobicContact CG2-CG2 3.79Å; L116-I198 HydrophobicContact CB-CD1 3.98Å; L116-I198 HydrophobicContact CB-CG1 4.21Å; L116-I198 HydrophobicContact CB-CG2 4.21Å; L116-I198 HydrophobicContact CD1-CG1 4.43Å; L116-I198 HydrophobicContact CD1-CG2 4.07Å; R117-I198 HydrophobicContact CG-CD1 4.4Å; T196-I198 PolarHBondContact O-N 3.46Å; I198-Q200 PolarHBondContact O-N 3.08Å; I198-T201 WeakPolarHBondContact CA-OG1 3.39Å; I198-T201 PolarHBondContact O-N 2.89Å; I198-S202 WeakPolarHBondContact O-CB 3.25Å; I198-S202 PolarHBondContact O-N 3.43Å
199L96.6Very high95.8Very high23 Ų2359.8 Ų59.812%0.1233%0.331CS..Hα-helixtrans-63-28.5177.1-72.3161.7000112.9E109 L116 F124 T196 S197 C205E109-L199 VanDerWaalsContact CA-CD1 3.49Å; E109-L199 HydrophobicContact CB-CD1 3.53Å; E109-L199 HydrophobicContact CG-CD1 3.69Å; E109-L199 WeakPolarHBondContact O-CD1 3.43Å; L116-L199 HydrophobicContact CD1-CD2 3.69Å; L116-L199 HydrophobicContact CD1-CG 4.17Å; F124-L199 HydrophobicContact CD2-CD2 3.97Å; F124-L199 HydrophobicContact CE2-CD2 4.42Å; F124-L199 HydrophobicContact CG-CD2 4.26Å; T196-L199 PolarHBondContact O-N 3.44Å; T196-L199 VanDerWaalsContact O-N 3.13Å; S197-L199 PolarHBondContact O-N 3.22Å; L199-C205 PolarHBondContact O-SG 2.9Å
200Q95Very high95.9Very high177 Ų17768 Ų6883%0.82737%0.366SS*.Hα-helixtrans-90.6-19.7-179.8-63.3-179.2-6.100112.8S197 I198S197-Q200 PolarHBondContact O-N 3.01Å; S197-Q200 VanDerWaalsContact O-N 3.13Å; I198-Q200 PolarHBondContact O-N 3.08Å
201T95.3Very high96Very high109 Ų10971 Ų7167%0.66938%0.382SS*.Hα-helixtrans-110.5-23.3-170.655.50000113.7S197 I198S197-T201 PolarHBondContact O-OG1 3.38Å; I198-T201 WeakPolarHBondContact CA-OG1 3.39Å; I198-T201 PolarHBondContact O-N 2.89Å
202S96.2Very high96.5Very high28 Ų2865.5 Ų65.520%0.19635%0.346CS..  trans-80.2128.9-178.2-177.20000112.3I198 L204 C205I198-S202 WeakPolarHBondContact O-CB 3.25Å; I198-S202 PolarHBondContact O-N 3.43Å; S202-L204 PolarHBondContact O-N 2.91Å; S202-L204 WeakPolarHBondContact OG-CB 3.21Å; S202-L204 PolarHBondContact OG-N 3.1Å; S202-C205 PolarHBondContact O-N 3.43Å; S202-C205 VanDerWaalsContact O-N 3.15Å
203S96.2Very high96.8Very high111 Ų11160.6 Ų60.678%0.77633%0.326SS*.THydrogen-bonded Turntrans-67.2-12.3170.656.50000113.7C205S203-C205 VanDerWaalsContact C-N 3.31Å
204L97.7Very high96.9Very high58 Ų5863.3 Ų63.330%0.30435%0.348SS..THydrogen-bonded Turntrans-82.6-7.9174.2-63.8177.4000113L116 V122 S202L116-L204 HydrophobicContact CD2-CB 3.71Å; V122-L204 PolarHBondContact N-O 3.33Å; S202-L204 PolarHBondContact O-N 2.91Å; S202-L204 WeakPolarHBondContact OG-CB 3.21Å; S202-L204 PolarHBondContact OG-N 3.1Å
205C98.4Very high97Very high26 Ų2664.6 Ų64.618%0.17636%0.356CS..EExtended strand (participates in β ladder)trans-97.3115.4176.4-166.80000110.1L116 V122 L199 S202 S203L116-C205 HydrophobicContact CD1-CB 3.93Å; L116-C205 HydrophobicContact CD2-CB 4.13Å; V122-C205 CarbonylContact O-C 3.33Å; V122-C205 WeakPolarHBondContact O-CA 3.07Å; L199-C205 PolarHBondContact O-SG 2.9Å; S202-C205 PolarHBondContact O-N 3.43Å; S202-C205 VanDerWaalsContact O-N 3.15Å; S203-C205 VanDerWaalsContact C-N 3.31Å
206L98Very high97.1Very high78 Ų7861 Ų6141%0.40834%0.336SS..EExtended strand (participates in β ladder)trans-120142.2-177.4-57.9176000110K121 V122 Y123 F124 P208K121-L206 HydrophobicContact CD-CD1 4.42Å; V122-L206 PolarHBondContact O-N 3.03Å; Y123-L206 CarbonylContact C-O 3.6Å; Y123-L206 WeakPolarHBondContact CA-O 3.37Å; Y123-L206 HydrophobicContact CD1-CB 4.01Å; Y123-L206 HydrophobicContact CD1-CD1 4.36Å; Y123-L206 HydrophobicContact CE1-CB 4.27Å; Y123-L206 HydrophobicContact CE1-CD1 3.8Å; F124-L206 PolarHBondContact N-O 3.13Å; L206-P208 VanDerWaalsContact O-CD 3.29Å; L206-P208 WeakPolarHBondContact O-CD 3.4Å
207D98Very high97.2Very high85 Ų8561.1 Ų61.146%0.45534%0.335SS..  trans-91.1109.4173-179.914000110.6S126 L209S126-D207 WeakPolarHBondContact CB-OD2 3.47Å; S126-D207 PolarHBondContact N-OD1 3.42Å; S126-D207 VanDerWaalsContact OG-CG 3.25Å; S126-D207 PolarHBondContact OG-OD1 3.49Å; S126-D207 PolarHBondContact OG-OD2 2.55Å; D207-L209 VanDerWaalsContact C-N 3.31Å; D207-L209 PolarHBondContact O-N 2.68Å; D207-L209 WeakPolarHBondContact OD1-CB 3.28Å; D207-L209 PolarHBondContact OD1-N 2.93Å
208P97.7Very high97.1Very high1 Ų162.1 Ų62.11%0.00634%0.339CS..  trans-81.4-7.1-178.135.4-37.4000113.6Y123 F124 F125 Y141 L206 K210 E211 V212Y123-P208 HydrophobicContact CD1-CB 4.28Å; F124-P208 VanDerWaalsContact O-CD 3.32Å; F124-P208 WeakPolarHBondContact O-CD 3.25Å; F125-P208 HydrophobicContact CD1-CG 3.71Å; F125-P208 HydrophobicContact CD2-CG 4.08Å; F125-P208 HydrophobicContact CE1-CB 4.33Å; F125-P208 HydrophobicContact CE1-CG 3.71Å; F125-P208 HydrophobicContact CE2-CG 4.07Å; F125-P208 HydrophobicContact CG-CG 3.92Å; F125-P208 HydrophobicContact CZ-CB 4.5Å; F125-P208 HydrophobicContact CZ-CG 3.89Å; Y141-P208 HydrophobicContact CE2-CB 3.64Å; L206-P208 VanDerWaalsContact O-CD 3.29Å; L206-P208 WeakPolarHBondContact O-CD 3.4Å; P208-K210 PolarHBondContact O-N 2.93Å; P208-E211 PolarHBondContact O-N 2.83Å; P208-V212 HydrophobicContact CB-CG2 3.75Å; P208-V212 WeakPolarHBondContact O-CB 3.13Å; P208-V212 WeakPolarHBondContact O-CG2 3.48Å; P208-V212 PolarHBondContact O-N 3.27Å
209L97.9Very high97Very high25 Ų2563.9 Ų63.913%0.13135%0.348CS..Hα-helixtrans-52.8-53.4-161.5-178.964.5000113.9F125 K127 V129 D207 C213F125-L209 HydrophobicContact CD1-CB 4.05Å; F125-L209 HydrophobicContact CD1-CD1 3.86Å; F125-L209 HydrophobicContact CE1-CD1 4.29Å; K127-L209 HydrophobicContact CB-CD2 4.09Å; K127-L209 HydrophobicContact CD-CD2 4.3Å; K127-L209 HydrophobicContact CG-CD2 4.18Å; V129-L209 HydrophobicContact CG1-CD1 3.93Å; D207-L209 VanDerWaalsContact C-N 3.31Å; D207-L209 PolarHBondContact O-N 2.68Å; D207-L209 WeakPolarHBondContact OD1-CB 3.28Å; D207-L209 PolarHBondContact OD1-N 2.93Å; L209-C213 WeakPolarHBondContact O-CB 3.48Å; L209-C213 PolarHBondContact O-N 2.86Å; L209-C213 PolarHBondContact O-SG 3.45Å
210K97Very high96.9Very high185 Ų18562.8 Ų62.880%0.80434%0.343SS*.Hα-helixtrans-67-48.1-174.1-69.4-177.6-179.6176.50112.6P208 A214P208-K210 PolarHBondContact O-N 2.93Å; K210-A214 WeakPolarHBondContact O-CB 3.13Å; K210-A214 PolarHBondContact O-N 3.01Å; K210-A214 VanDerWaalsContact O-N 3.11Å
211E97.4Very high96.7Very high111 Ų11155.5 Ų55.552%0.51931%0.312SS..Hα-helixtrans-66-49.4-176.8-176.9-177.1-175.700110.8F140 Y141 P208 C213 A214 Q215F140-E211 HydrophobicContact CE1-CG 4.03Å; F140-E211 HydrophobicContact CZ-CG 4.15Å; Y141-E211 VanDerWaalsContact OH-CD 3.31Å; Y141-E211 PolarHBondContact OH-OE2 3.47Å; P208-E211 PolarHBondContact O-N 2.83Å; E211-C213 PolarHBondContact O-N 2.78Å; E211-A214 PolarHBondContact O-N 3.45Å; E211-Q215 PolarHBondContact O-N 3.04Å
212V97.8Very high96.3Very high0 Ų054.9 Ų54.90%031%0.308CS..Hα-helixtrans-64.6-43.8-179175.90000111F125 L133 Y136 A137 F140 Y141 P208 A214 Q215 Y216F125-V212 HydrophobicContact CE1-CB 4.44Å; F125-V212 HydrophobicContact CZ-CB 4.49Å; F125-V212 HydrophobicContact CZ-CG1 4.22Å; L133-V212 HydrophobicContact CD1-CG1 3.82Å; L133-V212 HydrophobicContact CG-CG1 4.07Å; Y136-V212 HydrophobicContact CD1-CG1 3.66Å; Y136-V212 HydrophobicContact CE1-CG1 3.87Å; A137-V212 HydrophobicContact CB-CG1 3.92Å; A137-V212 HydrophobicContact CB-CG2 4.2Å; F140-V212 HydrophobicContact CD1-CG2 4.03Å; F140-V212 HydrophobicContact CE1-CG2 4.41Å; Y141-V212 HydrophobicContact CD2-CG2 4.27Å; Y141-V212 HydrophobicContact CE2-CG2 3.41Å; Y141-V212 VanDerWaalsContact CE2-CG2 3.41Å; P208-V212 HydrophobicContact CB-CG2 3.75Å; P208-V212 WeakPolarHBondContact O-CB 3.13Å; P208-V212 WeakPolarHBondContact O-CG2 3.48Å; P208-V212 PolarHBondContact O-N 3.27Å; V212-A214 PolarHBondContact O-N 2.72Å; V212-Q215 PolarHBondContact O-N 3.12Å; V212-Y216 WeakPolarHBondContact O-CB 3.36Å; V212-Y216 PolarHBondContact O-N 3.34Å
213C97.3Very high96.1Very high24 Ų2455 Ų5516%0.16230%0.304CS..Hα-helixtrans-61.3-44.6177.7-71.90000112L209 E211 Y216 L217L209-C213 WeakPolarHBondContact O-CB 3.48Å; L209-C213 PolarHBondContact O-N 2.86Å; L209-C213 PolarHBondContact O-SG 3.45Å; E211-C213 PolarHBondContact O-N 2.78Å; C213-Y216 PolarHBondContact O-N 2.94Å; C213-L217 VanDerWaalsContact O-CG 3.28Å; C213-L217 WeakPolarHBondContact O-CG 3.46Å; C213-L217 PolarHBondContact O-N 3.23Å
214A97.3Very high95.9Very high57 Ų5750.5 Ų50.547%0.47127%0.273SS..Hα-helixtrans-60.8-47.7179.900000111.3K210 E211 V212 L217 V218K210-A214 WeakPolarHBondContact O-CB 3.13Å; K210-A214 PolarHBondContact O-N 3.01Å; K210-A214 VanDerWaalsContact O-N 3.11Å; E211-A214 PolarHBondContact O-N 3.45Å; V212-A214 PolarHBondContact O-N 2.72Å; A214-L217 PolarHBondContact O-N 3.27Å; A214-V218 WeakPolarHBondContact O-CG2 3.33Å; A214-V218 PolarHBondContact O-N 2.64Å
215Q97.5Very high95.6Very high70 Ų7049.8 Ų49.833%0.32727%0.268SS..Hα-helixtrans-68.8-40.1179.1-166.66641.800112.2Y136 F140 E211 V212 L217 V218 D219Y136-Q215 WeakPolarHBondContact OH-CB 3.4Å; Y136-Q215 WeakPolarHBondContact OH-CG 3.39Å; F140-Q215 HydrophobicContact CD2-CG 4.17Å; F140-Q215 HydrophobicContact CE2-CB 4.03Å; F140-Q215 HydrophobicContact CE2-CG 3.72Å; F140-Q215 HydrophobicContact CZ-CB 4.42Å; E211-Q215 PolarHBondContact O-N 3.04Å; V212-Q215 PolarHBondContact O-N 3.12Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 3.38Å; Q215-V218 PolarHBondContact O-N 2.86Å; Q215-D219 PolarHBondContact NE2-OD1 2.87Å; Q215-D219 PolarHBondContact O-N 3.36Å
216Y97.9Very high95.3Very high6 Ų651 Ų512%0.02427%0.271CS..Hα-helixtrans-57.2-41176.5172.7-99.2000112.5L133 Y136 V212 C213 N220 M253 S426 D430 V432 V433L133-Y216 HydrophobicContact CD1-CD1 3.9Å; L133-Y216 HydrophobicContact CD1-CD2 3.9Å; L133-Y216 HydrophobicContact CD1-CE1 4.43Å; L133-Y216 HydrophobicContact CD1-CE2 4.44Å; L133-Y216 HydrophobicContact CD1-CG 3.59Å; Y136-Y216 AromaticContact CD1-CD2 3.93Å; Y136-Y216 HydrophobicContact CD1-CD2 3.93Å; Y136-Y216 HydrophobicContact CD1-CG 4.39Å; Y136-Y216 HydrophobicContact CD2-CD2 4.17Å; Y136-Y216 HydrophobicContact CE1-CD2 4.41Å; Y136-Y216 AromaticContact CG-CD2 3.81Å; Y136-Y216 HydrophobicContact CG-CD2 3.81Å; V212-Y216 WeakPolarHBondContact O-CB 3.36Å; V212-Y216 PolarHBondContact O-N 3.34Å; C213-Y216 PolarHBondContact O-N 2.94Å; Y216-N220 WeakPolarHBondContact CD2-ND2 2.99Å; Y216-N220 WeakPolarHBondContact CE2-ND2 3.5Å; Y216-N220 WeakPolarHBondContact O-CB 3.39Å; Y216-N220 PolarHBondContact O-N 3.41Å; Y216-N220 PolarHBondContact O-ND2 3.43Å; Y216-M253 HydrophobicContact CD1-CE 3.72Å; Y216-M253 HydrophobicContact CE1-CE 3.29Å; Y216-S426 WeakPolarHBondContact CE2-OG 3.42Å; Y216-D430 WeakPolarHBondContact CE2-OD2 3.48Å; Y216-D430 PolarHBondContact OH-OD1 3.44Å; Y216-D430 PolarHBondContact OH-OD2 3.43Å; Y216-V432 HydrophobicContact CE1-CG1 4.33Å; Y216-V433 HydrophobicContact CE2-CG2 4.43Å; Y216-V433 WeakPolarHBondContact OH-CG2 3.46Å
217L97.2Very high95Very high36 Ų3651 Ų5119%0.18827%0.265CS..Hα-helixtrans-64.1-42.7173.8-70.3173.7000111.7C213 A214 Q215 S221 P252 M253 Q256C213-L217 VanDerWaalsContact O-CG 3.28Å; C213-L217 WeakPolarHBondContact O-CG 3.46Å; C213-L217 PolarHBondContact O-N 3.23Å; A214-L217 PolarHBondContact O-N 3.27Å; Q215-L217 VanDerWaalsContact C-N 3.29Å; Q215-L217 PolarHBondContact O-N 3.38Å; L217-S221 WeakPolarHBondContact O-CB 3.37Å; L217-S221 PolarHBondContact O-N 2.96Å; L217-S221 VanDerWaalsContact O-N 3.14Å; L217-P252 HydrophobicContact CD1-CB 4.02Å; L217-P252 HydrophobicContact CD2-CB 4.11Å; L217-M253 HydrophobicContact CD2-CB 4.03Å; L217-M253 HydrophobicContact CD2-CE 3.72Å; L217-M253 HydrophobicContact CD2-SD 3.87Å; L217-Q256 HydrophobicContact CB-CG 4.1Å; L217-Q256 HydrophobicContact CD2-CB 4.32Å; L217-Q256 WeakPolarHBondContact O-CG 3.47Å
218V96Very high94.8Very high72 Ų7252.2 Ų52.244%0.43627%0.272SS..Hα-helixtrans-65.2-51.4179.8171.80000111.2A214 Q215 N220 S221A214-V218 WeakPolarHBondContact O-CG2 3.33Å; A214-V218 PolarHBondContact O-N 2.64Å; Q215-V218 PolarHBondContact O-N 2.86Å; V218-N220 VanDerWaalsContact C-N 3.33Å; V218-N220 PolarHBondContact O-N 3.03Å; V218-S221 WeakPolarHBondContact O-CB 3.42Å; V218-S221 PolarHBondContact O-N 3.1Å; V218-S221 VanDerWaalsContact O-N 3.13Å; V218-S221 PolarHBondContact O-OG 2.84Å
219D94.3Very high94.6Very high59 Ų5953.2 Ų53.232%0.31628%0.28SS..Hα-helixtrans-62.9-41-175.1-753.7000111.7Y136 Q215 S221 T222 A425Y136-D219 PolarHBondContact OH-OD2 3.31Å; Q215-D219 PolarHBondContact NE2-OD1 2.87Å; Q215-D219 PolarHBondContact O-N 3.36Å; D219-S221 VanDerWaalsContact C-N 3.33Å; D219-S221 PolarHBondContact O-N 2.76Å; D219-T222 WeakPolarHBondContact O-CG2 3.32Å; D219-T222 PolarHBondContact O-OG1 2.86Å; D219-A425 HydrophobicContact CB-CB 4.24Å
220N95.2Very high94.4Very high0 Ų052 Ų520%027%0.274CS..Hα-helixtrans-80.4-11.6179.3-66.8-61.4000113.7Y216 V218 T222 F223 M253 F257 G424 A425 V433Y216-N220 WeakPolarHBondContact CD2-ND2 2.99Å; Y216-N220 WeakPolarHBondContact CE2-ND2 3.5Å; Y216-N220 WeakPolarHBondContact O-CB 3.39Å; Y216-N220 PolarHBondContact O-N 3.41Å; Y216-N220 PolarHBondContact O-ND2 3.43Å; V218-N220 VanDerWaalsContact C-N 3.33Å; V218-N220 PolarHBondContact O-N 3.03Å; N220-T222 PolarHBondContact O-N 2.92Å; N220-T222 VanDerWaalsContact O-N 3.09Å; N220-F223 PolarHBondContact O-N 3.06Å; N220-F223 VanDerWaalsContact O-N 3.14Å; N220-M253 HydrophobicContact CB-CE 3.91Å; N220-M253 HydrophobicContact CB-SD 4.22Å; N220-F257 WeakPolarHBondContact O-CE2 3.3Å; N220-F257 WeakPolarHBondContact O-CZ 3.04Å; N220-G424 WeakPolarHBondContact OD1-CA 3.28Å; N220-A425 PolarHBondContact OD1-N 3.24Å; N220-V433 HydrophobicContact CB-CG1 4.19Å; N220-V433 HydrophobicContact CB-CG2 3.74Å; N220-V433 VanDerWaalsContact CG-CG2 3.48Å
221S91.5Very high94.2Very high25 Ų2549 Ų4918%0.17526%0.261CS..G310 helixtrans-63.7-14.7174.177.50000113.6L217 V218 D219 F223 C224L217-S221 WeakPolarHBondContact O-CB 3.37Å; L217-S221 PolarHBondContact O-N 2.96Å; L217-S221 VanDerWaalsContact O-N 3.14Å; V218-S221 WeakPolarHBondContact O-CB 3.42Å; V218-S221 PolarHBondContact O-N 3.1Å; V218-S221 VanDerWaalsContact O-N 3.13Å; V218-S221 PolarHBondContact O-OG 2.84Å; D219-S221 VanDerWaalsContact C-N 3.33Å; D219-S221 PolarHBondContact O-N 2.76Å; S221-F223 PolarHBondContact O-N 3.46Å; S221-C224 VanDerWaalsContact O-CB 3.26Å; S221-C224 WeakPolarHBondContact O-CB 3.39Å; S221-C224 PolarHBondContact O-N 2.93Å; S221-C224 VanDerWaalsContact O-N 3.17Å
222T86.9Confident94Very high96 Ų9648.2 Ų48.259%0.58927%0.268SS*.G310 helixtrans-66.2-16174.159.50000113.9D219 N220D219-T222 WeakPolarHBondContact O-CG2 3.32Å; D219-T222 PolarHBondContact O-OG1 2.86Å; N220-T222 PolarHBondContact O-N 2.92Å; N220-T222 VanDerWaalsContact O-N 3.09Å
223F90.5Very high93.6Very high29 Ų2948.7 Ų48.713%0.12727%0.271CS..G310 helixtrans-92.12.2175.2-64.6-93.7000113.2N220 S221 F225 F257 L344 P423 G424 V437N220-F223 PolarHBondContact O-N 3.06Å; N220-F223 VanDerWaalsContact O-N 3.14Å; S221-F223 PolarHBondContact O-N 3.46Å; F223-F225 WeakPolarHBondContact O-CE2 3.31Å; F223-F257 HydrophobicContact CB-CZ 4.11Å; F223-L344 HydrophobicContact CD1-CD2 3.98Å; F223-P423 HydrophobicContact CD1-CB 4.47Å; F223-G424 VanDerWaalsContact CE2-CA 3.47Å; F223-V437 HydrophobicContact CB-CG2 3.9Å
224C92.8Very high93.1Very high17 Ų1751.6 Ų51.612%0.11530%0.297CS..  trans-88.4114172.6-178.50000109.8S221 F257S221-C224 VanDerWaalsContact O-CB 3.26Å; S221-C224 WeakPolarHBondContact O-CB 3.39Å; S221-C224 PolarHBondContact O-N 2.93Å; S221-C224 VanDerWaalsContact O-N 3.17Å; C224-F257 HydrophobicContact CB-CB 4.28Å; C224-F257 HydrophobicContact CB-CD1 3.53Å; C224-F257 HydrophobicContact CB-CD2 4.02Å; C224-F257 HydrophobicContact CB-CE1 3.75Å; C224-F257 HydrophobicContact CB-CE2 4.21Å; C224-F257 HydrophobicContact CB-CG 3.67Å; C224-F257 HydrophobicContact CB-CZ 4.08Å; C224-F257 PolarHBondContact SG-O 2.8Å
225F91.1Very high92.7Very high44 Ų4449.8 Ų49.819%0.19328%0.281CS..SBendtrans-103.4-27.3-175.8-55.3-61000113.2F223 W343 L344 N347 I351 D440F223-F225 WeakPolarHBondContact O-CE2 3.31Å; F225-W343 HydrophobicContact CD2-CZ2 4.36Å; F225-W343 AromaticContact CD2-NE1 3.83Å; F225-L344 HydrophobicContact CE2-CD2 3.93Å; F225-L344 HydrophobicContact CZ-CD2 4.3Å; F225-N347 HydrophobicContact CB-CB 4.11Å; F225-N347 WeakPolarHBondContact CB-OD1 3.31Å; F225-N347 HydrophobicContact CD1-CB 3.73Å; F225-N347 HydrophobicContact CD2-CB 3.32Å; F225-N347 HydrophobicContact CE1-CB 3.85Å; F225-N347 HydrophobicContact CE2-CB 3.47Å; F225-N347 VanDerWaalsContact CE2-CB 3.47Å; F225-N347 HydrophobicContact CG-CB 3.43Å; F225-N347 VanDerWaalsContact CG-CB 3.43Å; F225-N347 HydrophobicContact CZ-CB 3.72Å; F225-I351 HydrophobicContact CD1-CD1 3.34Å; F225-I351 HydrophobicContact CE1-CD1 3.63Å; F225-I351 HydrophobicContact CG-CD1 4.49Å; F225-D440 PolarHBondContact N-OD2 3.47Å
226H91.9Very high92.5Very high51 Ų5150.5 Ų50.524%0.23628%0.283CS..  trans-120.143.7-175.1-58.783.7000112.8D228 A229 N230 W343 N347 D440 F444H226-D228 VanDerWaalsContact C-N 3.29Å; H226-D228 PolarHBondContact O-N 3.1Å; H226-D228 VanDerWaalsContact O-N 3.12Å; H226-A229 HydrophobicContact CB-CB 3.99Å; H226-A229 WeakPolarHBondContact O-CA 3.39Å; H226-A229 WeakPolarHBondContact O-CB 3.16Å; H226-A229 PolarHBondContact O-N 3.19Å; H226-N230 VanDerWaalsContact O-CG 3.3Å; H226-N230 PolarHBondContact O-N 2.68Å; H226-N230 PolarHBondContact O-ND2 2.94Å; H226-W343 AromaticContact CE1-CH2 3.25Å; H226-W343 WeakPolarHBondContact CE1-CH2 3.41Å; H226-W343 AromaticContact CE1-CZ2 3.79Å; H226-W343 AromaticContact ND1-CH2 3.37Å; H226-W343 WeakPolarHBondContact ND1-CH2 3.5Å; H226-W343 AromaticContact ND1-CZ2 3.52Å; H226-N347 PolarHBondContact CE1-OD1 2.98Å; H226-D440 WeakPolarHBondContact CA-OD1 3.35Å; H226-D440 WeakPolarHBondContact CB-OD1 3.29Å; H226-D440 PolarHBondContact N-OD1 2.76Å; H226-D440 VanDerWaalsContact N-OD1 3.08Å; H226-D440 PolarHBondContact N-OD2 2.7Å; H226-D440 IonicContact ND1-OD2 3.75Å; H226-F444 AromaticContact CE1-CD2 3.77Å; H226-F444 AromaticContact NE2-CD2 3.46Å; H226-F444 WeakPolarHBondContact NE2-CD2 3.31Å; H226-F444 AromaticContact NE2-CE2 3.83Å
227R93Very high92.4Very high77 Ų7750.3 Ų50.329%0.29128%0.283SS..Hα-helixtrans-47.8-43.7-177-172.8177.8-70.6-86.3-10.3114.6N230 K231 Q256R227-N230 PolarHBondContact O-N 3.48Å; R227-K231 WeakPolarHBondContact O-CG 3.42Å; R227-K231 PolarHBondContact O-N 2.87Å; R227-K231 VanDerWaalsContact O-N 3.1Å; R227-Q256 PolarHBondContact NH1-O 3.37Å; R227-Q256 PolarHBondContact NH2-O 3.48Å
228D92.7Very high92.5Very high111 Ų11148.6 Ų48.659%0.59427%0.274SS*.Hα-helixtrans-75.6-30.9-178.7-65.2-33.5000112.8H226 N230 K231 S232H226-D228 VanDerWaalsContact C-N 3.29Å; H226-D228 PolarHBondContact O-N 3.1Å; H226-D228 VanDerWaalsContact O-N 3.12Å; D228-N230 VanDerWaalsContact C-N 3.32Å; D228-K231 PolarHBondContact O-N 3.23Å; D228-K231 IonicContact OD1-NZ 2.83Å; D228-K231 PolarHBondContact OD1-NZ 2.72Å; D228-S232 PolarHBondContact O-N 2.77Å; D228-S232 PolarHBondContact O-OG 3.25Å
229A93.1Very high92.6Very high22 Ų2245.2 Ų45.218%0.18225%0.253CS..Hα-helixtrans-65.5-39.7169.400000110.5H226 K231 S232 S233 T443H226-A229 HydrophobicContact CB-CB 3.99Å; H226-A229 WeakPolarHBondContact O-CA 3.39Å; H226-A229 WeakPolarHBondContact O-CB 3.16Å; H226-A229 PolarHBondContact O-N 3.19Å; A229-K231 PolarHBondContact O-N 3.25Å; A229-S232 PolarHBondContact O-N 3.27Å; A229-S232 PolarHBondContact O-OG 3Å; A229-S233 WeakPolarHBondContact O-CB 3.44Å; A229-S233 PolarHBondContact O-N 3.11Å; A229-T443 HydrophobicContact CB-CG2 3.8Å
230N94.3Very high92.8Very high0 Ų042.4 Ų42.40%024%0.238CC..Hα-helixtrans-64.1-40.4178.2-60.6-24.1000112.1H226 R227 D228 S232 S233 F257 G258 F259 D440 T443H226-N230 VanDerWaalsContact O-CG 3.3Å; H226-N230 PolarHBondContact O-N 2.68Å; H226-N230 PolarHBondContact O-ND2 2.94Å; R227-N230 PolarHBondContact O-N 3.48Å; D228-N230 VanDerWaalsContact C-N 3.32Å; N230-S232 VanDerWaalsContact C-N 3.27Å; N230-S232 PolarHBondContact O-N 2.96Å; N230-S233 PolarHBondContact O-N 3.4Å; N230-F257 PolarHBondContact ND2-O 3.06Å; N230-G258 CarbonylContact C-O 3.39Å; N230-F259 HydrophobicContact CB-CD1 4.34Å; N230-F259 HydrophobicContact CB-CD2 3.88Å; N230-F259 HydrophobicContact CB-CE1 4.21Å; N230-F259 HydrophobicContact CB-CE2 3.71Å; N230-F259 HydrophobicContact CB-CG 4.16Å; N230-F259 HydrophobicContact CB-CZ 3.83Å; N230-F259 VanDerWaalsContact ND2-CE2 3.28Å; N230-F259 WeakPolarHBondContact ND2-CE2 3.31Å; N230-F259 WeakPolarHBondContact OD1-CZ 3.33Å; N230-D440 PolarHBondContact ND2-OD1 2.76Å; N230-D440 PolarHBondContact OD1-OD1 3.1Å; N230-T443 VanDerWaalsContact OD1-CB 3.24Å; N230-T443 WeakPolarHBondContact OD1-CB 3.49Å; N230-T443 WeakPolarHBondContact OD1-CG2 3.42Å; N230-T443 PolarHBondContact OD1-OG1 3.34Å
231K93.7Very high92.9Very high122 Ų12242.4 Ų42.453%0.5324%0.238SC..Hα-helixtrans-61.9-34.4175.8-71172.8-168.8157.40113.1R227 D228 A229 G258R227-K231 WeakPolarHBondContact O-CG 3.42Å; R227-K231 PolarHBondContact O-N 2.87Å; R227-K231 VanDerWaalsContact O-N 3.1Å; D228-K231 PolarHBondContact O-N 3.23Å; D228-K231 IonicContact OD1-NZ 2.83Å; D228-K231 PolarHBondContact OD1-NZ 2.72Å; A229-K231 PolarHBondContact O-N 3.25Å; K231-G258 WeakPolarHBondContact CA-O 3.15Å; K231-G258 WeakPolarHBondContact CG-O 3.5Å; K231-G258 PolarHBondContact N-O 2.77Å; K231-G258 VanDerWaalsContact N-O 3.13Å
232S91.3Very high93.2Very high95 Ų9541.2 Ų41.266%0.66423%0.23SC*.Hα-helixtrans-95.3-6.9-17752.10000113.7D228 A229 N230 A234D228-S232 PolarHBondContact O-N 2.77Å; D228-S232 PolarHBondContact O-OG 3.25Å; A229-S232 PolarHBondContact O-N 3.27Å; A229-S232 PolarHBondContact O-OG 3Å; N230-S232 VanDerWaalsContact C-N 3.27Å; N230-S232 PolarHBondContact O-N 2.96Å; S232-A234 PolarHBondContact O-N 3.07Å
233S89.4Confident93.7Very high10 Ų1036.9 Ų36.97%0.0720%0.203CC..  trans-70.2126.1-178.5-174.20000111.9A229 N230 A235 N263A229-S233 WeakPolarHBondContact O-CB 3.44Å; A229-S233 PolarHBondContact O-N 3.11Å; N230-S233 PolarHBondContact O-N 3.4Å; S233-A235 PolarHBondContact OG-N 3.29Å; S233-N263 PolarHBondContact O-ND2 3.48Å
234A88.4Confident94Very high85 Ų8535.5 Ų35.570%0.70220%0.197SC*.  trans-945.3170.600000112.9S232 K236S232-A234 PolarHBondContact O-N 3.07Å; A234-K236 PolarHBondContact O-N 3Å
235A87.9Confident94.3Very high18 Ų1834.7 Ų34.715%0.14919%0.192CC..  trans-71.1128.6-177.100000110.8S233 F442S233-A235 PolarHBondContact OG-N 3.29Å; A235-F442 HydrophobicContact CB-CD1 4.47Å; A235-F442 HydrophobicContact CB-CE1 3.55Å; A235-F442 HydrophobicContact CB-CZ 3.96Å
236K94.2Very high94.6Very high85 Ų8532.6 Ų32.637%0.3718%0.182SC..  trans-82.4140175.1-66.7-174.4-178.7-1730111A234 N263 V265 N302 S304A234-K236 PolarHBondContact O-N 3Å; K236-N263 VanDerWaalsContact CA-O 3.32Å; K236-N263 WeakPolarHBondContact CA-O 3.21Å; K236-V265 HydrophobicContact CB-CG2 4.46Å; K236-V265 HydrophobicContact CD-CG2 4.25Å; K236-N302 VanDerWaalsContact CD-O 3.24Å; K236-N302 WeakPolarHBondContact CD-O 3.14Å; K236-N302 PolarHBondContact NZ-O 2.59Å; K236-S304 PolarHBondContact O-OG 3.33Å
237L95.7Very high94.8Very high3 Ų330.8 Ų30.82%0.01618%0.175CC..EExtended strand (participates in β ladder)trans-126.6136.8172.971.793.8000109.7F239 L254 F259 N263 V264 V265 S304 I306 F308L237-F239 HydrophobicContact CD1-CB 4.3Å; L237-L254 HydrophobicContact CD1-CD1 4.44Å; L237-F259 HydrophobicContact CD2-CD1 4.5Å; L237-N263 PolarHBondContact N-O 2.92Å; L237-V264 HydrophobicContact CD1-CB 4.22Å; L237-V264 HydrophobicContact CD1-CG1 3.73Å; L237-V264 HydrophobicContact CD1-CG2 3.92Å; L237-V264 HydrophobicContact CD2-CG2 4.08Å; L237-V264 HydrophobicContact CG-CB 4.44Å; L237-V264 HydrophobicContact CG-CG1 4.44Å; L237-V264 HydrophobicContact CG-CG2 3.97Å; L237-V264 CarbonylContact O-C 3.58Å; L237-V264 WeakPolarHBondContact O-CA 3.4Å; L237-V265 PolarHBondContact O-N 2.84Å; L237-S304 WeakPolarHBondContact CA-OG 3.33Å; L237-I306 HydrophobicContact CB-CG2 3.6Å; L237-F308 HydrophobicContact CD1-CD2 4.25Å
238T98.5Very high95Very high0 Ų029.9 Ų29.90%018%0.184CC..EExtended strand (participates in β ladder)trans-97.8131.7176.6-640000109.6V265 V267 T298 A299 S304 I306 V307 F308T238-V265 CarbonylContact C-O 3.47Å; T238-V265 WeakPolarHBondContact CA-O 3.3Å; T238-V267 HydrophobicContact CG2-CG2 3.74Å; T238-T298 HydrophobicContact CG2-CG2 4.31Å; T238-A299 HydrophobicContact CG2-CB 4.15Å; T238-A299 WeakPolarHBondContact OG1-CA 3.4Å; T238-A299 WeakPolarHBondContact OG1-CB 3.39Å; T238-S304 PolarHBondContact N-OG 3.08Å; T238-S304 VanDerWaalsContact N-OG 3.07Å; T238-S304 WeakPolarHBondContact OG1-CB 3.49Å; T238-S304 PolarHBondContact OG1-OG 3.29Å; T238-S304 VanDerWaalsContact OG1-OG 3.05Å; T238-I306 PolarHBondContact N-O 3.35Å; T238-V307 HydrophobicContact CG2-CG2 4.35Å; T238-V307 CarbonylContact O-C 3.48Å; T238-V307 WeakPolarHBondContact O-CA 3.41Å; T238-F308 PolarHBondContact O-N 3.22Å
239F98.5Very high95.3Very high1 Ų125.7 Ų25.70%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-125.4137.3-178.7178-103.5000111.7L237 A241 V250 V264 V265 L266 V267 F308 T310L237-F239 HydrophobicContact CD1-CB 4.3Å; F239-A241 HydrophobicContact CE1-CB 3.99Å; F239-A241 HydrophobicContact CZ-CB 4.17Å; F239-V250 HydrophobicContact CD2-CG1 4.19Å; F239-V250 HydrophobicContact CE1-CB 4.28Å; F239-V250 HydrophobicContact CE1-CG1 4.38Å; F239-V250 HydrophobicContact CE1-CG2 4.5Å; F239-V250 HydrophobicContact CE2-CB 4.3Å; F239-V250 HydrophobicContact CE2-CG1 3.98Å; F239-V250 HydrophobicContact CE2-CG2 3.99Å; F239-V250 HydrophobicContact CG-CG1 4.49Å; F239-V250 HydrophobicContact CZ-CB 3.96Å; F239-V250 HydrophobicContact CZ-CG1 4.09Å; F239-V250 HydrophobicContact CZ-CG2 3.73Å; F239-V264 HydrophobicContact CB-CG1 3.98Å; F239-V265 PolarHBondContact N-O 3.09Å; F239-L266 HydrophobicContact CB-CD2 4.33Å; F239-L266 HydrophobicContact CD1-CD2 3.9Å; F239-V267 PolarHBondContact O-N 3.16Å; F239-F308 WeakPolarHBondContact CA-O 3.36Å; F239-F308 HydrophobicContact CD2-CB 4.02Å; F239-F308 WeakPolarHBondContact CD2-O 3.05Å; F239-T310 HydrophobicContact CE2-CG2 4.03Å; F239-T310 HydrophobicContact CZ-CG2 4.31Å
240S98.3Very high95.5Very high0 Ų024.7 Ų24.70%015%0.151CC..EExtended strand (participates in β ladder)trans-132.1134.5169.6-177.30000111.5F242 Q270 F308 C309 T310S240-F242 WeakPolarHBondContact OG-CD1 3.49Å; S240-F242 PolarHBondContact OG-N 2.96Å; S240-Q270 WeakPolarHBondContact OG-CB 3.07Å; S240-Q270 PolarHBondContact OG-OE1 3.3Å; S240-F308 PolarHBondContact N-O 3.18Å; S240-C309 VanDerWaalsContact O-CA 3.27Å; S240-C309 WeakPolarHBondContact O-CA 3.46Å; S240-T310 PolarHBondContact O-N 3.44Å; S240-T310 VanDerWaalsContact O-N 3.09Å
241A97.6Very high95.7Very high0 Ų026.7 Ų26.70%016%0.162CC..  trans-95.34.4174.200000113.1F239 H243 G244 T247 T310F239-A241 HydrophobicContact CE1-CB 3.99Å; F239-A241 HydrophobicContact CZ-CB 4.17Å; A241-H243 VanDerWaalsContact C-N 3.28Å; A241-H243 PolarHBondContact O-N 3.41Å; A241-G244 VanDerWaalsContact O-CA 3.31Å; A241-G244 WeakPolarHBondContact O-CA 3.45Å; A241-G244 PolarHBondContact O-N 2.89Å; A241-T247 WeakPolarHBondContact CB-OG1 3.18Å; A241-T310 CarbonylContact C-O 3.42Å
242F97Very high95.8Very high0 Ų023.3 Ų23.30%015%0.152CC..THydrogen-bonded Turntrans48.348.8-173.1-70.3-4.2000112.6S240 G244 P283 P285 V291 L292 C309S240-F242 WeakPolarHBondContact OG-CD1 3.49Å; S240-F242 PolarHBondContact OG-N 2.96Å; F242-G244 PolarHBondContact O-N 2.75Å; F242-P283 HydrophobicContact CB-CB 4.06Å; F242-P283 HydrophobicContact CD2-CB 4.12Å; F242-P285 HydrophobicContact CD2-CG 3.94Å; F242-P285 HydrophobicContact CE2-CB 4.06Å; F242-P285 HydrophobicContact CE2-CG 3.63Å; F242-P285 HydrophobicContact CZ-CG 4.45Å; F242-V291 HydrophobicContact CE2-CB 4.19Å; F242-V291 HydrophobicContact CE2-CG2 4.06Å; F242-V291 HydrophobicContact CZ-CB 4.1Å; F242-V291 HydrophobicContact CZ-CG2 3.99Å; F242-L292 HydrophobicContact CZ-CD2 4.28Å; F242-C309 HydrophobicContact CE1-CB 4.12Å; F242-C309 HydrophobicContact CZ-CB 4.1Å
243H97.8Very high96.1Very high5 Ų518.8 Ų18.82%0.02312%0.121CC..THydrogen-bonded Turntrans63.517.1-176.6-47.6-87.9000114.2A241 E269 Q270 E272 P273 D274 F277 P278 T279A241-H243 VanDerWaalsContact C-N 3.28Å; A241-H243 PolarHBondContact O-N 3.41Å; H243-E269 PolarHBondContact CE1-O 2.91Å; H243-E269 PolarHBondContact ND1-O 2.94Å; H243-Q270 PolarHBondContact N-O 2.83Å; H243-E272 WeakPolarHBondContact CA-O 3.45Å; H243-P273 VanDerWaalsContact O-CA 3.28Å; H243-P273 WeakPolarHBondContact O-CA 3.21Å; H243-D274 HydrophobicContact CB-CB 4.01Å; H243-D274 PolarHBondContact O-N 3.43Å; H243-F277 HydrophobicContact CB-CD1 3.84Å; H243-F277 HydrophobicContact CB-CE1 4.45Å; H243-P278 VanDerWaalsContact CE1-CD 3.46Å; H243-P278 WeakPolarHBondContact CE1-CD 3.45Å; H243-T279 PolarHBondContact CE1-OG1 3.43Å; H243-T279 PolarHBondContact NE2-N 2.96Å; H243-T279 PolarHBondContact NE2-OG1 3.3Å
244G97.3Very high96.5Very high0 Ų018.3 Ų18.30%012%0.117CC..SBendtrans-95.6-168.9-174.700000115A241 F242 G246 P312A241-G244 VanDerWaalsContact O-CA 3.31Å; A241-G244 WeakPolarHBondContact O-CA 3.45Å; A241-G244 PolarHBondContact O-N 2.89Å; F242-G244 PolarHBondContact O-N 2.75Å; G244-G246 VanDerWaalsContact C-N 3.29Å; G244-G246 PolarHBondContact O-N 3.36Å; G244-P312 CarbonylContact C-O 3.58Å; G244-P312 WeakPolarHBondContact CA-O 3.37Å
245V97.9Very high96.9Very high0 Ų021.2 Ų21.20%011%0.114CC..SBendtrans-75-16.7-179.8-55.40000113.5V100 Y128 P130 T247 A248 Y249 P312 A314V100-V245 HydrophobicContact CG1-CG1 3.58Å; Y128-V245 HydrophobicContact CD2-CB 4.16Å; Y128-V245 HydrophobicContact CD2-CG1 3.72Å; Y128-V245 HydrophobicContact CG-CG1 4.07Å; P130-V245 HydrophobicContact CB-CG2 4.26Å; P130-V245 HydrophobicContact CG-CG2 4Å; V245-T247 PolarHBondContact O-N 2.81Å; V245-A248 PolarHBondContact O-N 3.32Å; V245-Y249 VanDerWaalsContact O-CD2 3.29Å; V245-Y249 WeakPolarHBondContact O-CD2 3.3Å; V245-P312 WeakPolarHBondContact CG2-O 3.5Å; V245-P312 PolarHBondContact N-O 2.97Å; V245-A314 HydrophobicContact CG2-CB 4.09Å
246G97.4Very high97.3Very high0 Ų023.2 Ų23.20%012%0.12CC..THydrogen-bonded Turntrans-54-43.7-164.800000115.2G244 A248 Y249 V250G244-G246 VanDerWaalsContact C-N 3.29Å; G244-G246 PolarHBondContact O-N 3.36Å; G246-A248 VanDerWaalsContact C-N 3.32Å; G246-A248 PolarHBondContact O-N 2.97Å; G246-Y249 PolarHBondContact O-N 3.37Å; G246-V250 WeakPolarHBondContact O-CB 3.44Å; G246-V250 WeakPolarHBondContact O-CG2 3.14Å; G246-V250 PolarHBondContact O-N 3.09Å
247T97.9Very high97.4Very high13 Ų1319.2 Ų19.28%0.0810%0.103CC..Hα-helixtrans-53.5-45.4-174.8-530000112.9A241 V245 Y249 L251 L266 A271A241-T247 WeakPolarHBondContact CB-OG1 3.18Å; V245-T247 PolarHBondContact O-N 2.81Å; T247-Y249 PolarHBondContact O-N 3.2Å; T247-Y249 VanDerWaalsContact O-N 3.13Å; T247-L251 HydrophobicContact CG2-CD1 3.87Å; T247-L251 HydrophobicContact CG2-CG 4.39Å; T247-L251 WeakPolarHBondContact O-CG 3.32Å; T247-L251 PolarHBondContact O-N 3.43Å; T247-L266 HydrophobicContact CG2-CD1 4.15Å; T247-L266 HydrophobicContact CG2-CD2 4.19Å; T247-A271 WeakPolarHBondContact CB-O 3.28Å; T247-A271 PolarHBondContact OG1-O 3.46Å
248A96.6Very high97.4Very high57 Ų5719.6 Ų19.647%0.47111%0.108SC..Hα-helixtrans-67.6-13.4-176.200000114.1V245 G246 P252V245-A248 PolarHBondContact O-N 3.32Å; G246-A248 VanDerWaalsContact C-N 3.32Å; G246-A248 PolarHBondContact O-N 2.97Å; A248-P252 VanDerWaalsContact O-CD 3.31Å; A248-P252 WeakPolarHBondContact O-CD 3.37Å; A248-P252 VanDerWaalsContact O-CG 3.28Å; A248-P252 WeakPolarHBondContact O-CG 3.46Å
249Y97.8Very high97.2Very high24 Ų2420.4 Ų20.49%0.09411%0.112CC..Hα-helixtrans-120-34.4-175.6-60-94.5000112.5Y128 V129 P130 L133 V245 G246 T247 P252 M253Y128-Y249 PolarHBondContact O-OH 2.94Å; V129-Y249 VanDerWaalsContact CG1-OH 3.31Å; V129-Y249 WeakPolarHBondContact CG1-OH 3.27Å; P130-Y249 VanDerWaalsContact CD-CD2 3.42Å; P130-Y249 VanDerWaalsContact CD-CE2 3.41Å; P130-Y249 HydrophobicContact CG-CD1 3.93Å; P130-Y249 HydrophobicContact CG-CD2 3.52Å; P130-Y249 HydrophobicContact CG-CE1 4.41Å; P130-Y249 HydrophobicContact CG-CE2 4.07Å; P130-Y249 HydrophobicContact CG-CG 3.46Å; P130-Y249 VanDerWaalsContact CG-CG 3.46Å; L133-Y249 HydrophobicContact CD2-CD1 4.35Å; L133-Y249 HydrophobicContact CD2-CE1 3.81Å; V245-Y249 VanDerWaalsContact O-CD2 3.29Å; V245-Y249 WeakPolarHBondContact O-CD2 3.3Å; G246-Y249 PolarHBondContact O-N 3.37Å; T247-Y249 PolarHBondContact O-N 3.2Å; T247-Y249 VanDerWaalsContact O-N 3.13Å; Y249-P252 WeakPolarHBondContact O-CD 3.44Å; Y249-M253 WeakPolarHBondContact O-CB 3.27Å; Y249-M253 PolarHBondContact O-N 3.09Å; Y249-M253 VanDerWaalsContact O-N 3.09Å
250V97.9Very high96.8Very high1 Ų124.3 Ų24.31%0.00613%0.132CC..Hα-helixtrans-64.8-44.5173.6169.50000111F239 G246 M253 L254 V432 C435F239-V250 HydrophobicContact CD2-CG1 4.19Å; F239-V250 HydrophobicContact CE1-CB 4.28Å; F239-V250 HydrophobicContact CE1-CG1 4.38Å; F239-V250 HydrophobicContact CE1-CG2 4.5Å; F239-V250 HydrophobicContact CE2-CB 4.3Å; F239-V250 HydrophobicContact CE2-CG1 3.98Å; F239-V250 HydrophobicContact CE2-CG2 3.99Å; F239-V250 HydrophobicContact CG-CG1 4.49Å; F239-V250 HydrophobicContact CZ-CB 3.96Å; F239-V250 HydrophobicContact CZ-CG1 4.09Å; F239-V250 HydrophobicContact CZ-CG2 3.73Å; G246-V250 WeakPolarHBondContact O-CB 3.44Å; G246-V250 WeakPolarHBondContact O-CG2 3.14Å; G246-V250 PolarHBondContact O-N 3.09Å; V250-M253 PolarHBondContact O-N 3.09Å; V250-L254 HydrophobicContact CG1-CD1 3.76Å; V250-L254 HydrophobicContact CG1-CG 4.1Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 WeakPolarHBondContact O-CG 3.33Å; V250-L254 PolarHBondContact O-N 3.11Å; V250-V432 HydrophobicContact CG2-CB 4.41Å; V250-V432 HydrophobicContact CG2-CG1 4.23Å; V250-V432 HydrophobicContact CG2-CG2 4.26Å; V250-C435 HydrophobicContact CG1-CB 4.33Å; V250-C435 VanDerWaalsContact CG1-SG 3.56Å; V250-C435 HydrophobicContact CG2-CB 4.37Å
251L97.8Very high96.4Very high41 Ų4127.1 Ų27.122%0.21515%0.15CC..Hα-helixtrans-62.9-48-179.6-66.7179000112.7T247 M253 L254 K255 T261 V264 L266T247-L251 HydrophobicContact CG2-CD1 3.87Å; T247-L251 HydrophobicContact CG2-CG 4.39Å; T247-L251 WeakPolarHBondContact O-CG 3.32Å; T247-L251 PolarHBondContact O-N 3.43Å; L251-M253 VanDerWaalsContact C-N 3.32Å; L251-M253 PolarHBondContact O-N 2.82Å; L251-L254 PolarHBondContact O-N 3.34Å; L251-K255 WeakPolarHBondContact O-CB 3.33Å; L251-K255 PolarHBondContact O-N 3.16Å; L251-T261 HydrophobicContact CD2-CG2 4.45Å; L251-V264 HydrophobicContact CD2-CB 4.09Å; L251-V264 HydrophobicContact CD2-CG1 3.8Å; L251-V264 HydrophobicContact CD2-CG2 4.22Å; L251-L266 HydrophobicContact CD1-CD1 4.32Å; L251-L266 HydrophobicContact CD2-CD2 4.43Å
252P97.3Very high96.1Very high51 Ų5130.9 Ų30.933%0.33118%0.181SC..Hα-helixtrans-59.2-38.3171.2-27.536.4000114L217 A248 Y249 K255 Q256L217-P252 HydrophobicContact CD1-CB 4.02Å; L217-P252 HydrophobicContact CD2-CB 4.11Å; A248-P252 VanDerWaalsContact O-CD 3.31Å; A248-P252 WeakPolarHBondContact O-CD 3.37Å; A248-P252 VanDerWaalsContact O-CG 3.28Å; A248-P252 WeakPolarHBondContact O-CG 3.46Å; Y249-P252 WeakPolarHBondContact O-CD 3.44Å; P252-K255 PolarHBondContact O-N 2.96Å; P252-Q256 VanDerWaalsContact O-CB 3.29Å; P252-Q256 WeakPolarHBondContact O-CB 3.13Å; P252-Q256 PolarHBondContact O-N 2.83Å
253M97.7Very high95.9Very high0 Ų032.7 Ų32.70%019%0.19CC..Hα-helixtrans-67.1-43.7178-170.763.775.600112.1Y216 L217 N220 Y249 V250 L251 K255 Q256 F257 V432 V433 A436Y216-M253 HydrophobicContact CD1-CE 3.72Å; Y216-M253 HydrophobicContact CE1-CE 3.29Å; L217-M253 HydrophobicContact CD2-CB 4.03Å; L217-M253 HydrophobicContact CD2-CE 3.72Å; L217-M253 HydrophobicContact CD2-SD 3.87Å; N220-M253 HydrophobicContact CB-CE 3.91Å; N220-M253 HydrophobicContact CB-SD 4.22Å; Y249-M253 WeakPolarHBondContact O-CB 3.27Å; Y249-M253 PolarHBondContact O-N 3.09Å; Y249-M253 VanDerWaalsContact O-N 3.09Å; V250-M253 PolarHBondContact O-N 3.09Å; L251-M253 VanDerWaalsContact C-N 3.32Å; L251-M253 PolarHBondContact O-N 2.82Å; M253-K255 VanDerWaalsContact C-N 3.34Å; M253-K255 PolarHBondContact O-N 2.93Å; M253-Q256 CarbonylContact O-C 3.54Å; M253-Q256 WeakPolarHBondContact O-CA 3.4Å; M253-Q256 WeakPolarHBondContact O-CB 3.25Å; M253-Q256 PolarHBondContact O-N 2.86Å; M253-Q256 VanDerWaalsContact O-N 3.11Å; M253-F257 HydrophobicContact CG-CD2 4.33Å; M253-F257 HydrophobicContact CG-CE2 4.2Å; M253-F257 WeakPolarHBondContact O-CD2 3.47Å; M253-F257 PolarHBondContact O-N 3.15Å; M253-F257 HydrophobicContact SD-CD2 4.13Å; M253-F257 HydrophobicContact SD-CE2 3.73Å; M253-V432 HydrophobicContact CB-CG1 3.99Å; M253-V432 HydrophobicContact CE-CG1 4.43Å; M253-V432 HydrophobicContact CG-CG1 4.37Å; M253-V433 HydrophobicContact CE-CG2 3.94Å; M253-A436 HydrophobicContact CB-CB 4.38Å; M253-A436 HydrophobicContact CG-CB 3.53Å
254L97.2Very high95.9Very high0 Ų033.2 Ų33.20%019%0.194CC..Hα-helixtrans-59.4-45.6173.9-73.2174.6000111.2L237 V250 L251 Q256 F257 G258 F259 V264 A436 A439L237-L254 HydrophobicContact CD1-CD1 4.44Å; V250-L254 HydrophobicContact CG1-CD1 3.76Å; V250-L254 HydrophobicContact CG1-CG 4.1Å; V250-L254 WeakPolarHBondContact O-CB 3.43Å; V250-L254 WeakPolarHBondContact O-CG 3.33Å; V250-L254 PolarHBondContact O-N 3.11Å; L251-L254 PolarHBondContact O-N 3.34Å; L254-Q256 VanDerWaalsContact C-N 3.3Å; L254-Q256 PolarHBondContact O-N 3.1Å; L254-F257 CarbonylContact O-C 3.51Å; L254-F257 WeakPolarHBondContact O-CA 3.44Å; L254-F257 WeakPolarHBondContact O-CB 3.26Å; L254-F257 PolarHBondContact O-N 3.35Å; L254-G258 PolarHBondContact O-N 2.64Å; L254-F259 HydrophobicContact CB-CB 4.12Å; L254-F259 HydrophobicContact CD2-CD2 4.11Å; L254-F259 HydrophobicContact CD2-CG 4.37Å; L254-F259 WeakPolarHBondContact O-CB 3.47Å; L254-F259 PolarHBondContact O-N 2.94Å; L254-V264 HydrophobicContact CD1-CG2 3.89Å; L254-A436 HydrophobicContact CD2-CB 4.22Å; L254-A439 HydrophobicContact CD2-CB 3.42Å; L254-A439 VanDerWaalsContact CD2-CB 3.42Å
255K96.5Very high95.9Very high147 Ų14734.1 Ų34.164%0.63920%0.199SC*.Hα-helixtrans-59.1-42.9173.3-175.9178.8179.3178.90111.4L251 P252 M253 F257 G258 T261L251-K255 WeakPolarHBondContact O-CB 3.33Å; L251-K255 PolarHBondContact O-N 3.16Å; P252-K255 PolarHBondContact O-N 2.96Å; M253-K255 VanDerWaalsContact C-N 3.34Å; M253-K255 PolarHBondContact O-N 2.93Å; K255-F257 PolarHBondContact O-N 2.86Å; K255-G258 WeakPolarHBondContact O-CA 3.46Å; K255-G258 PolarHBondContact O-N 2.93Å; K255-T261 HydrophobicContact CB-CG2 4.14Å
256Q96.4Very high95.9Very high60 Ų6035.8 Ų35.828%0.2821%0.208SC..Hα-helixtrans-64.8-20.8175.5-174.86313.600112.6L217 R227 P252 M253 L254L217-Q256 HydrophobicContact CB-CG 4.1Å; L217-Q256 HydrophobicContact CD2-CB 4.32Å; L217-Q256 WeakPolarHBondContact O-CG 3.47Å; R227-Q256 PolarHBondContact NH1-O 3.37Å; R227-Q256 PolarHBondContact NH2-O 3.48Å; P252-Q256 VanDerWaalsContact O-CB 3.29Å; P252-Q256 WeakPolarHBondContact O-CB 3.13Å; P252-Q256 PolarHBondContact O-N 2.83Å; M253-Q256 CarbonylContact O-C 3.54Å; M253-Q256 WeakPolarHBondContact O-CA 3.4Å; M253-Q256 WeakPolarHBondContact O-CB 3.25Å; M253-Q256 PolarHBondContact O-N 2.86Å; M253-Q256 VanDerWaalsContact O-N 3.11Å; L254-Q256 VanDerWaalsContact C-N 3.3Å; L254-Q256 PolarHBondContact O-N 3.1Å
257F96.3Very high95.9Very high0 Ų035.8 Ų35.80%021%0.208CC..THydrogen-bonded Turntrans-90.32171.7-84.5-134.3000112.9N220 F223 C224 N230 M253 L254 K255 F259 A436 V437 D440N220-F257 WeakPolarHBondContact O-CE2 3.3Å; N220-F257 WeakPolarHBondContact O-CZ 3.04Å; F223-F257 HydrophobicContact CB-CZ 4.11Å; C224-F257 HydrophobicContact CB-CB 4.28Å; C224-F257 HydrophobicContact CB-CD1 3.53Å; C224-F257 HydrophobicContact CB-CD2 4.02Å; C224-F257 HydrophobicContact CB-CE1 3.75Å; C224-F257 HydrophobicContact CB-CE2 4.21Å; C224-F257 HydrophobicContact CB-CG 3.67Å; C224-F257 HydrophobicContact CB-CZ 4.08Å; C224-F257 PolarHBondContact SG-O 2.8Å; N230-F257 PolarHBondContact ND2-O 3.06Å; M253-F257 HydrophobicContact CG-CD2 4.33Å; M253-F257 HydrophobicContact CG-CE2 4.2Å; M253-F257 WeakPolarHBondContact O-CD2 3.47Å; M253-F257 PolarHBondContact O-N 3.15Å; M253-F257 HydrophobicContact SD-CD2 4.13Å; M253-F257 HydrophobicContact SD-CE2 3.73Å; L254-F257 CarbonylContact O-C 3.51Å; L254-F257 WeakPolarHBondContact O-CA 3.44Å; L254-F257 WeakPolarHBondContact O-CB 3.26Å; L254-F257 PolarHBondContact O-N 3.35Å; K255-F257 PolarHBondContact O-N 2.86Å; F257-F259 HydrophobicContact CB-CD2 3.96Å; F257-F259 HydrophobicContact CB-CE2 4.22Å; F257-A436 HydrophobicContact CD1-CB 3.82Å; F257-A436 WeakPolarHBondContact CD1-O 3.37Å; F257-A436 HydrophobicContact CD2-CB 4.1Å; F257-A436 HydrophobicContact CE1-CB 3.88Å; F257-A436 HydrophobicContact CE2-CB 4.16Å; F257-A436 HydrophobicContact CG-CB 3.95Å; F257-A436 HydrophobicContact CZ-CB 4.05Å; F257-V437 HydrophobicContact CE1-CG2 4.08Å; F257-V437 HydrophobicContact CZ-CG2 4.37Å; F257-D440 HydrophobicContact CD1-CB 4.34Å
258G95.4Very high95.9Very high12 Ų1241.7 Ų41.712%0.12424%0.235CC..THydrogen-bonded Turntrans90.92.2178.200000114.9N230 K231 L254 K255N230-G258 CarbonylContact C-O 3.39Å; K231-G258 WeakPolarHBondContact CA-O 3.15Å; K231-G258 WeakPolarHBondContact CG-O 3.5Å; K231-G258 PolarHBondContact N-O 2.77Å; K231-G258 VanDerWaalsContact N-O 3.13Å; L254-G258 PolarHBondContact O-N 2.64Å; K255-G258 WeakPolarHBondContact O-CA 3.46Å; K255-G258 PolarHBondContact O-N 2.93Å
259F94Very high96Very high17 Ų1744 Ų448%0.07524%0.236CC..  trans-69.1139.2177.3-75.7-90.9000111.9N230 L237 L254 F257 T261 A439 T443N230-F259 HydrophobicContact CB-CD1 4.34Å; N230-F259 HydrophobicContact CB-CD2 3.88Å; N230-F259 HydrophobicContact CB-CE1 4.21Å; N230-F259 HydrophobicContact CB-CE2 3.71Å; N230-F259 HydrophobicContact CB-CG 4.16Å; N230-F259 HydrophobicContact CB-CZ 3.83Å; N230-F259 VanDerWaalsContact ND2-CE2 3.28Å; N230-F259 WeakPolarHBondContact ND2-CE2 3.31Å; N230-F259 WeakPolarHBondContact OD1-CZ 3.33Å; L237-F259 HydrophobicContact CD2-CD1 4.5Å; L254-F259 HydrophobicContact CB-CB 4.12Å; L254-F259 HydrophobicContact CD2-CD2 4.11Å; L254-F259 HydrophobicContact CD2-CG 4.37Å; L254-F259 WeakPolarHBondContact O-CB 3.47Å; L254-F259 PolarHBondContact O-N 2.94Å; F257-F259 HydrophobicContact CB-CD2 3.96Å; F257-F259 HydrophobicContact CB-CE2 4.22Å; F259-T261 PolarHBondContact O-N 2.94Å; F259-A439 HydrophobicContact CD2-CB 4.21Å; F259-A439 HydrophobicContact CE1-CB 3.96Å; F259-A439 HydrophobicContact CE2-CB 3.62Å; F259-A439 HydrophobicContact CZ-CB 3.53Å; F259-A439 WeakPolarHBondContact CZ-O 3.21Å; F259-T443 WeakPolarHBondContact CE1-OG1 3.17Å; F259-T443 VanDerWaalsContact CZ-OG1 3.28Å; F259-T443 WeakPolarHBondContact CZ-OG1 3.4Å
260N91.3Very high96Very high82 Ų8242.9 Ų42.944%0.43923%0.232SC..  trans-74.6112.8165.8-173.6-4.9000109.5A262 N263N260-A262 PolarHBondContact O-N 3.44Å; N260-A262 VanDerWaalsContact O-N 3.11Å; N260-A262 VanDerWaalsContact OD1-CB 3.29Å; N260-A262 WeakPolarHBondContact OD1-CB 3.38Å; N260-A262 PolarHBondContact OD1-N 3.43Å; N260-N263 PolarHBondContact O-N 3.45Å
261T89.9Confident95.9Very high60 Ų6042.9 Ų42.937%0.36823%0.232SC..G310 helixtrans-62.6-17.9179.152.80000113.1L251 K255 F259 N263 V264L251-T261 HydrophobicContact CD2-CG2 4.45Å; K255-T261 HydrophobicContact CB-CG2 4.14Å; F259-T261 PolarHBondContact O-N 2.94Å; T261-N263 PolarHBondContact O-N 2.86Å; T261-V264 WeakPolarHBondContact O-CB 3.44Å; T261-V264 PolarHBondContact O-N 3.28Å; T261-V264 VanDerWaalsContact O-N 3.09Å
262A91.3Very high95.8Very high79 Ų7947.4 Ų47.465%0.65325%0.251SS*.G310 helixtrans-66.5-17.3172.300000113.7N260 V264N260-A262 PolarHBondContact O-N 3.44Å; N260-A262 VanDerWaalsContact O-N 3.11Å; N260-A262 VanDerWaalsContact OD1-CB 3.29Å; N260-A262 WeakPolarHBondContact OD1-CB 3.38Å; N260-A262 PolarHBondContact OD1-N 3.43Å; A262-V264 VanDerWaalsContact C-N 3.35Å
263N93.2Very high95.8Very high38 Ų3846.8 Ų46.820%0.20325%0.247CC..G310 helixtrans-90.8-0.9174.2-65.2-21.8000112.7S233 K236 L237 N260 T261S233-N263 PolarHBondContact O-ND2 3.48Å; K236-N263 VanDerWaalsContact CA-O 3.32Å; K236-N263 WeakPolarHBondContact CA-O 3.21Å; L237-N263 PolarHBondContact N-O 2.92Å; N260-N263 PolarHBondContact O-N 3.45Å; T261-N263 PolarHBondContact O-N 2.86Å
264V96.4Very high95.8Very high16 Ų1649.3 Ų49.310%0.09726%0.261CS..EExtended strand (participates in β ladder)trans-89.7113.5174-1770000108.4L237 F239 L251 L254 T261 A262 L266L237-V264 HydrophobicContact CD1-CB 4.22Å; L237-V264 HydrophobicContact CD1-CG1 3.73Å; L237-V264 HydrophobicContact CD1-CG2 3.92Å; L237-V264 HydrophobicContact CD2-CG2 4.08Å; L237-V264 HydrophobicContact CG-CB 4.44Å; L237-V264 HydrophobicContact CG-CG1 4.44Å; L237-V264 HydrophobicContact CG-CG2 3.97Å; L237-V264 CarbonylContact O-C 3.58Å; L237-V264 WeakPolarHBondContact O-CA 3.4Å; F239-V264 HydrophobicContact CB-CG1 3.98Å; L251-V264 HydrophobicContact CD2-CB 4.09Å; L251-V264 HydrophobicContact CD2-CG1 3.8Å; L251-V264 HydrophobicContact CD2-CG2 4.22Å; L254-V264 HydrophobicContact CD1-CG2 3.89Å; T261-V264 WeakPolarHBondContact O-CB 3.44Å; T261-V264 PolarHBondContact O-N 3.28Å; T261-V264 VanDerWaalsContact O-N 3.09Å; A262-V264 VanDerWaalsContact C-N 3.35Å; V264-L266 HydrophobicContact CG1-CD2 4.03Å
265V97.9Very high95.8Very high18 Ų1851 Ų5111%0.10927%0.272CS..EExtended strand (participates in β ladder)trans-87.9109.4174.1-179.10000107.7K236 L237 T238 F239 T298 N302K236-V265 HydrophobicContact CB-CG2 4.46Å; K236-V265 HydrophobicContact CD-CG2 4.25Å; L237-V265 PolarHBondContact O-N 2.84Å; T238-V265 CarbonylContact C-O 3.47Å; T238-V265 WeakPolarHBondContact CA-O 3.3Å; F239-V265 PolarHBondContact N-O 3.09Å; V265-T298 HydrophobicContact CG1-CG2 3.85Å; V265-N302 HydrophobicContact CB-CB 4.37Å; V265-N302 HydrophobicContact CG1-CB 3.71Å; V265-N302 HydrophobicContact CG2-CB 3.83Å
266L98Very high95.8Very high36 Ų3647.1 Ų47.119%0.18826%0.258CS..EExtended strand (participates in β ladder)trans-78141.5174.6-61.8178.3000110.1F239 T247 L251 V264 E268 A271F239-L266 HydrophobicContact CB-CD2 4.33Å; F239-L266 HydrophobicContact CD1-CD2 3.9Å; T247-L266 HydrophobicContact CG2-CD1 4.15Å; T247-L266 HydrophobicContact CG2-CD2 4.19Å; L251-L266 HydrophobicContact CD1-CD1 4.32Å; L251-L266 HydrophobicContact CD2-CD2 4.43Å; V264-L266 HydrophobicContact CG1-CD2 4.03Å; L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.01Å; L266-E268 VanDerWaalsContact O-N 3.15Å; L266-A271 HydrophobicContact CB-CB 4.1Å; L266-A271 HydrophobicContact CD1-CB 4.36Å
267V98.2Very high95.8Very high0 Ų044.3 Ų44.30%025%0.245CC..  trans-77.391163.2-177.20000106.7T238 F239 E269 Q270 A271 L294 T298T238-V267 HydrophobicContact CG2-CG2 3.74Å; F239-V267 PolarHBondContact O-N 3.16Å; V267-E269 PolarHBondContact O-N 2.86Å; V267-E269 VanDerWaalsContact O-N 3.15Å; V267-Q270 HydrophobicContact CB-CB 4.35Å; V267-Q270 HydrophobicContact CG1-CB 4.06Å; V267-Q270 HydrophobicContact CG1-CG 4.14Å; V267-Q270 CarbonylContact O-C 3.53Å; V267-Q270 WeakPolarHBondContact O-CA 3.36Å; V267-Q270 PolarHBondContact O-N 2.56Å; V267-A271 WeakPolarHBondContact O-CB 3.48Å; V267-A271 PolarHBondContact O-N 3Å; V267-L294 HydrophobicContact CG1-CD2 3.91Å; V267-L294 HydrophobicContact CG1-CG 3.77Å; V267-T298 HydrophobicContact CG2-CG2 4.17Å
268E97.7Very high95.7Very high136 Ų13648.1 Ų48.164%0.63627%0.27SS*.Hα-helixtrans-51.9-39.7-170.8-65.7-60.9152.900112.7L266 Q270 A271L266-E268 VanDerWaalsContact C-N 3.33Å; L266-E268 PolarHBondContact O-N 3.01Å; L266-E268 VanDerWaalsContact O-N 3.15Å; E268-Q270 PolarHBondContact O-N 2.82Å; E268-Q270 VanDerWaalsContact O-N 3.1Å; E268-A271 PolarHBondContact O-N 3.39Å
269E97.4Very high95.7Very high106 Ų10650.6 Ų50.650%0.49528%0.283SS..Hα-helixtrans-71.1-2.8178.6-51.195.3139.800114.2H243 V267 L294H243-E269 PolarHBondContact CE1-O 2.91Å; H243-E269 PolarHBondContact ND1-O 2.94Å; V267-E269 PolarHBondContact O-N 2.86Å; V267-E269 VanDerWaalsContact O-N 3.15Å; E269-L294 HydrophobicContact CB-CD2 4.11Å
270Q97.9Very high95.5Very high1 Ų150 Ų501%0.00528%0.281CS..Hα-helixtrans-133.73178.3-67-177.7-25.300112.9S240 H243 V267 E268 T279 L294S240-Q270 WeakPolarHBondContact OG-CB 3.07Å; S240-Q270 PolarHBondContact OG-OE1 3.3Å; H243-Q270 PolarHBondContact N-O 2.83Å; V267-Q270 HydrophobicContact CB-CB 4.35Å; V267-Q270 HydrophobicContact CG1-CB 4.06Å; V267-Q270 HydrophobicContact CG1-CG 4.14Å; V267-Q270 CarbonylContact O-C 3.53Å; V267-Q270 WeakPolarHBondContact O-CA 3.36Å; V267-Q270 PolarHBondContact O-N 2.56Å; E268-Q270 PolarHBondContact O-N 2.82Å; E268-Q270 VanDerWaalsContact O-N 3.1Å; Q270-T279 WeakPolarHBondContact CG-OG1 3.19Å; Q270-T279 PolarHBondContact NE2-OG1 2.97Å; Q270-L294 HydrophobicContact CG-CD2 4.01Å
271A96.4Very high95.1Very high1 Ų150.8 Ų50.81%0.00829%0.29CS..Hα-helixtrans-81.3-41.6-171.300000112.5T247 L266 V267 E268T247-A271 WeakPolarHBondContact CB-O 3.28Å; T247-A271 PolarHBondContact OG1-O 3.46Å; L266-A271 HydrophobicContact CB-CB 4.1Å; L266-A271 HydrophobicContact CD1-CB 4.36Å; V267-A271 WeakPolarHBondContact O-CB 3.48Å; V267-A271 PolarHBondContact O-N 3Å; E268-A271 PolarHBondContact O-N 3.39Å
272E96.5Very high95Very high135 Ų13551.7 Ų51.763%0.63129%0.289SS*.SBendtrans-83.3144.4178.2-70.7-59.713500111.6H243 D274H243-E272 WeakPolarHBondContact CA-O 3.45Å; E272-D274 PolarHBondContact O-N 3.29Å
273P97.2Very high95Very high38 Ų3847.9 Ų47.925%0.24726%0.258CS..  trans-53.8118.9170.3-36.744.1000114.5V100 Y128 H243V100-P273 HydrophobicContact CB-CB 4.28Å; V100-P273 HydrophobicContact CG1-CB 3.64Å; V100-P273 HydrophobicContact CG1-CG 4.15Å; Y128-P273 HydrophobicContact CD2-CG 4.46Å; Y128-P273 HydrophobicContact CE1-CB 4.18Å; Y128-P273 HydrophobicContact CE1-CG 4.17Å; Y128-P273 HydrophobicContact CE2-CG 3.72Å; H243-P273 VanDerWaalsContact O-CA 3.28Å; H243-P273 WeakPolarHBondContact O-CA 3.21Å
274D97.8Very high95Very high54 Ų5446.3 Ų46.329%0.28925%0.25SC..  trans-136.4115.2172.8-175.7-15000110.1H243 E272 D276 F277 P278H243-D274 HydrophobicContact CB-CB 4.01Å; H243-D274 PolarHBondContact O-N 3.43Å; E272-D274 PolarHBondContact O-N 3.29Å; D274-D276 PolarHBondContact O-N 2.9Å; D274-D276 VanDerWaalsContact O-N 3.13Å; D274-D276 WeakPolarHBondContact OD1-CB 3.18Å; D274-D276 PolarHBondContact OD1-N 3.4Å; D274-F277 WeakPolarHBondContact O-CD1 3.36Å; D274-F277 VanDerWaalsContact O-CE1 3.31Å; D274-F277 WeakPolarHBondContact O-CE1 3.36Å; D274-F277 PolarHBondContact O-N 3.06Å; D274-P278 WeakPolarHBondContact OD2-CD 3.39Å; D274-P278 WeakPolarHBondContact OD2-CG 3.3Å
275P97Very high94.9Very high35 Ų3545.6 Ų45.623%0.22725%0.245CC..THydrogen-bonded Turntrans-62.8-16.7179.826.6-35.7000114.4V100V100-P275 WeakPolarHBondContact O-CB 3.02Å
276D96.8Very high94.4Very high65 Ų6548.9 Ų48.935%0.34826%0.259SS..THydrogen-bonded Turntrans-89-8.3-177.1-82.4-58.8000114.5H102 K156 D274 P278H102-D276 IonicContact CE1-OD2 3.93Å; H102-D276 IonicContact NE2-OD1 3.1Å; H102-D276 PolarHBondContact NE2-OD1 3.49Å; H102-D276 IonicContact NE2-OD2 3.57Å; H102-D276 PolarHBondContact NE2-OD2 3.44Å; K156-D276 HydrophobicContact CD-CB 4.47Å; K156-D276 VanDerWaalsContact CD-O 3.25Å; K156-D276 WeakPolarHBondContact CD-O 3.25Å; K156-D276 IonicContact NZ-OD1 3.98Å; K156-D276 PolarHBondContact NZ-OD1 2.84Å; D274-D276 PolarHBondContact O-N 2.9Å; D274-D276 VanDerWaalsContact O-N 3.13Å; D274-D276 WeakPolarHBondContact OD1-CB 3.18Å; D274-D276 PolarHBondContact OD1-N 3.4Å; D276-P278 VanDerWaalsContact C-N 3.33Å
277F95.1Very high93.7Very high1 Ų151.7 Ų51.70%0.00427%0.272CS..  trans43.449.2179.6-48.7-33.7000113.9V100 R101 K156 H243 D274 T279 A280 P283 P312V100-F277 HydrophobicContact CG2-CE1 3.78Å; V100-F277 HydrophobicContact CG2-CZ 4.24Å; R101-F277 HydrophobicContact CG-CE2 4.32Å; R101-F277 HydrophobicContact CG-CZ 3.83Å; K156-F277 HydrophobicContact CB-CD2 3.68Å; K156-F277 HydrophobicContact CB-CE2 4.08Å; K156-F277 HydrophobicContact CB-CG 4.42Å; H243-F277 HydrophobicContact CB-CD1 3.84Å; H243-F277 HydrophobicContact CB-CE1 4.45Å; D274-F277 WeakPolarHBondContact O-CD1 3.36Å; D274-F277 VanDerWaalsContact O-CE1 3.31Å; D274-F277 WeakPolarHBondContact O-CE1 3.36Å; D274-F277 PolarHBondContact O-N 3.06Å; F277-T279 VanDerWaalsContact C-N 3.25Å; F277-T279 PolarHBondContact O-N 3.47Å; F277-A280 WeakPolarHBondContact CB-O 3.49Å; F277-A280 CarbonylContact O-C 3.53Å; F277-A280 VanDerWaalsContact O-C 3.25Å; F277-A280 PolarHBondContact O-N 3Å; F277-P283 HydrophobicContact CD2-CG 3.74Å; F277-P283 HydrophobicContact CE2-CG 3.96Å; F277-P283 HydrophobicContact CG-CG 4.28Å; F277-P312 HydrophobicContact CE1-CB 4.1Å; F277-P312 HydrophobicContact CE1-CG 4.12Å; F277-P312 HydrophobicContact CE2-CG 4.34Å; F277-P312 HydrophobicContact CZ-CB 3.91Å; F277-P312 HydrophobicContact CZ-CG 3.91Å
278P95.4Very high93.2Very high80 Ų8052.2 Ų52.252%0.51928%0.277SS..THydrogen-bonded Turntrans-59.2-30.1-162.121.7-34.9000114.8H243 D274 D276H243-P278 VanDerWaalsContact CE1-CD 3.46Å; H243-P278 WeakPolarHBondContact CE1-CD 3.45Å; D274-P278 WeakPolarHBondContact OD2-CD 3.39Å; D274-P278 WeakPolarHBondContact OD2-CG 3.3Å; D276-P278 VanDerWaalsContact C-N 3.33Å
279T93.9Very high92.7Very high65 Ų6551.7 Ų51.740%0.39928%0.275SS..THydrogen-bonded Turntrans-100.3-2.5178.2640000113.8H243 Q270 F277 L294H243-T279 PolarHBondContact CE1-OG1 3.43Å; H243-T279 PolarHBondContact NE2-N 2.96Å; H243-T279 PolarHBondContact NE2-OG1 3.3Å; Q270-T279 WeakPolarHBondContact CG-OG1 3.19Å; Q270-T279 PolarHBondContact NE2-OG1 2.97Å; F277-T279 VanDerWaalsContact C-N 3.25Å; F277-T279 PolarHBondContact O-N 3.47Å; T279-L294 HydrophobicContact CG2-CD2 4.22Å
280A89.6Confident92.2Very high4 Ų454.2 Ų54.23%0.03328%0.284CS..  trans-141.870.2-178.800000111.7F277 F282 P283F277-A280 WeakPolarHBondContact CB-O 3.49Å; F277-A280 CarbonylContact O-C 3.53Å; F277-A280 VanDerWaalsContact O-C 3.25Å; F277-A280 PolarHBondContact O-N 3Å; A280-F282 PolarHBondContact O-N 3.37Å; A280-P283 HydrophobicContact CB-CB 4.07Å; A280-P283 VanDerWaalsContact O-CD 3.3Å; A280-P283 WeakPolarHBondContact O-CD 3.49Å
281P84.3Confident91.8Very high98 Ų9855.3 Ų55.364%0.63629%0.29SS*.SBendtrans-56.1-26.9-177.5-26.134.5000114.7
282F87.2Confident91.8Very high79 Ų7955.2 Ų55.235%0.34629%0.29SS..SBendtrans-122.986.8168.5-167-99.7000108.5P155 A280 N284 E287P155-F282 HydrophobicContact CG-CD2 3.87Å; P155-F282 HydrophobicContact CG-CE2 4.24Å; A280-F282 PolarHBondContact O-N 3.37Å; F282-N284 HydrophobicContact CD1-CB 3.67Å; F282-N284 HydrophobicContact CE1-CB 3.46Å; F282-N284 VanDerWaalsContact CE1-CB 3.46Å; F282-N284 HydrophobicContact CZ-CB 4.4Å; F282-N284 PolarHBondContact O-N 2.99Å; F282-E287 HydrophobicContact CD1-CG 3.76Å; F282-E287 HydrophobicContact CE1-CG 3.92Å; F282-E287 WeakPolarHBondContact CE1-OE1 3.24Å
283P91.9Very high91.7Very high0 Ų054.9 Ų54.90%029%0.286CS..  trans-80.157-168.635.4-38.5000111.8H153 F242 F277 A280 P285 P312H153-P283 WeakPolarHBondContact O-CD 3.35Å; F242-P283 HydrophobicContact CB-CB 4.06Å; F242-P283 HydrophobicContact CD2-CB 4.12Å; F277-P283 HydrophobicContact CD2-CG 3.74Å; F277-P283 HydrophobicContact CE2-CG 3.96Å; F277-P283 HydrophobicContact CG-CG 4.28Å; A280-P283 HydrophobicContact CB-CB 4.07Å; A280-P283 VanDerWaalsContact O-CD 3.3Å; A280-P283 WeakPolarHBondContact O-CD 3.49Å; P283-P285 WeakPolarHBondContact O-CD 3.39Å; P283-P312 HydrophobicContact CB-CG 3.64Å; P283-P312 HydrophobicContact CG-CG 3.51Å; P283-P312 WeakPolarHBondContact O-CD 3.42Å
284N93.4Very high91.7Very high5 Ų554.7 Ų54.73%0.02728%0.283CS..  trans-108.4105.3177.7-173.919.7000110.9H153 F282 E286 E287 V291 R316H153-N284 HydrophobicContact CB-CB 3.76Å; H153-N284 VanDerWaalsContact CD2-CG 3.42Å; F282-N284 HydrophobicContact CD1-CB 3.67Å; F282-N284 HydrophobicContact CE1-CB 3.46Å; F282-N284 VanDerWaalsContact CE1-CB 3.46Å; F282-N284 HydrophobicContact CZ-CB 4.4Å; F282-N284 PolarHBondContact O-N 2.99Å; N284-E286 PolarHBondContact O-N 3.28Å; N284-E286 WeakPolarHBondContact OD1-CB 3.27Å; N284-E286 PolarHBondContact OD1-N 2.83Å; N284-E287 HydrophobicContact CB-CG 4.02Å; N284-E287 WeakPolarHBondContact O-CB 3.37Å; N284-E287 PolarHBondContact O-N 3.48Å; N284-V291 WeakPolarHBondContact O-CG2 2.92Å; N284-R316 PolarHBondContact OD1-NH1 2.84Å
285P92.6Very high91.7Very high0 Ų052.1 Ų52.10%027%0.27CS..G310 helixtrans-56.2-24.9179.9-2432.3000114.4F242 P283 E287 G288 C309 D311 Q318 I419F242-P285 HydrophobicContact CD2-CG 3.94Å; F242-P285 HydrophobicContact CE2-CB 4.06Å; F242-P285 HydrophobicContact CE2-CG 3.63Å; F242-P285 HydrophobicContact CZ-CG 4.45Å; P283-P285 WeakPolarHBondContact O-CD 3.39Å; P285-E287 PolarHBondContact O-N 2.93Å; P285-G288 PolarHBondContact O-N 2.83Å; P285-C309 HydrophobicContact CB-CB 4.32Å; P285-C309 HydrophobicContact CG-CB 4.42Å; P285-D311 HydrophobicContact CG-CB 4.17Å; P285-Q318 HydrophobicContact CB-CB 3.41Å; P285-Q318 VanDerWaalsContact CB-CB 3.41Å; P285-Q318 HydrophobicContact CB-CG 4.14Å; P285-I419 HydrophobicContact CB-CD1 3.96Å
286E87.3Confident91.7Very high87 Ų8751.2 Ų51.241%0.40726%0.262SS..G310 helixtrans-64-20.4177.2-164.9-175.2176.800113.6N284 G288 R316 I419N284-E286 PolarHBondContact O-N 3.28Å; N284-E286 WeakPolarHBondContact OD1-CB 3.27Å; N284-E286 PolarHBondContact OD1-N 2.83Å; E286-G288 PolarHBondContact O-N 3.41Å; E286-G288 VanDerWaalsContact O-N 3.12Å; E286-R316 IonicContact OE2-NH1 3.02Å; E286-I419 HydrophobicContact CB-CD1 3.79Å; E286-I419 HydrophobicContact CB-CG1 4.14Å; E286-I419 HydrophobicContact CG-CG1 4.46Å
287E84.5Confident91.8Very high96 Ų9653.4 Ų53.445%0.44927%0.269SS..G310 helixtrans-67.7-8.4176-63.7-65.813600113F282 N284 P285 V291F282-E287 HydrophobicContact CD1-CG 3.76Å; F282-E287 HydrophobicContact CE1-CG 3.92Å; F282-E287 WeakPolarHBondContact CE1-OE1 3.24Å; N284-E287 HydrophobicContact CB-CG 4.02Å; N284-E287 WeakPolarHBondContact O-CB 3.37Å; N284-E287 PolarHBondContact O-N 3.48Å; P285-E287 PolarHBondContact O-N 2.93Å; E287-V291 HydrophobicContact CB-CG1 3.89Å; E287-V291 HydrophobicContact CB-CG2 4.02Å; E287-V291 HydrophobicContact CG-CG1 4.4Å
288G87.3Confident91.9Very high11 Ų1153.9 Ų53.911%0.11327%0.272CS..THydrogen-bonded Turntrans67.8-131.2173.100000112.8P285 E286 K290 V291 L292P285-G288 PolarHBondContact O-N 2.83Å; E286-G288 PolarHBondContact O-N 3.41Å; E286-G288 VanDerWaalsContact O-N 3.12Å; G288-K290 PolarHBondContact O-N 2.93Å; G288-V291 VanDerWaalsContact O-CG2 3.31Å; G288-V291 WeakPolarHBondContact O-CG2 3.16Å; G288-V291 PolarHBondContact O-N 2.91Å; G288-V291 VanDerWaalsContact O-N 3.14Å; G288-L292 WeakPolarHBondContact O-CG 3.22Å; G288-L292 PolarHBondContact O-N 2.6Å; G288-L292 VanDerWaalsContact O-N 3.16Å
289E87.3Confident92Very high125 Ų12550 Ų5058%0.58425%0.247SC*.Hα-helixtrans-53.9-38.7-165.7-164.3-166.1146.300112.6V291 L292 K293 M296 I330E289-V291 VanDerWaalsContact C-N 3.29Å; E289-V291 PolarHBondContact O-N 3.45Å; E289-L292 PolarHBondContact O-N 2.57Å; E289-K293 WeakPolarHBondContact O-CG 3.39Å; E289-K293 PolarHBondContact O-N 3.45Å; E289-M296 HydrophobicContact CG-CE 3.92Å; E289-I330 VanDerWaalsContact CA-CD1 3.5Å; E289-I330 HydrophobicContact CB-CD1 3.79Å; E289-I330 HydrophobicContact CG-CD1 4.39Å; E289-I330 VanDerWaalsContact N-CD1 3.32Å
290K86.8Confident92.2Very high158 Ų15850 Ų5069%0.68724%0.244SC*.Hα-helixtrans-58.4-37.1-175.9-68.5-175.9178.1-172.90113.5G288G288-K290 PolarHBondContact O-N 2.93Å
291V89.6Confident92.6Very high24 Ų2455.6 Ų55.615%0.14527%0.269CS..Hα-helixtrans-98.9-20.2-177.9-620000112.7F242 N284 E287 G288 E289F242-V291 HydrophobicContact CE2-CB 4.19Å; F242-V291 HydrophobicContact CE2-CG2 4.06Å; F242-V291 HydrophobicContact CZ-CB 4.1Å; F242-V291 HydrophobicContact CZ-CG2 3.99Å; N284-V291 WeakPolarHBondContact O-CG2 2.92Å; E287-V291 HydrophobicContact CB-CG1 3.89Å; E287-V291 HydrophobicContact CB-CG2 4.02Å; E287-V291 HydrophobicContact CG-CG1 4.4Å; G288-V291 VanDerWaalsContact O-CG2 3.31Å; G288-V291 WeakPolarHBondContact O-CG2 3.16Å; G288-V291 PolarHBondContact O-N 2.91Å; G288-V291 VanDerWaalsContact O-N 3.14Å; E289-V291 VanDerWaalsContact C-N 3.29Å; E289-V291 PolarHBondContact O-N 3.45Å
292L95.3Very high93.2Very high0 Ų053.7 Ų53.70%025%0.254CS..Hα-helixtrans-86.7-6.9-178.4-67.4168.4000113.8F242 G288 E289 L294 S295 M296 V307 C309 Q318 A320 I330F242-L292 HydrophobicContact CZ-CD2 4.28Å; G288-L292 WeakPolarHBondContact O-CG 3.22Å; G288-L292 PolarHBondContact O-N 2.6Å; G288-L292 VanDerWaalsContact O-N 3.16Å; E289-L292 PolarHBondContact O-N 2.57Å; L292-L294 VanDerWaalsContact C-N 3.3Å; L292-L294 PolarHBondContact O-N 2.84Å; L292-S295 PolarHBondContact O-N 3.3Å; L292-S295 VanDerWaalsContact O-N 3.08Å; L292-M296 HydrophobicContact CB-CE 4.02Å; L292-M296 HydrophobicContact CB-CG 4.38Å; L292-M296 HydrophobicContact CB-SD 4.41Å; L292-M296 WeakPolarHBondContact O-CG 3.33Å; L292-M296 PolarHBondContact O-N 2.85Å; L292-V307 HydrophobicContact CD2-CG1 4.29Å; L292-C309 HydrophobicContact CD2-CB 4.04Å; L292-C309 WeakPolarHBondContact CD2-SG 3.39Å; L292-Q318 HydrophobicContact CD1-CG 4.06Å; L292-Q318 HydrophobicContact CD2-CG 4.43Å; L292-A320 HydrophobicContact CD1-CB 4.47Å; L292-I330 HydrophobicContact CD1-CD1 3.9Å; L292-I330 HydrophobicContact CD1-CG1 3.98Å; L292-I330 HydrophobicContact CD1-CG2 3.85Å
293K95.7Very high93.5Very high127 Ų12756.6 Ų56.655%0.55227%0.273SS*.Hα-helixtrans-49.9-47.1-175.3-65.7-169.4174.8174.60113.5E289 K297E289-K293 WeakPolarHBondContact O-CG 3.39Å; E289-K293 PolarHBondContact O-N 3.45Å; K293-K297 WeakPolarHBondContact O-CB 3.37Å; K293-K297 PolarHBondContact O-N 3.49Å
294L96.7Very high93.6Very high35 Ų3556.7 Ų56.718%0.18327%0.274CS..Hα-helixtrans-66.7-44.4-178.8-17559000110.9V267 E269 Q270 T279 L292 M296 K297 T298V267-L294 HydrophobicContact CG1-CD2 3.91Å; V267-L294 HydrophobicContact CG1-CG 3.77Å; E269-L294 HydrophobicContact CB-CD2 4.11Å; Q270-L294 HydrophobicContact CG-CD2 4.01Å; T279-L294 HydrophobicContact CG2-CD2 4.22Å; L292-L294 VanDerWaalsContact C-N 3.3Å; L292-L294 PolarHBondContact O-N 2.84Å; L294-M296 PolarHBondContact O-N 2.8Å; L294-K297 WeakPolarHBondContact O-CB 3.5Å; L294-K297 PolarHBondContact O-N 3.2Å; L294-T298 PolarHBondContact O-N 2.99Å; L294-T298 PolarHBondContact O-OG1 3.19Å
295S97.9Very high93.7Very high0 Ų062.4 Ų62.40%030%0.299CS..Hα-helixtrans-64.1-40.7178.5-44.50000112.8L292 T298 A299L292-S295 PolarHBondContact O-N 3.3Å; L292-S295 VanDerWaalsContact O-N 3.08Å; S295-T298 PolarHBondContact O-N 3.14Å; S295-A299 WeakPolarHBondContact O-CB 3.48Å; S295-A299 PolarHBondContact O-N 3.06Å
296M98Very high93.9Very high15 Ų1562.4 Ų62.47%0.07430%0.299CS..Hα-helixtrans-65-41.7174.4-69.2-175.5-61.900111.6E289 L292 L294 A299 D300 V307 W328E289-M296 HydrophobicContact CG-CE 3.92Å; L292-M296 HydrophobicContact CB-CE 4.02Å; L292-M296 HydrophobicContact CB-CG 4.38Å; L292-M296 HydrophobicContact CB-SD 4.41Å; L292-M296 WeakPolarHBondContact O-CG 3.33Å; L292-M296 PolarHBondContact O-N 2.85Å; L294-M296 PolarHBondContact O-N 2.8Å; M296-A299 WeakPolarHBondContact O-CB 3.27Å; M296-A299 PolarHBondContact O-N 2.72Å; M296-D300 VanDerWaalsContact O-CG 3.27Å; M296-D300 PolarHBondContact O-N 3.27Å; M296-V307 HydrophobicContact CG-CG2 4.49Å; M296-W328 HydrophobicContact CB-CD2 4.1Å; M296-W328 HydrophobicContact CB-CG 4.24Å; M296-W328 HydrophobicContact CB-CZ2 4.31Å; M296-W328 HydrophobicContact CG-CB 4.47Å; M296-W328 HydrophobicContact CG-CD2 3.71Å; M296-W328 HydrophobicContact CG-CE3 4.1Å; M296-W328 HydrophobicContact CG-CG 3.87Å; M296-W328 HydrophobicContact SD-CB 3.46Å; M296-W328 WeakPolarHBondContact SD-CB 3.41Å; M296-W328 HydrophobicContact SD-CD2 3.89Å; M296-W328 HydrophobicContact SD-CE3 4.43Å; M296-W328 HydrophobicContact SD-CG 3.42Å
297K97.6Very high94.4Very high112 Ų11258.3 Ų58.349%0.48728%0.279SS..Hα-helixtrans-60.6-50.1174.3-179.3-171.6167.7-165.30111.7K293 L294 A299 D300 E301K293-K297 WeakPolarHBondContact O-CB 3.37Å; K293-K297 PolarHBondContact O-N 3.49Å; L294-K297 WeakPolarHBondContact O-CB 3.5Å; L294-K297 PolarHBondContact O-N 3.2Å; K297-A299 PolarHBondContact O-N 2.93Å; K297-D300 WeakPolarHBondContact O-CB 3.47Å; K297-D300 PolarHBondContact O-N 3.42Å; K297-E301 WeakPolarHBondContact CE-OE1 3.3Å; K297-E301 IonicContact NZ-OE1 3.72Å; K297-E301 WeakPolarHBondContact O-CG 3.3Å; K297-E301 PolarHBondContact O-N 2.9Å
298T98.3Very high95.1Very high10 Ų1053.7 Ų53.76%0.06126%0.258CS..Hα-helixtrans-59.4-38.7176.9-560000111.4T238 V265 V267 L294 S295 E301 N302T238-T298 HydrophobicContact CG2-CG2 4.31Å; V265-T298 HydrophobicContact CG1-CG2 3.85Å; V267-T298 HydrophobicContact CG2-CG2 4.17Å; L294-T298 PolarHBondContact O-N 2.99Å; L294-T298 PolarHBondContact O-OG1 3.19Å; S295-T298 PolarHBondContact O-N 3.14Å; T298-E301 PolarHBondContact O-N 2.96Å; T298-N302 WeakPolarHBondContact O-CB 3.42Å; T298-N302 PolarHBondContact O-N 2.83Å; T298-N302 VanDerWaalsContact O-N 3.15Å; T298-N302 PolarHBondContact O-ND2 3.08Å
299A97.8Very high95.6Very high0 Ų053.2 Ų53.20%025%0.253CS..Hα-helixtrans-64.8-43.5176.200000112.2T238 S295 M296 K297 N302 N303 S304 V307 W328T238-A299 HydrophobicContact CG2-CB 4.15Å; T238-A299 WeakPolarHBondContact OG1-CA 3.4Å; T238-A299 WeakPolarHBondContact OG1-CB 3.39Å; S295-A299 WeakPolarHBondContact O-CB 3.48Å; S295-A299 PolarHBondContact O-N 3.06Å; M296-A299 WeakPolarHBondContact O-CB 3.27Å; M296-A299 PolarHBondContact O-N 2.72Å; K297-A299 PolarHBondContact O-N 2.93Å; A299-N302 PolarHBondContact O-N 2.68Å; A299-N303 PolarHBondContact O-N 2.84Å; A299-N303 VanDerWaalsContact O-N 3.08Å; A299-S304 PolarHBondContact O-N 3.23Å; A299-V307 HydrophobicContact CB-CG2 3.61Å; A299-W328 HydrophobicContact CB-CH2 3.5Å; A299-W328 VanDerWaalsContact CB-CH2 3.5Å; A299-W328 HydrophobicContact CB-CZ2 3.6Å
300D97.4Very high96.1Very high63 Ų6347.2 Ų47.234%0.33723%0.225SC..Hα-helixtrans-60.7-44.8175.5-72.7-30.9000111.9M296 K297 N302 N303 K322 W328M296-D300 VanDerWaalsContact O-CG 3.27Å; M296-D300 PolarHBondContact O-N 3.27Å; K297-D300 WeakPolarHBondContact O-CB 3.47Å; K297-D300 PolarHBondContact O-N 3.42Å; D300-N302 VanDerWaalsContact C-N 3.26Å; D300-N302 PolarHBondContact O-N 3.18Å; D300-N303 PolarHBondContact O-N 3.16Å; D300-K322 WeakPolarHBondContact OD1-CD 3.43Å; D300-K322 WeakPolarHBondContact OD1-CE 3.3Å; D300-K322 IonicContact OD1-NZ 3.47Å; D300-K322 PolarHBondContact OD1-NZ 3.42Å; D300-W328 WeakPolarHBondContact OD1-CZ2 3.34Å; D300-W328 PolarHBondContact OD1-NE1 3.35Å; D300-W328 PolarHBondContact OD2-NE1 3.33Å
301E97.7Very high96.6Very high122 Ų12239.7 Ų39.757%0.5719%0.192SC*.Hα-helixtrans-65.3-27.3178.7-71.9171.9167.800113K297 T298K297-E301 WeakPolarHBondContact CE-OE1 3.3Å; K297-E301 IonicContact NZ-OE1 3.72Å; K297-E301 WeakPolarHBondContact O-CG 3.3Å; K297-E301 PolarHBondContact O-N 2.9Å; T298-E301 PolarHBondContact O-N 2.96Å
302N96.8Very high97Very high59 Ų5938.6 Ų38.632%0.31619%0.185SC..Hα-helixtrans-104.54.1-176.3-74.9-85000114.6K236 V265 T298 A299 D300 S304K236-N302 VanDerWaalsContact CD-O 3.24Å; K236-N302 WeakPolarHBondContact CD-O 3.14Å; K236-N302 PolarHBondContact NZ-O 2.59Å; V265-N302 HydrophobicContact CB-CB 4.37Å; V265-N302 HydrophobicContact CG1-CB 3.71Å; V265-N302 HydrophobicContact CG2-CB 3.83Å; T298-N302 WeakPolarHBondContact O-CB 3.42Å; T298-N302 PolarHBondContact O-N 2.83Å; T298-N302 VanDerWaalsContact O-N 3.15Å; T298-N302 PolarHBondContact O-ND2 3.08Å; A299-N302 PolarHBondContact O-N 2.68Å; D300-N302 VanDerWaalsContact C-N 3.26Å; D300-N302 PolarHBondContact O-N 3.18Å; N302-S304 VanDerWaalsContact C-N 3.26Å; N302-S304 PolarHBondContact O-N 2.87Å
303N93.5Very high97.1Very high139 Ų13938.6 Ų38.674%0.74319%0.185SC*.THydrogen-bonded Turntrans56.737.5-173.3-61.3-67.2000113.2A299 D300A299-N303 PolarHBondContact O-N 2.84Å; A299-N303 VanDerWaalsContact O-N 3.08Å; D300-N303 PolarHBondContact O-N 3.16Å
304S95Very high97.2Very high3 Ų332.5 Ų32.52%0.02116%0.159CC..  trans-87.3135.3171.1-179.90000110K236 L237 T238 A299 N302 I306K236-S304 PolarHBondContact O-OG 3.33Å; L237-S304 WeakPolarHBondContact CA-OG 3.33Å; T238-S304 PolarHBondContact N-OG 3.08Å; T238-S304 VanDerWaalsContact N-OG 3.07Å; T238-S304 WeakPolarHBondContact OG1-CB 3.49Å; T238-S304 PolarHBondContact OG1-OG 3.29Å; T238-S304 VanDerWaalsContact OG1-OG 3.05Å; A299-S304 PolarHBondContact O-N 3.23Å; N302-S304 VanDerWaalsContact C-N 3.26Å; N302-S304 PolarHBondContact O-N 2.87Å; S304-I306 PolarHBondContact OG-O 3.2Å
305K94Very high97.2Very high124 Ų12430.9 Ų30.954%0.53915%0.15SC..SBendtrans-91.6-9.8-179-65.7-176-179.2179.30113.3E321 K322K305-E321 WeakPolarHBondContact O-CA 3.4Å; K305-K322 PolarHBondContact O-N 3.27Å
306I97.6Very high97.1Very high0 Ų031.8 Ų31.80%015%0.154CC..EExtended strand (participates in β ladder)trans-139.6139.5-170.6-159.9165.3000110.9L237 T238 S304 F308 L319 A320 F442 F452L237-I306 HydrophobicContact CB-CG2 3.6Å; T238-I306 PolarHBondContact N-O 3.35Å; S304-I306 PolarHBondContact OG-O 3.2Å; I306-F308 HydrophobicContact CD1-CD1 4.37Å; I306-F308 HydrophobicContact CD1-CE1 3.37Å; I306-F308 HydrophobicContact CD1-CZ 3.7Å; I306-F308 HydrophobicContact CG1-CD1 4.09Å; I306-F308 HydrophobicContact CG1-CE1 3.56Å; I306-F308 HydrophobicContact CG1-CZ 4.23Å; I306-L319 HydrophobicContact CD1-CD1 3.52Å; I306-L319 HydrophobicContact CG1-CD1 3.47Å; I306-L319 VanDerWaalsContact CG1-CD1 3.47Å; I306-A320 WeakPolarHBondContact CA-O 3.44Å; I306-F442 HydrophobicContact CB-CE2 4.29Å; I306-F442 HydrophobicContact CB-CZ 4.36Å; I306-F442 HydrophobicContact CD1-CB 4.07Å; I306-F442 HydrophobicContact CD1-CD1 4.48Å; I306-F442 HydrophobicContact CD1-CD2 3.64Å; I306-F442 HydrophobicContact CD1-CE2 4.18Å; I306-F442 HydrophobicContact CD1-CG 3.81Å; I306-F442 HydrophobicContact CG2-CD1 4.09Å; I306-F442 HydrophobicContact CG2-CE1 3.82Å; I306-F442 HydrophobicContact CG2-CE2 4.26Å; I306-F442 HydrophobicContact CG2-CG 4.41Å; I306-F442 HydrophobicContact CG2-CZ 3.91Å; I306-F452 HydrophobicContact CD1-CD2 3.89Å; I306-F452 HydrophobicContact CD1-CE2 3.38Å; I306-F452 HydrophobicContact CD1-CZ 4.38Å
307V98.4Very high97.1Very high1 Ų131 Ų311%0.00615%0.15CC..EExtended strand (participates in β ladder)trans-119.8125.2177.1168.10000108.4T238 L292 M296 A299 A320 W328T238-V307 HydrophobicContact CG2-CG2 4.35Å; T238-V307 CarbonylContact O-C 3.48Å; T238-V307 WeakPolarHBondContact O-CA 3.41Å; L292-V307 HydrophobicContact CD2-CG1 4.29Å; M296-V307 HydrophobicContact CG-CG2 4.49Å; A299-V307 HydrophobicContact CB-CG2 3.61Å; V307-A320 HydrophobicContact CB-CB 4.26Å; V307-A320 PolarHBondContact N-O 3.38Å; V307-A320 PolarHBondContact O-N 2.92Å; V307-W328 HydrophobicContact CB-CZ3 4.23Å; V307-W328 HydrophobicContact CG2-CH2 3.63Å; V307-W328 HydrophobicContact CG2-CZ2 4.42Å; V307-W328 HydrophobicContact CG2-CZ3 3.67Å
308F98.4Very high97.1Very high0 Ų026 Ų260%013%0.128CC..EExtended strand (participates in β ladder)trans-112.6131.9171.5-68.6-12.8000109.6L237 T238 F239 S240 I306 F317 Q318 L319 C435 F438 A439L237-F308 HydrophobicContact CD1-CD2 4.25Å; T238-F308 PolarHBondContact O-N 3.22Å; F239-F308 WeakPolarHBondContact CA-O 3.36Å; F239-F308 HydrophobicContact CD2-CB 4.02Å; F239-F308 WeakPolarHBondContact CD2-O 3.05Å; S240-F308 PolarHBondContact N-O 3.18Å; I306-F308 HydrophobicContact CD1-CD1 4.37Å; I306-F308 HydrophobicContact CD1-CE1 3.37Å; I306-F308 HydrophobicContact CD1-CZ 3.7Å; I306-F308 HydrophobicContact CG1-CD1 4.09Å; I306-F308 HydrophobicContact CG1-CE1 3.56Å; I306-F308 HydrophobicContact CG1-CZ 4.23Å; F308-F317 HydrophobicContact CB-CE2 3.82Å; F308-F317 HydrophobicContact CB-CZ 4.4Å; F308-F317 AromaticContact CD1-CE2 3.88Å; F308-F317 HydrophobicContact CD1-CE2 3.88Å; F308-F317 AromaticContact CD1-CZ 3.58Å; F308-F317 HydrophobicContact CD1-CZ 3.58Å; F308-F317 HydrophobicContact CD2-CE2 4.18Å; F308-F317 HydrophobicContact CD2-CZ 4.43Å; F308-F317 AromaticContact CE1-CZ 3.89Å; F308-F317 HydrophobicContact CE1-CZ 3.89Å; F308-F317 AromaticContact CG-CE2 3.7Å; F308-F317 HydrophobicContact CG-CE2 3.7Å; F308-F317 AromaticContact CG-CZ 3.9Å; F308-F317 HydrophobicContact CG-CZ 3.9Å; F308-F317 HydrophobicContact CZ-CZ 4.44Å; F308-Q318 WeakPolarHBondContact CA-O 3.41Å; F308-L319 HydrophobicContact CD1-CD1 4.01Å; F308-L319 HydrophobicContact CE1-CD1 3.58Å; F308-C435 VanDerWaalsContact CD2-SG 3.53Å; F308-F438 HydrophobicContact CE1-CB 4.27Å; F308-F438 HydrophobicContact CE2-CB 4.44Å; F308-F438 HydrophobicContact CZ-CB 3.88Å; F308-A439 HydrophobicContact CE2-CB 4Å
309C98.1Very high97.1Very high0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-131.3140.9175.4-600000111.6S240 F242 P285 L292 F317 Q318S240-C309 VanDerWaalsContact O-CA 3.27Å; S240-C309 WeakPolarHBondContact O-CA 3.46Å; F242-C309 HydrophobicContact CE1-CB 4.12Å; F242-C309 HydrophobicContact CZ-CB 4.1Å; P285-C309 HydrophobicContact CB-CB 4.32Å; P285-C309 HydrophobicContact CG-CB 4.42Å; L292-C309 HydrophobicContact CD2-CB 4.04Å; L292-C309 WeakPolarHBondContact CD2-SG 3.39Å; C309-F317 CarbonylContact O-C 3.55Å; C309-F317 WeakPolarHBondContact O-CA 3.49Å; C309-Q318 HydrophobicContact CB-CB 4.46Å; C309-Q318 PolarHBondContact N-O 3.06Å; C309-Q318 PolarHBondContact O-N 3.44Å
310T98.3Very high97.1Very high0 Ų025.5 Ų25.50%013%0.125CC..EExtended strand (participates in β ladder)trans-113.7152.716759.30000110.2F239 S240 A241 A314 R316F239-T310 HydrophobicContact CE2-CG2 4.03Å; F239-T310 HydrophobicContact CZ-CG2 4.31Å; S240-T310 PolarHBondContact O-N 3.44Å; S240-T310 VanDerWaalsContact O-N 3.09Å; A241-T310 CarbonylContact C-O 3.42Å; T310-A314 HydrophobicContact CG2-CB 4.44Å; T310-R316 VanDerWaalsContact CA-O 3.31Å; T310-R316 WeakPolarHBondContact CA-O 3.23Å; T310-R316 WeakPolarHBondContact CB-O 3.39Å
311D97.3Very high97.1Very high0 Ų022.9 Ų22.90%011%0.111CC..  trans-73170.6168.372.5-34.1000111.1S152 H153 P285 D313 A314 D315 R316S152-D311 PolarHBondContact OG-OD2 2.98Å; H153-D311 HydrophobicContact CB-CB 4.09Å; H153-D311 PolarHBondContact N-OD2 2.78Å; P285-D311 HydrophobicContact CG-CB 4.17Å; D311-D313 VanDerWaalsContact C-N 3.28Å; D311-D313 PolarHBondContact O-N 2.66Å; D311-D313 VanDerWaalsContact O-N 3.13Å; D311-D313 VanDerWaalsContact OD2-OD1 3.08Å; D311-A314 WeakPolarHBondContact O-CA 3.48Å; D311-A314 PolarHBondContact O-N 2.87Å; D311-A314 PolarHBondContact OD1-N 2.85Å; D311-D315 PolarHBondContact OD1-N 2.91Å; D311-R316 HydrophobicContact CB-CB 4.18Å; D311-R316 HydrophobicContact CB-CG 4.45Å; D311-R316 WeakPolarHBondContact OD1-CB 3.4Å; D311-R316 PolarHBondContact OD1-N 2.9Å
312P97.9Very high97Very high0 Ų020.4 Ų20.40%010%0.098CC..THydrogen-bonded Turntrans-59-28.3-168.3-30.836.3000116.8S152 G244 V245 F277 P283S152-P312 WeakPolarHBondContact O-CD 3.46Å; G244-P312 CarbonylContact C-O 3.58Å; G244-P312 WeakPolarHBondContact CA-O 3.37Å; V245-P312 WeakPolarHBondContact CG2-O 3.5Å; V245-P312 PolarHBondContact N-O 2.97Å; F277-P312 HydrophobicContact CE1-CB 4.1Å; F277-P312 HydrophobicContact CE1-CG 4.12Å; F277-P312 HydrophobicContact CE2-CG 4.34Å; F277-P312 HydrophobicContact CZ-CB 3.91Å; F277-P312 HydrophobicContact CZ-CG 3.91Å; P283-P312 HydrophobicContact CB-CG 3.64Å; P283-P312 HydrophobicContact CG-CG 3.51Å; P283-P312 WeakPolarHBondContact O-CD 3.42Å
313D97.7Very high96.9Very high0 Ų019 Ų190%09%0.09CC..THydrogen-bonded Turntrans-99.46.4175.774.7-22.6000113.5D99 P130 T131 M148 T150 S152 K162 D311 D315D99-D313 HydrophobicContact CB-CB 4.23Å; P130-D313 VanDerWaalsContact CA-O 3.29Å; P130-D313 WeakPolarHBondContact CA-O 3.42Å; T131-D313 PolarHBondContact N-O 3.05Å; T131-D313 WeakPolarHBondContact OG1-CB 3.48Å; T131-D313 VanDerWaalsContact OG1-CG 3.23Å; T131-D313 PolarHBondContact OG1-OD2 2.77Å; M148-D313 HydrophobicContact CE-CB 4.45Å; T150-D313 HydrophobicContact CG2-CB 4.33Å; T150-D313 WeakPolarHBondContact CG2-OD2 3.37Å; T150-D313 WeakPolarHBondContact OG1-CB 3.27Å; T150-D313 PolarHBondContact OG1-OD2 2.93Å; S152-D313 WeakPolarHBondContact CA-OD1 3.34Å; S152-D313 WeakPolarHBondContact CB-OD1 3.42Å; K162-D313 IonicContact NZ-OD2 2.76Å; K162-D313 PolarHBondContact NZ-OD2 3.33Å; D311-D313 VanDerWaalsContact C-N 3.28Å; D311-D313 PolarHBondContact O-N 2.66Å; D311-D313 VanDerWaalsContact O-N 3.13Å; D311-D313 VanDerWaalsContact OD2-OD1 3.08Å; D313-D315 VanDerWaalsContact C-N 3.26Å; D313-D315 PolarHBondContact O-N 2.79Å
314A98Very high96.7Very high0 Ų018.2 Ų18.20%09%0.092CC..SBendtrans54.633.1177.300000115.2P130 V245 T310 D311 G431 V432P130-A314 HydrophobicContact CB-CB 4.2Å; V245-A314 HydrophobicContact CG2-CB 4.09Å; T310-A314 HydrophobicContact CG2-CB 4.44Å; D311-A314 WeakPolarHBondContact O-CA 3.48Å; D311-A314 PolarHBondContact O-N 2.87Å; D311-A314 PolarHBondContact OD1-N 2.85Å; A314-G431 WeakPolarHBondContact O-CA 3.45Å; A314-G431 PolarHBondContact O-N 2.84Å; A314-V432 HydrophobicContact CB-CG2 4.01Å
315D96.3Very high96.4Very high1 Ų122.4 Ų22.41%0.00512%0.121CC..  trans-85.9-23170.993.126.7000111.9T131 K162 D311 D313 K429T131-D315 HydrophobicContact CG2-CB 4.02Å; K162-D315 IonicContact NZ-OD2 2.66Å; K162-D315 PolarHBondContact NZ-OD2 3.35Å; D311-D315 PolarHBondContact OD1-N 2.91Å; D313-D315 VanDerWaalsContact C-N 3.26Å; D313-D315 PolarHBondContact O-N 2.79Å; D315-K429 HydrophobicContact CB-CB 4.08Å; D315-K429 WeakPolarHBondContact O-CB 3.4Å
316R95.8Very high96.2Very high18 Ų1818.2 Ų18.27%0.06811%0.113CC..BIsolated β-bridgetrans-108.4156.8178.9-54.7-172.4175.8-175.8-12.9113.4H153 N284 E286 T310 D311 I419H153-R316 PolarHBondContact CD2-NH1 2.8Å; H153-R316 VanDerWaalsContact CD2-NH1 3.27Å; H153-R316 PolarHBondContact CE1-NH1 2.99Å; H153-R316 PolarHBondContact CE1-NH2 3.49Å; H153-R316 PolarHBondContact ND1-NH1 2.82Å; H153-R316 PolarHBondContact ND1-NH2 3.28Å; H153-R316 PolarHBondContact NE2-NH1 3.46Å; N284-R316 PolarHBondContact OD1-NH1 2.84Å; E286-R316 IonicContact OE2-NH1 3.02Å; T310-R316 VanDerWaalsContact CA-O 3.31Å; T310-R316 WeakPolarHBondContact CA-O 3.23Å; T310-R316 WeakPolarHBondContact CB-O 3.39Å; D311-R316 HydrophobicContact CB-CB 4.18Å; D311-R316 HydrophobicContact CB-CG 4.45Å; D311-R316 WeakPolarHBondContact OD1-CB 3.4Å; D311-R316 PolarHBondContact OD1-N 2.9Å; R316-I419 HydrophobicContact CB-CD1 3.88Å; R316-I419 HydrophobicContact CB-CG1 4.02Å; R316-I419 HydrophobicContact CG-CG1 4.36Å
317F97.3Very high95.9Very high0 Ų024.7 Ų24.70%014%0.144CC..EExtended strand (participates in β ladder)trans-139.6132.8177.3171.9-94.7000112.6F308 C309 L319 M336 I419 T434 C435 F438F308-F317 HydrophobicContact CB-CE2 3.82Å; F308-F317 HydrophobicContact CB-CZ 4.4Å; F308-F317 AromaticContact CD1-CE2 3.88Å; F308-F317 HydrophobicContact CD1-CE2 3.88Å; F308-F317 AromaticContact CD1-CZ 3.58Å; F308-F317 HydrophobicContact CD1-CZ 3.58Å; F308-F317 HydrophobicContact CD2-CE2 4.18Å; F308-F317 HydrophobicContact CD2-CZ 4.43Å; F308-F317 AromaticContact CE1-CZ 3.89Å; F308-F317 HydrophobicContact CE1-CZ 3.89Å; F308-F317 AromaticContact CG-CE2 3.7Å; F308-F317 HydrophobicContact CG-CE2 3.7Å; F308-F317 AromaticContact CG-CZ 3.9Å; F308-F317 HydrophobicContact CG-CZ 3.9Å; F308-F317 HydrophobicContact CZ-CZ 4.44Å; C309-F317 CarbonylContact O-C 3.55Å; C309-F317 WeakPolarHBondContact O-CA 3.49Å; F317-L319 HydrophobicContact CE1-CB 4.08Å; F317-L319 HydrophobicContact CZ-CB 4.37Å; F317-M336 HydrophobicContact CD1-SD 3.94Å; F317-M336 HydrophobicContact CE1-SD 3.96Å; F317-I419 PolarHBondContact N-O 3.07Å; F317-I419 WeakPolarHBondContact O-CB 3.45Å; F317-T434 HydrophobicContact CB-CG2 3.91Å; F317-T434 HydrophobicContact CD1-CG2 3.61Å; F317-T434 HydrophobicContact CE1-CG2 4.29Å; F317-T434 HydrophobicContact CG-CG2 3.78Å; F317-C435 HydrophobicContact CD2-CB 3.87Å; F317-C435 HydrophobicContact CE2-CB 3.82Å; F317-F438 AromaticContact CD1-CD2 3.97Å; F317-F438 HydrophobicContact CD1-CD2 3.97Å; F317-F438 HydrophobicContact CD1-CE2 4.19Å; F317-F438 HydrophobicContact CE1-CB 4.14Å; F317-F438 AromaticContact CE1-CD2 3.32Å; F317-F438 HydrophobicContact CE1-CD2 3.32Å; F317-F438 AromaticContact CE1-CE2 3.78Å; F317-F438 HydrophobicContact CE1-CE2 3.78Å; F317-F438 AromaticContact CE1-CG 3.78Å; F317-F438 HydrophobicContact CE1-CG 3.78Å; F317-F438 HydrophobicContact CZ-CB 3.83Å; F317-F438 AromaticContact CZ-CD2 3.9Å; F317-F438 HydrophobicContact CZ-CD2 3.9Å; F317-F438 AromaticContact CZ-CG 4Å; F317-F438 HydrophobicContact CZ-CG 4Å
318Q97.6Very high95.8Very high5 Ų527 Ų272%0.02315%0.152CC..EExtended strand (participates in β ladder)trans-124.6140176.1-178.359.64400112.1P285 L292 F308 C309 I330 F331 I419P285-Q318 HydrophobicContact CB-CB 3.41Å; P285-Q318 VanDerWaalsContact CB-CB 3.41Å; P285-Q318 HydrophobicContact CB-CG 4.14Å; L292-Q318 HydrophobicContact CD1-CG 4.06Å; L292-Q318 HydrophobicContact CD2-CG 4.43Å; F308-Q318 WeakPolarHBondContact CA-O 3.41Å; C309-Q318 HydrophobicContact CB-CB 4.46Å; C309-Q318 PolarHBondContact N-O 3.06Å; C309-Q318 PolarHBondContact O-N 3.44Å; Q318-I330 VanDerWaalsContact NE2-CG2 3.33Å; Q318-F331 PolarHBondContact NE2-O 2.88Å; Q318-I419 HydrophobicContact CB-CD1 4.49Å
319L98Very high95.7Very high0 Ų030.6 Ų30.60%017%0.167CC..EExtended strand (participates in β ladder)trans-113.6134176.6165.266.7000110.8I306 F308 F317 F331 M336 F438 F452I306-L319 HydrophobicContact CD1-CD1 3.52Å; I306-L319 HydrophobicContact CG1-CD1 3.47Å; I306-L319 VanDerWaalsContact CG1-CD1 3.47Å; F308-L319 HydrophobicContact CD1-CD1 4.01Å; F308-L319 HydrophobicContact CE1-CD1 3.58Å; F317-L319 HydrophobicContact CE1-CB 4.08Å; F317-L319 HydrophobicContact CZ-CB 4.37Å; L319-F331 HydrophobicContact CB-CB 4.5Å; L319-F331 HydrophobicContact CB-CD2 4.36Å; L319-F331 HydrophobicContact CD2-CB 4.31Å; L319-F331 HydrophobicContact CD2-CD1 4.3Å; L319-F331 HydrophobicContact CD2-CD2 3.56Å; L319-F331 HydrophobicContact CD2-CE2 3.9Å; L319-F331 HydrophobicContact CD2-CG 3.79Å; L319-F331 HydrophobicContact CD2-CZ 4.43Å; L319-F331 HydrophobicContact CG-CB 4.44Å; L319-F331 HydrophobicContact CG-CD2 3.51Å; L319-F331 HydrophobicContact CG-CE2 4.01Å; L319-F331 HydrophobicContact CG-CG 4.1Å; L319-F331 PolarHBondContact O-N 2.81Å; L319-F331 VanDerWaalsContact O-N 3.13Å; L319-M336 HydrophobicContact CB-CG 4.12Å; L319-M336 HydrophobicContact CB-SD 3.61Å; L319-M336 HydrophobicContact CD2-CG 4.37Å; L319-M336 PolarHBondContact N-SD 2.69Å; L319-F438 HydrophobicContact CD2-CD1 4.28Å; L319-F438 HydrophobicContact CD2-CE1 4.12Å; L319-F452 HydrophobicContact CD1-CD2 4.47Å; L319-F452 HydrophobicContact CD2-CD1 4.3Å; L319-F452 HydrophobicContact CD2-CD2 4.36Å; L319-F452 HydrophobicContact CD2-CG 4.16Å
320A98.1Very high95.5Very high0 Ų032.9 Ų32.90%018%0.178CC..EExtended strand (participates in β ladder)trans-133.2143.2161.700000110.8L292 I306 V307 W328 Y329 I330L292-A320 HydrophobicContact CD1-CB 4.47Å; I306-A320 WeakPolarHBondContact CA-O 3.44Å; V307-A320 HydrophobicContact CB-CB 4.26Å; V307-A320 PolarHBondContact N-O 3.38Å; V307-A320 PolarHBondContact O-N 2.92Å; A320-W328 HydrophobicContact CB-CE3 4.15Å; A320-Y329 CarbonylContact C-O 3.4Å; A320-Y329 VanDerWaalsContact CA-O 3.27Å; A320-Y329 WeakPolarHBondContact CA-O 3.19Å; A320-I330 HydrophobicContact CB-CG1 3.95Å
321E97.6Very high95.4Very high9 Ų933 Ų334%0.04218%0.179CC..EExtended strand (participates in β ladder)trans-129.1135-177.1-176.1-174.6-13100110.8K305 Q323 W328 Y329 F331 T451 F452 T453K305-E321 WeakPolarHBondContact O-CA 3.4Å; E321-Q323 PolarHBondContact O-N 2.98Å; E321-Q323 PolarHBondContact O-NE2 3.36Å; E321-Q323 PolarHBondContact OE2-NE2 3.27Å; E321-W328 VanDerWaalsContact C-CE3 3.49Å; E321-Y329 PolarHBondContact N-O 2.88Å; E321-Y329 PolarHBondContact O-N 3.06Å; E321-F331 HydrophobicContact CB-CE2 3.79Å; E321-F331 HydrophobicContact CB-CZ 4.48Å; E321-T451 WeakPolarHBondContact OE1-CA 3.36Å; E321-T451 WeakPolarHBondContact OE1-CB 3.45Å; E321-T451 WeakPolarHBondContact OE2-CB 3.29Å; E321-F452 PolarHBondContact OE1-N 2.81Å; E321-F452 PolarHBondContact OE2-N 2.79Å; E321-T453 PolarHBondContact OE2-N 3.29Å
322K96.5Very high95Very high70 Ų7035.7 Ų35.730%0.30420%0.197SC..EExtended strand (participates in β ladder)trans-76.8117.2173.8-167.9170.4-173.7170.30110.1D300 K305 W328D300-K322 WeakPolarHBondContact OD1-CD 3.43Å; D300-K322 WeakPolarHBondContact OD1-CE 3.3Å; D300-K322 IonicContact OD1-NZ 3.47Å; D300-K322 PolarHBondContact OD1-NZ 3.42Å; K305-K322 PolarHBondContact O-N 3.27Å; K322-W328 HydrophobicContact CB-CD2 4.21Å; K322-W328 HydrophobicContact CB-CE3 4.12Å; K322-W328 HydrophobicContact CB-CH2 3.91Å; K322-W328 HydrophobicContact CB-CZ2 4.02Å; K322-W328 HydrophobicContact CB-CZ3 3.97Å; K322-W328 HydrophobicContact CD-CZ2 4.16Å; K322-W328 HydrophobicContact CG-CZ2 4.43Å
323Q94.1Very high94.5Very high30 Ų3036 Ų3614%0.1420%0.2CC..  trans-78.3161.6-179.4-57.8-57.8-68.400111.4E321 S325 G326 Q327 T453E321-Q323 PolarHBondContact O-N 2.98Å; E321-Q323 PolarHBondContact O-NE2 3.36Å; E321-Q323 PolarHBondContact OE2-NE2 3.27Å; Q323-S325 PolarHBondContact O-N 2.98Å; Q323-S325 VanDerWaalsContact O-N 3.09Å; Q323-G326 PolarHBondContact O-N 2.89Å; Q323-Q327 WeakPolarHBondContact CB-O 3.49Å; Q323-Q327 PolarHBondContact N-O 3.04Å; Q323-T453 PolarHBondContact NE2-OG1 3.29Å; Q323-T453 PolarHBondContact OE1-OG1 3.5Å
324P88.3Confident94Very high122 Ų12237.3 Ų37.379%0.79221%0.208SC*.THydrogen-bonded Turntrans-56-25.2175.3-27.335.8000114.6G326P324-G326 PolarHBondContact O-N 3.18Å
325S89Confident93.7Very high90 Ų9038.6 Ų38.663%0.62921%0.214SC*.THydrogen-bonded Turntrans-69.8-8.5173.861.80000114.1Q323 Q327Q323-S325 PolarHBondContact O-N 2.98Å; Q323-S325 VanDerWaalsContact O-N 3.09Å; S325-Q327 VanDerWaalsContact C-N 3.26Å; S325-Q327 PolarHBondContact O-N 2.98Å; S325-Q327 PolarHBondContact OG-N 3.31Å
326G89.7Confident93.6Very high36 Ų3638.6 Ų38.637%0.37121%0.214SC..SBendtrans84.5-8.2-172.500000114.2Q323 P324Q323-G326 PolarHBondContact O-N 2.89Å; P324-G326 PolarHBondContact O-N 3.18Å
327Q92.7Very high93.4Very high137 Ų13737.7 Ų37.764%0.6421%0.21SC*.PPolyproline II helixtrans-81.9149.9176.8-61.4-60.5-47.600111.5Q323 S325Q323-Q327 WeakPolarHBondContact CB-O 3.49Å; Q323-Q327 PolarHBondContact N-O 3.04Å; S325-Q327 VanDerWaalsContact C-N 3.26Å; S325-Q327 PolarHBondContact O-N 2.98Å; S325-Q327 PolarHBondContact OG-N 3.31Å
328W95.9Very high93.2Very high48 Ų4837.9 Ų37.918%0.18221%0.211CC..EExtended strand (participates in β ladder)trans-86.1130.7174.9-74.495.8000111M296 A299 D300 V307 A320 E321 K322M296-W328 HydrophobicContact CB-CD2 4.1Å; M296-W328 HydrophobicContact CB-CG 4.24Å; M296-W328 HydrophobicContact CB-CZ2 4.31Å; M296-W328 HydrophobicContact CG-CB 4.47Å; M296-W328 HydrophobicContact CG-CD2 3.71Å; M296-W328 HydrophobicContact CG-CE3 4.1Å; M296-W328 HydrophobicContact CG-CG 3.87Å; M296-W328 HydrophobicContact SD-CB 3.46Å; M296-W328 WeakPolarHBondContact SD-CB 3.41Å; M296-W328 HydrophobicContact SD-CD2 3.89Å; M296-W328 HydrophobicContact SD-CE3 4.43Å; M296-W328 HydrophobicContact SD-CG 3.42Å; A299-W328 HydrophobicContact CB-CH2 3.5Å; A299-W328 VanDerWaalsContact CB-CH2 3.5Å; A299-W328 HydrophobicContact CB-CZ2 3.6Å; D300-W328 WeakPolarHBondContact OD1-CZ2 3.34Å; D300-W328 PolarHBondContact OD1-NE1 3.35Å; D300-W328 PolarHBondContact OD2-NE1 3.33Å; V307-W328 HydrophobicContact CB-CZ3 4.23Å; V307-W328 HydrophobicContact CG2-CH2 3.63Å; V307-W328 HydrophobicContact CG2-CZ2 4.42Å; V307-W328 HydrophobicContact CG2-CZ3 3.67Å; A320-W328 HydrophobicContact CB-CE3 4.15Å; E321-W328 VanDerWaalsContact C-CE3 3.49Å; K322-W328 HydrophobicContact CB-CD2 4.21Å; K322-W328 HydrophobicContact CB-CE3 4.12Å; K322-W328 HydrophobicContact CB-CH2 3.91Å; K322-W328 HydrophobicContact CB-CZ2 4.02Å; K322-W328 HydrophobicContact CB-CZ3 3.97Å; K322-W328 HydrophobicContact CD-CZ2 4.16Å; K322-W328 HydrophobicContact CG-CZ2 4.43Å
329Y95.6Very high93.1Very high77 Ų7737.6 Ų37.630%0.30221%0.21SC..EExtended strand (participates in β ladder)trans-103.9122169.8-168.2-87.9000109.2A320 E321 F331 E335A320-Y329 CarbonylContact C-O 3.4Å; A320-Y329 VanDerWaalsContact CA-O 3.27Å; A320-Y329 WeakPolarHBondContact CA-O 3.19Å; E321-Y329 PolarHBondContact N-O 2.88Å; E321-Y329 PolarHBondContact O-N 3.06Å; Y329-F331 HydrophobicContact CD1-CD1 4.23Å; Y329-F331 AromaticContact CD1-CD2 3.85Å; Y329-F331 HydrophobicContact CD1-CD2 3.85Å; Y329-F331 HydrophobicContact CD1-CE1 4.08Å; Y329-F331 AromaticContact CD1-CE2 3.71Å; Y329-F331 HydrophobicContact CD1-CE2 3.71Å; Y329-F331 HydrophobicContact CD1-CG 4.11Å; Y329-F331 AromaticContact CD1-CZ 3.8Å; Y329-F331 HydrophobicContact CD1-CZ 3.8Å; Y329-F331 AromaticContact CE1-CD1 4Å; Y329-F331 HydrophobicContact CE1-CD1 4Å; Y329-F331 HydrophobicContact CE1-CD2 4.38Å; Y329-F331 HydrophobicContact CE1-CE1 4.03Å; Y329-F331 HydrophobicContact CE1-CE2 4.42Å; Y329-F331 HydrophobicContact CE1-CG 4.17Å; Y329-F331 HydrophobicContact CE1-CZ 4.23Å; Y329-E335 PolarHBondContact OH-OE1 3.02Å
330I94.9Very high92.9Very high48 Ų4837.7 Ų37.725%0.24621%0.21CC..EExtended strand (participates in β ladder)trans-103118.1179.8-60.4164.5000107.3E289 L292 Q318 A320E289-I330 VanDerWaalsContact CA-CD1 3.5Å; E289-I330 HydrophobicContact CB-CD1 3.79Å; E289-I330 HydrophobicContact CG-CD1 4.39Å; E289-I330 VanDerWaalsContact N-CD1 3.32Å; L292-I330 HydrophobicContact CD1-CD1 3.9Å; L292-I330 HydrophobicContact CD1-CG1 3.98Å; L292-I330 HydrophobicContact CD1-CG2 3.85Å; Q318-I330 VanDerWaalsContact NE2-CG2 3.33Å; A320-I330 HydrophobicContact CB-CG1 3.95Å
331F94.8Very high92.6Very high2 Ų237.7 Ų37.71%0.00921%0.21CC..PPolyproline II helixtrans-77.2134.5-175.7-69.3-102.3000110.4Q318 L319 E321 Y329 E335 M336 L339 F452 L456Q318-F331 PolarHBondContact NE2-O 2.88Å; L319-F331 HydrophobicContact CB-CB 4.5Å; L319-F331 HydrophobicContact CB-CD2 4.36Å; L319-F331 HydrophobicContact CD2-CB 4.31Å; L319-F331 HydrophobicContact CD2-CD1 4.3Å; L319-F331 HydrophobicContact CD2-CD2 3.56Å; L319-F331 HydrophobicContact CD2-CE2 3.9Å; L319-F331 HydrophobicContact CD2-CG 3.79Å; L319-F331 HydrophobicContact CD2-CZ 4.43Å; L319-F331 HydrophobicContact CG-CB 4.44Å; L319-F331 HydrophobicContact CG-CD2 3.51Å; L319-F331 HydrophobicContact CG-CE2 4.01Å; L319-F331 HydrophobicContact CG-CG 4.1Å; L319-F331 PolarHBondContact O-N 2.81Å; L319-F331 VanDerWaalsContact O-N 3.13Å; E321-F331 HydrophobicContact CB-CE2 3.79Å; E321-F331 HydrophobicContact CB-CZ 4.48Å; Y329-F331 HydrophobicContact CD1-CD1 4.23Å; Y329-F331 AromaticContact CD1-CD2 3.85Å; Y329-F331 HydrophobicContact CD1-CD2 3.85Å; Y329-F331 HydrophobicContact CD1-CE1 4.08Å; Y329-F331 AromaticContact CD1-CE2 3.71Å; Y329-F331 HydrophobicContact CD1-CE2 3.71Å; Y329-F331 HydrophobicContact CD1-CG 4.11Å; Y329-F331 AromaticContact CD1-CZ 3.8Å; Y329-F331 HydrophobicContact CD1-CZ 3.8Å; Y329-F331 AromaticContact CE1-CD1 4Å; Y329-F331 HydrophobicContact CE1-CD1 4Å; Y329-F331 HydrophobicContact CE1-CD2 4.38Å; Y329-F331 HydrophobicContact CE1-CE1 4.03Å; Y329-F331 HydrophobicContact CE1-CE2 4.42Å; Y329-F331 HydrophobicContact CE1-CG 4.17Å; Y329-F331 HydrophobicContact CE1-CZ 4.23Å; F331-E335 HydrophobicContact CB-CB 4.44Å; F331-E335 HydrophobicContact CD1-CB 4.1Å; F331-M336 HydrophobicContact CB-CG 3.77Å; F331-L339 HydrophobicContact CD1-CD1 3.9Å; F331-L339 HydrophobicContact CE1-CD1 3.94Å; F331-F452 HydrophobicContact CE1-CB 3.84Å; F331-F452 HydrophobicContact CE2-CB 4.06Å; F331-F452 HydrophobicContact CZ-CB 3.34Å; F331-F452 HydrophobicContact CZ-CG 4.47Å; F331-L456 HydrophobicContact CE1-CD2 4.42Å
332S88.9Confident92.4Very high56 Ų5638.8 Ų38.839%0.39221%0.214SC..PPolyproline II helixtrans-68.8161.816964.90000111.3N334 E335 M336S332-N334 PolarHBondContact O-N 2.84Å; S332-E335 WeakPolarHBondContact CB-OE2 3.21Å; S332-E335 PolarHBondContact N-OE2 3.32Å; S332-E335 PolarHBondContact O-N 3.44Å; S332-E335 VanDerWaalsContact O-N 3.16Å; S332-E335 VanDerWaalsContact OG-CG 3.24Å; S332-E335 WeakPolarHBondContact OG-CG 3.26Å; S332-E335 PolarHBondContact OG-N 3.27Å; S332-E335 PolarHBondContact OG-OE2 3.02Å; S332-M336 PolarHBondContact O-N 3.39Å
333G87.9Confident92.3Very high6 Ų635.6 Ų35.66%0.06220%0.2CC..Hα-helixtrans-58.3-33.7175.900000113.9G337 E417 Y421G333-G337 PolarHBondContact O-N 2.87Å; G333-E417 WeakPolarHBondContact CA-O 3.31Å; G333-Y421 VanDerWaalsContact CA-OH 3.3Å; G333-Y421 WeakPolarHBondContact CA-OH 3.04Å; G333-Y421 PolarHBondContact O-OH 3.43Å; G333-Y421 VanDerWaalsContact O-OH 3.07Å
334N87.3Confident92.1Very high29 Ų2934.3 Ų34.316%0.15519%0.194CC..Hα-helixtrans-70.6-37.9176.7-73-17.7000113S332 G337 T338 W415 E417 C468S332-N334 PolarHBondContact O-N 2.84Å; N334-G337 PolarHBondContact O-N 3.36Å; N334-T338 VanDerWaalsContact O-CB 3.27Å; N334-T338 WeakPolarHBondContact O-CB 3.34Å; N334-T338 PolarHBondContact O-N 2.85Å; N334-T338 PolarHBondContact O-OG1 2.98Å; N334-W415 HydrophobicContact CB-CH2 4.5Å; N334-W415 WeakPolarHBondContact OD1-CZ3 3.27Å; N334-E417 WeakPolarHBondContact OD1-CB 3.46Å; N334-C468 WeakPolarHBondContact ND2-CB 3.01Å; N334-C468 PolarHBondContact ND2-SG 2.87Å
335E91.6Very high92.2Very high27 Ų2729 Ų2913%0.12616%0.158CC..Hα-helixtrans-68.9-41.4176.4-67.6166.9125.800111Y329 F331 S332 T338 L339 L456Y329-E335 PolarHBondContact OH-OE1 3.02Å; F331-E335 HydrophobicContact CB-CB 4.44Å; F331-E335 HydrophobicContact CD1-CB 4.1Å; S332-E335 WeakPolarHBondContact CB-OE2 3.21Å; S332-E335 PolarHBondContact N-OE2 3.32Å; S332-E335 PolarHBondContact O-N 3.44Å; S332-E335 VanDerWaalsContact O-N 3.16Å; S332-E335 VanDerWaalsContact OG-CG 3.24Å; S332-E335 WeakPolarHBondContact OG-CG 3.26Å; S332-E335 PolarHBondContact OG-N 3.27Å; S332-E335 PolarHBondContact OG-OE2 3.02Å; E335-T338 WeakPolarHBondContact O-CB 3.36Å; E335-T338 PolarHBondContact O-N 3.46Å; E335-L339 WeakPolarHBondContact O-CB 3.2Å; E335-L339 VanDerWaalsContact O-CG 3.3Å; E335-L339 WeakPolarHBondContact O-CG 3.45Å; E335-L339 PolarHBondContact O-N 3.46Å; E335-L456 HydrophobicContact CB-CD1 4.41Å; E335-L456 HydrophobicContact CB-CD2 3.93Å; E335-L456 HydrophobicContact CG-CD2 3.73Å
336M93.9Very high92.2Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-63.3-44.6172.6-77.4-170-77.600111.9F317 L319 F331 S332 T338 L339 L340 I419 Y421 F438F317-M336 HydrophobicContact CD1-SD 3.94Å; F317-M336 HydrophobicContact CE1-SD 3.96Å; L319-M336 HydrophobicContact CB-CG 4.12Å; L319-M336 HydrophobicContact CB-SD 3.61Å; L319-M336 HydrophobicContact CD2-CG 4.37Å; L319-M336 PolarHBondContact N-SD 2.69Å; F331-M336 HydrophobicContact CB-CG 3.77Å; S332-M336 PolarHBondContact O-N 3.39Å; M336-T338 VanDerWaalsContact C-N 3.29Å; M336-T338 PolarHBondContact O-N 2.88Å; M336-L339 PolarHBondContact O-N 3.36Å; M336-L340 VanDerWaalsContact O-CB 3.29Å; M336-L340 WeakPolarHBondContact O-CB 2.96Å; M336-L340 PolarHBondContact O-N 3.36Å; M336-I419 HydrophobicContact CE-CB 4.26Å; M336-I419 HydrophobicContact CE-CG2 3.53Å; M336-Y421 HydrophobicContact CB-CE1 4.32Å; M336-Y421 WeakPolarHBondContact CB-OH 3.38Å; M336-Y421 WeakPolarHBondContact CE-OH 3.32Å; M336-F438 HydrophobicContact CB-CE2 4.49Å; M336-F438 HydrophobicContact CB-CZ 4Å; M336-F438 HydrophobicContact CG-CZ 4.2Å
337G91.6Very high92.1Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-61.5-36.717500000113.1G333 N334 T341G333-G337 PolarHBondContact O-N 2.87Å; N334-G337 PolarHBondContact O-N 3.36Å; G337-T341 WeakPolarHBondContact O-CB 3.49Å; G337-T341 PolarHBondContact O-N 3.29Å; G337-T341 PolarHBondContact O-OG1 3.03Å
338T92.5Very high91.4Very high3 Ų322.6 Ų22.62%0.01811%0.107CC..Hα-helixtrans-61.8-52172.7-68.70000111.5N334 E335 M336 L340 T341 W342 F375 L456 I459 Y460N334-T338 VanDerWaalsContact O-CB 3.27Å; N334-T338 WeakPolarHBondContact O-CB 3.34Å; N334-T338 PolarHBondContact O-N 2.85Å; N334-T338 PolarHBondContact O-OG1 2.98Å; E335-T338 WeakPolarHBondContact O-CB 3.36Å; E335-T338 PolarHBondContact O-N 3.46Å; M336-T338 VanDerWaalsContact C-N 3.29Å; M336-T338 PolarHBondContact O-N 2.88Å; T338-L340 PolarHBondContact O-N 3.44Å; T338-T341 PolarHBondContact O-N 2.76Å; T338-W342 WeakPolarHBondContact O-CB 3.28Å; T338-W342 PolarHBondContact O-N 2.86Å; T338-F375 HydrophobicContact CG2-CB 4.46Å; T338-F375 HydrophobicContact CG2-CD1 3.55Å; T338-F375 HydrophobicContact CG2-CD2 3.75Å; T338-F375 HydrophobicContact CG2-CE1 3.66Å; T338-F375 HydrophobicContact CG2-CE2 3.86Å; T338-F375 HydrophobicContact CG2-CG 3.6Å; T338-F375 HydrophobicContact CG2-CZ 3.83Å; T338-F375 WeakPolarHBondContact O-CE1 3.46Å; T338-F375 WeakPolarHBondContact OG1-CB 3.46Å; T338-F375 WeakPolarHBondContact OG1-CG 3.21Å; T338-L456 HydrophobicContact CG2-CD1 3.64Å; T338-I459 HydrophobicContact CG2-CG2 3.79Å; T338-Y460 HydrophobicContact CG2-CE1 4Å
339L95.4Very high90.5Very high0 Ų024.7 Ų24.70%012%0.117CC..Hα-helixtrans-58.3-47.3176.9-75.2165.5000111.4F331 E335 M336 W342 W343 F438 F441 F452 Q455 L456 I459F331-L339 HydrophobicContact CD1-CD1 3.9Å; F331-L339 HydrophobicContact CE1-CD1 3.94Å; E335-L339 WeakPolarHBondContact O-CB 3.2Å; E335-L339 VanDerWaalsContact O-CG 3.3Å; E335-L339 WeakPolarHBondContact O-CG 3.45Å; E335-L339 PolarHBondContact O-N 3.46Å; M336-L339 PolarHBondContact O-N 3.36Å; L339-W342 PolarHBondContact O-N 3.39Å; L339-W343 VanDerWaalsContact O-CB 3.28Å; L339-W343 WeakPolarHBondContact O-CB 3.32Å; L339-W343 PolarHBondContact O-N 2.9Å; L339-F438 HydrophobicContact CB-CE1 4.06Å; L339-F438 HydrophobicContact CB-CZ 4.29Å; L339-F438 HydrophobicContact CD1-CE1 4.39Å; L339-F441 HydrophobicContact CB-CE1 3.98Å; L339-F441 HydrophobicContact CD2-CE1 4.02Å; L339-F441 HydrophobicContact CD2-CZ 4.25Å; L339-F441 WeakPolarHBondContact O-CE1 3.29Å; L339-F452 HydrophobicContact CD1-CB 4.48Å; L339-F452 HydrophobicContact CD1-CD1 3.85Å; L339-F452 HydrophobicContact CD2-CD1 4.15Å; L339-Q455 HydrophobicContact CD2-CB 4.39Å; L339-Q455 HydrophobicContact CD2-CG 4.07Å; L339-L456 HydrophobicContact CD2-CB 4.36Å; L339-L456 HydrophobicContact CD2-CD1 4.47Å; L339-L456 HydrophobicContact CG-CD1 4.21Å; L339-I459 HydrophobicContact CD2-CD1 3.96Å
340L93.9Very high89.2Confident1 Ų126.2 Ų26.21%0.00514%0.138CC..Hα-helixtrans-67.7-42.6-177.6-17062.3000112.1M336 T338 W342 W343 L344 L413 Y421 P423 T434 V437 F438M336-L340 VanDerWaalsContact O-CB 3.29Å; M336-L340 WeakPolarHBondContact O-CB 2.96Å; M336-L340 PolarHBondContact O-N 3.36Å; T338-L340 PolarHBondContact O-N 3.44Å; L340-W342 PolarHBondContact O-N 3.39Å; L340-W343 PolarHBondContact O-N 3.27Å; L340-L344 HydrophobicContact CD1-CD1 4.15Å; L340-L344 HydrophobicContact CD1-CG 4.21Å; L340-L344 HydrophobicContact CG-CD1 4.04Å; L340-L344 HydrophobicContact CG-CG 4.45Å; L340-L344 WeakPolarHBondContact O-CB 3.36Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 3.41Å; L340-L413 HydrophobicContact CB-CD2 4.21Å; L340-L413 HydrophobicContact CD2-CD1 3.52Å; L340-L413 HydrophobicContact CD2-CD2 3.96Å; L340-L413 HydrophobicContact CD2-CG 4.4Å; L340-L413 HydrophobicContact CG-CD1 4.09Å; L340-L413 HydrophobicContact CG-CD2 3.87Å; L340-Y421 HydrophobicContact CD2-CD1 3.8Å; L340-Y421 HydrophobicContact CD2-CG 3.98Å; L340-P423 HydrophobicContact CD2-CG 4.46Å; L340-T434 HydrophobicContact CD2-CG2 4.41Å; L340-V437 HydrophobicContact CD1-CB 4.31Å; L340-V437 HydrophobicContact CD1-CG1 3.47Å; L340-V437 VanDerWaalsContact CD1-CG1 3.47Å; L340-F438 HydrophobicContact CB-CE2 4.26Å; L340-F438 HydrophobicContact CB-CZ 4.2Å; L340-F438 HydrophobicContact CD1-CE2 4.23Å; L340-F438 HydrophobicContact CD2-CE2 4.47Å
341T92.4Very high87.9Confident0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-58-49.5174.6-63.70000110.4G337 T338 W343 W345 L362 F375 A376 M379 F385 W415G337-T341 WeakPolarHBondContact O-CB 3.49Å; G337-T341 PolarHBondContact O-N 3.29Å; G337-T341 PolarHBondContact O-OG1 3.03Å; T338-T341 PolarHBondContact O-N 2.76Å; T341-W343 PolarHBondContact O-N 3.24Å; T341-W345 WeakPolarHBondContact O-CB 3.39Å; T341-W345 PolarHBondContact O-N 2.92Å; T341-L362 HydrophobicContact CG2-CD1 3.48Å; T341-L362 VanDerWaalsContact CG2-CD1 3.48Å; T341-L362 HydrophobicContact CG2-CD2 3.89Å; T341-L362 HydrophobicContact CG2-CG 4.35Å; T341-F375 HydrophobicContact CG2-CE1 4.32Å; T341-A376 HydrophobicContact CG2-CB 4.18Å; T341-M379 HydrophobicContact CG2-SD 4.09Å; T341-F385 HydrophobicContact CG2-CZ 4.41Å; T341-W415 PolarHBondContact OG1-NE1 3.26Å
342W93.5Very high86.1Confident33 Ų3331.5 Ų31.513%0.12517%0.166CC..Hα-helixtrans-61.3-47.9178.4179.890000111.7T338 L339 L340 W345 Q346 M379 F441 Q455 I459 Y463T338-W342 WeakPolarHBondContact O-CB 3.28Å; T338-W342 PolarHBondContact O-N 2.86Å; L339-W342 PolarHBondContact O-N 3.39Å; L340-W342 PolarHBondContact O-N 3.39Å; W342-W345 PolarHBondContact O-N 2.83Å; W342-Q346 HydrophobicContact CD2-CG 3.84Å; W342-Q346 VanDerWaalsContact CE2-CG 3.49Å; W342-Q346 HydrophobicContact CE3-CG 4.39Å; W342-Q346 HydrophobicContact CG-CG 4.22Å; W342-Q346 HydrophobicContact CH2-CG 4.31Å; W342-Q346 HydrophobicContact CZ2-CG 3.76Å; W342-Q346 WeakPolarHBondContact O-CB 3.45Å; W342-Q346 VanDerWaalsContact O-CG 3.25Å; W342-Q346 WeakPolarHBondContact O-CG 3.36Å; W342-Q346 PolarHBondContact O-N 2.81Å; W342-M379 HydrophobicContact CB-CE 4.32Å; W342-M379 HydrophobicContact CB-SD 4.09Å; W342-M379 HydrophobicContact CG-CE 4.33Å; W342-F441 HydrophobicContact CE3-CE1 4.4Å; W342-F441 HydrophobicContact CE3-CE2 4.22Å; W342-F441 AromaticContact CE3-CZ 3.63Å; W342-F441 HydrophobicContact CE3-CZ 3.63Å; W342-F441 AromaticContact CZ3-CE2 3.71Å; W342-F441 HydrophobicContact CZ3-CE2 3.71Å; W342-F441 AromaticContact CZ3-CZ 3.6Å; W342-F441 HydrophobicContact CZ3-CZ 3.6Å; W342-Q455 VanDerWaalsContact CZ2-NE2 3.31Å; W342-I459 HydrophobicContact CB-CD1 3.7Å; W342-I459 HydrophobicContact CB-CG1 4.27Å; W342-I459 HydrophobicContact CD2-CD1 3.92Å; W342-I459 HydrophobicContact CD2-CG1 4.1Å; W342-I459 HydrophobicContact CE3-CD1 4.31Å; W342-I459 HydrophobicContact CG-CD1 3.64Å; W342-I459 HydrophobicContact CG-CG1 3.8Å; W342-Y463 AromaticContact CD1-CE2 3.73Å
343W94.2Very high84.3Confident2 Ų236.7 Ų36.71%0.00819%0.189CC..Hα-helixtrans-59.6-51.2-177.2179.7-115.3000112.9F225 H226 L339 L340 T341 W345 Q346 N347 F441 F444F225-W343 HydrophobicContact CD2-CZ2 4.36Å; F225-W343 AromaticContact CD2-NE1 3.83Å; H226-W343 AromaticContact CE1-CH2 3.25Å; H226-W343 WeakPolarHBondContact CE1-CH2 3.41Å; H226-W343 AromaticContact CE1-CZ2 3.79Å; H226-W343 AromaticContact ND1-CH2 3.37Å; H226-W343 WeakPolarHBondContact ND1-CH2 3.5Å; H226-W343 AromaticContact ND1-CZ2 3.52Å; L339-W343 VanDerWaalsContact O-CB 3.28Å; L339-W343 WeakPolarHBondContact O-CB 3.32Å; L339-W343 PolarHBondContact O-N 2.9Å; L340-W343 PolarHBondContact O-N 3.27Å; T341-W343 PolarHBondContact O-N 3.24Å; W343-W345 VanDerWaalsContact C-N 3.34Å; W343-W345 PolarHBondContact O-N 3.3Å; W343-Q346 PolarHBondContact O-N 2.8Å; W343-N347 WeakPolarHBondContact CZ2-ND2 3.34Å; W343-N347 WeakPolarHBondContact CZ3-ND2 3.47Å; W343-N347 PolarHBondContact O-N 2.87Å; W343-N347 VanDerWaalsContact O-N 3.13Å; W343-N347 PolarHBondContact O-ND2 3.41Å; W343-F441 HydrophobicContact CB-CD1 3.75Å; W343-F441 HydrophobicContact CB-CE1 3.73Å; W343-F441 HydrophobicContact CB-CG 4.3Å; W343-F441 HydrophobicContact CB-CZ 4.24Å; W343-F441 HydrophobicContact CD2-CB 3.89Å; W343-F441 AromaticContact CD2-CD1 3.97Å; W343-F441 HydrophobicContact CD2-CD1 3.97Å; W343-F441 AromaticContact CD2-CD2 3.65Å; W343-F441 HydrophobicContact CD2-CD2 3.65Å; W343-F441 HydrophobicContact CD2-CE1 4.41Å; W343-F441 HydrophobicContact CD2-CE2 4.13Å; W343-F441 AromaticContact CD2-CG 3.58Å; W343-F441 HydrophobicContact CD2-CG 3.58Å; W343-F441 HydrophobicContact CD2-CZ 4.49Å; W343-F441 HydrophobicContact CE3-CB 4.36Å; W343-F441 HydrophobicContact CE3-CD1 4.25Å; W343-F441 AromaticContact CE3-CD2 3.25Å; W343-F441 HydrophobicContact CE3-CD2 3.25Å; W343-F441 HydrophobicContact CE3-CE1 4.39Å; W343-F441 AromaticContact CE3-CE2 3.43Å; W343-F441 HydrophobicContact CE3-CE2 3.43Å; W343-F441 VanDerWaalsContact CE3-CE2 3.43Å; W343-F441 AromaticContact CE3-CG 3.72Å; W343-F441 HydrophobicContact CE3-CG 3.72Å; W343-F441 HydrophobicContact CE3-CZ 4.01Å; W343-F441 HydrophobicContact CG-CB 4.19Å; W343-F441 AromaticContact CG-CD1 3.78Å; W343-F441 HydrophobicContact CG-CD1 3.78Å; W343-F441 HydrophobicContact CG-CD2 4.33Å; W343-F441 HydrophobicContact CG-CE1 4.19Å; W343-F441 AromaticContact CG-CG 3.87Å; W343-F441 HydrophobicContact CG-CG 3.87Å; W343-F441 HydrophobicContact CH2-CD2 4.07Å; W343-F441 HydrophobicContact CZ2-CB 4.16Å; W343-F441 HydrophobicContact CZ2-CD2 4.42Å; W343-F441 AromaticContact CZ3-CD2 3.5Å; W343-F441 HydrophobicContact CZ3-CD2 3.5Å; W343-F441 AromaticContact CZ3-CE2 3.83Å; W343-F441 HydrophobicContact CZ3-CE2 3.83Å; W343-F441 HydrophobicContact CZ3-CG 4.25Å; W343-F444 HydrophobicContact CH2-CB 3.5Å; W343-F444 AromaticContact CH2-CD1 3.88Å; W343-F444 HydrophobicContact CH2-CD1 3.88Å; W343-F444 AromaticContact CH2-CD2 3.96Å; W343-F444 HydrophobicContact CH2-CD2 3.96Å; W343-F444 AromaticContact CH2-CG 3.53Å; W343-F444 HydrophobicContact CH2-CG 3.53Å; W343-F444 HydrophobicContact CZ2-CB 4.45Å; W343-F444 HydrophobicContact CZ3-CB 4.02Å; W343-F444 AromaticContact CZ3-CD1 3.46Å; W343-F444 HydrophobicContact CZ3-CD1 3.46Å; W343-F444 VanDerWaalsContact CZ3-CD1 3.46Å; W343-F444 HydrophobicContact CZ3-CD2 4.12Å; W343-F444 AromaticContact CZ3-CE1 3.77Å; W343-F444 HydrophobicContact CZ3-CE1 3.77Å; W343-F444 HydrophobicContact CZ3-CE2 4.38Å; W343-F444 AromaticContact CZ3-CG 3.62Å; W343-F444 HydrophobicContact CZ3-CG 3.62Å; W343-F444 HydrophobicContact CZ3-CZ 4.18Å
344L91.4Very high82.2Confident3 Ų345.8 Ų45.82%0.01623%0.227CC..Hα-helixtrans-65.6-39-177.5-67177.4000111.5F223 F225 L340 R348 L413 P423 V437F223-L344 HydrophobicContact CD1-CD2 3.98Å; F225-L344 HydrophobicContact CE2-CD2 3.93Å; F225-L344 HydrophobicContact CZ-CD2 4.3Å; L340-L344 HydrophobicContact CD1-CD1 4.15Å; L340-L344 HydrophobicContact CD1-CG 4.21Å; L340-L344 HydrophobicContact CG-CD1 4.04Å; L340-L344 HydrophobicContact CG-CG 4.45Å; L340-L344 WeakPolarHBondContact O-CB 3.36Å; L340-L344 WeakPolarHBondContact O-CG 3.44Å; L340-L344 PolarHBondContact O-N 3.41Å; L344-R348 VanDerWaalsContact O-CB 3.22Å; L344-R348 WeakPolarHBondContact O-CB 3.19Å; L344-R348 PolarHBondContact O-N 2.81Å; L344-L413 HydrophobicContact CD1-CB 3.86Å; L344-L413 HydrophobicContact CD1-CD1 4.01Å; L344-L413 HydrophobicContact CD1-CD2 4.22Å; L344-L413 HydrophobicContact CD1-CG 4.24Å; L344-P423 HydrophobicContact CD1-CB 4.22Å; L344-V437 HydrophobicContact CD2-CG1 4.1Å
345W88.6Confident80.4Confident10 Ų1047 Ų474%0.03823%0.233CC..Hα-helixtrans-66-51176.6175.8-108.7000112.5T341 W342 W343 N347 R348 K349 I360 M379 E383 F385 L412T341-W345 WeakPolarHBondContact O-CB 3.39Å; T341-W345 PolarHBondContact O-N 2.92Å; W342-W345 PolarHBondContact O-N 2.83Å; W343-W345 VanDerWaalsContact C-N 3.34Å; W343-W345 PolarHBondContact O-N 3.3Å; W345-N347 VanDerWaalsContact C-N 3.34Å; W345-N347 PolarHBondContact O-N 3.41Å; W345-R348 PolarHBondContact O-N 3.39Å; W345-R348 VanDerWaalsContact O-N 3.17Å; W345-K349 HydrophobicContact CD2-CG 4.29Å; W345-K349 HydrophobicContact CZ2-CD 4.01Å; W345-K349 HydrophobicContact CZ2-CG 3.97Å; W345-K349 PolarHBondContact O-N 2.85Å; W345-I360 HydrophobicContact CE3-CG2 4.46Å; W345-I360 HydrophobicContact CZ3-CB 4.4Å; W345-I360 HydrophobicContact CZ3-CD1 4.06Å; W345-I360 HydrophobicContact CZ3-CG2 4.03Å; W345-M379 HydrophobicContact CB-CE 3.82Å; W345-M379 HydrophobicContact CG-CE 3.77Å; W345-E383 HydrophobicContact CZ2-CB 3.91Å; W345-E383 VanDerWaalsContact NE1-CB 3.32Å; W345-E383 PolarHBondContact NE1-OE2 2.56Å; W345-F385 AromaticContact CD2-CD1 3.53Å; W345-F385 HydrophobicContact CD2-CD1 3.53Å; W345-F385 AromaticContact CD2-CE1 3.93Å; W345-F385 HydrophobicContact CD2-CE1 3.93Å; W345-F385 HydrophobicContact CD2-CG 4.4Å; W345-F385 AromaticContact CE2-CD1 3.64Å; W345-F385 HydrophobicContact CE3-CB 4.05Å; W345-F385 AromaticContact CE3-CD1 3.66Å; W345-F385 HydrophobicContact CE3-CD1 3.66Å; W345-F385 HydrophobicContact CE3-CE1 4.38Å; W345-F385 HydrophobicContact CE3-CG 4.09Å; W345-F385 HydrophobicContact CG-CD1 4.11Å; W345-F385 HydrophobicContact CG-CE1 4.01Å; W345-F385 HydrophobicContact CH2-CB 3.79Å; W345-F385 HydrophobicContact CH2-CD1 4.02Å; W345-F385 HydrophobicContact CH2-CG 4.39Å; W345-F385 HydrophobicContact CZ2-CB 4.45Å; W345-F385 AromaticContact CZ2-CD1 3.88Å; W345-F385 HydrophobicContact CZ2-CD1 3.88Å; W345-F385 HydrophobicContact CZ3-CB 3.57Å; W345-F385 AromaticContact CZ3-CD1 3.92Å; W345-F385 HydrophobicContact CZ3-CD1 3.92Å; W345-F385 HydrophobicContact CZ3-CG 4.11Å; W345-L412 HydrophobicContact CE3-CD1 4.02Å
346Q88.8Confident78.3Confident49 Ų4952.4 Ų52.423%0.22926%0.258CS..Hα-helixtrans-60.9-43.3-177.1-68.3-58.8-26.900111.8W342 W343 K349 C350 Y463W342-Q346 HydrophobicContact CD2-CG 3.84Å; W342-Q346 VanDerWaalsContact CE2-CG 3.49Å; W342-Q346 HydrophobicContact CE3-CG 4.39Å; W342-Q346 HydrophobicContact CG-CG 4.22Å; W342-Q346 HydrophobicContact CH2-CG 4.31Å; W342-Q346 HydrophobicContact CZ2-CG 3.76Å; W342-Q346 WeakPolarHBondContact O-CB 3.45Å; W342-Q346 VanDerWaalsContact O-CG 3.25Å; W342-Q346 WeakPolarHBondContact O-CG 3.36Å; W342-Q346 PolarHBondContact O-N 2.81Å; W343-Q346 PolarHBondContact O-N 2.8Å; Q346-K349 PolarHBondContact O-N 3.27Å; Q346-C350 PolarHBondContact O-N 2.91Å; Q346-C350 PolarHBondContact O-SG 3.46Å; Q346-C350 VanDerWaalsContact O-SG 3.34Å; Q346-Y463 PolarHBondContact NE2-OH 3.46Å
347N88.6Confident76Confident14 Ų1454.9 Ų54.98%0.07528%0.276CS..Hα-helixtrans-68.3-36.5177-75.9-71.7000112.7F225 H226 W343 W345 K349 C350 I351F225-N347 HydrophobicContact CB-CB 4.11Å; F225-N347 WeakPolarHBondContact CB-OD1 3.31Å; F225-N347 HydrophobicContact CD1-CB 3.73Å; F225-N347 HydrophobicContact CD2-CB 3.32Å; F225-N347 HydrophobicContact CE1-CB 3.85Å; F225-N347 HydrophobicContact CE2-CB 3.47Å; F225-N347 VanDerWaalsContact CE2-CB 3.47Å; F225-N347 HydrophobicContact CG-CB 3.43Å; F225-N347 VanDerWaalsContact CG-CB 3.43Å; F225-N347 HydrophobicContact CZ-CB 3.72Å; H226-N347 PolarHBondContact CE1-OD1 2.98Å; W343-N347 WeakPolarHBondContact CZ2-ND2 3.34Å; W343-N347 WeakPolarHBondContact CZ3-ND2 3.47Å; W343-N347 PolarHBondContact O-N 2.87Å; W343-N347 VanDerWaalsContact O-N 3.13Å; W343-N347 PolarHBondContact O-ND2 3.41Å; W345-N347 VanDerWaalsContact C-N 3.34Å; W345-N347 PolarHBondContact O-N 3.41Å; N347-K349 VanDerWaalsContact C-N 3.33Å; N347-K349 PolarHBondContact O-N 3.24Å; N347-C350 PolarHBondContact O-N 3.44Å; N347-I351 PolarHBondContact O-N 2.91Å
348R77.9Confident73.6Confident67 Ų6758.1 Ų58.125%0.25330%0.295SS..Hα-helixtrans-63.1-39.9176.2-172.463.7171.7176.8-3112L344 W345 C350 I351 N352 I360 L412L344-R348 VanDerWaalsContact O-CB 3.22Å; L344-R348 WeakPolarHBondContact O-CB 3.19Å; L344-R348 PolarHBondContact O-N 2.81Å; W345-R348 PolarHBondContact O-N 3.39Å; W345-R348 VanDerWaalsContact O-N 3.17Å; R348-C350 VanDerWaalsContact C-N 3.31Å; R348-C350 PolarHBondContact O-N 3.18Å; R348-I351 PolarHBondContact O-N 3.03Å; R348-N352 PolarHBondContact O-N 3.19Å; R348-I360 HydrophobicContact CG-CD1 4.25Å; R348-L412 HydrophobicContact CB-CD2 4.38Å; R348-L412 HydrophobicContact CG-CD2 4.05Å
349K76.9Confident71.2Confident91 Ų9160.8 Ų60.840%0.39631%0.309SS..Hα-helixtrans-57.7-43.4173.4-71-176.3111.8173.30111.7W345 Q346 N347 I351 E383W345-K349 HydrophobicContact CD2-CG 4.29Å; W345-K349 HydrophobicContact CZ2-CD 4.01Å; W345-K349 HydrophobicContact CZ2-CG 3.97Å; W345-K349 PolarHBondContact O-N 2.85Å; Q346-K349 PolarHBondContact O-N 3.27Å; N347-K349 VanDerWaalsContact C-N 3.33Å; N347-K349 PolarHBondContact O-N 3.24Å; K349-I351 PolarHBondContact O-N 3.39Å; K349-E383 IonicContact NZ-OE2 3.5Å; K349-E383 PolarHBondContact NZ-OE2 3.31Å
350C69.1Low68.8Low109 Ų10961.2 Ų61.274%0.73631%0.311SS*.Hα-helixtrans-67.8-30.1-177.6-66.30000114Q346 N347 R348Q346-C350 PolarHBondContact O-N 2.91Å; Q346-C350 PolarHBondContact O-SG 3.46Å; Q346-C350 VanDerWaalsContact O-SG 3.34Å; N347-C350 PolarHBondContact O-N 3.44Å; R348-C350 VanDerWaalsContact C-N 3.31Å; R348-C350 PolarHBondContact O-N 3.18Å
351I66.6Low66.3Low105 Ų10562.6 Ų62.654%0.53832%0.317SS..Hα-helixtrans-86.2-31.9-175.7-70.5165.2000113F225 N347 R348 K349F225-I351 HydrophobicContact CD1-CD1 3.34Å; F225-I351 HydrophobicContact CE1-CD1 3.63Å; F225-I351 HydrophobicContact CG-CD1 4.49Å; N347-I351 PolarHBondContact O-N 2.91Å; R348-I351 PolarHBondContact O-N 3.03Å; K349-I351 PolarHBondContact O-N 3.39Å
352N57.3Low63.9Low57 Ų5762.6 Ų62.631%0.30532%0.317SS..  trans-138.484.8-169.9-156.5-14.6000113.4R348 K354 L355R348-N352 PolarHBondContact O-N 3.19Å; N352-K354 PolarHBondContact O-N 2.94Å; N352-K354 VanDerWaalsContact O-N 3.08Å; N352-K354 PolarHBondContact OD1-N 2.81Å; N352-L355 WeakPolarHBondContact ND2-CD1 3.37Å
353N51.4Low61.5Low165 Ų16561 Ų6188%0.88231%0.311SS*.THydrogen-bonded Turntrans-63.6-6170.5-89-8.6000114.1
354K44.3Very low58.6Low197 Ų19761.2 Ų61.286%0.85731%0.312SS*.THydrogen-bonded Turntrans-106.6-13.6-171.6-71-173.4177.8-179.30116N352N352-K354 PolarHBondContact O-N 2.94Å; N352-K354 VanDerWaalsContact O-N 3.08Å; N352-K354 PolarHBondContact OD1-N 2.81Å
355L48.3Very low56.1Low55 Ų5561.1 Ų61.129%0.28831%0.311SS..SBendtrans-80.7121.8172-84.1167.1000108.9N352 S357 L359N352-L355 WeakPolarHBondContact ND2-CD1 3.37Å; L355-S357 PolarHBondContact O-N 3.43Å; L355-L359 HydrophobicContact CD2-CD1 4.14Å
356Q46.8Very low53.6Low139 Ų13961.2 Ų61.265%0.6531%0.313SS*.  trans-57.5133.4169.6-65.9-159.4-13.600109.3T358 L359Q356-T358 VanDerWaalsContact CB-OG1 3.27Å; Q356-T358 WeakPolarHBondContact CB-OG1 3.29Å; Q356-T358 PolarHBondContact O-N 3.49Å; Q356-T358 PolarHBondContact OE1-OG1 2.79Å; Q356-L359 PolarHBondContact O-N 2.78Å
357S46.8Very low51.2Low53 Ų5359.1 Ų59.137%0.37130%0.303SS..G310 helixtrans-53.4-21.3177.352.70000113.2L355 L359 I360L355-S357 PolarHBondContact O-N 3.43Å; S357-L359 PolarHBondContact O-N 3.06Å; S357-I360 PolarHBondContact O-N 3.33Å
358T41.2Very low48.5Very low67 Ų6758.8 Ų58.841%0.41130%0.301SS..G310 helixtrans-65.7-11.8175.654.20000115.4Q356Q356-T358 VanDerWaalsContact CB-OG1 3.27Å; Q356-T358 WeakPolarHBondContact CB-OG1 3.29Å; Q356-T358 PolarHBondContact O-N 3.49Å; Q356-T358 PolarHBondContact OE1-OG1 2.79Å
359L41.5Very low46.5Very low60 Ų6055.6 Ų55.631%0.31429%0.289SS..G310 helixtrans-102.7-1.4177.5-66174.7000113.8L355 Q356 S357 K409 V410L355-L359 HydrophobicContact CD2-CD1 4.14Å; Q356-L359 PolarHBondContact O-N 2.78Å; S357-L359 PolarHBondContact O-N 3.06Å; L359-K409 HydrophobicContact CD2-CD 3.96Å; L359-V410 PolarHBondContact O-N 3.21Å
360I45.2Very low44.3Very low8 Ų854.4 Ų54.44%0.04129%0.285CS..EExtended strand (participates in β ladder)trans-109118-174.5-55.4179.5000109.4W345 R348 S357 K386 L412W345-I360 HydrophobicContact CE3-CG2 4.46Å; W345-I360 HydrophobicContact CZ3-CB 4.4Å; W345-I360 HydrophobicContact CZ3-CD1 4.06Å; W345-I360 HydrophobicContact CZ3-CG2 4.03Å; R348-I360 HydrophobicContact CG-CD1 4.25Å; S357-I360 PolarHBondContact O-N 3.33Å; I360-K386 PolarHBondContact O-N 3.12Å; I360-L412 HydrophobicContact CG2-CD1 3.25Å; I360-L412 HydrophobicContact CG2-CD2 4.27Å; I360-L412 HydrophobicContact CG2-CG 3.5Å; I360-L412 VanDerWaalsContact CG2-CG 3.5Å
361Y42.7Very low42.4Very low30 Ų3052.3 Ų52.312%0.11827%0.265CS..EExtended strand (participates in β ladder)trans-114132.7-179.7-67.6-108.9000109K386 E388 L404 K409 V410 V411 L412Y361-K386 CarbonylContact C-O 3.51Å; Y361-K386 WeakPolarHBondContact CA-O 3.33Å; Y361-K386 HydrophobicContact CD1-CB 3.54Å; Y361-K386 HydrophobicContact CD1-CG 4.39Å; Y361-K386 HydrophobicContact CD2-CB 4.39Å; Y361-K386 HydrophobicContact CE1-CB 3.69Å; Y361-K386 HydrophobicContact CE1-CG 4.07Å; Y361-K386 HydrophobicContact CE2-CB 4.44Å; Y361-K386 HydrophobicContact CE2-CG 4.47Å; Y361-K386 HydrophobicContact CG-CB 3.94Å; Y361-E388 HydrophobicContact CD1-CG 4.31Å; Y361-E388 WeakPolarHBondContact CE1-OE1 3.23Å; Y361-L404 HydrophobicContact CD1-CD1 3.17Å; Y361-L404 HydrophobicContact CD2-CD1 4.02Å; Y361-L404 HydrophobicContact CE1-CD1 3.71Å; Y361-L404 HydrophobicContact CE1-CD2 4.38Å; Y361-L404 HydrophobicContact CG-CD1 3.34Å; Y361-K409 HydrophobicContact CD2-CB 3.66Å; Y361-K409 HydrophobicContact CD2-CD 4.46Å; Y361-K409 HydrophobicContact CD2-CG 4.07Å; Y361-K409 HydrophobicContact CE2-CB 3.69Å; Y361-K409 HydrophobicContact CE2-CD 3.63Å; Y361-K409 HydrophobicContact CE2-CG 3.57Å; Y361-V410 PolarHBondContact N-O 3.18Å; Y361-V411 CarbonylContact O-C 3.38Å; Y361-V411 WeakPolarHBondContact O-CA 3.3Å; Y361-L412 PolarHBondContact O-N 3.46Å
362L41.4Very low41.1Very low0 Ų047.4 Ų47.40%024%0.239CC..EExtended strand (participates in β ladder)trans-116.2122.4168.9-172.6142.8000107.1T341 A376 F385 K386 Y387 E388 L413T341-L362 HydrophobicContact CG2-CD1 3.48Å; T341-L362 VanDerWaalsContact CG2-CD1 3.48Å; T341-L362 HydrophobicContact CG2-CD2 3.89Å; T341-L362 HydrophobicContact CG2-CG 4.35Å; L362-A376 HydrophobicContact CD2-CB 3.68Å; L362-F385 HydrophobicContact CB-CD2 3.84Å; L362-F385 HydrophobicContact CB-CE2 3.71Å; L362-F385 HydrophobicContact CD1-CE2 4.28Å; L362-F385 HydrophobicContact CD2-CE2 4.35Å; L362-F385 HydrophobicContact CG-CE2 4.33Å; L362-K386 PolarHBondContact N-O 3.37Å; L362-Y387 WeakPolarHBondContact O-CA 3.25Å; L362-E388 PolarHBondContact O-N 2.93Å; L362-L413 HydrophobicContact CD1-CB 4.15Å; L362-L413 HydrophobicContact CG-CB 4.12Å
363F42.6Very low40.4Very low0 Ų046.8 Ų46.80%024%0.236CC..EExtended strand (participates in β ladder)trans-96.6145.7174.4-68.6-82.8000110.9E388 L397 R400 A401 L404 V411 L413 A414F363-E388 HydrophobicContact CD1-CB 3.54Å; F363-E388 WeakPolarHBondContact CD1-O 3.38Å; F363-E388 HydrophobicContact CE1-CB 3.31Å; F363-E388 HydrophobicContact CE1-CG 4.14Å; F363-E388 VanDerWaalsContact CE1-OE2 3.24Å; F363-E388 WeakPolarHBondContact CE1-OE2 3.16Å; F363-E388 HydrophobicContact CZ-CB 4.3Å; F363-L397 HydrophobicContact CB-CD2 3.7Å; F363-L397 HydrophobicContact CG-CD2 4.38Å; F363-R400 HydrophobicContact CD1-CG 4.4Å; F363-R400 HydrophobicContact CE1-CB 4.23Å; F363-R400 HydrophobicContact CE1-CG 3.37Å; F363-R400 HydrophobicContact CZ-CB 4.37Å; F363-R400 HydrophobicContact CZ-CG 3.56Å; F363-A401 HydrophobicContact CD2-CB 4.42Å; F363-A401 HydrophobicContact CE2-CB 4.21Å; F363-L404 HydrophobicContact CE1-CD1 4.21Å; F363-L404 HydrophobicContact CE2-CD1 3.57Å; F363-L404 HydrophobicContact CE2-CG 4.27Å; F363-L404 HydrophobicContact CZ-CB 4.44Å; F363-L404 HydrophobicContact CZ-CD1 3.15Å; F363-L404 HydrophobicContact CZ-CG 3.73Å; F363-V411 HydrophobicContact CD2-CB 4.48Å; F363-V411 HydrophobicContact CD2-CG1 3.47Å; F363-V411 VanDerWaalsContact CD2-CG1 3.47Å; F363-V411 HydrophobicContact CD2-CG2 4.29Å; F363-V411 HydrophobicContact CE2-CB 4.33Å; F363-V411 HydrophobicContact CE2-CG1 3.75Å; F363-V411 HydrophobicContact CE2-CG2 3.67Å; F363-L413 WeakPolarHBondContact CA-O 3.4Å; F363-L413 PolarHBondContact N-O 3.03Å; F363-L413 VanDerWaalsContact O-O 3.09Å; F363-A414 HydrophobicContact CB-CB 3.89Å; F363-A414 VanDerWaalsContact O-CA 3.26Å; F363-A414 WeakPolarHBondContact O-CA 3.18Å
364M34.2Very low41Very low7 Ų739.1 Ų39.13%0.03420%0.195CC..EExtended strand (participates in β ladder)trans-133.4140.9160.1-176.6-175.4166.500106.8V366 T374 A376 Y387 E388 W415M364-V366 HydrophobicContact CB-CG2 4.39Å; M364-V366 HydrophobicContact CE-CG1 4.45Å; M364-V366 HydrophobicContact CE-CG2 4.04Å; M364-V366 HydrophobicContact CG-CG2 4.04Å; M364-V366 HydrophobicContact SD-CG2 3.85Å; M364-T374 HydrophobicContact CE-CG2 4.06Å; M364-T374 HydrophobicContact SD-CG2 3.9Å; M364-A376 HydrophobicContact CB-CB 4.4Å; M364-A376 HydrophobicContact SD-CB 4.26Å; M364-Y387 HydrophobicContact CB-CE2 3.78Å; M364-E388 PolarHBondContact N-O 3.18Å; M364-W415 CarbonylContact C-O 3.52Å; M364-W415 WeakPolarHBondContact CA-O 3.3Å; M364-W415 HydrophobicContact CE-CE3 4.33Å; M364-W415 HydrophobicContact CE-CH2 3.26Å; M364-W415 HydrophobicContact CE-CZ2 3.59Å; M364-W415 HydrophobicContact CE-CZ3 3.67Å; M364-W415 HydrophobicContact CG-CD2 3.89Å; M364-W415 HydrophobicContact CG-CE3 4.4Å; M364-W415 HydrophobicContact CG-CG 4.33Å; M364-W415 HydrophobicContact CG-CH2 4.29Å; M364-W415 HydrophobicContact CG-CZ2 3.78Å; M364-W415 HydrophobicContact SD-CD2 4.43Å; M364-W415 HydrophobicContact SD-CH2 3.62Å; M364-W415 HydrophobicContact SD-CZ2 3.21Å; M364-W415 WeakPolarHBondContact SD-CZ2 3.3Å; M364-W415 HydrophobicContact SD-CZ3 4.36Å
365I37.7Very low42.7Very low0 Ų030 Ų300%016%0.156CC..  trans-78118.8152.9-82.8162.3000105.9T390 T392 G393 F394 L397 W415 E416I365-T390 VanDerWaalsContact CG1-OG1 3.29Å; I365-T390 WeakPolarHBondContact CG1-OG1 3.32Å; I365-T392 HydrophobicContact CG2-CG2 4.38Å; I365-G393 VanDerWaalsContact CD1-C 3.47Å; I365-G393 WeakPolarHBondContact CD1-O 3.21Å; I365-F394 HydrophobicContact CD1-CD2 4.4Å; I365-L397 HydrophobicContact CB-CD1 4.07Å; I365-L397 HydrophobicContact CB-CG 4.4Å; I365-L397 HydrophobicContact CD1-CB 4.38Å; I365-L397 HydrophobicContact CD1-CD1 3.2Å; I365-L397 HydrophobicContact CD1-CD2 4.34Å; I365-L397 HydrophobicContact CD1-CG 3.36Å; I365-L397 HydrophobicContact CG1-CD1 3.42Å; I365-L397 VanDerWaalsContact CG1-CD1 3.42Å; I365-L397 HydrophobicContact CG1-CD2 3.77Å; I365-L397 HydrophobicContact CG1-CG 3.34Å; I365-W415 PolarHBondContact N-O 3.2Å; I365-E416 HydrophobicContact CB-CB 4Å; I365-E416 HydrophobicContact CD1-CB 4.38Å; I365-E416 HydrophobicContact CG2-CB 4.22Å
366V35.7Very low44.3Very low12 Ų1227.4 Ų27.47%0.07314%0.142CC..  trans-108.4143.6158.9-156.60000106.2M364 Q368 T374 Y387 E389M364-V366 HydrophobicContact CB-CG2 4.39Å; M364-V366 HydrophobicContact CE-CG1 4.45Å; M364-V366 HydrophobicContact CE-CG2 4.04Å; M364-V366 HydrophobicContact CG-CG2 4.04Å; M364-V366 HydrophobicContact SD-CG2 3.85Å; V366-Q368 HydrophobicContact CB-CB 4.48Å; V366-Q368 WeakPolarHBondContact CB-O 3.37Å; V366-Q368 HydrophobicContact CG1-CB 3.65Å; V366-Q368 HydrophobicContact CG1-CG 3.83Å; V366-Q368 VanDerWaalsContact CG1-N 3.35Å; V366-Q368 WeakPolarHBondContact CG1-O 3.44Å; V366-Q368 PolarHBondContact O-N 2.73Å; V366-T374 HydrophobicContact CB-CG2 3.99Å; V366-T374 HydrophobicContact CG1-CG2 3.39Å; V366-T374 HydrophobicContact CG2-CG2 3.33Å; V366-Y387 WeakPolarHBondContact CG2-OH 3.41Å; V366-E389 HydrophobicContact CG2-CG 4.14Å; V366-E389 VanDerWaalsContact CG2-OE1 3.27Å; V366-E389 WeakPolarHBondContact CG2-OE1 3.29Å
367L39.1Very low45.9Very low6 Ų621.7 Ų21.73%0.03112%0.115CC..SBendtrans-68.818.9156.7-72.4132.9000112.7T392 E417 T547 Y560L367-T392 HydrophobicContact CD2-CG2 4.27Å; L367-T392 WeakPolarHBondContact CD2-OG1 3.23Å; L367-E417 WeakPolarHBondContact CD1-OE1 3.34Å; L367-T547 WeakPolarHBondContact O-CB 3.17Å; L367-T547 WeakPolarHBondContact O-CG2 3.33Å; L367-T547 PolarHBondContact O-OG1 3.15Å; L367-Y560 HydrophobicContact CB-CD1 4.37Å; L367-Y560 HydrophobicContact CB-CD2 4.04Å; L367-Y560 HydrophobicContact CB-CE2 4.18Å; L367-Y560 HydrophobicContact CB-CG 4.15Å; L367-Y560 HydrophobicContact CD1-CD1 3.76Å; L367-Y560 HydrophobicContact CD1-CD2 4.43Å; L367-Y560 HydrophobicContact CD1-CE1 3.27Å; L367-Y560 HydrophobicContact CD1-CE2 4Å; L367-Y560 HydrophobicContact CD1-CG 4.32Å; L367-Y560 HydrophobicContact CD2-CD2 4.4Å; L367-Y560 HydrophobicContact CD2-CE1 4.48Å; L367-Y560 HydrophobicContact CD2-CE2 3.71Å; L367-Y560 HydrophobicContact CG-CE1 4.27Å; L367-Y560 HydrophobicContact CG-CE2 4.17Å
368Q33Very low47.8Very low7 Ų720.1 Ų20.13%0.03310%0.103CC..SBendtrans-161.5104.1-170.1-32-170.121.200112.1V366 V372 E389 T537 T545 T547V366-Q368 HydrophobicContact CB-CB 4.48Å; V366-Q368 WeakPolarHBondContact CB-O 3.37Å; V366-Q368 HydrophobicContact CG1-CB 3.65Å; V366-Q368 HydrophobicContact CG1-CG 3.83Å; V366-Q368 VanDerWaalsContact CG1-N 3.35Å; V366-Q368 WeakPolarHBondContact CG1-O 3.44Å; V366-Q368 PolarHBondContact O-N 2.73Å; Q368-V372 HydrophobicContact CB-CB 3.8Å; Q368-V372 HydrophobicContact CB-CG1 3.84Å; Q368-V372 HydrophobicContact CB-CG2 3.5Å; Q368-E389 VanDerWaalsContact C-OE2 3.28Å; Q368-E389 VanDerWaalsContact O-CD 3.27Å; Q368-T537 HydrophobicContact CB-CG2 4.23Å; Q368-T545 VanDerWaalsContact OE1-CB 3.24Å; Q368-T545 PolarHBondContact OE1-OG1 2.77Å; Q368-T547 WeakPolarHBondContact CG-OG1 3.21Å
369R35.7Very low50Low0 Ų016.9 Ų16.90%08%0.083CC..  trans68125.7131.5-68.3179.9129.5-131.5-12.8117.3E371 V372 E389 Y508 R510 D517 S519 T537 T539R369-E371 PolarHBondContact NH1-O 2.92Å; R369-E371 PolarHBondContact O-N 2.87Å; R369-V372 HydrophobicContact CB-CB 3.86Å; R369-V372 HydrophobicContact CB-CG2 3.42Å; R369-V372 VanDerWaalsContact CB-CG2 3.42Å; R369-V372 VanDerWaalsContact CB-N 3.31Å; R369-V372 HydrophobicContact CG-CG2 3.76Å; R369-V372 PolarHBondContact O-N 3.39Å; R369-E389 WeakPolarHBondContact CA-OE2 3.23Å; R369-E389 PolarHBondContact N-OE2 2.83Å; R369-Y508 VanDerWaalsContact NH1-CB 3.29Å; R369-Y508 VanDerWaalsContact NH1-CD2 3.26Å; R369-R510 VanDerWaalsContact CA-CZ 3.41Å; R369-R510 HydrophobicContact CG-CB 4.39Å; R369-R510 VanDerWaalsContact CG-CZ 3.45Å; R369-R510 VanDerWaalsContact N-CZ 3.26Å; R369-R510 VanDerWaalsContact N-NH1 3.15Å; R369-D517 IonicContact CZ-OD1 2.66Å; R369-D517 IonicContact NH2-OD1 2.89Å; R369-D517 PolarHBondContact NH2-OD1 2.72Å; R369-S519 PolarHBondContact NH2-OG 2.84Å; R369-S519 VanDerWaalsContact NH2-OG 3.13Å; R369-T537 HydrophobicContact CG-CG2 3.74Å; R369-T539 WeakPolarHBondContact CD-OG1 3.36Å; R369-T539 PolarHBondContact NE-OG1 3.32Å; R369-T539 PolarHBondContact NH1-OG1 3.28Å
370E29.7Very low52.1Low66 Ų6614.4 Ų14.431%0.3087%0.072SC..THydrogen-bonded Turntrans-50.7-18.6157-92.9179.6-14100113.6K377 E389 Y520 V526E370-K377 WeakPolarHBondContact O-CE 3.38Å; E370-E389 PolarHBondContact N-OE2 3.15Å; E370-E389 VanDerWaalsContact N-OE2 3.13Å; E370-Y520 WeakPolarHBondContact CB-OH 3.16Å; E370-Y520 VanDerWaalsContact CD-OH 3.29Å; E370-Y520 PolarHBondContact OE2-OH 2.81Å; E370-V526 VanDerWaalsContact OE1-CB 3.31Å; E370-V526 WeakPolarHBondContact OE1-CB 3.43Å; E370-V526 VanDerWaalsContact OE1-CG1 3.29Å; E370-V526 WeakPolarHBondContact OE1-CG1 3.36Å
371E28.7Very low54Low65 Ų6519.9 Ų19.930%0.30410%0.097SC..THydrogen-bonded Turntrans-126.147.7165.5-67-169.6170.600113.8R369 Y508 S519 T539R369-E371 PolarHBondContact NH1-O 2.92Å; R369-E371 PolarHBondContact O-N 2.87Å; E371-Y508 WeakPolarHBondContact OE2-CE2 3.47Å; E371-S519 VanDerWaalsContact OE2-CB 3.26Å; E371-S519 WeakPolarHBondContact OE2-CB 3.4Å; E371-T539 PolarHBondContact O-OG1 3.08Å
372V40.1Very low56.2Low1 Ų124.2 Ų24.21%0.00612%0.116CC..SBendtrans-111.5123.3152.3165.20000105Q368 R369 T374 K377 T537 T545 E562Q368-V372 HydrophobicContact CB-CB 3.8Å; Q368-V372 HydrophobicContact CB-CG1 3.84Å; Q368-V372 HydrophobicContact CB-CG2 3.5Å; R369-V372 HydrophobicContact CB-CB 3.86Å; R369-V372 HydrophobicContact CB-CG2 3.42Å; R369-V372 VanDerWaalsContact CB-CG2 3.42Å; R369-V372 VanDerWaalsContact CB-N 3.31Å; R369-V372 HydrophobicContact CG-CG2 3.76Å; R369-V372 PolarHBondContact O-N 3.39Å; V372-T374 VanDerWaalsContact C-N 3.29Å; V372-T374 PolarHBondContact O-N 3.01Å; V372-K377 WeakPolarHBondContact O-CD 3.42Å; V372-T537 HydrophobicContact CG2-CG2 3.95Å; V372-T545 HydrophobicContact CB-CG2 3.91Å; V372-T545 HydrophobicContact CG1-CG2 3.81Å; V372-T545 WeakPolarHBondContact CG1-OG1 3.48Å; V372-T545 HydrophobicContact CG2-CG2 3.28Å; V372-E562 WeakPolarHBondContact CG1-OE2 3.03Å
373D42.5Very low58.3Low45 Ų4526.2 Ų26.224%0.24113%0.126CC..  trans-70.688.7178.8-61.4-30.7000108.6K377 H466 I564D373-K377 IonicContact OD1-NZ 2.66Å; D373-K377 PolarHBondContact OD1-NZ 2.78Å; D373-H466 PolarHBondContact O-CE1 2.88Å; D373-H466 PolarHBondContact O-ND1 3.43Å; D373-I564 HydrophobicContact CB-CB 4.48Å; D373-I564 HydrophobicContact CB-CD1 3.77Å; D373-I564 HydrophobicContact CB-CG1 3.87Å; D373-I564 HydrophobicContact CB-CG2 4.17Å; D373-I564 WeakPolarHBondContact O-CD1 3.33Å; D373-I564 WeakPolarHBondContact O-CG1 3.37Å
374T64.8Low60.2Low3 Ų328.1 Ų28.12%0.01815%0.145CC..  trans-72.6162159.558.80000109.4M364 V366 V372 A376 K377 T378 Y387M364-T374 HydrophobicContact CE-CG2 4.06Å; M364-T374 HydrophobicContact SD-CG2 3.9Å; V366-T374 HydrophobicContact CB-CG2 3.99Å; V366-T374 HydrophobicContact CG1-CG2 3.39Å; V366-T374 HydrophobicContact CG2-CG2 3.33Å; V372-T374 VanDerWaalsContact C-N 3.29Å; V372-T374 PolarHBondContact O-N 3.01Å; T374-A376 PolarHBondContact O-N 3.44Å; T374-K377 PolarHBondContact O-N 3.31Å; T374-K377 VanDerWaalsContact O-N 3.07Å; T374-K377 PolarHBondContact OG1-N 3.34Å; T374-T378 PolarHBondContact O-N 3.13Å; T374-T378 PolarHBondContact O-OG1 2.65Å; T374-Y387 PolarHBondContact OG1-OH 3.11Å
375F79.6Confident62.6Low6 Ų628.1 Ų28.13%0.02615%0.145CC..Hα-helixtrans-53.9-41.6175.1176.1-92.7000111.8T338 T341 K377 T378 M379 I459 Y460 Y463 H466T338-F375 HydrophobicContact CG2-CB 4.46Å; T338-F375 HydrophobicContact CG2-CD1 3.55Å; T338-F375 HydrophobicContact CG2-CD2 3.75Å; T338-F375 HydrophobicContact CG2-CE1 3.66Å; T338-F375 HydrophobicContact CG2-CE2 3.86Å; T338-F375 HydrophobicContact CG2-CG 3.6Å; T338-F375 HydrophobicContact CG2-CZ 3.83Å; T338-F375 WeakPolarHBondContact O-CE1 3.46Å; T338-F375 WeakPolarHBondContact OG1-CB 3.46Å; T338-F375 WeakPolarHBondContact OG1-CG 3.21Å; T341-F375 HydrophobicContact CG2-CE1 4.32Å; F375-K377 PolarHBondContact O-N 3.42Å; F375-T378 PolarHBondContact O-N 3.31Å; F375-M379 HydrophobicContact CE1-CB 4.2Å; F375-M379 HydrophobicContact CE1-SD 3.68Å; F375-M379 HydrophobicContact CZ-CB 4.25Å; F375-M379 HydrophobicContact CZ-CG 4.48Å; F375-M379 HydrophobicContact CZ-SD 3.78Å; F375-M379 WeakPolarHBondContact O-CB 3.33Å; F375-M379 PolarHBondContact O-N 3.23Å; F375-I459 HydrophobicContact CD2-CG2 4.15Å; F375-I459 HydrophobicContact CE1-CG2 4.2Å; F375-I459 HydrophobicContact CE2-CG2 3.09Å; F375-I459 HydrophobicContact CZ-CG2 3.14Å; F375-Y460 HydrophobicContact CD2-CE1 4.47Å; F375-Y463 HydrophobicContact CE2-CD2 4Å; F375-Y463 HydrophobicContact CE2-CG 4.03Å; F375-Y463 HydrophobicContact CZ-CD2 4.04Å; F375-Y463 HydrophobicContact CZ-CG 4.3Å; F375-H466 PolarHBondContact N-CE1 3.12Å; F375-H466 PolarHBondContact N-ND1 3.08Å
376A81.9Confident64.8Low0 Ų033 Ų330%017%0.166CC..Hα-helixtrans-61.5-41.9178.100000112.4T341 L362 M364 T374 A380 Y387T341-A376 HydrophobicContact CG2-CB 4.18Å; L362-A376 HydrophobicContact CD2-CB 3.68Å; M364-A376 HydrophobicContact CB-CB 4.4Å; M364-A376 HydrophobicContact SD-CB 4.26Å; T374-A376 PolarHBondContact O-N 3.44Å; A376-A380 VanDerWaalsContact O-CB 3.31Å; A376-A380 WeakPolarHBondContact O-CB 3.2Å; A376-A380 PolarHBondContact O-N 2.86Å; A376-Y387 HydrophobicContact CB-CD2 3.94Å; A376-Y387 HydrophobicContact CB-CE2 3.67Å
377K79.7Confident66.9Low20 Ų2034 Ų349%0.08717%0.169CC..Hα-helixtrans-66.8-49.6175-174.1-179.1171.6-114.80112E370 V372 D373 T374 F375 M379 A380 E381 Y387E370-K377 WeakPolarHBondContact O-CE 3.38Å; V372-K377 WeakPolarHBondContact O-CD 3.42Å; D373-K377 IonicContact OD1-NZ 2.66Å; D373-K377 PolarHBondContact OD1-NZ 2.78Å; T374-K377 PolarHBondContact O-N 3.31Å; T374-K377 VanDerWaalsContact O-N 3.07Å; T374-K377 PolarHBondContact OG1-N 3.34Å; F375-K377 PolarHBondContact O-N 3.42Å; K377-M379 PolarHBondContact O-N 3.01Å; K377-A380 CarbonylContact O-C 3.57Å; K377-A380 WeakPolarHBondContact O-CA 3.45Å; K377-A380 VanDerWaalsContact O-CB 3.3Å; K377-A380 WeakPolarHBondContact O-CB 3.11Å; K377-A380 PolarHBondContact O-N 3.24Å; K377-E381 WeakPolarHBondContact CE-OE1 3.17Å; K377-E381 HydrophobicContact CG-CG 4.48Å; K377-E381 IonicContact NZ-OE1 2.85Å; K377-E381 PolarHBondContact NZ-OE1 3.15Å; K377-E381 WeakPolarHBondContact O-CG 3.32Å; K377-E381 PolarHBondContact O-N 3.02Å; K377-Y387 HydrophobicContact CB-CD1 3.78Å; K377-Y387 HydrophobicContact CB-CD2 4.43Å; K377-Y387 HydrophobicContact CB-CE1 3.75Å; K377-Y387 HydrophobicContact CB-CE2 4.4Å; K377-Y387 HydrophobicContact CB-CG 4.1Å; K377-Y387 HydrophobicContact CD-CD1 4.32Å; K377-Y387 HydrophobicContact CD-CE1 4.26Å; K377-Y387 HydrophobicContact CG-CD1 3.87Å; K377-Y387 HydrophobicContact CG-CE1 4.12Å; K377-Y387 HydrophobicContact CG-CG 4.44Å
378T86Confident68.9Low19 Ų1935.4 Ų35.412%0.11718%0.176CC..Hα-helixtrans-55-42.5177.2-58.10000111.1T374 F375 K382 Y463 H466T374-T378 PolarHBondContact O-N 3.13Å; T374-T378 PolarHBondContact O-OG1 2.65Å; F375-T378 PolarHBondContact O-N 3.31Å; T378-K382 PolarHBondContact O-N 3.47Å; T378-Y463 VanDerWaalsContact CG2-O 3.27Å; T378-Y463 WeakPolarHBondContact CG2-O 3.45Å; T378-H466 PolarHBondContact OG1-CE1 3.3Å; T378-H466 PolarHBondContact OG1-NE2 2.87Å; T378-H466 VanDerWaalsContact OG1-NE2 3.16Å
379M87.4Confident70.9Confident0 Ų035.6 Ų35.60%018%0.176CC..Hα-helixtrans-68.7-40.7175-169.4171.3171.600111.6T341 W342 W345 F375 K377 K382 E383 F385 Y463T341-M379 HydrophobicContact CG2-SD 4.09Å; W342-M379 HydrophobicContact CB-CE 4.32Å; W342-M379 HydrophobicContact CB-SD 4.09Å; W342-M379 HydrophobicContact CG-CE 4.33Å; W345-M379 HydrophobicContact CB-CE 3.82Å; W345-M379 HydrophobicContact CG-CE 3.77Å; F375-M379 HydrophobicContact CE1-CB 4.2Å; F375-M379 HydrophobicContact CE1-SD 3.68Å; F375-M379 HydrophobicContact CZ-CB 4.25Å; F375-M379 HydrophobicContact CZ-CG 4.48Å; F375-M379 HydrophobicContact CZ-SD 3.78Å; F375-M379 WeakPolarHBondContact O-CB 3.33Å; F375-M379 PolarHBondContact O-N 3.23Å; K377-M379 PolarHBondContact O-N 3.01Å; M379-K382 PolarHBondContact O-N 2.84Å; M379-E383 HydrophobicContact CE-CG 4.1Å; M379-E383 HydrophobicContact CG-CG 3.89Å; M379-E383 WeakPolarHBondContact O-CB 3.39Å; M379-E383 VanDerWaalsContact O-CG 3.23Å; M379-E383 WeakPolarHBondContact O-CG 3.4Å; M379-E383 PolarHBondContact O-N 3.41Å; M379-F385 HydrophobicContact CB-CE1 4.38Å; M379-F385 HydrophobicContact CB-CZ 4.08Å; M379-F385 HydrophobicContact CE-CE1 4.48Å; M379-F385 HydrophobicContact CG-CE1 3.89Å; M379-F385 HydrophobicContact CG-CZ 4.01Å; M379-Y463 HydrophobicContact CB-CD1 4.16Å; M379-Y463 HydrophobicContact CB-CE1 4.28Å; M379-Y463 HydrophobicContact CG-CD1 4.01Å; M379-Y463 HydrophobicContact CG-CE1 3.63Å; M379-Y463 HydrophobicContact SD-CE1 4.42Å
380A86.8Confident72.9Confident8 Ų836.1 Ų36.17%0.06618%0.179CC..Hα-helixtrans-61.2-42.6176.300000112.9A376 K377 G384 F385A376-A380 VanDerWaalsContact O-CB 3.31Å; A376-A380 WeakPolarHBondContact O-CB 3.2Å; A376-A380 PolarHBondContact O-N 2.86Å; K377-A380 CarbonylContact O-C 3.57Å; K377-A380 WeakPolarHBondContact O-CA 3.45Å; K377-A380 VanDerWaalsContact O-CB 3.3Å; K377-A380 WeakPolarHBondContact O-CB 3.11Å; K377-A380 PolarHBondContact O-N 3.24Å; A380-G384 VanDerWaalsContact O-CA 3.27Å; A380-G384 WeakPolarHBondContact O-CA 3.44Å; A380-G384 PolarHBondContact O-N 3.1Å; A380-F385 VanDerWaalsContact CA-CZ 3.44Å; A380-F385 HydrophobicContact CB-CD2 3.61Å; A380-F385 HydrophobicContact CB-CE1 4.33Å; A380-F385 HydrophobicContact CB-CE2 3.34Å; A380-F385 HydrophobicContact CB-CG 4.21Å; A380-F385 HydrophobicContact CB-CZ 3.74Å; A380-F385 VanDerWaalsContact N-CZ 3.32Å
381E85.8Confident75Confident122 Ų12233.7 Ų33.757%0.5717%0.169SC*.Hα-helixtrans-64.5-41.6177.6-71.6178.3170.500111.6K377K377-E381 WeakPolarHBondContact CE-OE1 3.17Å; K377-E381 HydrophobicContact CG-CG 4.48Å; K377-E381 IonicContact NZ-OE1 2.85Å; K377-E381 PolarHBondContact NZ-OE1 3.15Å; K377-E381 WeakPolarHBondContact O-CG 3.32Å; K377-E381 PolarHBondContact O-N 3.02Å
382K87.7Confident77Confident122 Ų12232 Ų3253%0.5316%0.162SC..Hα-helixtrans-73.8-38.3178-170.3176.2-178.7-170.50113T378 M379 N462 Y463T378-K382 PolarHBondContact O-N 3.47Å; M379-K382 PolarHBondContact O-N 2.84Å; K382-N462 PolarHBondContact NZ-O 2.99Å; K382-Y463 HydrophobicContact CB-CD1 4.31Å; K382-Y463 HydrophobicContact CB-CE1 4.39Å; K382-Y463 HydrophobicContact CD-CD1 3.63Å; K382-Y463 HydrophobicContact CD-CE1 3.74Å; K382-Y463 HydrophobicContact CG-CD1 4.5Å; K382-Y463 HydrophobicContact CG-CE1 4.41Å
383E86.7Confident78.7Confident41 Ų4132.1 Ų32.119%0.19217%0.165CC..Hα-helixtrans-98.5-16.7-170.9-65-70.4144.300114.2W345 K349 M379 F385 Y463W345-E383 HydrophobicContact CZ2-CB 3.91Å; W345-E383 VanDerWaalsContact NE1-CB 3.32Å; W345-E383 PolarHBondContact NE1-OE2 2.56Å; K349-E383 IonicContact NZ-OE2 3.5Å; K349-E383 PolarHBondContact NZ-OE2 3.31Å; M379-E383 HydrophobicContact CE-CG 4.1Å; M379-E383 HydrophobicContact CG-CG 3.89Å; M379-E383 WeakPolarHBondContact O-CB 3.39Å; M379-E383 VanDerWaalsContact O-CG 3.23Å; M379-E383 WeakPolarHBondContact O-CG 3.4Å; M379-E383 PolarHBondContact O-N 3.41Å; E383-F385 HydrophobicContact CB-CD1 3.85Å; E383-F385 HydrophobicContact CB-CE1 3.87Å; E383-F385 HydrophobicContact CG-CE1 4.41Å; E383-Y463 HydrophobicContact CG-CE1 3.95Å; E383-Y463 PolarHBondContact OE1-OH 3.29Å
384G81.9Confident80.7Confident40 Ų4030.1 Ų30.141%0.41215%0.154SC..  trans85.611.5173.200000116.7A380A380-G384 VanDerWaalsContact O-CA 3.27Å; A380-G384 WeakPolarHBondContact O-CA 3.44Å; A380-G384 PolarHBondContact O-N 3.1Å
385F83.8Confident81.7Confident7 Ų731.6 Ų31.63%0.03116%0.16CC..  trans-80.1166.6169.260.2-94.4000111.8T341 W345 L362 M379 A380 E383T341-F385 HydrophobicContact CG2-CZ 4.41Å; W345-F385 AromaticContact CD2-CD1 3.53Å; W345-F385 HydrophobicContact CD2-CD1 3.53Å; W345-F385 AromaticContact CD2-CE1 3.93Å; W345-F385 HydrophobicContact CD2-CE1 3.93Å; W345-F385 HydrophobicContact CD2-CG 4.4Å; W345-F385 AromaticContact CE2-CD1 3.64Å; W345-F385 HydrophobicContact CE3-CB 4.05Å; W345-F385 AromaticContact CE3-CD1 3.66Å; W345-F385 HydrophobicContact CE3-CD1 3.66Å; W345-F385 HydrophobicContact CE3-CE1 4.38Å; W345-F385 HydrophobicContact CE3-CG 4.09Å; W345-F385 HydrophobicContact CG-CD1 4.11Å; W345-F385 HydrophobicContact CG-CE1 4.01Å; W345-F385 HydrophobicContact CH2-CB 3.79Å; W345-F385 HydrophobicContact CH2-CD1 4.02Å; W345-F385 HydrophobicContact CH2-CG 4.39Å; W345-F385 HydrophobicContact CZ2-CB 4.45Å; W345-F385 AromaticContact CZ2-CD1 3.88Å; W345-F385 HydrophobicContact CZ2-CD1 3.88Å; W345-F385 HydrophobicContact CZ3-CB 3.57Å; W345-F385 AromaticContact CZ3-CD1 3.92Å; W345-F385 HydrophobicContact CZ3-CD1 3.92Å; W345-F385 HydrophobicContact CZ3-CG 4.11Å; L362-F385 HydrophobicContact CB-CD2 3.84Å; L362-F385 HydrophobicContact CB-CE2 3.71Å; L362-F385 HydrophobicContact CD1-CE2 4.28Å; L362-F385 HydrophobicContact CD2-CE2 4.35Å; L362-F385 HydrophobicContact CG-CE2 4.33Å; M379-F385 HydrophobicContact CB-CE1 4.38Å; M379-F385 HydrophobicContact CB-CZ 4.08Å; M379-F385 HydrophobicContact CE-CE1 4.48Å; M379-F385 HydrophobicContact CG-CE1 3.89Å; M379-F385 HydrophobicContact CG-CZ 4.01Å; A380-F385 VanDerWaalsContact CA-CZ 3.44Å; A380-F385 HydrophobicContact CB-CD2 3.61Å; A380-F385 HydrophobicContact CB-CE1 4.33Å; A380-F385 HydrophobicContact CB-CE2 3.34Å; A380-F385 HydrophobicContact CB-CG 4.21Å; A380-F385 HydrophobicContact CB-CZ 3.74Å; A380-F385 VanDerWaalsContact N-CZ 3.32Å; E383-F385 HydrophobicContact CB-CD1 3.85Å; E383-F385 HydrophobicContact CB-CE1 3.87Å; E383-F385 HydrophobicContact CG-CE1 4.41Å
386K83.4Confident82Confident103 Ų10334.8 Ų34.845%0.44817%0.172SC..EExtended strand (participates in β ladder)trans-88.5133.4178.1-65.1-59-176.1-1770111.1I360 Y361 L362I360-K386 PolarHBondContact O-N 3.12Å; Y361-K386 CarbonylContact C-O 3.51Å; Y361-K386 WeakPolarHBondContact CA-O 3.33Å; Y361-K386 HydrophobicContact CD1-CB 3.54Å; Y361-K386 HydrophobicContact CD1-CG 4.39Å; Y361-K386 HydrophobicContact CD2-CB 4.39Å; Y361-K386 HydrophobicContact CE1-CB 3.69Å; Y361-K386 HydrophobicContact CE1-CG 4.07Å; Y361-K386 HydrophobicContact CE2-CB 4.44Å; Y361-K386 HydrophobicContact CE2-CG 4.47Å; Y361-K386 HydrophobicContact CG-CB 3.94Å; L362-K386 PolarHBondContact N-O 3.37Å
387Y81.6Confident82.3Confident32 Ų3234.8 Ų34.813%0.12517%0.172CC..EExtended strand (participates in β ladder)trans-113.2135.6175.7173.4-101.7000108.9L362 M364 V366 T374 A376 K377 E389L362-Y387 WeakPolarHBondContact O-CA 3.25Å; M364-Y387 HydrophobicContact CB-CE2 3.78Å; V366-Y387 WeakPolarHBondContact CG2-OH 3.41Å; T374-Y387 PolarHBondContact OG1-OH 3.11Å; A376-Y387 HydrophobicContact CB-CD2 3.94Å; A376-Y387 HydrophobicContact CB-CE2 3.67Å; K377-Y387 HydrophobicContact CB-CD1 3.78Å; K377-Y387 HydrophobicContact CB-CD2 4.43Å; K377-Y387 HydrophobicContact CB-CE1 3.75Å; K377-Y387 HydrophobicContact CB-CE2 4.4Å; K377-Y387 HydrophobicContact CB-CG 4.1Å; K377-Y387 HydrophobicContact CD-CD1 4.32Å; K377-Y387 HydrophobicContact CD-CE1 4.26Å; K377-Y387 HydrophobicContact CG-CD1 3.87Å; K377-Y387 HydrophobicContact CG-CE1 4.12Å; K377-Y387 HydrophobicContact CG-CG 4.44Å; Y387-E389 HydrophobicContact CD1-CG 4.48Å; Y387-E389 HydrophobicContact CE1-CG 3.47Å; Y387-E389 VanDerWaalsContact CE1-CG 3.47Å; Y387-E389 WeakPolarHBondContact CE1-OE1 3.35Å; Y387-E389 WeakPolarHBondContact OH-CG 3.49Å; Y387-E389 PolarHBondContact OH-OE1 2.85Å
388E79.6Confident82.9Confident37 Ų3733.8 Ų33.817%0.17317%0.168CC..EExtended strand (participates in β ladder)trans-139.5146.3175.7-75.8-169.1-162.700110.7Y361 L362 F363 M364 R400Y361-E388 HydrophobicContact CD1-CG 4.31Å; Y361-E388 WeakPolarHBondContact CE1-OE1 3.23Å; L362-E388 PolarHBondContact O-N 2.93Å; F363-E388 HydrophobicContact CD1-CB 3.54Å; F363-E388 WeakPolarHBondContact CD1-O 3.38Å; F363-E388 HydrophobicContact CE1-CB 3.31Å; F363-E388 HydrophobicContact CE1-CG 4.14Å; F363-E388 VanDerWaalsContact CE1-OE2 3.24Å; F363-E388 WeakPolarHBondContact CE1-OE2 3.16Å; F363-E388 HydrophobicContact CZ-CB 4.3Å; M364-E388 PolarHBondContact N-O 3.18Å; E388-R400 IonicContact OE1-CZ 3.81Å; E388-R400 IonicContact OE1-NE 2.8Å; E388-R400 IonicContact OE1-NH2 2.94Å; E388-R400 PolarHBondContact OE1-NH2 2.77Å; E388-R400 IonicContact OE2-CZ 2.7Å; E388-R400 IonicContact OE2-NE 3.19Å; E388-R400 PolarHBondContact OE2-NE 2.89Å; E388-R400 IonicContact OE2-NH2 3.41Å; E388-R400 PolarHBondContact OE2-NH2 2.83Å
389E74.7Confident83.2Confident11 Ų1134.5 Ų34.55%0.05117%0.17CC..EExtended strand (participates in β ladder)trans-112.4158.7179-64.5-168.217100112.5V366 Q368 R369 E370 Y387V366-E389 HydrophobicContact CG2-CG 4.14Å; V366-E389 VanDerWaalsContact CG2-OE1 3.27Å; V366-E389 WeakPolarHBondContact CG2-OE1 3.29Å; Q368-E389 VanDerWaalsContact C-OE2 3.28Å; Q368-E389 VanDerWaalsContact O-CD 3.27Å; R369-E389 WeakPolarHBondContact CA-OE2 3.23Å; R369-E389 PolarHBondContact N-OE2 2.83Å; E370-E389 PolarHBondContact N-OE2 3.15Å; E370-E389 VanDerWaalsContact N-OE2 3.13Å; Y387-E389 HydrophobicContact CD1-CG 4.48Å; Y387-E389 HydrophobicContact CE1-CG 3.47Å; Y387-E389 VanDerWaalsContact CE1-CG 3.47Å; Y387-E389 WeakPolarHBondContact CE1-OE1 3.35Å; Y387-E389 WeakPolarHBondContact OH-CG 3.49Å; Y387-E389 PolarHBondContact OH-OE1 2.85Å
390T78.2Confident83.2Confident10 Ų1037.5 Ų37.56%0.06118%0.182CC..  trans-139.2169174.169.20000110.9I365 W396 L397 R400I365-T390 VanDerWaalsContact CG1-OG1 3.29Å; I365-T390 WeakPolarHBondContact CG1-OG1 3.32Å; T390-W396 HydrophobicContact CG2-CB 4.37Å; T390-L397 HydrophobicContact CG2-CD2 4.24Å; T390-L397 PolarHBondContact OG1-N 3.07Å; T390-R400 HydrophobicContact CG2-CB 3.99Å; T390-R400 HydrophobicContact CG2-CG 4.26Å
391L73.2Confident83.4Confident16 Ų1637.1 Ų37.18%0.08418%0.179CC..  trans-61.1155.8169.2-67.9176.4000110.8W396 L512 P528 M535L391-W396 VanDerWaalsContact CB-CD1 3.47Å; L391-W396 HydrophobicContact CB-CD2 4.05Å; L391-W396 HydrophobicContact CB-CG 3.8Å; L391-W396 HydrophobicContact CD1-CD2 4.27Å; L391-W396 HydrophobicContact CD1-CH2 4.19Å; L391-W396 HydrophobicContact CD1-CZ2 3.68Å; L391-W396 VanDerWaalsContact O-CD1 3.23Å; L391-L512 HydrophobicContact CD2-CD1 3.58Å; L391-P528 HydrophobicContact CD1-CB 4.02Å; L391-P528 HydrophobicContact CD1-CG 4.23Å; L391-M535 HydrophobicContact CD2-CE 4.14Å
392T71.3Confident83.7Confident28 Ų2836.3 Ų36.317%0.17217%0.171CC..SBendtrans-59.4140.9179.7-43.80000113.1I365 L367 R549I365-T392 HydrophobicContact CG2-CG2 4.38Å; L367-T392 HydrophobicContact CD2-CG2 4.27Å; L367-T392 WeakPolarHBondContact CD2-OG1 3.23Å; T392-R549 VanDerWaalsContact CB-NH1 3.35Å; T392-R549 PolarHBondContact OG1-NH1 3.17Å
393G76.5Confident83.8Confident5 Ų534 Ų345%0.05216%0.162CC..SBendtrans102.6131.6-177.500000112.4I365 K395 W396I365-G393 VanDerWaalsContact CD1-C 3.47Å; I365-G393 WeakPolarHBondContact CD1-O 3.21Å; G393-K395 PolarHBondContact O-N 2.77Å; G393-W396 PolarHBondContact O-N 2.83Å
394F85Confident83.8Confident3 Ų332.2 Ų32.21%0.01315%0.154CC..Hα-helixtrans-56.4-19.9-178.3-98.9-116.5000115.4I365 W396 L397 A398 E416 G420 M422 D428 K429I365-F394 HydrophobicContact CD1-CD2 4.4Å; F394-W396 PolarHBondContact O-N 3.01Å; F394-L397 HydrophobicContact CD1-CD1 4.46Å; F394-L397 HydrophobicContact CD2-CD1 3.82Å; F394-L397 HydrophobicContact CE1-CD1 4.35Å; F394-L397 HydrophobicContact CE2-CD1 3.62Å; F394-L397 HydrophobicContact CG-CD1 4.23Å; F394-L397 HydrophobicContact CZ-CD1 3.9Å; F394-L397 PolarHBondContact O-N 3.24Å; F394-A398 WeakPolarHBondContact O-CB 3.42Å; F394-A398 PolarHBondContact O-N 2.82Å; F394-E416 HydrophobicContact CD2-CB 4.48Å; F394-E416 HydrophobicContact CD2-CG 4.1Å; F394-E416 WeakPolarHBondContact CD2-OE2 3.42Å; F394-E416 HydrophobicContact CE2-CB 3.95Å; F394-E416 HydrophobicContact CE2-CG 3.66Å; F394-G420 WeakPolarHBondContact CZ-O 3.26Å; F394-M422 HydrophobicContact CE1-CB 3.88Å; F394-M422 HydrophobicContact CE1-SD 4.46Å; F394-D428 WeakPolarHBondContact CB-OD1 3.25Å; F394-K429 HydrophobicContact CD1-CB 4.36Å; F394-K429 HydrophobicContact CD1-CG 3.48Å; F394-K429 VanDerWaalsContact CD1-CG 3.48Å; F394-K429 HydrophobicContact CD2-CD 3.87Å; F394-K429 HydrophobicContact CD2-CG 3.57Å; F394-K429 HydrophobicContact CE1-CB 4.05Å; F394-K429 HydrophobicContact CE1-CD 4.46Å; F394-K429 HydrophobicContact CE1-CG 3.25Å; F394-K429 HydrophobicContact CE2-CD 3.86Å; F394-K429 HydrophobicContact CE2-CG 3.44Å; F394-K429 VanDerWaalsContact CE2-CG 3.44Å; F394-K429 HydrophobicContact CG-CD 4.25Å; F394-K429 HydrophobicContact CG-CG 3.61Å; F394-K429 HydrophobicContact CZ-CB 4.35Å; F394-K429 HydrophobicContact CZ-CD 4.18Å; F394-K429 HydrophobicContact CZ-CG 3.29Å
395K85.5Confident84.2Confident34 Ų3433.9 Ų33.915%0.14815%0.148CC..Hα-helixtrans-50.9-37.4168.174.8176.7-175.71740112.8Q170 L171 V172 G393 N399Q170-K395 HydrophobicContact CB-CB 3.63Å; L171-K395 WeakPolarHBondContact O-CD 3.43Å; V172-K395 HydrophobicContact CG1-CB 3.99Å; V172-K395 HydrophobicContact CG1-CD 4.05Å; V172-K395 HydrophobicContact CG1-CG 4Å; G393-K395 PolarHBondContact O-N 2.77Å; K395-N399 WeakPolarHBondContact O-CB 3.15Å; K395-N399 PolarHBondContact O-N 2.84Å; K395-N399 PolarHBondContact O-ND2 3.35Å
396W86.1Confident84.4Confident72 Ų7237.4 Ų37.427%0.27317%0.173SC..Hα-helixtrans-81.7-44.2179.9-56.5105.6000112.1V172 T390 L391 G393 F394 R400 P528V172-W396 HydrophobicContact CG1-CD2 4.49Å; V172-W396 HydrophobicContact CG1-CE3 4.24Å; V172-W396 HydrophobicContact CG1-CZ3 4.33Å; T390-W396 HydrophobicContact CG2-CB 4.37Å; L391-W396 VanDerWaalsContact CB-CD1 3.47Å; L391-W396 HydrophobicContact CB-CD2 4.05Å; L391-W396 HydrophobicContact CB-CG 3.8Å; L391-W396 HydrophobicContact CD1-CD2 4.27Å; L391-W396 HydrophobicContact CD1-CH2 4.19Å; L391-W396 HydrophobicContact CD1-CZ2 3.68Å; L391-W396 VanDerWaalsContact O-CD1 3.23Å; G393-W396 PolarHBondContact O-N 2.83Å; F394-W396 PolarHBondContact O-N 3.01Å; W396-R400 VanDerWaalsContact O-CB 3.29Å; W396-R400 WeakPolarHBondContact O-CB 3.38Å; W396-R400 PolarHBondContact O-N 3.09Å; W396-P528 HydrophobicContact CZ3-CG 4.43Å
397L87.9Confident84.6Confident0 Ų038.2 Ų38.20%018%0.177CC..Hα-helixtrans-56.6-52.2175.5-78.6173.7000112.7F363 I365 T390 F394 R400 A401 A414F363-L397 HydrophobicContact CB-CD2 3.7Å; F363-L397 HydrophobicContact CG-CD2 4.38Å; I365-L397 HydrophobicContact CB-CD1 4.07Å; I365-L397 HydrophobicContact CB-CG 4.4Å; I365-L397 HydrophobicContact CD1-CB 4.38Å; I365-L397 HydrophobicContact CD1-CD1 3.2Å; I365-L397 HydrophobicContact CD1-CD2 4.34Å; I365-L397 HydrophobicContact CD1-CG 3.36Å; I365-L397 HydrophobicContact CG1-CD1 3.42Å; I365-L397 VanDerWaalsContact CG1-CD1 3.42Å; I365-L397 HydrophobicContact CG1-CD2 3.77Å; I365-L397 HydrophobicContact CG1-CG 3.34Å; T390-L397 HydrophobicContact CG2-CD2 4.24Å; T390-L397 PolarHBondContact OG1-N 3.07Å; F394-L397 HydrophobicContact CD1-CD1 4.46Å; F394-L397 HydrophobicContact CD2-CD1 3.82Å; F394-L397 HydrophobicContact CE1-CD1 4.35Å; F394-L397 HydrophobicContact CE2-CD1 3.62Å; F394-L397 HydrophobicContact CG-CD1 4.23Å; F394-L397 HydrophobicContact CZ-CD1 3.9Å; F394-L397 PolarHBondContact O-N 3.24Å; L397-R400 PolarHBondContact O-N 2.89Å; L397-A401 VanDerWaalsContact O-CB 3.22Å; L397-A401 WeakPolarHBondContact O-CB 3.25Å; L397-A401 PolarHBondContact O-N 3.19Å; L397-A414 HydrophobicContact CB-CB 4.11Å; L397-A414 HydrophobicContact CD1-CB 3.99Å; L397-A414 HydrophobicContact CD2-CB 4.01Å; L397-A414 HydrophobicContact CG-CB 4.25Å
398A92.3Very high84.7Confident0 Ų039.4 Ų39.40%020%0.199CC..Hα-helixtrans-68.4-41.5-173.700000111.4A169 F394 R400 A401 Y402 M422 L427A169-A398 HydrophobicContact CB-CB 3.55Å; F394-A398 WeakPolarHBondContact O-CB 3.42Å; F394-A398 PolarHBondContact O-N 2.82Å; A398-R400 VanDerWaalsContact C-N 3.33Å; A398-R400 PolarHBondContact O-N 3.29Å; A398-A401 PolarHBondContact O-N 2.65Å; A398-Y402 WeakPolarHBondContact O-CB 3.08Å; A398-Y402 PolarHBondContact O-N 2.93Å; A398-M422 HydrophobicContact CB-SD 4.48Å; A398-L427 HydrophobicContact CB-CB 4.12Å; A398-L427 HydrophobicContact CB-CD2 4.44Å; A398-L427 WeakPolarHBondContact CB-O 3.26Å
399N91.7Very high85Confident33 Ų3340.4 Ų40.418%0.17620%0.203CC..Hα-helixtrans-63-41.1174.8-84.2-78.3000111.4N167 A169 Q170 K395 Y402 E403N167-N399 PolarHBondContact ND2-OD1 2.96Å; A169-N399 HydrophobicContact CB-CB 4.5Å; A169-N399 WeakPolarHBondContact CB-ND2 3.33Å; Q170-N399 PolarHBondContact O-ND2 3.35Å; K395-N399 WeakPolarHBondContact O-CB 3.15Å; K395-N399 PolarHBondContact O-N 2.84Å; K395-N399 PolarHBondContact O-ND2 3.35Å; N399-Y402 PolarHBondContact O-N 3.44Å; N399-E403 PolarHBondContact O-N 3Å
400R88.2Confident85.4Confident63 Ų6342 Ų4224%0.23821%0.213CC..Hα-helixtrans-70.8-39.6178.2-176.155.7-174.3178.3-4.4112.5F363 E388 T390 W396 L397 A398 Y402 E403 L404F363-R400 HydrophobicContact CD1-CG 4.4Å; F363-R400 HydrophobicContact CE1-CB 4.23Å; F363-R400 HydrophobicContact CE1-CG 3.37Å; F363-R400 HydrophobicContact CZ-CB 4.37Å; F363-R400 HydrophobicContact CZ-CG 3.56Å; E388-R400 IonicContact OE1-CZ 3.81Å; E388-R400 IonicContact OE1-NE 2.8Å; E388-R400 IonicContact OE1-NH2 2.94Å; E388-R400 PolarHBondContact OE1-NH2 2.77Å; E388-R400 IonicContact OE2-CZ 2.7Å; E388-R400 IonicContact OE2-NE 3.19Å; E388-R400 PolarHBondContact OE2-NE 2.89Å; E388-R400 IonicContact OE2-NH2 3.41Å; E388-R400 PolarHBondContact OE2-NH2 2.83Å; T390-R400 HydrophobicContact CG2-CB 3.99Å; T390-R400 HydrophobicContact CG2-CG 4.26Å; W396-R400 VanDerWaalsContact O-CB 3.29Å; W396-R400 WeakPolarHBondContact O-CB 3.38Å; W396-R400 PolarHBondContact O-N 3.09Å; L397-R400 PolarHBondContact O-N 2.89Å; A398-R400 VanDerWaalsContact C-N 3.33Å; A398-R400 PolarHBondContact O-N 3.29Å; R400-Y402 VanDerWaalsContact C-N 3.3Å; R400-Y402 PolarHBondContact O-N 2.84Å; R400-E403 WeakPolarHBondContact CD-OE2 3.17Å; R400-E403 IonicContact CZ-OE2 3.35Å; R400-E403 IonicContact NE-OE2 2.86Å; R400-E403 IonicContact NH1-OE1 3.61Å; R400-E403 PolarHBondContact NH1-OE1 3.06Å; R400-E403 IonicContact NH1-OE2 2.82Å; R400-E403 PolarHBondContact NH1-OE2 3.01Å; R400-E403 PolarHBondContact O-N 2.87Å; R400-L404 PolarHBondContact O-N 2.92Å
401A90.3Very high85.8Confident0 Ų041.9 Ų41.90%021%0.212CC..Hα-helixtrans-60-41.8172.800000111.4F363 L397 A398 L404 R405 V411 M422 L427F363-A401 HydrophobicContact CD2-CB 4.42Å; F363-A401 HydrophobicContact CE2-CB 4.21Å; L397-A401 VanDerWaalsContact O-CB 3.22Å; L397-A401 WeakPolarHBondContact O-CB 3.25Å; L397-A401 PolarHBondContact O-N 3.19Å; A398-A401 PolarHBondContact O-N 2.65Å; A401-L404 PolarHBondContact O-N 3.35Å; A401-R405 WeakPolarHBondContact O-CB 3.21Å; A401-R405 WeakPolarHBondContact O-CG 3.36Å; A401-R405 PolarHBondContact O-N 2.87Å; A401-V411 HydrophobicContact CB-CG1 4Å; A401-V411 HydrophobicContact CB-CG2 4.3Å; A401-M422 HydrophobicContact CB-CE 3.7Å; A401-L427 HydrophobicContact CB-CD2 4.17Å
402Y91.8Very high86.5Confident106 Ų10641.8 Ų41.842%0.41621%0.212SC..Hα-helixtrans-61.9-46.1173.7178.6-94000112.2N167 A398 N399 R400 L404 R405 S406 L427N167-Y402 HydrophobicContact CB-CD1 3.9Å; N167-Y402 HydrophobicContact CB-CD2 3.81Å; N167-Y402 HydrophobicContact CB-CE1 3.85Å; N167-Y402 HydrophobicContact CB-CE2 3.76Å; N167-Y402 HydrophobicContact CB-CG 3.87Å; A398-Y402 WeakPolarHBondContact O-CB 3.08Å; A398-Y402 PolarHBondContact O-N 2.93Å; N399-Y402 PolarHBondContact O-N 3.44Å; R400-Y402 VanDerWaalsContact C-N 3.3Å; R400-Y402 PolarHBondContact O-N 2.84Å; Y402-L404 VanDerWaalsContact C-N 3.31Å; Y402-L404 PolarHBondContact O-N 3.39Å; Y402-R405 PolarHBondContact O-N 3.23Å; Y402-S406 WeakPolarHBondContact O-CB 3.24Å; Y402-S406 PolarHBondContact O-N 3.17Å; Y402-S406 PolarHBondContact O-OG 3.31Å; Y402-L427 HydrophobicContact CD2-CD1 3.86Å; Y402-L427 HydrophobicContact CG-CD1 4.43Å
403E89.9Confident87.4Confident73 Ų7340.4 Ų40.434%0.34120%0.204SC..Hα-helixtrans-60-40177.1-168.1-161.9157.500112.4N399 R400 S406 K407N399-E403 PolarHBondContact O-N 3Å; R400-E403 WeakPolarHBondContact CD-OE2 3.17Å; R400-E403 IonicContact CZ-OE2 3.35Å; R400-E403 IonicContact NE-OE2 2.86Å; R400-E403 IonicContact NH1-OE1 3.61Å; R400-E403 PolarHBondContact NH1-OE1 3.06Å; R400-E403 IonicContact NH1-OE2 2.82Å; R400-E403 PolarHBondContact NH1-OE2 3.01Å; R400-E403 PolarHBondContact O-N 2.87Å; E403-S406 PolarHBondContact O-OG 3.21Å; E403-K407 WeakPolarHBondContact O-CG 3.4Å; E403-K407 PolarHBondContact O-N 2.84Å; E403-K407 WeakPolarHBondContact OE1-CE 3.25Å; E403-K407 IonicContact OE1-NZ 2.67Å; E403-K407 PolarHBondContact OE1-NZ 3.47Å
404L87.3Confident88.1Confident4 Ų440.2 Ų40.22%0.02120%0.201CC..Hα-helixtrans-70.6-44.9176.1-76.4-157.6000112.2Y361 F363 R400 A401 Y402 S406 K407 G408 K409 V411Y361-L404 HydrophobicContact CD1-CD1 3.17Å; Y361-L404 HydrophobicContact CD2-CD1 4.02Å; Y361-L404 HydrophobicContact CE1-CD1 3.71Å; Y361-L404 HydrophobicContact CE1-CD2 4.38Å; Y361-L404 HydrophobicContact CG-CD1 3.34Å; F363-L404 HydrophobicContact CE1-CD1 4.21Å; F363-L404 HydrophobicContact CE2-CD1 3.57Å; F363-L404 HydrophobicContact CE2-CG 4.27Å; F363-L404 HydrophobicContact CZ-CB 4.44Å; F363-L404 HydrophobicContact CZ-CD1 3.15Å; F363-L404 HydrophobicContact CZ-CG 3.73Å; R400-L404 PolarHBondContact O-N 2.92Å; A401-L404 PolarHBondContact O-N 3.35Å; Y402-L404 VanDerWaalsContact C-N 3.31Å; Y402-L404 PolarHBondContact O-N 3.39Å; L404-S406 VanDerWaalsContact C-N 3.26Å; L404-S406 PolarHBondContact O-N 3.36Å; L404-K407 CarbonylContact O-C 3.52Å; L404-K407 WeakPolarHBondContact O-CA 3.35Å; L404-K407 PolarHBondContact O-N 3.09Å; L404-K407 VanDerWaalsContact O-N 3.07Å; L404-G408 PolarHBondContact O-N 3.48Å; L404-K409 HydrophobicContact CB-CB 4.04Å; L404-K409 HydrophobicContact CB-CG 4.38Å; L404-K409 HydrophobicContact CD2-CG 4.31Å; L404-K409 VanDerWaalsContact O-CB 3.25Å; L404-K409 WeakPolarHBondContact O-CB 3.41Å; L404-K409 WeakPolarHBondContact O-CG 3.36Å; L404-K409 PolarHBondContact O-N 3.49Å; L404-V411 HydrophobicContact CB-CG2 3.97Å; L404-V411 HydrophobicContact CD1-CG2 4.5Å
405R89.1Confident88.3Confident74 Ų7440.2 Ų40.228%0.27920%0.201SC..Hα-helixtrans-57.8-40.6175.6-74.2172.2-178.6-172.1-0.8111.1A401 Y402 K407 G408 K409 V411 G424 A425A401-R405 WeakPolarHBondContact O-CB 3.21Å; A401-R405 WeakPolarHBondContact O-CG 3.36Å; A401-R405 PolarHBondContact O-N 2.87Å; Y402-R405 PolarHBondContact O-N 3.23Å; R405-K407 VanDerWaalsContact C-N 3.28Å; R405-K407 PolarHBondContact O-N 3Å; R405-G408 PolarHBondContact O-N 2.8Å; R405-K409 WeakPolarHBondContact CA-O 3.21Å; R405-V411 HydrophobicContact CG-CB 4.35Å; R405-V411 HydrophobicContact CG-CG2 3.95Å; R405-G424 PolarHBondContact NH2-O 2.79Å; R405-A425 PolarHBondContact NH1-O 3.48Å
406S88.2Confident88.3Confident81 Ų8139 Ų3957%0.56620%0.196SC*.Hα-helixtrans-69-24.7177.670.30000113.5Y402 E403 L404 G408Y402-S406 WeakPolarHBondContact O-CB 3.24Å; Y402-S406 PolarHBondContact O-N 3.17Å; Y402-S406 PolarHBondContact O-OG 3.31Å; E403-S406 PolarHBondContact O-OG 3.21Å; L404-S406 VanDerWaalsContact C-N 3.26Å; L404-S406 PolarHBondContact O-N 3.36Å; S406-G408 PolarHBondContact O-N 3.03Å
407K88.8Confident88Confident121 Ų12137.2 Ų37.253%0.52619%0.191SC..THydrogen-bonded Turntrans-84.514.2169.1-65.8174.1-171.2174.50113.4E403 L404 R405 K409E403-K407 WeakPolarHBondContact O-CG 3.4Å; E403-K407 PolarHBondContact O-N 2.84Å; E403-K407 WeakPolarHBondContact OE1-CE 3.25Å; E403-K407 IonicContact OE1-NZ 2.67Å; E403-K407 PolarHBondContact OE1-NZ 3.47Å; L404-K407 CarbonylContact O-C 3.52Å; L404-K407 WeakPolarHBondContact O-CA 3.35Å; L404-K407 PolarHBondContact O-N 3.09Å; L404-K407 VanDerWaalsContact O-N 3.07Å; R405-K407 VanDerWaalsContact C-N 3.28Å; R405-K407 PolarHBondContact O-N 3Å; K407-K409 VanDerWaalsContact C-N 3.28Å; K407-K409 HydrophobicContact CB-CG 4.41Å; K407-K409 PolarHBondContact O-N 3.34Å
408G84.1Confident87.7Confident57 Ų5738.1 Ų38.159%0.58820%0.197SC*.THydrogen-bonded Turntrans72.315.9178.900000114.5L404 R405 S406L404-G408 PolarHBondContact O-N 3.48Å; R405-G408 PolarHBondContact O-N 2.8Å; S406-G408 PolarHBondContact O-N 3.03Å
409K84.4Confident87.6Confident57 Ų5738.1 Ų38.125%0.24820%0.197CC..  trans-85.3149.7175.9-51.1-51.7-165.6176.30110.7L359 Y361 L404 R405 K407L359-K409 HydrophobicContact CD2-CD 3.96Å; Y361-K409 HydrophobicContact CD2-CB 3.66Å; Y361-K409 HydrophobicContact CD2-CD 4.46Å; Y361-K409 HydrophobicContact CD2-CG 4.07Å; Y361-K409 HydrophobicContact CE2-CB 3.69Å; Y361-K409 HydrophobicContact CE2-CD 3.63Å; Y361-K409 HydrophobicContact CE2-CG 3.57Å; L404-K409 HydrophobicContact CB-CB 4.04Å; L404-K409 HydrophobicContact CB-CG 4.38Å; L404-K409 HydrophobicContact CD2-CG 4.31Å; L404-K409 VanDerWaalsContact O-CB 3.25Å; L404-K409 WeakPolarHBondContact O-CB 3.41Å; L404-K409 WeakPolarHBondContact O-CG 3.36Å; L404-K409 PolarHBondContact O-N 3.49Å; R405-K409 WeakPolarHBondContact CA-O 3.21Å; K407-K409 VanDerWaalsContact C-N 3.28Å; K407-K409 HydrophobicContact CB-CG 4.41Å; K407-K409 PolarHBondContact O-N 3.34Å
410V83.3Confident87.6Confident44 Ų4436.6 Ų36.627%0.26719%0.189SC..EExtended strand (participates in β ladder)trans-94.3122176.1179.20000109L359 Y361 L412L359-V410 PolarHBondContact O-N 3.21Å; Y361-V410 PolarHBondContact N-O 3.18Å; V410-L412 HydrophobicContact CG1-CD2 4.28Å
411V88.1Confident87.9Confident9 Ų933.6 Ų33.66%0.05518%0.177CC..EExtended strand (participates in β ladder)trans-101.8109.7175.3177.70000109.1Y361 F363 A401 L404 R405Y361-V411 CarbonylContact O-C 3.38Å; Y361-V411 WeakPolarHBondContact O-CA 3.3Å; F363-V411 HydrophobicContact CD2-CB 4.48Å; F363-V411 HydrophobicContact CD2-CG1 3.47Å; F363-V411 VanDerWaalsContact CD2-CG1 3.47Å; F363-V411 HydrophobicContact CD2-CG2 4.29Å; F363-V411 HydrophobicContact CE2-CB 4.33Å; F363-V411 HydrophobicContact CE2-CG1 3.75Å; F363-V411 HydrophobicContact CE2-CG2 3.67Å; A401-V411 HydrophobicContact CB-CG1 4Å; A401-V411 HydrophobicContact CB-CG2 4.3Å; L404-V411 HydrophobicContact CB-CG2 3.97Å; L404-V411 HydrophobicContact CD1-CG2 4.5Å; R405-V411 HydrophobicContact CG-CB 4.35Å; R405-V411 HydrophobicContact CG-CG2 3.95Å
412L86Confident88.1Confident13 Ų1333.6 Ų33.67%0.06818%0.177CC..  trans-76.6-43.4-175.7-73.9-178.6000113.4W345 R348 I360 Y361 V410W345-L412 HydrophobicContact CE3-CD1 4.02Å; R348-L412 HydrophobicContact CB-CD2 4.38Å; R348-L412 HydrophobicContact CG-CD2 4.05Å; I360-L412 HydrophobicContact CG2-CD1 3.25Å; I360-L412 HydrophobicContact CG2-CD2 4.27Å; I360-L412 HydrophobicContact CG2-CG 3.5Å; I360-L412 VanDerWaalsContact CG2-CG 3.5Å; Y361-L412 PolarHBondContact O-N 3.46Å; V410-L412 HydrophobicContact CG1-CD2 4.28Å
413L91.1Very high87.9Confident0 Ų028.6 Ų28.60%016%0.158CC..  trans-155.2146.7-174.6-179.163.3000109.1L340 L344 L362 F363 W415 P423L340-L413 HydrophobicContact CB-CD2 4.21Å; L340-L413 HydrophobicContact CD2-CD1 3.52Å; L340-L413 HydrophobicContact CD2-CD2 3.96Å; L340-L413 HydrophobicContact CD2-CG 4.4Å; L340-L413 HydrophobicContact CG-CD1 4.09Å; L340-L413 HydrophobicContact CG-CD2 3.87Å; L344-L413 HydrophobicContact CD1-CB 3.86Å; L344-L413 HydrophobicContact CD1-CD1 4.01Å; L344-L413 HydrophobicContact CD1-CD2 4.22Å; L344-L413 HydrophobicContact CD1-CG 4.24Å; L362-L413 HydrophobicContact CD1-CB 4.15Å; L362-L413 HydrophobicContact CG-CB 4.12Å; F363-L413 WeakPolarHBondContact CA-O 3.4Å; F363-L413 PolarHBondContact N-O 3.03Å; F363-L413 VanDerWaalsContact O-O 3.09Å; L413-W415 VanDerWaalsContact CD2-CD1 3.49Å; L413-W415 HydrophobicContact CD2-CG 4.25Å; L413-W415 HydrophobicContact CG-CB 4.49Å; L413-W415 HydrophobicContact CG-CG 4.48Å; L413-P423 HydrophobicContact CD1-CB 4.21Å
414A91.1Very high87.6Confident0 Ų025.3 Ų25.30%014%0.143CC..  trans-129.8134.6160.500000107.9F363 L397 Y421 M422F363-A414 HydrophobicContact CB-CB 3.89Å; F363-A414 VanDerWaalsContact O-CA 3.26Å; F363-A414 WeakPolarHBondContact O-CA 3.18Å; L397-A414 HydrophobicContact CB-CB 4.11Å; L397-A414 HydrophobicContact CD1-CB 3.99Å; L397-A414 HydrophobicContact CD2-CB 4.01Å; L397-A414 HydrophobicContact CG-CB 4.25Å; A414-Y421 CarbonylContact O-C 3.39Å; A414-M422 HydrophobicContact CB-CB 3.97Å; A414-M422 HydrophobicContact CB-CE 3.74Å; A414-M422 HydrophobicContact CB-SD 4.46Å; A414-M422 WeakPolarHBondContact O-CB 3.3Å; A414-M422 PolarHBondContact O-N 3.14Å
415W90Very high87.7Confident4 Ų426.3 Ų26.32%0.01515%0.153CC..EExtended strand (participates in β ladder)trans-152.4155.5-179.567.6-80.7000114.1N334 T341 M364 I365 L413 G420 Y421N334-W415 HydrophobicContact CB-CH2 4.5Å; N334-W415 WeakPolarHBondContact OD1-CZ3 3.27Å; T341-W415 PolarHBondContact OG1-NE1 3.26Å; M364-W415 CarbonylContact C-O 3.52Å; M364-W415 WeakPolarHBondContact CA-O 3.3Å; M364-W415 HydrophobicContact CE-CE3 4.33Å; M364-W415 HydrophobicContact CE-CH2 3.26Å; M364-W415 HydrophobicContact CE-CZ2 3.59Å; M364-W415 HydrophobicContact CE-CZ3 3.67Å; M364-W415 HydrophobicContact CG-CD2 3.89Å; M364-W415 HydrophobicContact CG-CE3 4.4Å; M364-W415 HydrophobicContact CG-CG 4.33Å; M364-W415 HydrophobicContact CG-CH2 4.29Å; M364-W415 HydrophobicContact CG-CZ2 3.78Å; M364-W415 HydrophobicContact SD-CD2 4.43Å; M364-W415 HydrophobicContact SD-CH2 3.62Å; M364-W415 HydrophobicContact SD-CZ2 3.21Å; M364-W415 WeakPolarHBondContact SD-CZ2 3.3Å; M364-W415 HydrophobicContact SD-CZ3 4.36Å; I365-W415 PolarHBondContact N-O 3.2Å; L413-W415 VanDerWaalsContact CD2-CD1 3.49Å; L413-W415 HydrophobicContact CD2-CG 4.25Å; L413-W415 HydrophobicContact CG-CB 4.49Å; L413-W415 HydrophobicContact CG-CG 4.48Å; W415-G420 CarbonylContact C-O 3.43Å; W415-G420 WeakPolarHBondContact CA-O 3.48Å; W415-G420 WeakPolarHBondContact CB-O 3.35Å; W415-Y421 HydrophobicContact CB-CD1 3.43Å; W415-Y421 VanDerWaalsContact CB-CD1 3.43Å; W415-Y421 HydrophobicContact CB-CE1 4.09Å; W415-Y421 HydrophobicContact CB-CG 4.25Å; W415-Y421 HydrophobicContact CD2-CE1 4.39Å; W415-Y421 HydrophobicContact CE3-CE1 4.05Å; W415-Y421 HydrophobicContact CG-CD1 4.12Å; W415-Y421 HydrophobicContact CG-CE1 4.48Å
416E84.4Confident88Confident9 Ų922.8 Ų22.84%0.04214%0.139CC..EExtended strand (participates in β ladder)trans-126.9155.3174.976.2-171.6172.900110.6I365 F394 S418 I419 G420 K429I365-E416 HydrophobicContact CB-CB 4Å; I365-E416 HydrophobicContact CD1-CB 4.38Å; I365-E416 HydrophobicContact CG2-CB 4.22Å; F394-E416 HydrophobicContact CD2-CB 4.48Å; F394-E416 HydrophobicContact CD2-CG 4.1Å; F394-E416 WeakPolarHBondContact CD2-OE2 3.42Å; F394-E416 HydrophobicContact CE2-CB 3.95Å; F394-E416 HydrophobicContact CE2-CG 3.66Å; E416-S418 WeakPolarHBondContact CG-OG 3.48Å; E416-S418 PolarHBondContact O-N 3.25Å; E416-S418 PolarHBondContact OE1-OG 3.43Å; E416-S418 VanDerWaalsContact OE1-OG 3.13Å; E416-I419 PolarHBondContact O-N 3.44Å; E416-G420 PolarHBondContact N-O 3.25Å; E416-G420 PolarHBondContact O-N 3.46Å; E416-K429 WeakPolarHBondContact OE1-CD 3.09Å; E416-K429 IonicContact OE1-NZ 2.86Å; E416-K429 PolarHBondContact OE1-NZ 3.13Å
417E80.6Confident88.3Confident34 Ų3419.1 Ų19.116%0.15911%0.113CC..THydrogen-bonded Turntrans-66.4-20.7-173.181.4-68.5175.900113.8G333 N334 L367 I419G333-E417 WeakPolarHBondContact CA-O 3.31Å; N334-E417 WeakPolarHBondContact OD1-CB 3.46Å; L367-E417 WeakPolarHBondContact CD1-OE1 3.34Å; E417-I419 PolarHBondContact O-N 3.24Å
418S80.5Confident88.6Confident18 Ų1813.4 Ų13.413%0.1269%0.088CC..THydrogen-bonded Turntrans-79.643.7174.1690000112E416 G420E416-S418 WeakPolarHBondContact CG-OG 3.48Å; E416-S418 PolarHBondContact O-N 3.25Å; E416-S418 PolarHBondContact OE1-OG 3.43Å; E416-S418 VanDerWaalsContact OE1-OG 3.13Å; S418-G420 VanDerWaalsContact C-N 3.25Å; S418-G420 PolarHBondContact O-N 2.89Å; S418-G420 VanDerWaalsContact O-N 3.14Å
419I90.2Very high89.1Confident1 Ų111.4 Ų11.41%0.0056%0.063CC..THydrogen-bonded Turntrans54.633.7172.666.2162.8000115.3P285 E286 R316 F317 Q318 M336 E416 E417 Y421P285-I419 HydrophobicContact CB-CD1 3.96Å; E286-I419 HydrophobicContact CB-CD1 3.79Å; E286-I419 HydrophobicContact CB-CG1 4.14Å; E286-I419 HydrophobicContact CG-CG1 4.46Å; R316-I419 HydrophobicContact CB-CD1 3.88Å; R316-I419 HydrophobicContact CB-CG1 4.02Å; R316-I419 HydrophobicContact CG-CG1 4.36Å; F317-I419 PolarHBondContact N-O 3.07Å; F317-I419 WeakPolarHBondContact O-CB 3.45Å; Q318-I419 HydrophobicContact CB-CD1 4.49Å; M336-I419 HydrophobicContact CE-CB 4.26Å; M336-I419 HydrophobicContact CE-CG2 3.53Å; E416-I419 PolarHBondContact O-N 3.44Å; E417-I419 PolarHBondContact O-N 3.24Å; I419-Y421 HydrophobicContact CB-CE2 4.3Å; I419-Y421 WeakPolarHBondContact O-CE2 3.41Å
420G92Very high89.7Confident0 Ų08.7 Ų8.70%05%0.052CC..EExtended strand (participates in β ladder)trans-111123.2178.500000112F394 W415 E416 S418 K429F394-G420 WeakPolarHBondContact CZ-O 3.26Å; W415-G420 CarbonylContact C-O 3.43Å; W415-G420 WeakPolarHBondContact CA-O 3.48Å; W415-G420 WeakPolarHBondContact CB-O 3.35Å; E416-G420 PolarHBondContact N-O 3.25Å; E416-G420 PolarHBondContact O-N 3.46Å; S418-G420 VanDerWaalsContact C-N 3.25Å; S418-G420 PolarHBondContact O-N 2.89Å; S418-G420 VanDerWaalsContact O-N 3.14Å; G420-K429 VanDerWaalsContact CA-CD 3.44Å
421Y94.3Very high90.4Very high1 Ų16.6 Ų6.60%0.0044%0.039CC..EExtended strand (participates in β ladder)trans-135.6146.3-174.2-45.7-88.7000111.1G333 M336 L340 A414 W415 I419 P423 K429 D430 T434G333-Y421 VanDerWaalsContact CA-OH 3.3Å; G333-Y421 WeakPolarHBondContact CA-OH 3.04Å; G333-Y421 PolarHBondContact O-OH 3.43Å; G333-Y421 VanDerWaalsContact O-OH 3.07Å; M336-Y421 HydrophobicContact CB-CE1 4.32Å; M336-Y421 WeakPolarHBondContact CB-OH 3.38Å; M336-Y421 WeakPolarHBondContact CE-OH 3.32Å; L340-Y421 HydrophobicContact CD2-CD1 3.8Å; L340-Y421 HydrophobicContact CD2-CG 3.98Å; A414-Y421 CarbonylContact O-C 3.39Å; W415-Y421 HydrophobicContact CB-CD1 3.43Å; W415-Y421 VanDerWaalsContact CB-CD1 3.43Å; W415-Y421 HydrophobicContact CB-CE1 4.09Å; W415-Y421 HydrophobicContact CB-CG 4.25Å; W415-Y421 HydrophobicContact CD2-CE1 4.39Å; W415-Y421 HydrophobicContact CE3-CE1 4.05Å; W415-Y421 HydrophobicContact CG-CD1 4.12Å; W415-Y421 HydrophobicContact CG-CE1 4.48Å; I419-Y421 HydrophobicContact CB-CE2 4.3Å; I419-Y421 WeakPolarHBondContact O-CE2 3.41Å; Y421-P423 WeakPolarHBondContact O-CD 3.41Å; Y421-K429 WeakPolarHBondContact O-CA 3.4Å; Y421-D430 PolarHBondContact O-N 3.35Å; Y421-T434 HydrophobicContact CD2-CG2 3.76Å; Y421-T434 HydrophobicContact CG-CG2 4.11Å
422M94Very high90.9Very high0 Ų06.2 Ų6.20%04%0.037CC..  trans-123.360.6179-158.7174.479.400112.2F394 A398 A401 A414 G424 S426 L427 D428F394-M422 HydrophobicContact CE1-CB 3.88Å; F394-M422 HydrophobicContact CE1-SD 4.46Å; A398-M422 HydrophobicContact CB-SD 4.48Å; A401-M422 HydrophobicContact CB-CE 3.7Å; A414-M422 HydrophobicContact CB-CB 3.97Å; A414-M422 HydrophobicContact CB-CE 3.74Å; A414-M422 HydrophobicContact CB-SD 4.46Å; A414-M422 WeakPolarHBondContact O-CB 3.3Å; A414-M422 PolarHBondContact O-N 3.14Å; M422-G424 PolarHBondContact O-N 2.94Å; M422-S426 WeakPolarHBondContact CG-O 3.2Å; M422-L427 HydrophobicContact CE-CD2 4.05Å; M422-L427 HydrophobicContact SD-CD2 4.27Å; M422-D428 WeakPolarHBondContact CG-O 3.44Å
423P88.2Confident91.4Very high0 Ų05.6 Ų5.60%03%0.034CC..  trans-7899.316532.4-28.3000106.9F223 L340 L344 L413 Y421 V433 T434 V437F223-P423 HydrophobicContact CD1-CB 4.47Å; L340-P423 HydrophobicContact CD2-CG 4.46Å; L344-P423 HydrophobicContact CD1-CB 4.22Å; L413-P423 HydrophobicContact CD1-CB 4.21Å; Y421-P423 WeakPolarHBondContact O-CD 3.41Å; P423-V433 HydrophobicContact CB-CG1 4.47Å; P423-V433 HydrophobicContact CG-CB 4.43Å; P423-V433 HydrophobicContact CG-CG1 4.22Å; P423-V433 WeakPolarHBondContact O-CB 3.39Å; P423-V433 WeakPolarHBondContact O-CG1 3.35Å; P423-T434 VanDerWaalsContact CD-OG1 3.25Å; P423-T434 WeakPolarHBondContact CD-OG1 3.42Å; P423-T434 VanDerWaalsContact CG-OG1 3.28Å; P423-T434 WeakPolarHBondContact CG-OG1 3.49Å; P423-V437 HydrophobicContact CB-CG2 4.41Å
424G84.5Confident91.7Very high4 Ų45.6 Ų5.64%0.0413%0.034CC..SBendtrans154.7-172.3178.500000118.4N220 F223 R405 M422N220-G424 WeakPolarHBondContact OD1-CA 3.28Å; F223-G424 VanDerWaalsContact CE2-CA 3.47Å; R405-G424 PolarHBondContact NH2-O 2.79Å; M422-G424 PolarHBondContact O-N 2.94Å
425A89.6Confident92.1Very high26 Ų265.6 Ų5.622%0.2153%0.034CC..SBendtrans-74.9-34.7177.200000112.8Y136 D219 N220 R405Y136-A425 HydrophobicContact CD2-CB 3.66Å; Y136-A425 HydrophobicContact CE2-CB 3.63Å; D219-A425 HydrophobicContact CB-CB 4.24Å; N220-A425 PolarHBondContact OD1-N 3.24Å; R405-A425 PolarHBondContact NH1-O 3.48Å
426S94.6Very high92.4Very high0 Ų05.4 Ų5.40%03%0.033CC..  trans-55.6149.9176.3-47.90000112P132 Y216 M422 D430P132-S426 PolarHBondContact O-OG 2.82Å; Y216-S426 WeakPolarHBondContact CE2-OG 3.42Å; M422-S426 WeakPolarHBondContact CG-O 3.2Å; S426-D430 PolarHBondContact OG-OD2 2.87Å
427L94.4Very high93Very high4 Ų45 Ų52%0.0213%0.031CC..SBendtrans-113.143175.3-75.2170.8000110.8S135 T139 N167 A398 A401 Y402 M422S135-L427 WeakPolarHBondContact OG-CA 3.36Å; S135-L427 PolarHBondContact OG-N 2.66Å; S135-L427 PolarHBondContact OG-O 3.19Å; T139-L427 HydrophobicContact CG2-CD1 4.06Å; N167-L427 WeakPolarHBondContact O-CD1 3.3Å; A398-L427 HydrophobicContact CB-CB 4.12Å; A398-L427 HydrophobicContact CB-CD2 4.44Å; A398-L427 WeakPolarHBondContact CB-O 3.26Å; A401-L427 HydrophobicContact CB-CD2 4.17Å; Y402-L427 HydrophobicContact CD2-CD1 3.86Å; Y402-L427 HydrophobicContact CG-CD1 4.43Å; M422-L427 HydrophobicContact CE-CD2 4.05Å; M422-L427 HydrophobicContact SD-CD2 4.27Å
428D94.6Very high93.8Very high0 Ų03.4 Ų3.40%02%0.023CC..SBendtrans-153.8179.2165.3-156.9-7000108.6Y164 Q170 F394 M422 D430Y164-D428 HydrophobicContact CE1-CB 3.98Å; Y164-D428 VanDerWaalsContact CE1-OD2 3.3Å; Y164-D428 WeakPolarHBondContact CE1-OD2 3.29Å; Y164-D428 PolarHBondContact OH-OD2 3.05Å; Q170-D428 PolarHBondContact NE2-OD1 3.24Å; Q170-D428 PolarHBondContact NE2-OD2 2.89Å; F394-D428 WeakPolarHBondContact CB-OD1 3.25Å; M422-D428 WeakPolarHBondContact CG-O 3.44Å; D428-D430 PolarHBondContact O-N 3.24Å
429K94.6Very high94.6Very high15 Ų152.5 Ų2.57%0.0652%0.017CC..  trans-56.5133.1174-62.3177.2-87.1-161.90111.3P132 D315 F394 E416 G420 Y421P132-K429 WeakPolarHBondContact CB-O 3.29Å; D315-K429 HydrophobicContact CB-CB 4.08Å; D315-K429 WeakPolarHBondContact O-CB 3.4Å; F394-K429 HydrophobicContact CD1-CB 4.36Å; F394-K429 HydrophobicContact CD1-CG 3.48Å; F394-K429 VanDerWaalsContact CD1-CG 3.48Å; F394-K429 HydrophobicContact CD2-CD 3.87Å; F394-K429 HydrophobicContact CD2-CG 3.57Å; F394-K429 HydrophobicContact CE1-CB 4.05Å; F394-K429 HydrophobicContact CE1-CD 4.46Å; F394-K429 HydrophobicContact CE1-CG 3.25Å; F394-K429 HydrophobicContact CE2-CD 3.86Å; F394-K429 HydrophobicContact CE2-CG 3.44Å; F394-K429 VanDerWaalsContact CE2-CG 3.44Å; F394-K429 HydrophobicContact CG-CD 4.25Å; F394-K429 HydrophobicContact CG-CG 3.61Å; F394-K429 HydrophobicContact CZ-CB 4.35Å; F394-K429 HydrophobicContact CZ-CD 4.18Å; F394-K429 HydrophobicContact CZ-CG 3.29Å; E416-K429 WeakPolarHBondContact OE1-CD 3.09Å; E416-K429 IonicContact OE1-NZ 2.86Å; E416-K429 PolarHBondContact OE1-NZ 3.13Å; G420-K429 VanDerWaalsContact CA-CD 3.44Å; Y421-K429 WeakPolarHBondContact O-CA 3.4Å
430D97.3Very high94.8Very high0 Ų02.5 Ų2.50%02%0.017CC..  trans-130.485.2-173.6-162.2-36.5000111P132 Y216 Y421 S426 D428 V432 V433 T434P132-D430 HydrophobicContact CB-CB 3.82Å; P132-D430 VanDerWaalsContact CB-CG 3.5Å; P132-D430 WeakPolarHBondContact CB-OD2 3.39Å; P132-D430 HydrophobicContact CG-CB 4.25Å; Y216-D430 WeakPolarHBondContact CE2-OD2 3.48Å; Y216-D430 PolarHBondContact OH-OD1 3.44Å; Y216-D430 PolarHBondContact OH-OD2 3.43Å; Y421-D430 PolarHBondContact O-N 3.35Å; S426-D430 PolarHBondContact OG-OD2 2.87Å; D428-D430 PolarHBondContact O-N 3.24Å; D430-V432 PolarHBondContact O-N 2.94Å; D430-V432 PolarHBondContact OD1-N 2.82Å; D430-V433 WeakPolarHBondContact OD1-CG2 3.26Å; D430-V433 PolarHBondContact OD1-N 3.25Å; D430-T434 VanDerWaalsContact O-CB 3.25Å; D430-T434 WeakPolarHBondContact O-CB 3.4Å; D430-T434 PolarHBondContact O-N 3.05Å; D430-T434 VanDerWaalsContact O-N 3.1Å; D430-T434 PolarHBondContact O-OG1 3.44Å
431G97.8Very high95.1Very high1 Ų12.5 Ų2.51%0.012%0.017CC..Hα-helixtrans-65.7-24.9176.700000113.1A314 C435A314-G431 WeakPolarHBondContact O-CA 3.45Å; A314-G431 PolarHBondContact O-N 2.84Å; G431-C435 VanDerWaalsContact O-CB 3.23Å; G431-C435 WeakPolarHBondContact O-CB 3.3Å; G431-C435 PolarHBondContact O-N 3.02Å
432V98.3Very high95.2Very high0 Ų03 Ų30%02%0.019CC..Hα-helixtrans-70.2-52.9-179.5178.30000110.9P130 Y216 V250 M253 A314 D430 C435 A436P130-V432 HydrophobicContact CB-CG2 4.11Å; P130-V432 HydrophobicContact CG-CG2 3.94Å; Y216-V432 HydrophobicContact CE1-CG1 4.33Å; V250-V432 HydrophobicContact CG2-CB 4.41Å; V250-V432 HydrophobicContact CG2-CG1 4.23Å; V250-V432 HydrophobicContact CG2-CG2 4.26Å; M253-V432 HydrophobicContact CB-CG1 3.99Å; M253-V432 HydrophobicContact CE-CG1 4.43Å; M253-V432 HydrophobicContact CG-CG1 4.37Å; A314-V432 HydrophobicContact CB-CG2 4.01Å; D430-V432 PolarHBondContact O-N 2.94Å; D430-V432 PolarHBondContact OD1-N 2.82Å; V432-C435 PolarHBondContact O-N 2.87Å; V432-A436 PolarHBondContact O-N 3.31Å
433V97.7Very high95.2Very high0 Ų03 Ų30%02%0.019CC..Hα-helixtrans-68.4-39.6177.5-175.60000110.4Y216 N220 M253 P423 D430 C435 A436 V437Y216-V433 HydrophobicContact CE2-CG2 4.43Å; Y216-V433 WeakPolarHBondContact OH-CG2 3.46Å; N220-V433 HydrophobicContact CB-CG1 4.19Å; N220-V433 HydrophobicContact CB-CG2 3.74Å; N220-V433 VanDerWaalsContact CG-CG2 3.48Å; M253-V433 HydrophobicContact CE-CG2 3.94Å; P423-V433 HydrophobicContact CB-CG1 4.47Å; P423-V433 HydrophobicContact CG-CB 4.43Å; P423-V433 HydrophobicContact CG-CG1 4.22Å; P423-V433 WeakPolarHBondContact O-CB 3.39Å; P423-V433 WeakPolarHBondContact O-CG1 3.35Å; D430-V433 WeakPolarHBondContact OD1-CG2 3.26Å; D430-V433 PolarHBondContact OD1-N 3.25Å; V433-C435 VanDerWaalsContact C-N 3.29Å; V433-C435 PolarHBondContact O-N 3.24Å; V433-A436 PolarHBondContact O-N 3.29Å; V433-A436 VanDerWaalsContact O-N 3.09Å; V433-V437 HydrophobicContact CG1-CG2 4.09Å; V433-V437 WeakPolarHBondContact O-CG2 3.3Å; V433-V437 PolarHBondContact O-N 2.92Å
434T97.8Very high95.5Very high0 Ų04.6 Ų4.60%03%0.027CC..Hα-helixtrans-57.7-43177.9-58.10000111.7F317 L340 Y421 P423 D430 A436 V437 F438F317-T434 HydrophobicContact CB-CG2 3.91Å; F317-T434 HydrophobicContact CD1-CG2 3.61Å; F317-T434 HydrophobicContact CE1-CG2 4.29Å; F317-T434 HydrophobicContact CG-CG2 3.78Å; L340-T434 HydrophobicContact CD2-CG2 4.41Å; Y421-T434 HydrophobicContact CD2-CG2 3.76Å; Y421-T434 HydrophobicContact CG-CG2 4.11Å; P423-T434 VanDerWaalsContact CD-OG1 3.25Å; P423-T434 WeakPolarHBondContact CD-OG1 3.42Å; P423-T434 VanDerWaalsContact CG-OG1 3.28Å; P423-T434 WeakPolarHBondContact CG-OG1 3.49Å; D430-T434 VanDerWaalsContact O-CB 3.25Å; D430-T434 WeakPolarHBondContact O-CB 3.4Å; D430-T434 PolarHBondContact O-N 3.05Å; D430-T434 VanDerWaalsContact O-N 3.1Å; D430-T434 PolarHBondContact O-OG1 3.44Å; T434-A436 PolarHBondContact O-N 3.34Å; T434-V437 PolarHBondContact O-N 2.88Å; T434-F438 HydrophobicContact CG2-CD2 3.8Å; T434-F438 HydrophobicContact CG2-CE2 3.98Å; T434-F438 WeakPolarHBondContact O-CD2 3.29Å; T434-F438 PolarHBondContact O-N 3.29Å
435C97.7Very high96Very high0 Ų04.5 Ų4.50%03%0.025CC..Hα-helixtrans-57.8-46.2174.4-1760000112.1V250 F308 F317 G431 V432 V433 F438 A439V250-C435 HydrophobicContact CG1-CB 4.33Å; V250-C435 VanDerWaalsContact CG1-SG 3.56Å; V250-C435 HydrophobicContact CG2-CB 4.37Å; F308-C435 VanDerWaalsContact CD2-SG 3.53Å; F317-C435 HydrophobicContact CD2-CB 3.87Å; F317-C435 HydrophobicContact CE2-CB 3.82Å; G431-C435 VanDerWaalsContact O-CB 3.23Å; G431-C435 WeakPolarHBondContact O-CB 3.3Å; G431-C435 PolarHBondContact O-N 3.02Å; V432-C435 PolarHBondContact O-N 2.87Å; V433-C435 VanDerWaalsContact C-N 3.29Å; V433-C435 PolarHBondContact O-N 3.24Å; C435-F438 PolarHBondContact O-N 3.48Å; C435-A439 WeakPolarHBondContact O-CB 3.47Å; C435-A439 PolarHBondContact O-N 2.9Å
436A97Very high96.2Very high0 Ų05.8 Ų5.80%03%0.028CC..Hα-helixtrans-68-35.8179.200000113.4M253 L254 F257 V432 V433 T434 A439 D440M253-A436 HydrophobicContact CB-CB 4.38Å; M253-A436 HydrophobicContact CG-CB 3.53Å; L254-A436 HydrophobicContact CD2-CB 4.22Å; F257-A436 HydrophobicContact CD1-CB 3.82Å; F257-A436 WeakPolarHBondContact CD1-O 3.37Å; F257-A436 HydrophobicContact CD2-CB 4.1Å; F257-A436 HydrophobicContact CE1-CB 3.88Å; F257-A436 HydrophobicContact CE2-CB 4.16Å; F257-A436 HydrophobicContact CG-CB 3.95Å; F257-A436 HydrophobicContact CZ-CB 4.05Å; V432-A436 PolarHBondContact O-N 3.31Å; V433-A436 PolarHBondContact O-N 3.29Å; V433-A436 VanDerWaalsContact O-N 3.09Å; T434-A436 PolarHBondContact O-N 3.34Å; A436-A439 WeakPolarHBondContact O-CB 3.44Å; A436-A439 PolarHBondContact O-N 3.45Å; A436-D440 PolarHBondContact O-N 2.95Å
437V97.1Very high96.1Very high0 Ų010.3 Ų10.30%05%0.053CC..Hα-helixtrans-67.1-43175174.60000111.2F223 F257 L340 L344 P423 V433 T434 A439 D440 F441F223-V437 HydrophobicContact CB-CG2 3.9Å; F257-V437 HydrophobicContact CE1-CG2 4.08Å; F257-V437 HydrophobicContact CZ-CG2 4.37Å; L340-V437 HydrophobicContact CD1-CB 4.31Å; L340-V437 HydrophobicContact CD1-CG1 3.47Å; L340-V437 VanDerWaalsContact CD1-CG1 3.47Å; L344-V437 HydrophobicContact CD2-CG1 4.1Å; P423-V437 HydrophobicContact CB-CG2 4.41Å; V433-V437 HydrophobicContact CG1-CG2 4.09Å; V433-V437 WeakPolarHBondContact O-CG2 3.3Å; V433-V437 PolarHBondContact O-N 2.92Å; T434-V437 PolarHBondContact O-N 2.88Å; V437-A439 VanDerWaalsContact C-N 3.32Å; V437-A439 PolarHBondContact O-N 3.46Å; V437-D440 PolarHBondContact O-N 2.94Å; V437-F441 PolarHBondContact O-N 3.42Å
438F97.8Very high96.1Very high1 Ų115.8 Ų15.80%0.0048%0.076CC..Hα-helixtrans-67.7-31.4174.4-91.7-75.4000112.8F308 F317 L319 M336 L339 L340 T434 C435 F441 F442 F452F308-F438 HydrophobicContact CE1-CB 4.27Å; F308-F438 HydrophobicContact CE2-CB 4.44Å; F308-F438 HydrophobicContact CZ-CB 3.88Å; F317-F438 AromaticContact CD1-CD2 3.97Å; F317-F438 HydrophobicContact CD1-CD2 3.97Å; F317-F438 HydrophobicContact CD1-CE2 4.19Å; F317-F438 HydrophobicContact CE1-CB 4.14Å; F317-F438 AromaticContact CE1-CD2 3.32Å; F317-F438 HydrophobicContact CE1-CD2 3.32Å; F317-F438 AromaticContact CE1-CE2 3.78Å; F317-F438 HydrophobicContact CE1-CE2 3.78Å; F317-F438 AromaticContact CE1-CG 3.78Å; F317-F438 HydrophobicContact CE1-CG 3.78Å; F317-F438 HydrophobicContact CZ-CB 3.83Å; F317-F438 AromaticContact CZ-CD2 3.9Å; F317-F438 HydrophobicContact CZ-CD2 3.9Å; F317-F438 AromaticContact CZ-CG 4Å; F317-F438 HydrophobicContact CZ-CG 4Å; L319-F438 HydrophobicContact CD2-CD1 4.28Å; L319-F438 HydrophobicContact CD2-CE1 4.12Å; M336-F438 HydrophobicContact CB-CE2 4.49Å; M336-F438 HydrophobicContact CB-CZ 4Å; M336-F438 HydrophobicContact CG-CZ 4.2Å; L339-F438 HydrophobicContact CB-CE1 4.06Å; L339-F438 HydrophobicContact CB-CZ 4.29Å; L339-F438 HydrophobicContact CD1-CE1 4.39Å; L340-F438 HydrophobicContact CB-CE2 4.26Å; L340-F438 HydrophobicContact CB-CZ 4.2Å; L340-F438 HydrophobicContact CD1-CE2 4.23Å; L340-F438 HydrophobicContact CD2-CE2 4.47Å; T434-F438 HydrophobicContact CG2-CD2 3.8Å; T434-F438 HydrophobicContact CG2-CE2 3.98Å; T434-F438 WeakPolarHBondContact O-CD2 3.29Å; T434-F438 PolarHBondContact O-N 3.29Å; C435-F438 PolarHBondContact O-N 3.48Å; F438-F441 HydrophobicContact CD1-CD1 4.48Å; F438-F441 HydrophobicContact CE1-CD1 4.48Å; F438-F441 PolarHBondContact O-N 3.48Å; F438-F442 VanDerWaalsContact O-CB 3.31Å; F438-F442 WeakPolarHBondContact O-CB 3.38Å; F438-F442 PolarHBondContact O-N 3.3Å; F438-F452 AromaticContact CD1-CE1 3.79Å; F438-F452 HydrophobicContact CD1-CE1 3.79Å; F438-F452 AromaticContact CD1-CZ 3.96Å; F438-F452 HydrophobicContact CD1-CZ 3.96Å; F438-F452 HydrophobicContact CE1-CE1 4.04Å
439A96.5Very high96Very high0 Ų025 Ų250%012%0.116CC..Hα-helixtrans-62.2-49170.600000111L254 F259 F308 C435 A436 V437 F441 F442 T443L254-A439 HydrophobicContact CD2-CB 3.42Å; L254-A439 VanDerWaalsContact CD2-CB 3.42Å; F259-A439 HydrophobicContact CD2-CB 4.21Å; F259-A439 HydrophobicContact CE1-CB 3.96Å; F259-A439 HydrophobicContact CE2-CB 3.62Å; F259-A439 HydrophobicContact CZ-CB 3.53Å; F259-A439 WeakPolarHBondContact CZ-O 3.21Å; F308-A439 HydrophobicContact CE2-CB 4Å; C435-A439 WeakPolarHBondContact O-CB 3.47Å; C435-A439 PolarHBondContact O-N 2.9Å; A436-A439 WeakPolarHBondContact O-CB 3.44Å; A436-A439 PolarHBondContact O-N 3.45Å; V437-A439 VanDerWaalsContact C-N 3.32Å; V437-A439 PolarHBondContact O-N 3.46Å; A439-F441 VanDerWaalsContact C-N 3.27Å; A439-F441 PolarHBondContact O-N 2.86Å; A439-F442 WeakPolarHBondContact O-CB 3.33Å; A439-F442 PolarHBondContact O-N 2.76Å; A439-F442 VanDerWaalsContact O-N 3.1Å; A439-T443 PolarHBondContact O-N 2.88Å
440D95.8Very high96Very high0 Ų026.7 Ų26.70%013%0.126CC..Hα-helixtrans-56.3-43.4176.1-168.152.7000110.9F225 H226 N230 F257 A436 V437 T443 F444F225-D440 PolarHBondContact N-OD2 3.47Å; H226-D440 WeakPolarHBondContact CA-OD1 3.35Å; H226-D440 WeakPolarHBondContact CB-OD1 3.29Å; H226-D440 PolarHBondContact N-OD1 2.76Å; H226-D440 VanDerWaalsContact N-OD1 3.08Å; H226-D440 PolarHBondContact N-OD2 2.7Å; H226-D440 IonicContact ND1-OD2 3.75Å; N230-D440 PolarHBondContact ND2-OD1 2.76Å; N230-D440 PolarHBondContact OD1-OD1 3.1Å; F257-D440 HydrophobicContact CD1-CB 4.34Å; A436-D440 PolarHBondContact O-N 2.95Å; V437-D440 PolarHBondContact O-N 2.94Å; D440-T443 PolarHBondContact O-N 3.02Å; D440-F444 PolarHBondContact O-N 3.42Å
441F96.9Very high96Very high1 Ų127.9 Ų27.90%0.00413%0.133CC..Hα-helixtrans-64.9-41.9175.7-163.7-178.8000112.1L339 W342 W343 V437 F438 A439 T443 F444 L445 F452 Q455L339-F441 HydrophobicContact CB-CE1 3.98Å; L339-F441 HydrophobicContact CD2-CE1 4.02Å; L339-F441 HydrophobicContact CD2-CZ 4.25Å; L339-F441 WeakPolarHBondContact O-CE1 3.29Å; W342-F441 HydrophobicContact CE3-CE1 4.4Å; W342-F441 HydrophobicContact CE3-CE2 4.22Å; W342-F441 AromaticContact CE3-CZ 3.63Å; W342-F441 HydrophobicContact CE3-CZ 3.63Å; W342-F441 AromaticContact CZ3-CE2 3.71Å; W342-F441 HydrophobicContact CZ3-CE2 3.71Å; W342-F441 AromaticContact CZ3-CZ 3.6Å; W342-F441 HydrophobicContact CZ3-CZ 3.6Å; W343-F441 HydrophobicContact CB-CD1 3.75Å; W343-F441 HydrophobicContact CB-CE1 3.73Å; W343-F441 HydrophobicContact CB-CG 4.3Å; W343-F441 HydrophobicContact CB-CZ 4.24Å; W343-F441 HydrophobicContact CD2-CB 3.89Å; W343-F441 AromaticContact CD2-CD1 3.97Å; W343-F441 HydrophobicContact CD2-CD1 3.97Å; W343-F441 AromaticContact CD2-CD2 3.65Å; W343-F441 HydrophobicContact CD2-CD2 3.65Å; W343-F441 HydrophobicContact CD2-CE1 4.41Å; W343-F441 HydrophobicContact CD2-CE2 4.13Å; W343-F441 AromaticContact CD2-CG 3.58Å; W343-F441 HydrophobicContact CD2-CG 3.58Å; W343-F441 HydrophobicContact CD2-CZ 4.49Å; W343-F441 HydrophobicContact CE3-CB 4.36Å; W343-F441 HydrophobicContact CE3-CD1 4.25Å; W343-F441 AromaticContact CE3-CD2 3.25Å; W343-F441 HydrophobicContact CE3-CD2 3.25Å; W343-F441 HydrophobicContact CE3-CE1 4.39Å; W343-F441 AromaticContact CE3-CE2 3.43Å; W343-F441 HydrophobicContact CE3-CE2 3.43Å; W343-F441 VanDerWaalsContact CE3-CE2 3.43Å; W343-F441 AromaticContact CE3-CG 3.72Å; W343-F441 HydrophobicContact CE3-CG 3.72Å; W343-F441 HydrophobicContact CE3-CZ 4.01Å; W343-F441 HydrophobicContact CG-CB 4.19Å; W343-F441 AromaticContact CG-CD1 3.78Å; W343-F441 HydrophobicContact CG-CD1 3.78Å; W343-F441 HydrophobicContact CG-CD2 4.33Å; W343-F441 HydrophobicContact CG-CE1 4.19Å; W343-F441 AromaticContact CG-CG 3.87Å; W343-F441 HydrophobicContact CG-CG 3.87Å; W343-F441 HydrophobicContact CH2-CD2 4.07Å; W343-F441 HydrophobicContact CZ2-CB 4.16Å; W343-F441 HydrophobicContact CZ2-CD2 4.42Å; W343-F441 AromaticContact CZ3-CD2 3.5Å; W343-F441 HydrophobicContact CZ3-CD2 3.5Å; W343-F441 AromaticContact CZ3-CE2 3.83Å; W343-F441 HydrophobicContact CZ3-CE2 3.83Å; W343-F441 HydrophobicContact CZ3-CG 4.25Å; V437-F441 PolarHBondContact O-N 3.42Å; F438-F441 HydrophobicContact CD1-CD1 4.48Å; F438-F441 HydrophobicContact CE1-CD1 4.48Å; F438-F441 PolarHBondContact O-N 3.48Å; A439-F441 VanDerWaalsContact C-N 3.27Å; A439-F441 PolarHBondContact O-N 2.86Å; F441-T443 PolarHBondContact O-N 2.92Å; F441-F444 HydrophobicContact CD2-CD1 4.17Å; F441-F444 HydrophobicContact CE2-CD1 4.22Å; F441-F444 WeakPolarHBondContact O-CB 3.43Å; F441-F444 PolarHBondContact O-N 3.44Å; F441-L445 HydrophobicContact CD2-CD1 4Å; F441-L445 HydrophobicContact CD2-CD2 4.23Å; F441-L445 HydrophobicContact CD2-CG 3.78Å; F441-L445 HydrophobicContact CE2-CD1 3.83Å; F441-L445 HydrophobicContact CE2-CD2 3.69Å; F441-L445 HydrophobicContact CE2-CG 3.7Å; F441-L445 HydrophobicContact CZ-CD1 4.32Å; F441-L445 WeakPolarHBondContact O-CG 3.49Å; F441-L445 PolarHBondContact O-N 2.8Å; F441-F452 HydrophobicContact CB-CE1 4.28Å; F441-F452 HydrophobicContact CB-CZ 4.28Å; F441-F452 AromaticContact CD1-CE1 3.63Å; F441-F452 HydrophobicContact CD1-CE1 3.63Å; F441-F452 HydrophobicContact CD1-CZ 4.43Å; F441-F452 HydrophobicContact CD2-CE1 4.44Å; F441-F452 HydrophobicContact CE1-CE1 4.03Å; F441-F452 AromaticContact CG-CE1 3.85Å; F441-F452 HydrophobicContact CG-CE1 3.85Å; F441-F452 HydrophobicContact CG-CZ 4.3Å; F441-Q455 HydrophobicContact CE2-CG 4.18Å; F441-Q455 HydrophobicContact CZ-CG 3.75Å
442F96.4Very high96Very high10 Ų1027.8 Ų27.84%0.04413%0.132CC..Hα-helixtrans-60.4-45.4176.8173-120.5000111.9A235 I306 F438 A439 F444 L445 N446 F452A235-F442 HydrophobicContact CB-CD1 4.47Å; A235-F442 HydrophobicContact CB-CE1 3.55Å; A235-F442 HydrophobicContact CB-CZ 3.96Å; I306-F442 HydrophobicContact CB-CE2 4.29Å; I306-F442 HydrophobicContact CB-CZ 4.36Å; I306-F442 HydrophobicContact CD1-CB 4.07Å; I306-F442 HydrophobicContact CD1-CD1 4.48Å; I306-F442 HydrophobicContact CD1-CD2 3.64Å; I306-F442 HydrophobicContact CD1-CE2 4.18Å; I306-F442 HydrophobicContact CD1-CG 3.81Å; I306-F442 HydrophobicContact CG2-CD1 4.09Å; I306-F442 HydrophobicContact CG2-CE1 3.82Å; I306-F442 HydrophobicContact CG2-CE2 4.26Å; I306-F442 HydrophobicContact CG2-CG 4.41Å; I306-F442 HydrophobicContact CG2-CZ 3.91Å; F438-F442 VanDerWaalsContact O-CB 3.31Å; F438-F442 WeakPolarHBondContact O-CB 3.38Å; F438-F442 PolarHBondContact O-N 3.3Å; A439-F442 WeakPolarHBondContact O-CB 3.33Å; A439-F442 PolarHBondContact O-N 2.76Å; A439-F442 VanDerWaalsContact O-N 3.1Å; F442-F444 VanDerWaalsContact C-N 3.3Å; F442-F444 PolarHBondContact O-N 2.95Å; F442-L445 PolarHBondContact O-N 2.84Å; F442-N446 HydrophobicContact CE2-CB 4.5Å; F442-N446 VanDerWaalsContact O-CB 3.27Å; F442-N446 WeakPolarHBondContact O-CB 3.37Å; F442-N446 PolarHBondContact O-N 3.18Å; F442-F452 HydrophobicContact CB-CE2 3.78Å; F442-F452 HydrophobicContact CB-CZ 3.96Å; F442-F452 AromaticContact CD2-CE2 3.89Å; F442-F452 HydrophobicContact CD2-CE2 3.89Å; F442-F452 HydrophobicContact CG-CE2 4.28Å
443T95Very high95.8Very high0 Ų028.5 Ų28.50%014%0.136CC..Hα-helixtrans-58.5-44.2175.4-67.30000111.5A229 N230 F259 A439 D440 F441 N446 N447A229-T443 HydrophobicContact CB-CG2 3.8Å; N230-T443 VanDerWaalsContact OD1-CB 3.24Å; N230-T443 WeakPolarHBondContact OD1-CB 3.49Å; N230-T443 WeakPolarHBondContact OD1-CG2 3.42Å; N230-T443 PolarHBondContact OD1-OG1 3.34Å; F259-T443 WeakPolarHBondContact CE1-OG1 3.17Å; F259-T443 VanDerWaalsContact CZ-OG1 3.28Å; F259-T443 WeakPolarHBondContact CZ-OG1 3.4Å; A439-T443 PolarHBondContact O-N 2.88Å; D440-T443 PolarHBondContact O-N 3.02Å; F441-T443 PolarHBondContact O-N 2.92Å; T443-N446 PolarHBondContact O-N 2.87Å; T443-N447 WeakPolarHBondContact O-CB 3.34Å; T443-N447 PolarHBondContact O-N 3.36Å
444F94.5Very high95.7Very high35 Ų3531.5 Ų31.515%0.15415%0.152CC..Hα-helixtrans-60.5-45.8177.2170.7-93.7000112.5H226 W343 D440 F441 F442 N447 K448H226-F444 AromaticContact CE1-CD2 3.77Å; H226-F444 AromaticContact NE2-CD2 3.46Å; H226-F444 WeakPolarHBondContact NE2-CD2 3.31Å; H226-F444 AromaticContact NE2-CE2 3.83Å; W343-F444 HydrophobicContact CH2-CB 3.5Å; W343-F444 AromaticContact CH2-CD1 3.88Å; W343-F444 HydrophobicContact CH2-CD1 3.88Å; W343-F444 AromaticContact CH2-CD2 3.96Å; W343-F444 HydrophobicContact CH2-CD2 3.96Å; W343-F444 AromaticContact CH2-CG 3.53Å; W343-F444 HydrophobicContact CH2-CG 3.53Å; W343-F444 HydrophobicContact CZ2-CB 4.45Å; W343-F444 HydrophobicContact CZ3-CB 4.02Å; W343-F444 AromaticContact CZ3-CD1 3.46Å; W343-F444 HydrophobicContact CZ3-CD1 3.46Å; W343-F444 VanDerWaalsContact CZ3-CD1 3.46Å; W343-F444 HydrophobicContact CZ3-CD2 4.12Å; W343-F444 AromaticContact CZ3-CE1 3.77Å; W343-F444 HydrophobicContact CZ3-CE1 3.77Å; W343-F444 HydrophobicContact CZ3-CE2 4.38Å; W343-F444 AromaticContact CZ3-CG 3.62Å; W343-F444 HydrophobicContact CZ3-CG 3.62Å; W343-F444 HydrophobicContact CZ3-CZ 4.18Å; D440-F444 PolarHBondContact O-N 3.42Å; F441-F444 HydrophobicContact CD2-CD1 4.17Å; F441-F444 HydrophobicContact CE2-CD1 4.22Å; F441-F444 WeakPolarHBondContact O-CB 3.43Å; F441-F444 PolarHBondContact O-N 3.44Å; F442-F444 VanDerWaalsContact C-N 3.3Å; F442-F444 PolarHBondContact O-N 2.95Å; F444-N447 PolarHBondContact O-N 3.3Å; F444-K448 HydrophobicContact CD1-CD 4.47Å; F444-K448 HydrophobicContact CE1-CD 3.93Å; F444-K448 HydrophobicContact CE2-CD 4.47Å; F444-K448 HydrophobicContact CZ-CD 3.97Å; F444-K448 PolarHBondContact O-N 3.18Å
445L95.6Very high95.7Very high2 Ų232 Ų321%0.0116%0.155CC..Hα-helixtrans-67.4-41.5178-65.9-178.5000112F441 F442 N447 K448 K449 I450 F452 Q455F441-L445 HydrophobicContact CD2-CD1 4Å; F441-L445 HydrophobicContact CD2-CD2 4.23Å; F441-L445 HydrophobicContact CD2-CG 3.78Å; F441-L445 HydrophobicContact CE2-CD1 3.83Å; F441-L445 HydrophobicContact CE2-CD2 3.69Å; F441-L445 HydrophobicContact CE2-CG 3.7Å; F441-L445 HydrophobicContact CZ-CD1 4.32Å; F441-L445 WeakPolarHBondContact O-CG 3.49Å; F441-L445 PolarHBondContact O-N 2.8Å; F442-L445 PolarHBondContact O-N 2.84Å; L445-N447 VanDerWaalsContact C-N 3.33Å; L445-N447 PolarHBondContact O-N 2.99Å; L445-K448 CarbonylContact O-C 3.52Å; L445-K448 WeakPolarHBondContact O-CA 3.36Å; L445-K448 WeakPolarHBondContact O-CB 3.32Å; L445-K448 PolarHBondContact O-N 2.89Å; L445-K449 PolarHBondContact O-N 2.81Å; L445-I450 CarbonylContact C-O 3.38Å; L445-I450 HydrophobicContact CB-CG1 4.3Å; L445-I450 HydrophobicContact CD2-CD1 3.65Å; L445-I450 HydrophobicContact CD2-CG1 3.82Å; L445-I450 PolarHBondContact O-N 2.89Å; L445-F452 HydrophobicContact CD1-CB 4.49Å; L445-F452 HydrophobicContact CD1-CD1 3.5Å; L445-F452 HydrophobicContact CD1-CD2 4.14Å; L445-F452 HydrophobicContact CD1-CE1 3.62Å; L445-F452 HydrophobicContact CD1-CE2 4.21Å; L445-F452 HydrophobicContact CD1-CG 3.79Å; L445-F452 HydrophobicContact CD1-CZ 3.99Å; L445-Q455 HydrophobicContact CD1-CB 4.04Å; L445-Q455 HydrophobicContact CD1-CG 4.37Å; L445-Q455 HydrophobicContact CD2-CB 3.89Å; L445-Q455 HydrophobicContact CD2-CG 3.9Å
446N92.7Very high95.5Very high53 Ų5332.1 Ų32.128%0.28316%0.155SC..Hα-helixtrans-62.4-39.3177.7-174.168.1000111.9F442 T443 K448 K449F442-N446 HydrophobicContact CE2-CB 4.5Å; F442-N446 VanDerWaalsContact O-CB 3.27Å; F442-N446 WeakPolarHBondContact O-CB 3.37Å; F442-N446 PolarHBondContact O-N 3.18Å; T443-N446 PolarHBondContact O-N 2.87Å; N446-K448 VanDerWaalsContact C-N 3.26Å; N446-K448 PolarHBondContact O-N 2.87Å; N446-K449 PolarHBondContact O-N 2.79Å
447N92.9Very high95.3Very high95 Ų9536.4 Ų36.451%0.50818%0.175SC..Hα-helixtrans-64.7-30.4173.3-75-12.4000112.7T443 F444 L445 K449T443-N447 WeakPolarHBondContact O-CB 3.34Å; T443-N447 PolarHBondContact O-N 3.36Å; F444-N447 PolarHBondContact O-N 3.3Å; L445-N447 VanDerWaalsContact C-N 3.33Å; L445-N447 PolarHBondContact O-N 2.99Å; N447-K449 VanDerWaalsContact C-N 3.32Å
448K93.4Very high95.1Very high119 Ų11940.1 Ų40.152%0.51720%0.195SC..THydrogen-bonded Turntrans-83.9-4.4172.8-71.3-173.2173.8-169.60114F444 L445 N446 I450F444-K448 HydrophobicContact CD1-CD 4.47Å; F444-K448 HydrophobicContact CE1-CD 3.93Å; F444-K448 HydrophobicContact CE2-CD 4.47Å; F444-K448 HydrophobicContact CZ-CD 3.97Å; F444-K448 PolarHBondContact O-N 3.18Å; L445-K448 CarbonylContact O-C 3.52Å; L445-K448 WeakPolarHBondContact O-CA 3.36Å; L445-K448 WeakPolarHBondContact O-CB 3.32Å; L445-K448 PolarHBondContact O-N 2.89Å; N446-K448 VanDerWaalsContact C-N 3.26Å; N446-K448 PolarHBondContact O-N 2.87Å; K448-I450 VanDerWaalsContact C-N 3.27Å; K448-I450 HydrophobicContact CB-CD1 4.36Å; K448-I450 HydrophobicContact CB-CG1 3.98Å; K448-I450 PolarHBondContact O-N 2.76Å
449K93.5Very high94.9Very high194 Ų19440 Ų4084%0.84320%0.195SC*.THydrogen-bonded Turntrans56.536.6-176.9-53.9-179.2-179.8179.40113.5L445 N446 N447L445-K449 PolarHBondContact O-N 2.81Å; N446-K449 PolarHBondContact O-N 2.79Å; N447-K449 VanDerWaalsContact C-N 3.32Å
450I95.3Very high94.7Very high50 Ų5040.7 Ų40.726%0.25620%0.197SC..  trans-121154.7173.559.6172.3000110.2L445 K448 D454L445-I450 CarbonylContact C-O 3.38Å; L445-I450 HydrophobicContact CB-CG1 4.3Å; L445-I450 HydrophobicContact CD2-CD1 3.65Å; L445-I450 HydrophobicContact CD2-CG1 3.82Å; L445-I450 PolarHBondContact O-N 2.89Å; K448-I450 VanDerWaalsContact C-N 3.27Å; K448-I450 HydrophobicContact CB-CD1 4.36Å; K448-I450 HydrophobicContact CB-CG1 3.98Å; K448-I450 PolarHBondContact O-N 2.76Å; I450-D454 HydrophobicContact CB-CB 4.14Å
451T96.2Very high94.5Very high24 Ų2442.3 Ų42.315%0.14721%0.211CC..  trans-89.2167.8178.6640000112E321 T453 D454 Q455E321-T451 WeakPolarHBondContact OE1-CA 3.36Å; E321-T451 WeakPolarHBondContact OE1-CB 3.45Å; E321-T451 WeakPolarHBondContact OE2-CB 3.29Å; T451-T453 VanDerWaalsContact C-N 3.26Å; T451-T453 PolarHBondContact O-N 2.97Å; T451-D454 WeakPolarHBondContact CB-OD2 3.29Å; T451-D454 PolarHBondContact N-OD2 2.73Å; T451-D454 PolarHBondContact O-N 3.19Å; T451-D454 PolarHBondContact OG1-N 2.94Å; T451-D454 PolarHBondContact OG1-OD2 2.73Å; T451-Q455 PolarHBondContact O-N 2.72Å
452F97.5Very high94.2Very high0 Ų046.4 Ų46.40%023%0.233CC..Hα-helixtrans-62.3-36.1169.2-83.4-77.5000111.7I306 L319 E321 F331 L339 F438 F441 F442 L445 Q455 L456I306-F452 HydrophobicContact CD1-CD2 3.89Å; I306-F452 HydrophobicContact CD1-CE2 3.38Å; I306-F452 HydrophobicContact CD1-CZ 4.38Å; L319-F452 HydrophobicContact CD1-CD2 4.47Å; L319-F452 HydrophobicContact CD2-CD1 4.3Å; L319-F452 HydrophobicContact CD2-CD2 4.36Å; L319-F452 HydrophobicContact CD2-CG 4.16Å; E321-F452 PolarHBondContact OE1-N 2.81Å; E321-F452 PolarHBondContact OE2-N 2.79Å; F331-F452 HydrophobicContact CE1-CB 3.84Å; F331-F452 HydrophobicContact CE2-CB 4.06Å; F331-F452 HydrophobicContact CZ-CB 3.34Å; F331-F452 HydrophobicContact CZ-CG 4.47Å; L339-F452 HydrophobicContact CD1-CB 4.48Å; L339-F452 HydrophobicContact CD1-CD1 3.85Å; L339-F452 HydrophobicContact CD2-CD1 4.15Å; F438-F452 AromaticContact CD1-CE1 3.79Å; F438-F452 HydrophobicContact CD1-CE1 3.79Å; F438-F452 AromaticContact CD1-CZ 3.96Å; F438-F452 HydrophobicContact CD1-CZ 3.96Å; F438-F452 HydrophobicContact CE1-CE1 4.04Å; F441-F452 HydrophobicContact CB-CE1 4.28Å; F441-F452 HydrophobicContact CB-CZ 4.28Å; F441-F452 AromaticContact CD1-CE1 3.63Å; F441-F452 HydrophobicContact CD1-CE1 3.63Å; F441-F452 HydrophobicContact CD1-CZ 4.43Å; F441-F452 HydrophobicContact CD2-CE1 4.44Å; F441-F452 HydrophobicContact CE1-CE1 4.03Å; F441-F452 AromaticContact CG-CE1 3.85Å; F441-F452 HydrophobicContact CG-CE1 3.85Å; F441-F452 HydrophobicContact CG-CZ 4.3Å; F442-F452 HydrophobicContact CB-CE2 3.78Å; F442-F452 HydrophobicContact CB-CZ 3.96Å; F442-F452 AromaticContact CD2-CE2 3.89Å; F442-F452 HydrophobicContact CD2-CE2 3.89Å; F442-F452 HydrophobicContact CG-CE2 4.28Å; L445-F452 HydrophobicContact CD1-CB 4.49Å; L445-F452 HydrophobicContact CD1-CD1 3.5Å; L445-F452 HydrophobicContact CD1-CD2 4.14Å; L445-F452 HydrophobicContact CD1-CE1 3.62Å; L445-F452 HydrophobicContact CD1-CE2 4.21Å; L445-F452 HydrophobicContact CD1-CG 3.79Å; L445-F452 HydrophobicContact CD1-CZ 3.99Å; F452-Q455 PolarHBondContact O-N 2.86Å; F452-L456 WeakPolarHBondContact O-CB 3.31Å; F452-L456 PolarHBondContact O-N 2.98Å
453T95Very high94Very high15 Ų1546.8 Ų46.89%0.09223%0.234CC..Hα-helixtrans-62.4-46174.5-500000111.3E321 Q323 T451 Q455 L456 E457E321-T453 PolarHBondContact OE2-N 3.29Å; Q323-T453 PolarHBondContact NE2-OG1 3.29Å; Q323-T453 PolarHBondContact OE1-OG1 3.5Å; T451-T453 VanDerWaalsContact C-N 3.26Å; T451-T453 PolarHBondContact O-N 2.97Å; T453-Q455 VanDerWaalsContact C-N 3.3Å; T453-Q455 PolarHBondContact O-N 3.2Å; T453-L456 WeakPolarHBondContact O-CB 3.47Å; T453-L456 PolarHBondContact O-N 3.35Å; T453-E457 WeakPolarHBondContact O-CG 3.43Å; T453-E457 PolarHBondContact O-N 3.44Å
454D95.7Very high93.7Very high63 Ų6346.8 Ų46.834%0.33723%0.234SC..Hα-helixtrans-60.4-42.3175.9-61.7-42.5000111I450 T451 L456 E457 N458I450-D454 HydrophobicContact CB-CB 4.14Å; T451-D454 WeakPolarHBondContact CB-OD2 3.29Å; T451-D454 PolarHBondContact N-OD2 2.73Å; T451-D454 PolarHBondContact O-N 3.19Å; T451-D454 PolarHBondContact OG1-N 2.94Å; T451-D454 PolarHBondContact OG1-OD2 2.73Å; D454-L456 VanDerWaalsContact C-N 3.35Å; D454-E457 PolarHBondContact O-N 3.35Å; D454-N458 WeakPolarHBondContact O-CB 3.4Å; D454-N458 VanDerWaalsContact O-CG 3.27Å; D454-N458 PolarHBondContact O-N 3.37Å; D454-N458 PolarHBondContact O-ND2 2.86Å; D454-N458 VanDerWaalsContact O-ND2 3.16Å
455Q96.9Very high93.3Very high11 Ų1145.2 Ų45.25%0.05123%0.227CC..Hα-helixtrans-65.4-39.6178.1-178.356.535.600111.9L339 W342 F441 L445 T451 F452 T453 E457 N458 I459L339-Q455 HydrophobicContact CD2-CB 4.39Å; L339-Q455 HydrophobicContact CD2-CG 4.07Å; W342-Q455 VanDerWaalsContact CZ2-NE2 3.31Å; F441-Q455 HydrophobicContact CE2-CG 4.18Å; F441-Q455 HydrophobicContact CZ-CG 3.75Å; L445-Q455 HydrophobicContact CD1-CB 4.04Å; L445-Q455 HydrophobicContact CD1-CG 4.37Å; L445-Q455 HydrophobicContact CD2-CB 3.89Å; L445-Q455 HydrophobicContact CD2-CG 3.9Å; T451-Q455 PolarHBondContact O-N 2.72Å; F452-Q455 PolarHBondContact O-N 2.86Å; T453-Q455 VanDerWaalsContact C-N 3.3Å; T453-Q455 PolarHBondContact O-N 3.2Å; Q455-E457 VanDerWaalsContact C-N 3.33Å; Q455-N458 PolarHBondContact O-N 3.35Å; Q455-I459 HydrophobicContact CG-CD1 4.17Å; Q455-I459 WeakPolarHBondContact O-CB 3.41Å; Q455-I459 VanDerWaalsContact O-CG1 3.25Å; Q455-I459 WeakPolarHBondContact O-CG1 3.31Å; Q455-I459 PolarHBondContact O-N 3.35Å
456L93.8Very high92.8Very high1 Ų145.7 Ų45.71%0.00523%0.229CC..Hα-helixtrans-63.6-40.1174.8-173.266.8000111.2F331 E335 T338 L339 F452 T453 D454 I459 Y460F331-L456 HydrophobicContact CE1-CD2 4.42Å; E335-L456 HydrophobicContact CB-CD1 4.41Å; E335-L456 HydrophobicContact CB-CD2 3.93Å; E335-L456 HydrophobicContact CG-CD2 3.73Å; T338-L456 HydrophobicContact CG2-CD1 3.64Å; L339-L456 HydrophobicContact CD2-CB 4.36Å; L339-L456 HydrophobicContact CD2-CD1 4.47Å; L339-L456 HydrophobicContact CG-CD1 4.21Å; F452-L456 WeakPolarHBondContact O-CB 3.31Å; F452-L456 PolarHBondContact O-N 2.98Å; T453-L456 WeakPolarHBondContact O-CB 3.47Å; T453-L456 PolarHBondContact O-N 3.35Å; D454-L456 VanDerWaalsContact C-N 3.35Å; L456-I459 WeakPolarHBondContact O-CB 3.48Å; L456-I459 PolarHBondContact O-N 3.13Å; L456-Y460 HydrophobicContact CD1-CE1 4.06Å; L456-Y460 HydrophobicContact CD1-CE2 3.86Å; L456-Y460 HydrophobicContact CD2-CE2 3.86Å; L456-Y460 HydrophobicContact CG-CD2 4.07Å; L456-Y460 HydrophobicContact CG-CE2 3.49Å; L456-Y460 VanDerWaalsContact CG-CE2 3.49Å; L456-Y460 WeakPolarHBondContact O-CD2 3.45Å; L456-Y460 PolarHBondContact O-N 3.41Å
457E92.2Very high92.4Very high91 Ų9145 Ų4543%0.42523%0.226SC..Hα-helixtrans-65-41.3173.6-70.7-172.716700112.5T453 D454 Q455 I459 Y460 A461 K573T453-E457 WeakPolarHBondContact O-CG 3.43Å; T453-E457 PolarHBondContact O-N 3.44Å; D454-E457 PolarHBondContact O-N 3.35Å; Q455-E457 VanDerWaalsContact C-N 3.33Å; E457-I459 VanDerWaalsContact C-N 3.29Å; E457-I459 PolarHBondContact O-N 3.09Å; E457-Y460 PolarHBondContact O-N 2.8Å; E457-A461 VanDerWaalsContact O-CB 3.29Å; E457-A461 WeakPolarHBondContact O-CB 3.35Å; E457-A461 PolarHBondContact O-N 3.05Å; E457-K573 IonicContact OE1-NZ 2.87Å; E457-K573 PolarHBondContact OE1-NZ 3.03Å
458N94.2Very high91.8Very high77 Ų7742.5 Ų42.541%0.41222%0.215SC..Hα-helixtrans-61.9-38.1173.5-73.4-36.4000111.9D454 Q455 N462D454-N458 WeakPolarHBondContact O-CB 3.4Å; D454-N458 VanDerWaalsContact O-CG 3.27Å; D454-N458 PolarHBondContact O-N 3.37Å; D454-N458 PolarHBondContact O-ND2 2.86Å; D454-N458 VanDerWaalsContact O-ND2 3.16Å; Q455-N458 PolarHBondContact O-N 3.35Å; N458-N462 PolarHBondContact O-N 3.41Å; N458-N462 PolarHBondContact O-ND2 3.45Å
459I93.5Very high91.2Very high0 Ų039.4 Ų39.40%020%0.201CC..Hα-helixtrans-64-52.1174.1-74.3167.3000109.7T338 L339 W342 F375 Q455 L456 E457 A461 N462 Y463T338-I459 HydrophobicContact CG2-CG2 3.79Å; L339-I459 HydrophobicContact CD2-CD1 3.96Å; W342-I459 HydrophobicContact CB-CD1 3.7Å; W342-I459 HydrophobicContact CB-CG1 4.27Å; W342-I459 HydrophobicContact CD2-CD1 3.92Å; W342-I459 HydrophobicContact CD2-CG1 4.1Å; W342-I459 HydrophobicContact CE3-CD1 4.31Å; W342-I459 HydrophobicContact CG-CD1 3.64Å; W342-I459 HydrophobicContact CG-CG1 3.8Å; F375-I459 HydrophobicContact CD2-CG2 4.15Å; F375-I459 HydrophobicContact CE1-CG2 4.2Å; F375-I459 HydrophobicContact CE2-CG2 3.09Å; F375-I459 HydrophobicContact CZ-CG2 3.14Å; Q455-I459 HydrophobicContact CG-CD1 4.17Å; Q455-I459 WeakPolarHBondContact O-CB 3.41Å; Q455-I459 VanDerWaalsContact O-CG1 3.25Å; Q455-I459 WeakPolarHBondContact O-CG1 3.31Å; Q455-I459 PolarHBondContact O-N 3.35Å; L456-I459 WeakPolarHBondContact O-CB 3.48Å; L456-I459 PolarHBondContact O-N 3.13Å; E457-I459 VanDerWaalsContact C-N 3.29Å; E457-I459 PolarHBondContact O-N 3.09Å; I459-A461 VanDerWaalsContact C-N 3.29Å; I459-A461 PolarHBondContact O-N 3.08Å; I459-N462 PolarHBondContact O-N 3.26Å; I459-Y463 HydrophobicContact CG2-CD2 4.03Å; I459-Y463 VanDerWaalsContact O-CD2 3.28Å; I459-Y463 WeakPolarHBondContact O-CD2 3.32Å; I459-Y463 PolarHBondContact O-N 2.98Å
460Y92Very high90.4Very high13 Ų1333.3 Ų33.35%0.05118%0.177CC..Hα-helixtrans-64.7-30.6179.8-64.1-30.6000113.8T338 F375 L456 E457 N462 G464 L465 S570T338-Y460 HydrophobicContact CG2-CE1 4Å; F375-Y460 HydrophobicContact CD2-CE1 4.47Å; L456-Y460 HydrophobicContact CD1-CE1 4.06Å; L456-Y460 HydrophobicContact CD1-CE2 3.86Å; L456-Y460 HydrophobicContact CD2-CE2 3.86Å; L456-Y460 HydrophobicContact CG-CD2 4.07Å; L456-Y460 HydrophobicContact CG-CE2 3.49Å; L456-Y460 VanDerWaalsContact CG-CE2 3.49Å; L456-Y460 WeakPolarHBondContact O-CD2 3.45Å; L456-Y460 PolarHBondContact O-N 3.41Å; E457-Y460 PolarHBondContact O-N 2.8Å; Y460-N462 PolarHBondContact O-N 2.86Å; Y460-G464 WeakPolarHBondContact CA-O 3.43Å; Y460-G464 WeakPolarHBondContact CD1-O 3.46Å; Y460-G464 CarbonylContact O-C 3.53Å; Y460-G464 VanDerWaalsContact O-CA 3.3Å; Y460-G464 WeakPolarHBondContact O-CA 3.21Å; Y460-G464 PolarHBondContact O-N 2.97Å; Y460-L465 HydrophobicContact CD1-CD1 4.42Å; Y460-L465 HydrophobicContact CD2-CD1 3.46Å; Y460-L465 VanDerWaalsContact CD2-CD1 3.46Å; Y460-L465 HydrophobicContact CE2-CD1 3.6Å; Y460-L465 HydrophobicContact CG-CD1 3.89Å; Y460-S570 VanDerWaalsContact O-CB 3.31Å; Y460-S570 WeakPolarHBondContact O-CB 3.43Å; Y460-S570 PolarHBondContact O-OG 2.67Å
461A90.8Very high89.5Confident34 Ų3432 Ų3228%0.28117%0.173SC..Hα-helixtrans-66.8-24.9172.400000112.9E457 I459 P567E457-A461 VanDerWaalsContact O-CB 3.29Å; E457-A461 WeakPolarHBondContact O-CB 3.35Å; E457-A461 PolarHBondContact O-N 3.05Å; I459-A461 VanDerWaalsContact C-N 3.29Å; I459-A461 PolarHBondContact O-N 3.08Å; A461-P567 WeakPolarHBondContact O-CB 3.2Å
462N91.9Very high88.8Confident88 Ų8834 Ų3447%0.47118%0.178SC..Hα-helixtrans-96-37-178.8-78.4-53.4000113.4K382 N458 I459 Y460K382-N462 PolarHBondContact NZ-O 2.99Å; N458-N462 PolarHBondContact O-N 3.41Å; N458-N462 PolarHBondContact O-ND2 3.45Å; I459-N462 PolarHBondContact O-N 3.26Å; Y460-N462 PolarHBondContact O-N 2.86Å
463Y90.5Very high88.1Confident17 Ų1734 Ų347%0.06718%0.178CC..Hα-helixtrans-109.9-25.1-172.7-60.6-83.7000113.2W342 Q346 F375 T378 M379 K382 E383 I459W342-Y463 AromaticContact CD1-CE2 3.73Å; Q346-Y463 PolarHBondContact NE2-OH 3.46Å; F375-Y463 HydrophobicContact CE2-CD2 4Å; F375-Y463 HydrophobicContact CE2-CG 4.03Å; F375-Y463 HydrophobicContact CZ-CD2 4.04Å; F375-Y463 HydrophobicContact CZ-CG 4.3Å; T378-Y463 VanDerWaalsContact CG2-O 3.27Å; T378-Y463 WeakPolarHBondContact CG2-O 3.45Å; M379-Y463 HydrophobicContact CB-CD1 4.16Å; M379-Y463 HydrophobicContact CB-CE1 4.28Å; M379-Y463 HydrophobicContact CG-CD1 4.01Å; M379-Y463 HydrophobicContact CG-CE1 3.63Å; M379-Y463 HydrophobicContact SD-CE1 4.42Å; K382-Y463 HydrophobicContact CB-CD1 4.31Å; K382-Y463 HydrophobicContact CB-CE1 4.39Å; K382-Y463 HydrophobicContact CD-CD1 3.63Å; K382-Y463 HydrophobicContact CD-CE1 3.74Å; K382-Y463 HydrophobicContact CG-CD1 4.5Å; K382-Y463 HydrophobicContact CG-CE1 4.41Å; E383-Y463 HydrophobicContact CG-CE1 3.95Å; E383-Y463 PolarHBondContact OE1-OH 3.29Å; I459-Y463 HydrophobicContact CG2-CD2 4.03Å; I459-Y463 VanDerWaalsContact O-CD2 3.28Å; I459-Y463 WeakPolarHBondContact O-CD2 3.32Å; I459-Y463 PolarHBondContact O-N 2.98Å
464G88.8Confident87.2Confident1 Ų137.5 Ų37.51%0.0119%0.19CC..  trans118.7158.5-171.500000111.5Y460 L565Y460-G464 WeakPolarHBondContact CA-O 3.43Å; Y460-G464 WeakPolarHBondContact CD1-O 3.46Å; Y460-G464 CarbonylContact O-C 3.53Å; Y460-G464 VanDerWaalsContact O-CA 3.3Å; Y460-G464 WeakPolarHBondContact O-CA 3.21Å; Y460-G464 PolarHBondContact O-N 2.97Å; G464-L565 CarbonylContact C-O 3.59Å; G464-L565 WeakPolarHBondContact CA-O 3.13Å
465L86.9Confident86.4Confident1 Ų134.6 Ų34.61%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-91.5127.9178.3173.866.8000109.7Y460 L467 I564 L565 K573 A576Y460-L465 HydrophobicContact CD1-CD1 4.42Å; Y460-L465 HydrophobicContact CD2-CD1 3.46Å; Y460-L465 VanDerWaalsContact CD2-CD1 3.46Å; Y460-L465 HydrophobicContact CE2-CD1 3.6Å; Y460-L465 HydrophobicContact CG-CD1 3.89Å; L465-L467 HydrophobicContact CD1-CD2 4.02Å; L465-L467 HydrophobicContact CD1-CG 4.21Å; L465-L467 HydrophobicContact CD2-CD1 4.05Å; L465-L467 HydrophobicContact CD2-CD2 4.35Å; L465-L467 HydrophobicContact CD2-CG 3.89Å; L465-L467 HydrophobicContact CG-CD2 4.32Å; L465-L467 HydrophobicContact CG-CG 3.94Å; L465-I564 WeakPolarHBondContact O-CA 3.5Å; L465-L565 HydrophobicContact CB-CB 4.38Å; L465-L565 HydrophobicContact CD2-CD1 4.47Å; L465-L565 PolarHBondContact N-O 3.31Å; L465-L565 PolarHBondContact O-N 3.04Å; L465-K573 HydrophobicContact CD2-CG 4.19Å; L465-A576 HydrophobicContact CD2-CB 3.85Å
466H84.9Confident84.9Confident12 Ų1235 Ų356%0.05618%0.177CC..EExtended strand (participates in β ladder)trans-108.6112.9170.1-66.8-103.1000108.9D373 F375 T378 E562 I564D373-H466 PolarHBondContact O-CE1 2.88Å; D373-H466 PolarHBondContact O-ND1 3.43Å; F375-H466 PolarHBondContact N-CE1 3.12Å; F375-H466 PolarHBondContact N-ND1 3.08Å; T378-H466 PolarHBondContact OG1-CE1 3.3Å; T378-H466 PolarHBondContact OG1-NE2 2.87Å; T378-H466 VanDerWaalsContact OG1-NE2 3.16Å; H466-E562 IonicContact CG-OE1 3.76Å; H466-E562 IonicContact ND1-OE1 3.91Å; H466-E562 PolarHBondContact ND1-OE1 3.29Å; H466-I564 WeakPolarHBondContact ND1-CG1 3.35Å
467L83.5Confident83.7Confident39 Ų3936.2 Ų36.220%0.20418%0.184CC..EExtended strand (participates in β ladder)trans-108.8124.9172.1-70.8-176.7000109.8L465 E562 I563 A576 L580L465-L467 HydrophobicContact CD1-CD2 4.02Å; L465-L467 HydrophobicContact CD1-CG 4.21Å; L465-L467 HydrophobicContact CD2-CD1 4.05Å; L465-L467 HydrophobicContact CD2-CD2 4.35Å; L465-L467 HydrophobicContact CD2-CG 3.89Å; L465-L467 HydrophobicContact CG-CD2 4.32Å; L465-L467 HydrophobicContact CG-CG 3.94Å; L467-E562 CarbonylContact O-C 3.56Å; L467-E562 VanDerWaalsContact O-CA 3.31Å; L467-E562 WeakPolarHBondContact O-CA 3.46Å; L467-I563 PolarHBondContact N-O 3.01Å; L467-I563 PolarHBondContact O-N 2.82Å; L467-A576 HydrophobicContact CD1-CB 3.43Å; L467-A576 VanDerWaalsContact CD1-CB 3.43Å; L467-L580 HydrophobicContact CB-CD2 4.3Å
468C81.4Confident82.8Confident42 Ų4236.2 Ų36.228%0.28419%0.192SC..EExtended strand (participates in β ladder)trans-111.3148.2179-64.20000111.7N334 I561N334-C468 WeakPolarHBondContact ND2-CB 3.01Å; N334-C468 PolarHBondContact ND2-SG 2.87Å; C468-I561 CarbonylContact C-O 3.49Å; C468-I561 VanDerWaalsContact CA-O 3.3Å; C468-I561 WeakPolarHBondContact CA-O 3.43Å
469Y80.2Confident82Confident55 Ų5538 Ų3822%0.21620%0.201CC..EExtended strand (participates in β ladder)trans-137119.2167.9-176-98.1000110.5Y559 Y560 I561 K584Y469-Y559 AromaticContact CD1-CE2 3.96Å; Y469-Y559 HydrophobicContact CD1-CE2 3.96Å; Y469-Y559 AromaticContact CE1-CE2 3.82Å; Y469-Y559 HydrophobicContact CE1-CE2 3.82Å; Y469-Y560 CarbonylContact O-C 3.52Å; Y469-Y560 WeakPolarHBondContact O-CA 3.45Å; Y469-I561 HydrophobicContact CD1-CD1 4.32Å; Y469-I561 PolarHBondContact N-O 3.13Å; Y469-I561 PolarHBondContact O-N 3.47Å; Y469-K584 HydrophobicContact CD1-CD 3.98Å; Y469-K584 HydrophobicContact CE1-CD 3.54Å; Y469-K584 HydrophobicContact CE1-CG 4.31Å; Y469-K584 VanDerWaalsContact CZ-NZ 3.33Å; Y469-K584 PolarHBondContact OH-NZ 2.95Å
470N76.5Confident81.5Confident66 Ų6639.3 Ų39.335%0.35321%0.207SC..EExtended strand (participates in β ladder)trans-116.4129.8-177.8-56.2-13.3000108.9Y559 Y560N470-Y559 WeakPolarHBondContact CA-O 3.21Å; N470-Y560 HydrophobicContact CB-CD1 3.82Å; N470-Y560 HydrophobicContact CB-CE1 4.04Å; N470-Y560 VanDerWaalsContact CG-CD1 3.42Å; N470-Y560 WeakPolarHBondContact OD1-CD1 3.26Å
471S77.9Confident81.1Confident23 Ų2339.5 Ų39.516%0.16121%0.209CC..EExtended strand (participates in β ladder)trans-156.6-175.5178.2-1680000110.7K558 Y559S471-K558 CarbonylContact O-C 3.51Å; S471-K558 WeakPolarHBondContact O-CA 3.44Å; S471-Y559 VanDerWaalsContact CB-CZ 3.48Å; S471-Y559 WeakPolarHBondContact CB-OH 3.47Å; S471-Y559 PolarHBondContact N-O 3.31Å; S471-Y559 PolarHBondContact O-N 3.12Å; S471-Y559 VanDerWaalsContact O-O 3.07Å
472Y81Confident80.9Confident65 Ų6540.5 Ų40.526%0.25521%0.211SC..EExtended strand (participates in β ladder)trans-149.9156178.664.9-94.3000111.4K556 V557Y472-K556 HydrophobicContact CD1-CD 4.49Å; Y472-K556 HydrophobicContact CD2-CB 4.32Å; Y472-K556 HydrophobicContact CD2-CD 3.66Å; Y472-K556 HydrophobicContact CD2-CG 3.89Å; Y472-K556 HydrophobicContact CE2-CD 3.83Å; Y472-K556 HydrophobicContact CE2-CG 4.26Å; Y472-K556 HydrophobicContact CG-CD 4.03Å; Y472-V557 CarbonylContact C-O 3.53Å; Y472-V557 VanDerWaalsContact CA-O 3.26Å; Y472-V557 WeakPolarHBondContact CA-O 3.2Å; Y472-V557 WeakPolarHBondContact CB-O 3.36Å
473L81.6Confident80.6Confident1 Ų138.7 Ų38.71%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-106143.8164.4-66.7136.9000108.4K556 V557 Y559 I588 F592 P594 L599 I600 M601L473-K556 CarbonylContact O-C 3.46Å; L473-K556 VanDerWaalsContact O-CA 3.28Å; L473-K556 WeakPolarHBondContact O-CA 3.36Å; L473-V557 PolarHBondContact N-O 3.43Å; L473-V557 PolarHBondContact O-N 2.91Å; L473-Y559 HydrophobicContact CD1-CD1 4.4Å; L473-Y559 HydrophobicContact CD1-CE1 4.35Å; L473-Y559 HydrophobicContact CG-CE1 4.48Å; L473-I588 HydrophobicContact CD1-CD1 3.82Å; L473-I588 HydrophobicContact CD2-CD1 4.43Å; L473-I588 HydrophobicContact CG-CD1 4.38Å; L473-F592 HydrophobicContact CD1-CB 3.87Å; L473-F592 HydrophobicContact CD1-CD1 3.1Å; L473-F592 HydrophobicContact CD1-CD2 3.93Å; L473-F592 HydrophobicContact CD1-CE1 3.46Å; L473-F592 VanDerWaalsContact CD1-CE1 3.46Å; L473-F592 HydrophobicContact CD1-CE2 4.26Å; L473-F592 HydrophobicContact CD1-CG 3.34Å; L473-F592 HydrophobicContact CD1-CZ 4.05Å; L473-P594 HydrophobicContact CD2-CB 4.29Å; L473-P594 HydrophobicContact CD2-CG 4.12Å; L473-L599 HydrophobicContact CB-CB 4.02Å; L473-L599 HydrophobicContact CD1-CD1 4.2Å; L473-L599 HydrophobicContact CD2-CB 4.25Å; L473-I600 WeakPolarHBondContact CA-O 3.43Å; L473-M601 HydrophobicContact CD2-CB 4.27Å; L473-M601 HydrophobicContact CD2-CG 3.62Å; L473-M601 HydrophobicContact CD2-SD 3.92Å
474R77Confident80.8Confident88 Ų8837.9 Ų37.933%0.33220%0.202SC..EExtended strand (participates in β ladder)trans-77.2133.4173.1-171.3-176.8177.2161.70108.8P555 L599 I600R474-P555 CarbonylContact C-O 3.59Å; R474-P555 WeakPolarHBondContact CA-O 3.4Å; R474-P555 VanDerWaalsContact CG-O 3.25Å; R474-P555 WeakPolarHBondContact CG-O 3.48Å; R474-L599 WeakPolarHBondContact O-CA 3.46Å; R474-I600 HydrophobicContact CB-CB 4.11Å; R474-I600 HydrophobicContact CB-CD1 4.27Å; R474-I600 HydrophobicContact CG-CD1 4.36Å; R474-I600 PolarHBondContact N-O 2.82Å; R474-I600 PolarHBondContact O-N 3.39Å
475C78.7Confident81Confident1 Ų137.8 Ų37.81%0.00720%0.202CC..  trans-120.393.9176-1760000108N477 M481 P555 V557 L599C475-N477 VanDerWaalsContact C-N 3.28Å; C475-N477 PolarHBondContact O-N 3.44Å; C475-N477 PolarHBondContact SG-O 3.46Å; C475-M481 HydrophobicContact CB-CE 4.26Å; C475-M481 PolarHBondContact SG-N 3.12Å; C475-P555 CarbonylContact C-O 3.39Å; C475-P555 PolarHBondContact N-O 3.34Å; C475-P555 CarbonylContact O-C 3.37Å; C475-P555 WeakPolarHBondContact O-CA 3.41Å; C475-P555 WeakPolarHBondContact O-CB 3.47Å; C475-V557 HydrophobicContact CB-CG2 3.86Å; C475-L599 HydrophobicContact CB-CD2 3.78Å
476P65.7Low81.2Confident19 Ų1940.7 Ų40.712%0.12322%0.217CC..SBendtrans-66.3-30.5-171-15.627.9000113.4I600 N798P476-I600 HydrophobicContact CG-CD1 3.73Å; P476-N798 WeakPolarHBondContact CB-O 3.25Å
477N69.2Low81.5Confident27 Ų2742 Ų4214%0.14423%0.225CC..SBendtrans-115.6123.7179.3-169.2-25000110.9C475 N479 F480C475-N477 VanDerWaalsContact C-N 3.28Å; C475-N477 PolarHBondContact O-N 3.44Å; C475-N477 PolarHBondContact SG-O 3.46Å; N477-N479 PolarHBondContact O-N 2.71Å; N477-N479 VanDerWaalsContact O-N 3.1Å; N477-N479 WeakPolarHBondContact OD1-CB 3.38Å; N477-N479 PolarHBondContact OD1-N 3.31Å; N477-F480 HydrophobicContact CB-CD2 3.47Å; N477-F480 VanDerWaalsContact CB-CD2 3.47Å; N477-F480 HydrophobicContact CB-CE2 3.56Å; N477-F480 HydrophobicContact CB-CG 4.02Å; N477-F480 HydrophobicContact CB-CZ 4.2Å; N477-F480 WeakPolarHBondContact O-CB 3.24Å; N477-F480 PolarHBondContact O-N 3.46Å
478P71.9Confident82Confident91 Ų9140.4 Ų40.459%0.59122%0.216SC*.Hα-helixtrans-52.2-31173.6-26.634.6000114.2F480 M481 V482P478-F480 VanDerWaalsContact C-N 3.3Å; P478-F480 PolarHBondContact O-N 3.13Å; P478-M481 VanDerWaalsContact O-CB 3.23Å; P478-M481 WeakPolarHBondContact O-CB 3.28Å; P478-M481 PolarHBondContact O-N 3.4Å; P478-M481 VanDerWaalsContact O-N 3.15Å; P478-V482 PolarHBondContact O-N 2.91Å; P478-V482 VanDerWaalsContact O-N 3.16Å
479N77.5Confident82.6Confident114 Ų11440.4 Ų40.461%0.6121%0.21SC*.Hα-helixtrans-66.7-30178.9-66.8-16000113N477 M481 V482 S483N477-N479 PolarHBondContact O-N 2.71Å; N477-N479 VanDerWaalsContact O-N 3.1Å; N477-N479 WeakPolarHBondContact OD1-CB 3.38Å; N477-N479 PolarHBondContact OD1-N 3.31Å; N479-M481 VanDerWaalsContact C-N 3.3Å; N479-V482 PolarHBondContact O-N 3.44Å; N479-S483 PolarHBondContact O-N 3.01Å
480F82.8Confident83.1Confident29 Ų2945 Ų4513%0.12723%0.231CC..Hα-helixtrans-69.8-33174.6-61.4-31.9000111.6N477 P478 S483 L484 H597 C598N477-F480 HydrophobicContact CB-CD2 3.47Å; N477-F480 VanDerWaalsContact CB-CD2 3.47Å; N477-F480 HydrophobicContact CB-CE2 3.56Å; N477-F480 HydrophobicContact CB-CG 4.02Å; N477-F480 HydrophobicContact CB-CZ 4.2Å; N477-F480 WeakPolarHBondContact O-CB 3.24Å; N477-F480 PolarHBondContact O-N 3.46Å; P478-F480 VanDerWaalsContact C-N 3.3Å; P478-F480 PolarHBondContact O-N 3.13Å; F480-S483 PolarHBondContact O-N 2.65Å; F480-L484 WeakPolarHBondContact O-CB 3.41Å; F480-L484 PolarHBondContact O-N 2.85Å; F480-H597 WeakPolarHBondContact CB-O 3.47Å; F480-C598 HydrophobicContact CD1-CB 4.46Å; F480-C598 HydrophobicContact CD2-CB 3.58Å; F480-C598 HydrophobicContact CE1-CB 4.45Å; F480-C598 HydrophobicContact CE2-CB 3.58Å; F480-C598 HydrophobicContact CG-CB 4.07Å; F480-C598 HydrophobicContact CZ-CB 4.05Å
481M85Confident83.5Confident16 Ų1644.7 Ų44.78%0.07924%0.238CC..Hα-helixtrans-62.2-46.3171-168.9-179.8-60.900110.6C475 P478 N479 S483 L484 F485 G550 K556 V557C475-M481 HydrophobicContact CB-CE 4.26Å; C475-M481 PolarHBondContact SG-N 3.12Å; P478-M481 VanDerWaalsContact O-CB 3.23Å; P478-M481 WeakPolarHBondContact O-CB 3.28Å; P478-M481 PolarHBondContact O-N 3.4Å; P478-M481 VanDerWaalsContact O-N 3.15Å; N479-M481 VanDerWaalsContact C-N 3.3Å; M481-S483 VanDerWaalsContact C-N 3.35Å; M481-S483 PolarHBondContact O-N 3.4Å; M481-L484 PolarHBondContact O-N 3.28Å; M481-F485 HydrophobicContact CG-CD2 4.26Å; M481-F485 HydrophobicContact CG-CE2 4.2Å; M481-F485 VanDerWaalsContact O-CD2 3.29Å; M481-F485 WeakPolarHBondContact O-CD2 3.08Å; M481-F485 PolarHBondContact O-N 2.86Å; M481-G550 WeakPolarHBondContact SD-CA 3.5Å; M481-K556 VanDerWaalsContact CE-O 3.3Å; M481-K556 WeakPolarHBondContact CE-O 3.42Å; M481-V557 HydrophobicContact CB-CG2 4.49Å; M481-V557 HydrophobicContact CE-CG2 3.98Å; M481-V557 HydrophobicContact CG-CG2 3.96Å
482V85.7Confident83.8Confident56 Ų5644.4 Ų44.434%0.33924%0.239SC..Hα-helixtrans-57.7-48.8176.2179.50000110.8P478 N479 L484 F485 D486P478-V482 PolarHBondContact O-N 2.91Å; P478-V482 VanDerWaalsContact O-N 3.16Å; N479-V482 PolarHBondContact O-N 3.44Å; V482-L484 PolarHBondContact O-N 2.84Å; V482-F485 PolarHBondContact O-N 3.26Å; V482-D486 PolarHBondContact O-N 2.89Å
483S87Confident83.4Confident49 Ų4946.8 Ų46.834%0.34326%0.262SS..Hα-helixtrans-60.6-39.6178.51730000113.7N479 F480 M481 D486 D487N479-S483 PolarHBondContact O-N 3.01Å; F480-S483 PolarHBondContact O-N 2.65Å; M481-S483 VanDerWaalsContact C-N 3.35Å; M481-S483 PolarHBondContact O-N 3.4Å; S483-D486 PolarHBondContact O-N 3.29Å; S483-D487 PolarHBondContact O-N 3.1Å
484L92.8Very high82.7Confident0 Ų052 Ų520%029%0.29CS..Hα-helixtrans-56.8-51.117417068.1000111F480 M481 V482 D486 D487 L488 I548 V557 F591 F592 H597 L599F480-L484 WeakPolarHBondContact O-CB 3.41Å; F480-L484 PolarHBondContact O-N 2.85Å; M481-L484 PolarHBondContact O-N 3.28Å; V482-L484 PolarHBondContact O-N 2.84Å; L484-D486 VanDerWaalsContact C-N 3.34Å; L484-D486 PolarHBondContact O-N 3.13Å; L484-D487 PolarHBondContact O-N 2.75Å; L484-L488 HydrophobicContact CD1-CD1 4.19Å; L484-L488 HydrophobicContact CD1-CG 4.31Å; L484-L488 HydrophobicContact CG-CD1 4.13Å; L484-L488 VanDerWaalsContact O-CG 3.29Å; L484-L488 WeakPolarHBondContact O-CG 3.03Å; L484-L488 PolarHBondContact O-N 2.95Å; L484-I548 HydrophobicContact CD2-CG2 4.27Å; L484-V557 HydrophobicContact CD2-CB 4.47Å; L484-V557 HydrophobicContact CD2-CG1 3.93Å; L484-V557 HydrophobicContact CD2-CG2 4.12Å; L484-F591 WeakPolarHBondContact CD1-O 3.5Å; L484-F592 HydrophobicContact CD2-CD1 4.11Å; L484-F592 HydrophobicContact CD2-CE1 4.18Å; L484-H597 VanDerWaalsContact CA-CE1 3.43Å; L484-H597 WeakPolarHBondContact CA-CE1 3.48Å; L484-H597 WeakPolarHBondContact CA-ND1 3.44Å; L484-H597 HydrophobicContact CB-CB 4.25Å; L484-H597 HydrophobicContact CD1-CB 4.45Å; L484-H597 WeakPolarHBondContact CD1-CD2 3.35Å; L484-H597 PolarHBondContact N-ND1 3.18Å; L484-L599 HydrophobicContact CD2-CD1 4Å
485F93.1Very high82.4Confident0 Ų054.1 Ų54.10%030%0.302CS..Hα-helixtrans-69.4-33.5-177.2-81.7-97.5000112.4M481 V482 D487 L488 R489 H534 I536 I548 V557M481-F485 HydrophobicContact CG-CD2 4.26Å; M481-F485 HydrophobicContact CG-CE2 4.2Å; M481-F485 VanDerWaalsContact O-CD2 3.29Å; M481-F485 WeakPolarHBondContact O-CD2 3.08Å; M481-F485 PolarHBondContact O-N 2.86Å; V482-F485 PolarHBondContact O-N 3.26Å; F485-D487 VanDerWaalsContact C-N 3.34Å; F485-L488 PolarHBondContact O-N 3.38Å; F485-R489 VanDerWaalsContact O-CD 3.32Å; F485-R489 WeakPolarHBondContact O-CD 3.35Å; F485-R489 WeakPolarHBondContact O-CG 3.44Å; F485-R489 PolarHBondContact O-N 2.91Å; F485-R489 VanDerWaalsContact O-N 3.15Å; F485-H534 WeakPolarHBondContact CB-ND1 3.49Å; F485-H534 HydrophobicContact CD1-CB 3.91Å; F485-H534 AromaticContact CD1-ND1 3.97Å; F485-H534 HydrophobicContact CD2-CB 3.74Å; F485-H534 AromaticContact CD2-CG 3.95Å; F485-H534 AromaticContact CD2-ND1 3.83Å; F485-H534 HydrophobicContact CE1-CB 3.82Å; F485-H534 WeakPolarHBondContact CE1-O 3.24Å; F485-H534 HydrophobicContact CE2-CB 3.62Å; F485-H534 HydrophobicContact CG-CB 3.88Å; F485-H534 AromaticContact CG-CG 3.96Å; F485-H534 AromaticContact CG-ND1 3.46Å; F485-H534 WeakPolarHBondContact CG-ND1 3.11Å; F485-H534 VanDerWaalsContact CZ-C 3.44Å; F485-H534 HydrophobicContact CZ-CB 3.66Å; F485-H534 WeakPolarHBondContact CZ-O 3.35Å; F485-I536 HydrophobicContact CD1-CD1 3.56Å; F485-I536 HydrophobicContact CD1-CG1 3.76Å; F485-I536 HydrophobicContact CE1-CB 4.37Å; F485-I536 HydrophobicContact CE1-CD1 4.07Å; F485-I536 HydrophobicContact CE1-CG1 3.85Å; F485-I536 HydrophobicContact CG-CD1 4.49Å; F485-I548 HydrophobicContact CE1-CG2 4.46Å; F485-I548 HydrophobicContact CE2-CG2 4.17Å; F485-I548 HydrophobicContact CZ-CG2 3.78Å; F485-I548 WeakPolarHBondContact CZ-O 3.44Å; F485-V557 HydrophobicContact CE2-CG1 4.27Å
486D91.5Very high82.7Confident61 Ų6154.8 Ų54.833%0.32631%0.309SS..Hα-helixtrans-66.2-35.5174.3-72.6-11.6000112.7V482 S483 L484 R489 K490V482-D486 PolarHBondContact O-N 2.89Å; S483-D486 PolarHBondContact O-N 3.29Å; L484-D486 VanDerWaalsContact C-N 3.34Å; L484-D486 PolarHBondContact O-N 3.13Å; D486-R489 PolarHBondContact O-N 3.24Å; D486-R489 IonicContact OD1-NH1 2.72Å; D486-R489 PolarHBondContact OD1-NH1 2.81Å; D486-K490 WeakPolarHBondContact O-CG 3.13Å; D486-K490 PolarHBondContact O-N 3.42Å
487D92.2Very high84Confident41 Ų4154.4 Ų54.422%0.21931%0.305CS..Hα-helixtrans-75.4-38176.4-79.10.7000112S483 L484 F485 R489 K490 A491 K596 H597S483-D487 PolarHBondContact O-N 3.1Å; L484-D487 PolarHBondContact O-N 2.75Å; F485-D487 VanDerWaalsContact C-N 3.34Å; D487-R489 PolarHBondContact O-N 2.99Å; D487-K490 CarbonylContact O-C 3.58Å; D487-K490 PolarHBondContact O-N 3.43Å; D487-A491 PolarHBondContact O-N 2.87Å; D487-K596 WeakPolarHBondContact OD2-CE 3.35Å; D487-K596 IonicContact OD2-NZ 2.79Å; D487-K596 PolarHBondContact OD2-NZ 3.4Å; D487-H597 IonicContact OD2-CE1 3.58Å; D487-H597 PolarHBondContact OD2-CE1 2.95Å; D487-H597 IonicContact OD2-NE2 3.35Å
488L94Very high85Confident5 Ų553.9 Ų53.93%0.02630%0.304CS..Hα-helixtrans-57.8-30.7170.8-71.4174.1000112L484 F485 K490 Y497 I536 I548 F591L484-L488 HydrophobicContact CD1-CD1 4.19Å; L484-L488 HydrophobicContact CD1-CG 4.31Å; L484-L488 HydrophobicContact CG-CD1 4.13Å; L484-L488 VanDerWaalsContact O-CG 3.29Å; L484-L488 WeakPolarHBondContact O-CG 3.03Å; L484-L488 PolarHBondContact O-N 2.95Å; F485-L488 PolarHBondContact O-N 3.38Å; L488-K490 VanDerWaalsContact C-N 3.32Å; L488-Y497 WeakPolarHBondContact O-CD1 3.48Å; L488-I536 HydrophobicContact CB-CD1 3.72Å; L488-I536 HydrophobicContact CD1-CD1 4.05Å; L488-I548 HydrophobicContact CD1-CB 4.48Å; L488-I548 HydrophobicContact CD1-CD1 3.88Å; L488-I548 HydrophobicContact CD1-CG2 4.2Å; L488-I548 HydrophobicContact CD2-CD1 4.3Å; L488-F591 HydrophobicContact CD2-CB 4.01Å; L488-F591 HydrophobicContact CD2-CD1 3.88Å; L488-F591 HydrophobicContact CD2-CG 4.42Å; L488-F591 WeakPolarHBondContact CD2-O 3.39Å
489R93.6Very high85.9Confident41 Ų4151.1 Ų51.116%0.15529%0.289CS..THydrogen-bonded Turntrans-82.8-0.1174.7-67.5163.7-174.4146.3-1114.2F485 D486 D487 G496 Y497 D511 I536F485-R489 VanDerWaalsContact O-CD 3.32Å; F485-R489 WeakPolarHBondContact O-CD 3.35Å; F485-R489 WeakPolarHBondContact O-CG 3.44Å; F485-R489 PolarHBondContact O-N 2.91Å; F485-R489 VanDerWaalsContact O-N 3.15Å; D486-R489 PolarHBondContact O-N 3.24Å; D486-R489 IonicContact OD1-NH1 2.72Å; D486-R489 PolarHBondContact OD1-NH1 2.81Å; D487-R489 PolarHBondContact O-N 2.99Å; R489-G496 CarbonylContact C-O 3.42Å; R489-G496 CarbonylContact O-C 3.17Å; R489-G496 WeakPolarHBondContact O-CA 3.4Å; R489-Y497 HydrophobicContact CB-CE1 4.31Å; R489-Y497 HydrophobicContact CG-CE1 3.71Å; R489-D511 WeakPolarHBondContact CG-OD2 3.27Å; R489-D511 IonicContact CZ-OD1 3.64Å; R489-D511 IonicContact CZ-OD2 3.8Å; R489-D511 IonicContact NE-OD1 3.63Å; R489-D511 IonicContact NE-OD2 2.78Å; R489-D511 PolarHBondContact NE-OD2 2.67Å; R489-D511 IonicContact NH2-OD1 2.82Å; R489-D511 PolarHBondContact NH2-OD1 3.23Å; R489-D511 VanDerWaalsContact NH2-OD1 3.11Å; R489-D511 IonicContact NH2-OD2 2.71Å; R489-I536 HydrophobicContact CG-CD1 4.36Å
490K90.8Very high86.7Confident151 Ų15151.4 Ų51.466%0.65729%0.285SS*.THydrogen-bonded Turntrans-125.41177.2-66.1170.5-170.7164.60113.8D486 D487 L488 G492 G496D486-K490 WeakPolarHBondContact O-CG 3.13Å; D486-K490 PolarHBondContact O-N 3.42Å; D487-K490 CarbonylContact O-C 3.58Å; D487-K490 PolarHBondContact O-N 3.43Å; L488-K490 VanDerWaalsContact C-N 3.32Å; K490-G492 VanDerWaalsContact C-N 3.31Å; K490-G492 PolarHBondContact O-N 3.16Å; K490-G496 CarbonylContact C-O 3.46Å; K490-G496 WeakPolarHBondContact CA-O 3.45Å; K490-G496 PolarHBondContact N-O 3.14Å
491A85.3Confident87.1Confident60 Ų6050 Ų5050%0.49628%0.279SS..SBendtrans-67-12.5-17400000116.5D487 G496 A498D487-A491 PolarHBondContact O-N 2.87Å; A491-G496 PolarHBondContact N-O 3.23Å; A491-A498 HydrophobicContact CB-CB 4.16Å
492G82.9Confident87.2Confident18 Ų1851 Ų5119%0.18629%0.294CS..BIsolated β-bridgetrans-160.1173.9-177.400000117K490 N494 G496 Y497K490-G492 VanDerWaalsContact C-N 3.31Å; K490-G492 PolarHBondContact O-N 3.16Å; G492-N494 VanDerWaalsContact C-N 3.31Å; G492-N494 PolarHBondContact O-N 3.49Å; G492-G496 PolarHBondContact N-O 3.41Å; G492-G496 VanDerWaalsContact N-O 3.09Å; G492-G496 CarbonylContact O-C 3.59Å; G492-G496 WeakPolarHBondContact O-CA 3.4Å; G492-G496 PolarHBondContact O-N 2.89Å; G492-Y497 CarbonylContact C-O 3.56Å; G492-Y497 WeakPolarHBondContact CA-O 3.25Å; G492-Y497 PolarHBondContact N-O 3.39Å
493P74Confident87.3Confident114 Ų11456.6 Ų56.674%0.7432%0.316SS*.THydrogen-bonded Turntrans-70.7-23.9-170.627.8-34.8000113.6K495P493-K495 PolarHBondContact O-N 3.44Å
494N65.9Low87.5Confident111 Ų11156.5 Ų56.559%0.59431%0.31SS*.BIsolated β-bridgetrans-91.390.5-174.8-71.9-14.9000111.1G492 G496 Y497G492-N494 VanDerWaalsContact C-N 3.31Å; G492-N494 PolarHBondContact O-N 3.49Å; N494-G496 PolarHBondContact O-N 3.03Å; N494-Y497 PolarHBondContact O-N 3.41Å
495K71.6Confident87.5Confident132 Ų13260.7 Ų60.757%0.57433%0.329SS*.THydrogen-bonded Turntrans54.222.3-176.4-56.2-155-168.7179.20114.4P493 Y516 N523P493-K495 PolarHBondContact O-N 3.44Å; K495-Y516 HydrophobicContact CD-CD2 4.46Å; K495-Y516 HydrophobicContact CD-CE2 3.61Å; K495-N523 PolarHBondContact NZ-ND2 3.48Å
496G84Confident87.5Confident15 Ų1561.8 Ų61.816%0.15534%0.336CS..BIsolated β-bridgetrans95-6.9176.900000115.7R489 K490 A491 G492 N494R489-G496 CarbonylContact C-O 3.42Å; R489-G496 CarbonylContact O-C 3.17Å; R489-G496 WeakPolarHBondContact O-CA 3.4Å; K490-G496 CarbonylContact C-O 3.46Å; K490-G496 WeakPolarHBondContact CA-O 3.45Å; K490-G496 PolarHBondContact N-O 3.14Å; A491-G496 PolarHBondContact N-O 3.23Å; G492-G496 PolarHBondContact N-O 3.41Å; G492-G496 VanDerWaalsContact N-O 3.09Å; G492-G496 CarbonylContact O-C 3.59Å; G492-G496 WeakPolarHBondContact O-CA 3.4Å; G492-G496 PolarHBondContact O-N 2.89Å; N494-G496 PolarHBondContact O-N 3.03Å
497Y92.6Very high87.6Confident12 Ų1263.1 Ų63.15%0.04734%0.339CS..BIsolated β-bridgetrans-93.6155.5179.8-58-81.8000112.7L488 R489 G492 N494 V509 D511 V514 Y516 I536L488-Y497 WeakPolarHBondContact O-CD1 3.48Å; R489-Y497 HydrophobicContact CB-CE1 4.31Å; R489-Y497 HydrophobicContact CG-CE1 3.71Å; G492-Y497 CarbonylContact C-O 3.56Å; G492-Y497 WeakPolarHBondContact CA-O 3.25Å; G492-Y497 PolarHBondContact N-O 3.39Å; N494-Y497 PolarHBondContact O-N 3.41Å; Y497-V509 HydrophobicContact CD1-CG1 3.66Å; Y497-V509 HydrophobicContact CD2-CB 4.5Å; Y497-V509 HydrophobicContact CD2-CG1 4.1Å; Y497-V509 HydrophobicContact CE1-CG1 4.04Å; Y497-V509 HydrophobicContact CE2-CG1 4.46Å; Y497-V509 HydrophobicContact CG-CB 4.3Å; Y497-V509 HydrophobicContact CG-CG1 3.67Å; Y497-V509 HydrophobicContact CG-CG2 4.36Å; Y497-D511 HydrophobicContact CE1-CB 4.13Å; Y497-D511 WeakPolarHBondContact OH-CB 3.49Å; Y497-D511 VanDerWaalsContact OH-CG 3.31Å; Y497-D511 PolarHBondContact OH-OD2 3.45Å; Y497-V514 WeakPolarHBondContact OH-CG2 3.33Å; Y497-Y516 HydrophobicContact CD2-CD1 4.03Å; Y497-Y516 AromaticContact CD2-CE1 3.65Å; Y497-Y516 HydrophobicContact CD2-CE1 3.65Å; Y497-Y516 AromaticContact CE2-CD1 3.3Å; Y497-Y516 HydrophobicContact CE2-CD1 3.3Å; Y497-Y516 AromaticContact CE2-CE1 3.39Å; Y497-Y516 HydrophobicContact CE2-CE1 3.39Å; Y497-Y516 HydrophobicContact CE2-CG 4.2Å; Y497-Y516 AromaticContact CZ-CD1 3.87Å; Y497-I536 HydrophobicContact CE1-CD1 4.24Å; Y497-I536 HydrophobicContact CE1-CG2 4.5Å
498A91.2Very high87.6Confident15 Ų1564 Ų6412%0.12434%0.339CS..  trans-59.5136.1179.100000111.9A491 V506 Y538 F591A491-A498 HydrophobicContact CB-CB 4.16Å; A498-V506 WeakPolarHBondContact O-CG2 3.35Å; A498-Y538 HydrophobicContact CB-CE1 4.33Å; A498-F591 HydrophobicContact CB-CE1 3.7Å; A498-F591 HydrophobicContact CB-CZ 3.83Å
499A91.5Very high87.5Confident34 Ų3464 Ų6428%0.28134%0.34SS..SBendtrans-86.7-15.3179.100000113.6Q505 V506A499-Q505 PolarHBondContact O-OE1 2.76Å; A499-V506 PolarHBondContact O-N 3.45Å
500K92.6Very high87.4Confident119 Ų11962.3 Ų62.352%0.51733%0.333SS..EExtended strand (participates in β ladder)trans-143154.5-177.7-61.4-168.8-169.2-163.50111.6F504 Q505 F591K500-F504 CarbonylContact C-O 3.21Å; K500-F504 WeakPolarHBondContact CA-O 3.38Å; K500-Q505 VanDerWaalsContact CG-OE1 3.27Å; K500-F591 WeakPolarHBondContact O-CZ 3.44Å
501C91.3Very high87.5Confident0 Ų055.1 Ų55.10%030%0.302CS..EExtended strand (participates in β ladder)trans-130.5101.6166.2-173.80000107.7E503 F504 L540 F546 F591C501-E503 PolarHBondContact O-N 3.18Å; C501-F504 PolarHBondContact N-O 3.01Å; C501-F504 PolarHBondContact O-N 3.23Å; C501-F504 VanDerWaalsContact O-N 3.12Å; C501-L540 HydrophobicContact CB-CD1 4.14Å; C501-L540 HydrophobicContact CB-CD2 3.62Å; C501-F546 HydrophobicContact CB-CE1 4.06Å; C501-F546 HydrophobicContact CB-CZ 4.48Å; C501-F591 HydrophobicContact CB-CE2 3.74Å; C501-F591 HydrophobicContact CB-CZ 3.86Å; C501-F591 WeakPolarHBondContact SG-CE2 3.41Å
502G88.1Confident87.8Confident38 Ų3852.3 Ų52.339%0.39228%0.279SS..THydrogen-bonded Turntrans63-127.4-174.800000111.3F504 V586G502-F504 VanDerWaalsContact C-N 3.31Å; G502-V586 VanDerWaalsContact N-CG1 3.27Å
503E87.8Confident88Confident172 Ų17251.7 Ų51.780%0.80427%0.272SS*.THydrogen-bonded Turntrans-78.3-12.4177.265.7-171.7144.200114C501C501-E503 PolarHBondContact O-N 3.18Å
504F90.8Very high88.8Confident48 Ų4849.5 Ų49.521%0.21126%0.257CS..EExtended strand (participates in β ladder)trans-95.5138.6-175.4-53.3-68.9000112.3K500 C501 G502 L540 N542 L583K500-F504 CarbonylContact C-O 3.21Å; K500-F504 WeakPolarHBondContact CA-O 3.38Å; C501-F504 PolarHBondContact N-O 3.01Å; C501-F504 PolarHBondContact O-N 3.23Å; C501-F504 VanDerWaalsContact O-N 3.12Å; G502-F504 VanDerWaalsContact C-N 3.31Å; F504-L540 HydrophobicContact CB-CB 4.05Å; F504-L540 HydrophobicContact CB-CD1 4.03Å; F504-L540 HydrophobicContact CB-CD2 4.43Å; F504-L540 HydrophobicContact CB-CG 4.39Å; F504-L540 HydrophobicContact CD2-CD1 4.16Å; F504-L540 HydrophobicContact CG-CD1 4.37Å; F504-N542 HydrophobicContact CD1-CB 3.8Å; F504-N542 HydrophobicContact CE1-CB 3.85Å; F504-N542 VanDerWaalsContact CE1-ND2 3.28Å; F504-N542 WeakPolarHBondContact CE1-ND2 3.19Å; F504-N542 WeakPolarHBondContact CZ-ND2 3.22Å; F504-L583 HydrophobicContact CD2-CD1 4.49Å
505Q93.2Very high90Very high88 Ų8844.7 Ų44.741%0.41123%0.233SC..EExtended strand (participates in β ladder)trans-75.3143.3169.7-59.7-75-700109.9A499 K500 K507 L540 E541A499-Q505 PolarHBondContact O-OE1 2.76Å; K500-Q505 VanDerWaalsContact CG-OE1 3.27Å; Q505-K507 PolarHBondContact O-N 2.95Å; Q505-L540 CarbonylContact O-C 3.59Å; Q505-L540 WeakPolarHBondContact O-CA 3.41Å; Q505-E541 HydrophobicContact CB-CG 3.81Å; Q505-E541 PolarHBondContact O-N 3.24Å
506V93.4Very high90.9Very high23 Ų2339.8 Ų39.814%0.13921%0.211CC..EExtended strand (participates in β ladder)trans-78.9112.7170.4174.10000107.9A498 A499 Y508 V509 Y538 T539 L540A498-V506 WeakPolarHBondContact O-CG2 3.35Å; A499-V506 PolarHBondContact O-N 3.45Å; V506-Y508 WeakPolarHBondContact CG1-O 3.44Å; V506-V509 HydrophobicContact CG1-CG2 3.55Å; V506-Y538 HydrophobicContact CG1-CD1 3.9Å; V506-Y538 HydrophobicContact CG2-CD1 4.08Å; V506-T539 CarbonylContact C-O 3.47Å; V506-L540 HydrophobicContact CG2-CD2 3.85Å
507K92.3Very high91.3Very high89 Ų8939.2 Ų39.239%0.38721%0.205SC..EExtended strand (participates in β ladder)trans-74-46.9175.6-170.7178.2-175.7174.30110.7Q505 T539 E541Q505-K507 PolarHBondContact O-N 2.95Å; K507-T539 PolarHBondContact N-O 3.27Å; K507-E541 HydrophobicContact CB-CG 4.2Å
508Y92Very high91.2Very high59 Ų5940.9 Ų40.923%0.23122%0.215CC..EExtended strand (participates in β ladder)trans-147158.5-178.1-50.3-67.6000113.8R369 E371 V506 N518 T539R369-Y508 VanDerWaalsContact NH1-CB 3.29Å; R369-Y508 VanDerWaalsContact NH1-CD2 3.26Å; E371-Y508 WeakPolarHBondContact OE2-CE2 3.47Å; V506-Y508 WeakPolarHBondContact CG1-O 3.44Å; Y508-N518 WeakPolarHBondContact CA-OD1 3.42Å; Y508-N518 WeakPolarHBondContact CB-OD1 3.43Å; Y508-T539 HydrophobicContact CD2-CG2 4.23Å; Y508-T539 PolarHBondContact N-O 3.3Å; Y508-T539 VanDerWaalsContact N-O 3.16Å; Y508-T539 PolarHBondContact O-N 2.88Å
509V93.4Very high91Very high6 Ų641 Ų414%0.03621%0.214CC..EExtended strand (participates in β ladder)trans-135.9136.8177.5-175.30000109.8Y497 V506 Y516 D517 N518 I536 T537 Y538Y497-V509 HydrophobicContact CD1-CG1 3.66Å; Y497-V509 HydrophobicContact CD2-CB 4.5Å; Y497-V509 HydrophobicContact CD2-CG1 4.1Å; Y497-V509 HydrophobicContact CE1-CG1 4.04Å; Y497-V509 HydrophobicContact CE2-CG1 4.46Å; Y497-V509 HydrophobicContact CG-CB 4.3Å; Y497-V509 HydrophobicContact CG-CG1 3.67Å; Y497-V509 HydrophobicContact CG-CG2 4.36Å; V506-V509 HydrophobicContact CG1-CG2 3.55Å; V509-Y516 HydrophobicContact CB-CE1 4.34Å; V509-D517 WeakPolarHBondContact O-CA 3.36Å; V509-N518 PolarHBondContact N-OD1 3.38Å; V509-N518 PolarHBondContact O-N 3.16Å; V509-N518 PolarHBondContact O-OD1 2.98Å; V509-N518 VanDerWaalsContact O-OD1 3.11Å; V509-I536 HydrophobicContact CG1-CG2 3.96Å; V509-T537 WeakPolarHBondContact CA-O 3.45Å; V509-Y538 HydrophobicContact CG1-CD1 4.43Å; V509-Y538 HydrophobicContact CG1-CE1 4.17Å; V509-Y538 HydrophobicContact CG2-CD1 3.69Å; V509-Y538 HydrophobicContact CG2-CE1 3.77Å
510R91Very high90.6Very high4 Ų441.6 Ų41.62%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-127.5129.6171179.9-176.667.5175.3-4.7110.7R369 L512 Y516 D517 P525 I536 T537R369-R510 VanDerWaalsContact CA-CZ 3.41Å; R369-R510 HydrophobicContact CG-CB 4.39Å; R369-R510 VanDerWaalsContact CG-CZ 3.45Å; R369-R510 VanDerWaalsContact N-CZ 3.26Å; R369-R510 VanDerWaalsContact N-NH1 3.15Å; R510-L512 HydrophobicContact CG-CD2 3.94Å; R510-Y516 CarbonylContact C-O 3.5Å; R510-Y516 WeakPolarHBondContact CA-O 3.5Å; R510-D517 HydrophobicContact CB-CB 4.17Å; R510-D517 WeakPolarHBondContact CD-OD2 3.18Å; R510-D517 HydrophobicContact CG-CB 3.85Å; R510-D517 VanDerWaalsContact CG-OD2 3.32Å; R510-D517 WeakPolarHBondContact CG-OD2 3.37Å; R510-P525 HydrophobicContact CG-CB 4.36Å; R510-I536 CarbonylContact O-C 3.38Å; R510-I536 VanDerWaalsContact O-CA 3.24Å; R510-I536 WeakPolarHBondContact O-CA 3.3Å; R510-T537 PolarHBondContact N-O 2.96Å; R510-T537 PolarHBondContact NH2-OG1 3.48Å; R510-T537 VanDerWaalsContact NH2-OG1 3.11Å; R510-T537 PolarHBondContact O-N 3.48Å
511D93.1Very high90Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-128.3105.4179.3-174.1-18.1000110.4R489 Y497 G513 V514 G515 Y516 I536R489-D511 WeakPolarHBondContact CG-OD2 3.27Å; R489-D511 IonicContact CZ-OD1 3.64Å; R489-D511 IonicContact CZ-OD2 3.8Å; R489-D511 IonicContact NE-OD1 3.63Å; R489-D511 IonicContact NE-OD2 2.78Å; R489-D511 PolarHBondContact NE-OD2 2.67Å; R489-D511 IonicContact NH2-OD1 2.82Å; R489-D511 PolarHBondContact NH2-OD1 3.23Å; R489-D511 VanDerWaalsContact NH2-OD1 3.11Å; R489-D511 IonicContact NH2-OD2 2.71Å; Y497-D511 HydrophobicContact CE1-CB 4.13Å; Y497-D511 WeakPolarHBondContact OH-CB 3.49Å; Y497-D511 VanDerWaalsContact OH-CG 3.31Å; Y497-D511 PolarHBondContact OH-OD2 3.45Å; D511-G513 PolarHBondContact O-N 2.93Å; D511-G513 WeakPolarHBondContact OD1-CA 3.4Å; D511-G513 PolarHBondContact OD1-N 3.31Å; D511-V514 HydrophobicContact CB-CG2 3.94Å; D511-V514 PolarHBondContact O-N 3.34Å; D511-G515 PolarHBondContact O-N 2.98Å; D511-G515 VanDerWaalsContact O-N 3.08Å; D511-Y516 PolarHBondContact N-O 2.98Å; D511-Y516 PolarHBondContact O-N 3.44Å; D511-I536 HydrophobicContact CB-CG1 4.01Å
512L90.2Very high89.8Confident1 Ų147 Ų471%0.00525%0.251CS..THydrogen-bonded Turntrans-813.2178.3-57.5-164.7000113.3L391 R510 P525 L527 W529 S530 N533 M535L391-L512 HydrophobicContact CD2-CD1 3.58Å; R510-L512 HydrophobicContact CG-CD2 3.94Å; L512-P525 HydrophobicContact CD2-CB 3.49Å; L512-P525 VanDerWaalsContact CD2-CB 3.49Å; L512-P525 HydrophobicContact CD2-CG 3.77Å; L512-L527 HydrophobicContact CD1-CB 3.89Å; L512-L527 HydrophobicContact CD1-CD1 3.9Å; L512-L527 HydrophobicContact CD2-CB 4.13Å; L512-W529 HydrophobicContact CB-CB 4.12Å; L512-W529 HydrophobicContact CD2-CB 4.36Å; L512-W529 WeakPolarHBondContact O-CA 3.41Å; L512-W529 WeakPolarHBondContact O-CB 3.47Å; L512-S530 PolarHBondContact O-N 3.48Å; L512-S530 VanDerWaalsContact O-N 3.07Å; L512-S530 VanDerWaalsContact O-O 3.13Å; L512-N533 CarbonylContact C-O 3.39Å; L512-M535 HydrophobicContact CB-CE 4.43Å; L512-M535 HydrophobicContact CD1-CE 3.2Å; L512-M535 HydrophobicContact CG-CE 3.93Å; L512-M535 PolarHBondContact N-O 3.17Å
513G88Confident89.9Confident5 Ų547.7 Ų47.75%0.05225%0.246CC..THydrogen-bonded Turntrans-84.9-25.1170.700000113D511 S530 S531 N533D511-G513 PolarHBondContact O-N 2.93Å; D511-G513 WeakPolarHBondContact OD1-CA 3.4Å; D511-G513 PolarHBondContact OD1-N 3.31Å; G513-S530 WeakPolarHBondContact CA-O 3.4Å; G513-S531 WeakPolarHBondContact O-CA 3.39Å; G513-N533 WeakPolarHBondContact CA-O 3.48Å; G513-N533 PolarHBondContact N-O 3.46Å; G513-N533 VanDerWaalsContact N-O 3.16Å
514V90.8Very high89.9Confident68 Ų6845.6 Ų45.641%0.41223%0.234SC..THydrogen-bonded Turntrans-125.60-177.9-56.40000113.4Y497 D511Y497-V514 WeakPolarHBondContact OH-CG2 3.33Å; D511-V514 HydrophobicContact CB-CG2 3.94Å; D511-V514 PolarHBondContact O-N 3.34Å
515G90.5Very high89.6Confident10 Ų1044 Ų4410%0.10323%0.229CC..THydrogen-bonded Turntrans7240.4179.600000112.9D511 P525 W529D511-G515 PolarHBondContact O-N 2.98Å; D511-G515 VanDerWaalsContact O-N 3.08Å; G515-P525 WeakPolarHBondContact O-CD 3.22Å; G515-W529 VanDerWaalsContact CA-CG 3.45Å
516Y91.8Very high89Confident29 Ų2944.1 Ų44.111%0.11424%0.236CC..EExtended strand (participates in β ladder)trans-113.3134.6179.7176.8-109.4000111.7K495 Y497 V509 R510 D511 N518 N523K495-Y516 HydrophobicContact CD-CD2 4.46Å; K495-Y516 HydrophobicContact CD-CE2 3.61Å; Y497-Y516 HydrophobicContact CD2-CD1 4.03Å; Y497-Y516 AromaticContact CD2-CE1 3.65Å; Y497-Y516 HydrophobicContact CD2-CE1 3.65Å; Y497-Y516 AromaticContact CE2-CD1 3.3Å; Y497-Y516 HydrophobicContact CE2-CD1 3.3Å; Y497-Y516 AromaticContact CE2-CE1 3.39Å; Y497-Y516 HydrophobicContact CE2-CE1 3.39Å; Y497-Y516 HydrophobicContact CE2-CG 4.2Å; Y497-Y516 AromaticContact CZ-CD1 3.87Å; V509-Y516 HydrophobicContact CB-CE1 4.34Å; R510-Y516 CarbonylContact C-O 3.5Å; R510-Y516 WeakPolarHBondContact CA-O 3.5Å; D511-Y516 PolarHBondContact N-O 2.98Å; D511-Y516 PolarHBondContact O-N 3.44Å; Y516-N518 HydrophobicContact CE1-CB 4.44Å; Y516-N518 HydrophobicContact CE2-CB 4.36Å; Y516-N518 WeakPolarHBondContact OH-CB 3.3Å; Y516-N523 WeakPolarHBondContact CA-O 3.36Å; Y516-N523 HydrophobicContact CD2-CB 4.08Å; Y516-N523 HydrophobicContact CE2-CB 3.87Å
517D91.8Very high88.4Confident3 Ų343.7 Ų43.72%0.01623%0.232CC..EExtended strand (participates in β ladder)trans-155.8105.1171.3-167-17.2000111.6R369 V509 R510 S519 Y520 N523 P525R369-D517 IonicContact CZ-OD1 2.66Å; R369-D517 IonicContact NH2-OD1 2.89Å; R369-D517 PolarHBondContact NH2-OD1 2.72Å; V509-D517 WeakPolarHBondContact O-CA 3.36Å; R510-D517 HydrophobicContact CB-CB 4.17Å; R510-D517 WeakPolarHBondContact CD-OD2 3.18Å; R510-D517 HydrophobicContact CG-CB 3.85Å; R510-D517 VanDerWaalsContact CG-OD2 3.32Å; R510-D517 WeakPolarHBondContact CG-OD2 3.37Å; D517-S519 VanDerWaalsContact C-N 3.26Å; D517-S519 VanDerWaalsContact CG-OG 3.25Å; D517-S519 PolarHBondContact O-N 3.37Å; D517-S519 PolarHBondContact OD1-N 2.81Å; D517-S519 PolarHBondContact OD1-OG 2.74Å; D517-S519 PolarHBondContact OD2-OG 3.45Å; D517-Y520 HydrophobicContact CB-CD2 4.05Å; D517-Y520 PolarHBondContact O-N 2.81Å; D517-Y520 WeakPolarHBondContact OD2-CE2 3.4Å; D517-N523 PolarHBondContact N-O 2.95Å; D517-N523 CarbonylContact O-C 3.41Å; D517-N523 WeakPolarHBondContact O-CA 3.43Å; D517-P525 HydrophobicContact CB-CB 3.98Å
518N91.4Very high87.5Confident48 Ų4842.5 Ų42.526%0.25723%0.234SC..THydrogen-bonded Turntrans-83.57.7-178.375.4-24.5000114.9Y508 V509 Y516 N523Y508-N518 WeakPolarHBondContact CA-OD1 3.42Å; Y508-N518 WeakPolarHBondContact CB-OD1 3.43Å; V509-N518 PolarHBondContact N-OD1 3.38Å; V509-N518 PolarHBondContact O-N 3.16Å; V509-N518 PolarHBondContact O-OD1 2.98Å; V509-N518 VanDerWaalsContact O-OD1 3.11Å; Y516-N518 HydrophobicContact CE1-CB 4.44Å; Y516-N518 HydrophobicContact CE2-CB 4.36Å; Y516-N518 WeakPolarHBondContact OH-CB 3.3Å; N518-N523 WeakPolarHBondContact CA-OD1 3.44Å; N518-N523 WeakPolarHBondContact CB-OD1 3.43Å
519S86.9Confident87.1Confident16 Ų1646.3 Ų46.311%0.11225%0.248CC..THydrogen-bonded Turntrans-73.2-20.9162.254.30000112.4R369 E371 D517R369-S519 PolarHBondContact NH2-OG 2.84Å; R369-S519 VanDerWaalsContact NH2-OG 3.13Å; E371-S519 VanDerWaalsContact OE2-CB 3.26Å; E371-S519 WeakPolarHBondContact OE2-CB 3.4Å; D517-S519 VanDerWaalsContact C-N 3.26Å; D517-S519 VanDerWaalsContact CG-OG 3.25Å; D517-S519 PolarHBondContact O-N 3.37Å; D517-S519 PolarHBondContact OD1-N 2.81Å; D517-S519 PolarHBondContact OD1-OG 2.74Å; D517-S519 PolarHBondContact OD2-OG 3.45Å
520Y82.3Confident86.4Confident47 Ų4747.7 Ų47.718%0.18426%0.258CS..SBendtrans-95.1145.6177.6-68.8-80.1000112.4E370 D517 D522 N523 K524 V526E370-Y520 WeakPolarHBondContact CB-OH 3.16Å; E370-Y520 VanDerWaalsContact CD-OH 3.29Å; E370-Y520 PolarHBondContact OE2-OH 2.81Å; D517-Y520 HydrophobicContact CB-CD2 4.05Å; D517-Y520 PolarHBondContact O-N 2.81Å; D517-Y520 WeakPolarHBondContact OD2-CE2 3.4Å; Y520-D522 PolarHBondContact O-N 3.02Å; Y520-D522 VanDerWaalsContact O-N 3.12Å; Y520-N523 PolarHBondContact O-N 3.43Å; Y520-K524 WeakPolarHBondContact CD2-O 3.19Å; Y520-V526 HydrophobicContact CD1-CG2 4.26Å; Y520-V526 HydrophobicContact CE1-CG2 3.83Å; Y520-V526 HydrophobicContact CE2-CG2 4.22Å
521P80.9Confident85.8Confident134 Ų13452.4 Ų52.487%0.8729%0.291SS*.THydrogen-bonded Turntrans-55.1-30.7178-27.234.6000114.8
522D86.6Confident84.8Confident98 Ų9856.8 Ų56.852%0.52432%0.322SS..THydrogen-bonded Turntrans-94.43.2-179.473.7-18.2000113.9Y520 K524Y520-D522 PolarHBondContact O-N 3.02Å; Y520-D522 VanDerWaalsContact O-N 3.12Å; D522-K524 PolarHBondContact O-N 2.82Å; D522-K524 PolarHBondContact OD1-N 2.9Å
523N89.6Confident84Confident54 Ų5459.5 Ų59.529%0.28934%0.337SS..SBendtrans59.523.1-174.1-62.9-68.8000115.4K495 Y516 D517 N518 Y520K495-N523 PolarHBondContact NZ-ND2 3.48Å; Y516-N523 WeakPolarHBondContact CA-O 3.36Å; Y516-N523 HydrophobicContact CD2-CB 4.08Å; Y516-N523 HydrophobicContact CE2-CB 3.87Å; D517-N523 PolarHBondContact N-O 2.95Å; D517-N523 CarbonylContact O-C 3.41Å; D517-N523 WeakPolarHBondContact O-CA 3.43Å; N518-N523 WeakPolarHBondContact CA-OD1 3.44Å; N518-N523 WeakPolarHBondContact CB-OD1 3.43Å; Y520-N523 PolarHBondContact O-N 3.43Å
524K88.1Confident83.9Confident127 Ų12760.9 Ų60.955%0.55234%0.341SS*.  trans-113141.8179.2-67-178.3179.9174.30111.7Y520 D522Y520-K524 WeakPolarHBondContact CD2-O 3.19Å; D522-K524 PolarHBondContact O-N 2.82Å; D522-K524 PolarHBondContact OD1-N 2.9Å
525P84.8Confident83.9Confident14 Ų1458.3 Ų58.39%0.09133%0.325CS..  trans-73.6142.8173.830.1-32.5000110.2R510 L512 G515 D517 L527 W529R510-P525 HydrophobicContact CG-CB 4.36Å; L512-P525 HydrophobicContact CD2-CB 3.49Å; L512-P525 VanDerWaalsContact CD2-CB 3.49Å; L512-P525 HydrophobicContact CD2-CG 3.77Å; G515-P525 WeakPolarHBondContact O-CD 3.22Å; D517-P525 HydrophobicContact CB-CB 3.98Å; P525-L527 VanDerWaalsContact C-N 3.33Å; P525-W529 HydrophobicContact CG-CB 4.34Å; P525-W529 HydrophobicContact CG-CG 4.24Å
526V79.7Confident84Confident92 Ų9257.8 Ų57.856%0.55832%0.32SS*.SBendtrans-72-31.5167.7-178.60000111E370 Y520E370-V526 VanDerWaalsContact OE1-CB 3.31Å; E370-V526 WeakPolarHBondContact OE1-CB 3.43Å; E370-V526 VanDerWaalsContact OE1-CG1 3.29Å; E370-V526 WeakPolarHBondContact OE1-CG1 3.36Å; Y520-V526 HydrophobicContact CD1-CG2 4.26Å; Y520-V526 HydrophobicContact CE1-CG2 3.83Å; Y520-V526 HydrophobicContact CE2-CG2 4.22Å
527L80.4Confident84Confident13 Ų1356.4 Ų56.47%0.06832%0.315CS..SBendtrans-66.4145.2176.8-68.8-174.5000111.8L512 P525 W529L512-L527 HydrophobicContact CD1-CB 3.89Å; L512-L527 HydrophobicContact CD1-CD1 3.9Å; L512-L527 HydrophobicContact CD2-CB 4.13Å; P525-L527 VanDerWaalsContact C-N 3.33Å; L527-W529 PolarHBondContact O-N 2.94Å
528P74.4Confident84.1Confident65 Ų6556.3 Ų56.342%0.42231%0.314SS..  trans-57.1134.6171.5-18.528.9000110.8L391 W396L391-P528 HydrophobicContact CD1-CB 4.02Å; L391-P528 HydrophobicContact CD1-CG 4.23Å; W396-P528 HydrophobicContact CZ3-CG 4.43Å
529W83.4Confident84.1Confident139 Ų13954.4 Ų54.453%0.52730%0.304SS..  trans-128.1151.5-178.566.1-92.8000110L512 G515 P525 L527L512-W529 HydrophobicContact CB-CB 4.12Å; L512-W529 HydrophobicContact CD2-CB 4.36Å; L512-W529 WeakPolarHBondContact O-CA 3.41Å; L512-W529 WeakPolarHBondContact O-CB 3.47Å; G515-W529 VanDerWaalsContact CA-CG 3.45Å; P525-W529 HydrophobicContact CG-CB 4.34Å; P525-W529 HydrophobicContact CG-CG 4.24Å; L527-W529 PolarHBondContact O-N 2.94Å
530S79.1Confident84.3Confident35 Ų3553.7 Ų53.725%0.24530%0.299CS..  trans-151.7151.7176.466.90000109.4L512 G513 S532 N533L512-S530 PolarHBondContact O-N 3.48Å; L512-S530 VanDerWaalsContact O-N 3.07Å; L512-S530 VanDerWaalsContact O-O 3.13Å; G513-S530 WeakPolarHBondContact CA-O 3.4Å; S530-S532 PolarHBondContact O-N 3.4Å; S530-S532 PolarHBondContact OG-OG 3.26Å; S530-N533 WeakPolarHBondContact O-CB 3.48Å; S530-N533 PolarHBondContact O-N 2.93Å; S530-N533 PolarHBondContact OG-N 3.37Å; S530-N533 PolarHBondContact OG-ND2 2.98Å
531S77.7Confident84.6Confident103 Ų10356.9 Ų56.972%0.7232%0.316SS*.THydrogen-bonded Turntrans-58.9-21.5175.754.30000113.7G513G513-S531 WeakPolarHBondContact O-CA 3.39Å
532S71.7Confident84.8Confident91 Ų9153 Ų5364%0.63629%0.288SS*.THydrogen-bonded Turntrans-80-14.1174.155.10000114.6S530 H534S530-S532 PolarHBondContact O-N 3.4Å; S530-S532 PolarHBondContact OG-OG 3.26Å; S532-H534 PolarHBondContact O-N 2.77Å
533N74Confident84.4Confident59 Ų5949.3 Ų49.332%0.31627%0.272SS..  trans-91.587.7-177.9-79.2-19.7000111.1L512 G513 S530 M535L512-N533 CarbonylContact C-O 3.39Å; G513-N533 WeakPolarHBondContact CA-O 3.48Å; G513-N533 PolarHBondContact N-O 3.46Å; G513-N533 VanDerWaalsContact N-O 3.16Å; S530-N533 WeakPolarHBondContact O-CB 3.48Å; S530-N533 PolarHBondContact O-N 2.93Å; S530-N533 PolarHBondContact OG-N 3.37Å; S530-N533 PolarHBondContact OG-ND2 2.98Å; N533-M535 VanDerWaalsContact C-N 3.33Å; N533-M535 PolarHBondContact O-N 3.14Å
534H85.9Confident84.3Confident33 Ų3346.7 Ų46.715%0.15326%0.259CS..  trans-70.485.8170.3-72-62.5000111F485 S532 R549 G550F485-H534 WeakPolarHBondContact CB-ND1 3.49Å; F485-H534 HydrophobicContact CD1-CB 3.91Å; F485-H534 AromaticContact CD1-ND1 3.97Å; F485-H534 HydrophobicContact CD2-CB 3.74Å; F485-H534 AromaticContact CD2-CG 3.95Å; F485-H534 AromaticContact CD2-ND1 3.83Å; F485-H534 HydrophobicContact CE1-CB 3.82Å; F485-H534 WeakPolarHBondContact CE1-O 3.24Å; F485-H534 HydrophobicContact CE2-CB 3.62Å; F485-H534 HydrophobicContact CG-CB 3.88Å; F485-H534 AromaticContact CG-CG 3.96Å; F485-H534 AromaticContact CG-ND1 3.46Å; F485-H534 WeakPolarHBondContact CG-ND1 3.11Å; F485-H534 VanDerWaalsContact CZ-C 3.44Å; F485-H534 HydrophobicContact CZ-CB 3.66Å; F485-H534 WeakPolarHBondContact CZ-O 3.35Å; S532-H534 PolarHBondContact O-N 2.77Å; H534-R549 CarbonylContact O-C 3.52Å; H534-R549 WeakPolarHBondContact O-CA 3.42Å; H534-G550 PolarHBondContact O-N 3.31Å
535M90.5Very high84.3Confident14 Ų1440.7 Ų40.77%0.06923%0.232CC..EExtended strand (participates in β ladder)trans-145.2116.6176-170.216767.600111.9L391 L512 N533 T547 I548 R549L391-M535 HydrophobicContact CD2-CE 4.14Å; L512-M535 HydrophobicContact CB-CE 4.43Å; L512-M535 HydrophobicContact CD1-CE 3.2Å; L512-M535 HydrophobicContact CG-CE 3.93Å; L512-M535 PolarHBondContact N-O 3.17Å; N533-M535 VanDerWaalsContact C-N 3.33Å; N533-M535 PolarHBondContact O-N 3.14Å; M535-T547 HydrophobicContact CG-CG2 3.67Å; M535-T547 HydrophobicContact SD-CG2 4.17Å; M535-I548 WeakPolarHBondContact CA-O 3.37Å; M535-R549 HydrophobicContact CB-CG 4.46Å; M535-R549 HydrophobicContact CG-CB 4.25Å; M535-R549 HydrophobicContact CG-CG 4.35Å; M535-R549 HydrophobicContact SD-CG 4.33Å
536I93.2Very high84.7Confident0 Ų040 Ų400%023%0.228CC..EExtended strand (participates in β ladder)trans-122.7128.3177.8-59.1170.9000108.9F485 L488 R489 Y497 V509 R510 D511 Y538 T547 I548F485-I536 HydrophobicContact CD1-CD1 3.56Å; F485-I536 HydrophobicContact CD1-CG1 3.76Å; F485-I536 HydrophobicContact CE1-CB 4.37Å; F485-I536 HydrophobicContact CE1-CD1 4.07Å; F485-I536 HydrophobicContact CE1-CG1 3.85Å; F485-I536 HydrophobicContact CG-CD1 4.49Å; L488-I536 HydrophobicContact CB-CD1 3.72Å; L488-I536 HydrophobicContact CD1-CD1 4.05Å; R489-I536 HydrophobicContact CG-CD1 4.36Å; Y497-I536 HydrophobicContact CE1-CD1 4.24Å; Y497-I536 HydrophobicContact CE1-CG2 4.5Å; V509-I536 HydrophobicContact CG1-CG2 3.96Å; R510-I536 CarbonylContact O-C 3.38Å; R510-I536 VanDerWaalsContact O-CA 3.24Å; R510-I536 WeakPolarHBondContact O-CA 3.3Å; D511-I536 HydrophobicContact CB-CG1 4.01Å; I536-Y538 HydrophobicContact CB-CE2 4.4Å; I536-Y538 HydrophobicContact CG2-CD2 4.01Å; I536-Y538 HydrophobicContact CG2-CE2 3.44Å; I536-Y538 VanDerWaalsContact CG2-CE2 3.44Å; I536-T547 CarbonylContact O-C 3.47Å; I536-T547 WeakPolarHBondContact O-CA 3.43Å; I536-I548 PolarHBondContact N-O 3.47Å; I536-I548 PolarHBondContact O-N 2.96Å
537T92.1Very high85.2Confident0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-113.2132.7174-50.80000110Q368 R369 V372 V509 R510 F546 T547Q368-T537 HydrophobicContact CB-CG2 4.23Å; R369-T537 HydrophobicContact CG-CG2 3.74Å; V372-T537 HydrophobicContact CG2-CG2 3.95Å; V509-T537 WeakPolarHBondContact CA-O 3.45Å; R510-T537 PolarHBondContact N-O 2.96Å; R510-T537 PolarHBondContact NH2-OG1 3.48Å; R510-T537 VanDerWaalsContact NH2-OG1 3.11Å; R510-T537 PolarHBondContact O-N 3.48Å; T537-F546 CarbonylContact C-O 3.55Å; T537-F546 WeakPolarHBondContact CA-O 3.4Å; T537-T547 WeakPolarHBondContact CB-OG1 3.04Å; T537-T547 VanDerWaalsContact CG2-OG1 3.28Å; T537-T547 WeakPolarHBondContact CG2-OG1 3.32Å; T537-T547 PolarHBondContact OG1-OG1 3.44Å
538Y93Very high85.8Confident0 Ų035 Ų350%020%0.198CC..EExtended strand (participates in β ladder)trans-109.8134.5172.4-67.7-93.9000109.8A498 V506 V509 I536 T545 F546 F591A498-Y538 HydrophobicContact CB-CE1 4.33Å; V506-Y538 HydrophobicContact CG1-CD1 3.9Å; V506-Y538 HydrophobicContact CG2-CD1 4.08Å; V509-Y538 HydrophobicContact CG1-CD1 4.43Å; V509-Y538 HydrophobicContact CG1-CE1 4.17Å; V509-Y538 HydrophobicContact CG2-CD1 3.69Å; V509-Y538 HydrophobicContact CG2-CE1 3.77Å; I536-Y538 HydrophobicContact CB-CE2 4.4Å; I536-Y538 HydrophobicContact CG2-CD2 4.01Å; I536-Y538 HydrophobicContact CG2-CE2 3.44Å; I536-Y538 VanDerWaalsContact CG2-CE2 3.44Å; Y538-T545 VanDerWaalsContact O-CA 3.28Å; Y538-T545 WeakPolarHBondContact O-CA 3.41Å; Y538-F546 VanDerWaalsContact CB-CE1 3.43Å; Y538-F546 VanDerWaalsContact CB-CZ 3.43Å; Y538-F546 HydrophobicContact CD1-CZ 4.28Å; Y538-F546 HydrophobicContact CD2-CD2 4.07Å; Y538-F546 HydrophobicContact CD2-CE1 4.32Å; Y538-F546 AromaticContact CD2-CE2 3.29Å; Y538-F546 HydrophobicContact CD2-CE2 3.29Å; Y538-F546 AromaticContact CD2-CZ 3.45Å; Y538-F546 HydrophobicContact CD2-CZ 3.45Å; Y538-F546 VanDerWaalsContact CD2-CZ 3.45Å; Y538-F546 HydrophobicContact CE2-CE2 4Å; Y538-F546 HydrophobicContact CE2-CZ 4.26Å; Y538-F546 HydrophobicContact CG-CE1 4.01Å; Y538-F546 AromaticContact CG-CE2 3.83Å; Y538-F546 HydrophobicContact CG-CE2 3.83Å; Y538-F546 AromaticContact CG-CZ 3.46Å; Y538-F546 HydrophobicContact CG-CZ 3.46Å; Y538-F546 VanDerWaalsContact CG-CZ 3.46Å; Y538-F546 PolarHBondContact N-O 2.91Å; Y538-F546 PolarHBondContact O-N 2.97Å; Y538-F591 AromaticContact CD1-CE1 3.98Å; Y538-F591 HydrophobicContact CD1-CE1 3.98Å; Y538-F591 HydrophobicContact CD2-CD1 4.26Å; Y538-F591 HydrophobicContact CD2-CE1 4.11Å; Y538-F591 HydrophobicContact CE1-CD1 4.43Å; Y538-F591 AromaticContact CE1-CE1 3.69Å; Y538-F591 HydrophobicContact CE1-CE1 3.69Å; Y538-F591 AromaticContact CE2-CD1 3.77Å; Y538-F591 HydrophobicContact CE2-CD1 3.77Å; Y538-F591 AromaticContact CE2-CE1 3.8Å; Y538-F591 HydrophobicContact CE2-CE1 3.8Å; Y538-F591 HydrophobicContact CG-CE1 4.2Å; Y538-F591 AromaticContact CZ-CD1 3.88Å; Y538-F591 AromaticContact CZ-CE1 3.59Å
539T91.2Very high86.5Confident9 Ų935.1 Ų35.16%0.05519%0.19CC..EExtended strand (participates in β ladder)trans-111.7128.9170.3-60.80000109R369 E371 V506 K507 Y508 T545R369-T539 WeakPolarHBondContact CD-OG1 3.36Å; R369-T539 PolarHBondContact NE-OG1 3.32Å; R369-T539 PolarHBondContact NH1-OG1 3.28Å; E371-T539 PolarHBondContact O-OG1 3.08Å; V506-T539 CarbonylContact C-O 3.47Å; K507-T539 PolarHBondContact N-O 3.27Å; Y508-T539 HydrophobicContact CD2-CG2 4.23Å; Y508-T539 PolarHBondContact N-O 3.3Å; Y508-T539 VanDerWaalsContact N-O 3.16Å; Y508-T539 PolarHBondContact O-N 2.88Å; T539-T545 HydrophobicContact CG2-CG2 3.94Å
540L92Very high86.5Confident0 Ų029 Ų290%017%0.171CC..EExtended strand (participates in β ladder)trans-97.5155.1-178.5-54.7-179.9000110.7C501 F504 Q505 V506 N542 G543 S544 F546 L583C501-L540 HydrophobicContact CB-CD1 4.14Å; C501-L540 HydrophobicContact CB-CD2 3.62Å; F504-L540 HydrophobicContact CB-CB 4.05Å; F504-L540 HydrophobicContact CB-CD1 4.03Å; F504-L540 HydrophobicContact CB-CD2 4.43Å; F504-L540 HydrophobicContact CB-CG 4.39Å; F504-L540 HydrophobicContact CD2-CD1 4.16Å; F504-L540 HydrophobicContact CG-CD1 4.37Å; Q505-L540 CarbonylContact O-C 3.59Å; Q505-L540 WeakPolarHBondContact O-CA 3.41Å; V506-L540 HydrophobicContact CG2-CD2 3.85Å; L540-N542 WeakPolarHBondContact CB-OD1 3.36Å; L540-N542 PolarHBondContact O-N 3.3Å; L540-G543 PolarHBondContact O-N 3.47Å; L540-S544 WeakPolarHBondContact CB-O 3.35Å; L540-S544 PolarHBondContact N-O 3.22Å; L540-F546 HydrophobicContact CD2-CE1 4.24Å; L540-L583 HydrophobicContact CD1-CD1 3.77Å; L540-L583 HydrophobicContact CD1-CD2 4.16Å
541E89.3Confident86.1Confident114 Ų11428 Ų2853%0.53316%0.164SC..THydrogen-bonded Turntrans-61.4-23.4-178.8-78.7-68177.300114.2Q505 K507 G543Q505-E541 HydrophobicContact CB-CG 3.81Å; Q505-E541 PolarHBondContact O-N 3.24Å; K507-E541 HydrophobicContact CB-CG 4.2Å; E541-G543 PolarHBondContact O-N 2.93Å
542N83.4Confident85.3Confident53 Ų5327.1 Ų27.128%0.28317%0.171SC..THydrogen-bonded Turntrans-79.15.1173.973.6-19.9000113.3F504 L540 S544F504-N542 HydrophobicContact CD1-CB 3.8Å; F504-N542 HydrophobicContact CE1-CB 3.85Å; F504-N542 VanDerWaalsContact CE1-ND2 3.28Å; F504-N542 WeakPolarHBondContact CE1-ND2 3.19Å; F504-N542 WeakPolarHBondContact CZ-ND2 3.22Å; L540-N542 WeakPolarHBondContact CB-OD1 3.36Å; L540-N542 PolarHBondContact O-N 3.3Å; N542-S544 VanDerWaalsContact C-N 3.27Å; N542-S544 PolarHBondContact ND2-OG 2.87Å; N542-S544 PolarHBondContact O-N 3.03Å; N542-S544 WeakPolarHBondContact OD1-CB 3.47Å; N542-S544 PolarHBondContact OD1-N 3.12Å; N542-S544 PolarHBondContact OD1-OG 3.27Å
543G79.8Confident84.4Confident20 Ų2028 Ų2821%0.20617%0.172CC..SBendtrans85-11.6-176.600000114.3L540 E541 I564L540-G543 PolarHBondContact O-N 3.47Å; E541-G543 PolarHBondContact O-N 2.93Å; G543-I564 WeakPolarHBondContact O-CD1 3.22Å
544S87.1Confident83.6Confident0 Ų028.2 Ų28.20%017%0.171CC..  trans-70.3153177.7-56.90000111.6L540 N542 E562L540-S544 WeakPolarHBondContact CB-O 3.35Å; L540-S544 PolarHBondContact N-O 3.22Å; N542-S544 VanDerWaalsContact C-N 3.27Å; N542-S544 PolarHBondContact ND2-OG 2.87Å; N542-S544 PolarHBondContact O-N 3.03Å; N542-S544 WeakPolarHBondContact OD1-CB 3.47Å; N542-S544 PolarHBondContact OD1-N 3.12Å; N542-S544 PolarHBondContact OD1-OG 3.27Å; S544-E562 CarbonylContact C-O 3.25Å; S544-E562 VanDerWaalsContact CA-O 3.31Å; S544-E562 WeakPolarHBondContact CA-O 3.34Å; S544-E562 WeakPolarHBondContact CB-O 3.42Å
545T88.6Confident83Confident0 Ų029.7 Ų29.70%018%0.184CC..EExtended strand (participates in β ladder)trans-141152.9-173.855.50000111.5Q368 V372 Y538 T539 I561 E562Q368-T545 VanDerWaalsContact OE1-CB 3.24Å; Q368-T545 PolarHBondContact OE1-OG1 2.77Å; V372-T545 HydrophobicContact CB-CG2 3.91Å; V372-T545 HydrophobicContact CG1-CG2 3.81Å; V372-T545 WeakPolarHBondContact CG1-OG1 3.48Å; V372-T545 HydrophobicContact CG2-CG2 3.28Å; Y538-T545 VanDerWaalsContact O-CA 3.28Å; Y538-T545 WeakPolarHBondContact O-CA 3.41Å; T539-T545 HydrophobicContact CG2-CG2 3.94Å; T545-I561 CarbonylContact O-C 3.56Å; T545-I561 WeakPolarHBondContact O-CA 3.39Å; T545-E562 PolarHBondContact N-O 2.83Å; T545-E562 PolarHBondContact O-N 3.13Å
546F91.8Very high82.4Confident0 Ų031.2 Ų31.20%019%0.19CC..EExtended strand (participates in β ladder)trans-146.7142168.566.2-85000112.8C501 T537 Y538 L540 I548 Y560 I561 I587 F591C501-F546 HydrophobicContact CB-CE1 4.06Å; C501-F546 HydrophobicContact CB-CZ 4.48Å; T537-F546 CarbonylContact C-O 3.55Å; T537-F546 WeakPolarHBondContact CA-O 3.4Å; Y538-F546 VanDerWaalsContact CB-CE1 3.43Å; Y538-F546 VanDerWaalsContact CB-CZ 3.43Å; Y538-F546 HydrophobicContact CD1-CZ 4.28Å; Y538-F546 HydrophobicContact CD2-CD2 4.07Å; Y538-F546 HydrophobicContact CD2-CE1 4.32Å; Y538-F546 AromaticContact CD2-CE2 3.29Å; Y538-F546 HydrophobicContact CD2-CE2 3.29Å; Y538-F546 AromaticContact CD2-CZ 3.45Å; Y538-F546 HydrophobicContact CD2-CZ 3.45Å; Y538-F546 VanDerWaalsContact CD2-CZ 3.45Å; Y538-F546 HydrophobicContact CE2-CE2 4Å; Y538-F546 HydrophobicContact CE2-CZ 4.26Å; Y538-F546 HydrophobicContact CG-CE1 4.01Å; Y538-F546 AromaticContact CG-CE2 3.83Å; Y538-F546 HydrophobicContact CG-CE2 3.83Å; Y538-F546 AromaticContact CG-CZ 3.46Å; Y538-F546 HydrophobicContact CG-CZ 3.46Å; Y538-F546 VanDerWaalsContact CG-CZ 3.46Å; Y538-F546 PolarHBondContact N-O 2.91Å; Y538-F546 PolarHBondContact O-N 2.97Å; L540-F546 HydrophobicContact CD2-CE1 4.24Å; F546-I548 HydrophobicContact CD2-CG1 4.27Å; F546-I548 HydrophobicContact CE2-CD1 4.22Å; F546-I548 HydrophobicContact CE2-CG1 4.45Å; F546-Y560 CarbonylContact C-O 3.51Å; F546-Y560 WeakPolarHBondContact CA-O 3.4Å; F546-Y560 VanDerWaalsContact CB-O 3.27Å; F546-Y560 WeakPolarHBondContact CB-O 3.32Å; F546-I561 HydrophobicContact CB-CG1 4.2Å; F546-I587 HydrophobicContact CB-CD1 3.53Å; F546-I587 HydrophobicContact CD1-CD1 3.55Å; F546-I587 HydrophobicContact CD1-CG1 3.92Å; F546-I587 HydrophobicContact CD2-CD1 3.88Å; F546-I587 HydrophobicContact CD2-CG1 3.96Å; F546-I587 HydrophobicContact CD2-CG2 3.93Å; F546-I587 HydrophobicContact CE1-CD1 4.18Å; F546-I587 HydrophobicContact CE1-CG1 4.04Å; F546-I587 HydrophobicContact CE2-CD1 4.48Å; F546-I587 HydrophobicContact CE2-CG1 4.09Å; F546-I587 HydrophobicContact CE2-CG2 4.17Å; F546-I587 HydrophobicContact CG-CD1 3.37Å; F546-I587 HydrophobicContact CG-CG1 3.88Å; F546-I587 HydrophobicContact CZ-CG1 4.13Å; F546-F591 HydrophobicContact CE1-CZ 4.47Å; F546-F591 AromaticContact CE2-CD1 3.73Å; F546-F591 HydrophobicContact CE2-CD1 3.73Å; F546-F591 HydrophobicContact CE2-CD2 4.39Å; F546-F591 HydrophobicContact CE2-CE1 4.01Å; F546-F591 AromaticContact CE2-CG 3.95Å; F546-F591 HydrophobicContact CE2-CG 3.95Å; F546-F591 HydrophobicContact CE2-CZ 4.46Å; F546-F591 AromaticContact CZ-CD1 3.7Å; F546-F591 HydrophobicContact CZ-CD1 3.7Å; F546-F591 HydrophobicContact CZ-CD2 4.1Å; F546-F591 AromaticContact CZ-CE1 3.5Å; F546-F591 HydrophobicContact CZ-CE1 3.5Å; F546-F591 AromaticContact CZ-CE2 3.93Å; F546-F591 HydrophobicContact CZ-CE2 3.93Å; F546-F591 HydrophobicContact CZ-CG 4.02Å; F546-F591 AromaticContact CZ-CZ 3.62Å; F546-F591 HydrophobicContact CZ-CZ 3.62Å
547T91.3Very high82.1Confident0 Ų031.2 Ų31.20%019%0.19CC..EExtended strand (participates in β ladder)trans-113.5135175.5-67.90000110.3L367 Q368 M535 I536 T537 R549 Y559 Y560L367-T547 WeakPolarHBondContact O-CB 3.17Å; L367-T547 WeakPolarHBondContact O-CG2 3.33Å; L367-T547 PolarHBondContact O-OG1 3.15Å; Q368-T547 WeakPolarHBondContact CG-OG1 3.21Å; M535-T547 HydrophobicContact CG-CG2 3.67Å; M535-T547 HydrophobicContact SD-CG2 4.17Å; I536-T547 CarbonylContact O-C 3.47Å; I536-T547 WeakPolarHBondContact O-CA 3.43Å; T537-T547 WeakPolarHBondContact CB-OG1 3.04Å; T537-T547 VanDerWaalsContact CG2-OG1 3.28Å; T537-T547 WeakPolarHBondContact CG2-OG1 3.32Å; T537-T547 PolarHBondContact OG1-OG1 3.44Å; T547-R549 HydrophobicContact CG2-CB 4.43Å; T547-Y559 WeakPolarHBondContact O-CA 3.21Å; T547-Y560 HydrophobicContact CG2-CD2 4.41Å; T547-Y560 PolarHBondContact N-O 3.39Å; T547-Y560 PolarHBondContact O-N 3.03Å
548I92.8Very high81.7Confident0 Ų033.6 Ų33.60%020%0.201CC..EExtended strand (participates in β ladder)trans-108123.9168.6-58.6-179.9000107.7L484 F485 L488 M535 I536 F546 V557 F591 F592L484-I548 HydrophobicContact CD2-CG2 4.27Å; F485-I548 HydrophobicContact CE1-CG2 4.46Å; F485-I548 HydrophobicContact CE2-CG2 4.17Å; F485-I548 HydrophobicContact CZ-CG2 3.78Å; F485-I548 WeakPolarHBondContact CZ-O 3.44Å; L488-I548 HydrophobicContact CD1-CB 4.48Å; L488-I548 HydrophobicContact CD1-CD1 3.88Å; L488-I548 HydrophobicContact CD1-CG2 4.2Å; L488-I548 HydrophobicContact CD2-CD1 4.3Å; M535-I548 WeakPolarHBondContact CA-O 3.37Å; I536-I548 PolarHBondContact N-O 3.47Å; I536-I548 PolarHBondContact O-N 2.96Å; F546-I548 HydrophobicContact CD2-CG1 4.27Å; F546-I548 HydrophobicContact CE2-CD1 4.22Å; F546-I548 HydrophobicContact CE2-CG1 4.45Å; I548-V557 HydrophobicContact CG2-CG1 3.74Å; I548-F591 HydrophobicContact CD1-CB 3.8Å; I548-F592 HydrophobicContact CB-CZ 4.04Å; I548-F592 HydrophobicContact CD1-CD2 4.21Å; I548-F592 HydrophobicContact CD1-CE2 3.8Å; I548-F592 HydrophobicContact CD1-CZ 3.98Å; I548-F592 HydrophobicContact CG1-CE1 4.48Å; I548-F592 HydrophobicContact CG1-CE2 3.7Å; I548-F592 HydrophobicContact CG1-CZ 3.64Å; I548-F592 HydrophobicContact CG2-CE1 3.67Å; I548-F592 HydrophobicContact CG2-CE2 4.42Å; I548-F592 HydrophobicContact CG2-CZ 3.53Å
549R87.8Confident81.5Confident67 Ų6734 Ų3425%0.25320%0.202SC..EExtended strand (participates in β ladder)trans-133.2124.4-175.1-179.4-177.7173-168.54.3112.6T392 H534 M535 T547 V557 K558 Y560T392-R549 VanDerWaalsContact CB-NH1 3.35Å; T392-R549 PolarHBondContact OG1-NH1 3.17Å; H534-R549 CarbonylContact O-C 3.52Å; H534-R549 WeakPolarHBondContact O-CA 3.42Å; M535-R549 HydrophobicContact CB-CG 4.46Å; M535-R549 HydrophobicContact CG-CB 4.25Å; M535-R549 HydrophobicContact CG-CG 4.35Å; M535-R549 HydrophobicContact SD-CG 4.33Å; T547-R549 HydrophobicContact CG2-CB 4.43Å; R549-V557 CarbonylContact O-C 3.56Å; R549-V557 WeakPolarHBondContact O-CA 3.26Å; R549-V557 WeakPolarHBondContact O-CG1 3.4Å; R549-K558 PolarHBondContact N-O 3.05Å; R549-K558 PolarHBondContact O-N 3.09Å; R549-Y560 HydrophobicContact CB-CE2 4.41Å
550G83.6Confident81.2Confident11 Ų1134.4 Ų34.411%0.11320%0.203CC..EExtended strand (participates in β ladder)trans-70.4132.9166.100000112.4M481 H534M481-G550 WeakPolarHBondContact SD-CA 3.5Å; H534-G550 PolarHBondContact O-N 3.31Å
551S71.2Confident81.1Confident14 Ų1434.4 Ų34.410%0.09820%0.203CC..  trans-86.7121.9170.6-170.50000110.4T553 E554 K556S551-T553 VanDerWaalsContact C-N 3.32Å; S551-E554 WeakPolarHBondContact CB-O 3.01Å; S551-E554 VanDerWaalsContact O-O 3.06Å; S551-E554 WeakPolarHBondContact OG-CB 3.45Å; S551-E554 PolarHBondContact OG-N 3.27Å; S551-K556 VanDerWaalsContact CB-O 3.27Å; S551-K556 WeakPolarHBondContact CB-O 2.9Å; S551-K556 PolarHBondContact N-O 3.21Å
552G61.7Low80.9Confident85 Ų8529.2 Ų29.288%0.87618%0.179SC*.SBendtrans-75.7-17.9177.200000114.2
553T52.4Low81Confident108 Ų10826.8 Ų26.866%0.66317%0.166SC*.SBendtrans-111.3-14.5-176.4540000113.5S551S551-T553 VanDerWaalsContact C-N 3.32Å
554E56.2Low81.1Confident64 Ų6426.7 Ų26.730%0.29916%0.16SC..SBendtrans-127.6146.5-177.4-56.9177.581.600110.1S551 K556 K558S551-E554 WeakPolarHBondContact CB-O 3.01Å; S551-E554 VanDerWaalsContact O-O 3.06Å; S551-E554 WeakPolarHBondContact OG-CB 3.45Å; S551-E554 PolarHBondContact OG-N 3.27Å; E554-K556 HydrophobicContact CB-CB 4.31Å; E554-K556 HydrophobicContact CB-CD 4.07Å; E554-K556 HydrophobicContact CB-CG 4.14Å; E554-K556 PolarHBondContact O-N 2.69Å; E554-K556 WeakPolarHBondContact OE1-CD 3.46Å; E554-K556 WeakPolarHBondContact OE1-CE 3.33Å; E554-K556 IonicContact OE1-NZ 3.42Å; E554-K556 PolarHBondContact OE1-NZ 3.01Å; E554-K558 WeakPolarHBondContact OE2-CE 3.48Å; E554-K558 IonicContact OE2-NZ 2.91Å; E554-K558 PolarHBondContact OE2-NZ 2.86Å
555P73.1Confident81Confident64 Ų6427.4 Ų27.442%0.41616%0.164SC..SBendtrans-74.162.4174.432.6-36.1000110.7R474 C475R474-P555 CarbonylContact C-O 3.59Å; R474-P555 WeakPolarHBondContact CA-O 3.4Å; R474-P555 VanDerWaalsContact CG-O 3.25Å; R474-P555 WeakPolarHBondContact CG-O 3.48Å; C475-P555 CarbonylContact C-O 3.39Å; C475-P555 PolarHBondContact N-O 3.34Å; C475-P555 CarbonylContact O-C 3.37Å; C475-P555 WeakPolarHBondContact O-CA 3.41Å; C475-P555 WeakPolarHBondContact O-CB 3.47Å
556K78.7Confident80.9Confident47 Ų4730.1 Ų30.120%0.20418%0.182CC..EExtended strand (participates in β ladder)trans-145.4144-171.5-63.5176.8-176.8169.10111.3Y472 L473 M481 S551 E554Y472-K556 HydrophobicContact CD1-CD 4.49Å; Y472-K556 HydrophobicContact CD2-CB 4.32Å; Y472-K556 HydrophobicContact CD2-CD 3.66Å; Y472-K556 HydrophobicContact CD2-CG 3.89Å; Y472-K556 HydrophobicContact CE2-CD 3.83Å; Y472-K556 HydrophobicContact CE2-CG 4.26Å; Y472-K556 HydrophobicContact CG-CD 4.03Å; L473-K556 CarbonylContact O-C 3.46Å; L473-K556 VanDerWaalsContact O-CA 3.28Å; L473-K556 WeakPolarHBondContact O-CA 3.36Å; M481-K556 VanDerWaalsContact CE-O 3.3Å; M481-K556 WeakPolarHBondContact CE-O 3.42Å; S551-K556 VanDerWaalsContact CB-O 3.27Å; S551-K556 WeakPolarHBondContact CB-O 2.9Å; S551-K556 PolarHBondContact N-O 3.21Å; E554-K556 HydrophobicContact CB-CB 4.31Å; E554-K556 HydrophobicContact CB-CD 4.07Å; E554-K556 HydrophobicContact CB-CG 4.14Å; E554-K556 PolarHBondContact O-N 2.69Å; E554-K556 WeakPolarHBondContact OE1-CD 3.46Å; E554-K556 WeakPolarHBondContact OE1-CE 3.33Å; E554-K556 IonicContact OE1-NZ 3.42Å; E554-K556 PolarHBondContact OE1-NZ 3.01Å
557V86.2Confident80.6Confident0 Ų033 Ų330%020%0.2CC..EExtended strand (participates in β ladder)trans-110.1119.8161.4-171.30000107.5Y472 L473 C475 M481 L484 F485 I548 R549 F592 L599Y472-V557 CarbonylContact C-O 3.53Å; Y472-V557 VanDerWaalsContact CA-O 3.26Å; Y472-V557 WeakPolarHBondContact CA-O 3.2Å; Y472-V557 WeakPolarHBondContact CB-O 3.36Å; L473-V557 PolarHBondContact N-O 3.43Å; L473-V557 PolarHBondContact O-N 2.91Å; C475-V557 HydrophobicContact CB-CG2 3.86Å; M481-V557 HydrophobicContact CB-CG2 4.49Å; M481-V557 HydrophobicContact CE-CG2 3.98Å; M481-V557 HydrophobicContact CG-CG2 3.96Å; L484-V557 HydrophobicContact CD2-CB 4.47Å; L484-V557 HydrophobicContact CD2-CG1 3.93Å; L484-V557 HydrophobicContact CD2-CG2 4.12Å; F485-V557 HydrophobicContact CE2-CG1 4.27Å; I548-V557 HydrophobicContact CG2-CG1 3.74Å; R549-V557 CarbonylContact O-C 3.56Å; R549-V557 WeakPolarHBondContact O-CA 3.26Å; R549-V557 WeakPolarHBondContact O-CG1 3.4Å; V557-F592 HydrophobicContact CB-CE1 4.15Å; V557-F592 HydrophobicContact CG1-CE1 3.61Å; V557-F592 HydrophobicContact CG1-CZ 4.27Å; V557-L599 HydrophobicContact CG2-CD2 4.22Å
558K84.7Confident80.3Confident50 Ų5038 Ų3822%0.21724%0.236CC..EExtended strand (participates in β ladder)trans-90.4148.7-179.3-55.8-174.1179.9177.90109.5S471 R549 E554 Y560S471-K558 CarbonylContact O-C 3.51Å; S471-K558 WeakPolarHBondContact O-CA 3.44Å; R549-K558 PolarHBondContact N-O 3.05Å; R549-K558 PolarHBondContact O-N 3.09Å; E554-K558 WeakPolarHBondContact OE2-CE 3.48Å; E554-K558 IonicContact OE2-NZ 2.91Å; E554-K558 PolarHBondContact OE2-NZ 2.86Å; K558-Y560 HydrophobicContact CB-CE2 3.77Å; K558-Y560 WeakPolarHBondContact CD-OH 3.34Å
559Y88.6Confident79.8Confident7 Ų743 Ų433%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-135.6151.416862.6-79.8000112.6Y469 N470 S471 L473 T547 I561 K584 I588 F592Y469-Y559 AromaticContact CD1-CE2 3.96Å; Y469-Y559 HydrophobicContact CD1-CE2 3.96Å; Y469-Y559 AromaticContact CE1-CE2 3.82Å; Y469-Y559 HydrophobicContact CE1-CE2 3.82Å; N470-Y559 WeakPolarHBondContact CA-O 3.21Å; S471-Y559 VanDerWaalsContact CB-CZ 3.48Å; S471-Y559 WeakPolarHBondContact CB-OH 3.47Å; S471-Y559 PolarHBondContact N-O 3.31Å; S471-Y559 PolarHBondContact O-N 3.12Å; S471-Y559 VanDerWaalsContact O-O 3.07Å; L473-Y559 HydrophobicContact CD1-CD1 4.4Å; L473-Y559 HydrophobicContact CD1-CE1 4.35Å; L473-Y559 HydrophobicContact CG-CE1 4.48Å; T547-Y559 WeakPolarHBondContact O-CA 3.21Å; Y559-I561 HydrophobicContact CD2-CD1 3.98Å; Y559-I561 HydrophobicContact CD2-CG1 3.99Å; Y559-I561 HydrophobicContact CE2-CD1 3.96Å; Y559-I561 HydrophobicContact CE2-CG1 4.44Å; Y559-K584 HydrophobicContact CE2-CG 4.32Å; Y559-K584 WeakPolarHBondContact OH-CE 3.48Å; Y559-I588 HydrophobicContact CD1-CD1 4.44Å; Y559-I588 HydrophobicContact CE1-CD1 3.77Å; Y559-I588 HydrophobicContact CE2-CD1 4.39Å; Y559-F592 AromaticContact CD1-CE2 3.88Å; Y559-F592 HydrophobicContact CD1-CE2 3.88Å; Y559-F592 AromaticContact CD1-CZ 3.9Å; Y559-F592 HydrophobicContact CD1-CZ 3.9Å; Y559-F592 AromaticContact CG-CE2 3.78Å; Y559-F592 HydrophobicContact CG-CE2 3.78Å; Y559-F592 HydrophobicContact CG-CZ 4.01Å
560Y85.3Confident79.6Confident18 Ų1840.1 Ų40.17%0.07125%0.249CC..EExtended strand (participates in β ladder)trans-133.4130.3-175.8-52.8-90.4000106L367 Y469 N470 F546 T547 R549 K558L367-Y560 HydrophobicContact CB-CD1 4.37Å; L367-Y560 HydrophobicContact CB-CD2 4.04Å; L367-Y560 HydrophobicContact CB-CE2 4.18Å; L367-Y560 HydrophobicContact CB-CG 4.15Å; L367-Y560 HydrophobicContact CD1-CD1 3.76Å; L367-Y560 HydrophobicContact CD1-CD2 4.43Å; L367-Y560 HydrophobicContact CD1-CE1 3.27Å; L367-Y560 HydrophobicContact CD1-CE2 4Å; L367-Y560 HydrophobicContact CD1-CG 4.32Å; L367-Y560 HydrophobicContact CD2-CD2 4.4Å; L367-Y560 HydrophobicContact CD2-CE1 4.48Å; L367-Y560 HydrophobicContact CD2-CE2 3.71Å; L367-Y560 HydrophobicContact CG-CE1 4.27Å; L367-Y560 HydrophobicContact CG-CE2 4.17Å; Y469-Y560 CarbonylContact O-C 3.52Å; Y469-Y560 WeakPolarHBondContact O-CA 3.45Å; N470-Y560 HydrophobicContact CB-CD1 3.82Å; N470-Y560 HydrophobicContact CB-CE1 4.04Å; N470-Y560 VanDerWaalsContact CG-CD1 3.42Å; N470-Y560 WeakPolarHBondContact OD1-CD1 3.26Å; F546-Y560 CarbonylContact C-O 3.51Å; F546-Y560 WeakPolarHBondContact CA-O 3.4Å; F546-Y560 VanDerWaalsContact CB-O 3.27Å; F546-Y560 WeakPolarHBondContact CB-O 3.32Å; T547-Y560 HydrophobicContact CG2-CD2 4.41Å; T547-Y560 PolarHBondContact N-O 3.39Å; T547-Y560 PolarHBondContact O-N 3.03Å; R549-Y560 HydrophobicContact CB-CE2 4.41Å; K558-Y560 HydrophobicContact CB-CE2 3.77Å; K558-Y560 WeakPolarHBondContact CD-OH 3.34Å
561I88.9Confident79.4Confident0 Ų050.2 Ų50.20%028%0.283CS..EExtended strand (participates in β ladder)trans-125.2131.3177.6-50.1172.5000106.3C468 Y469 T545 F546 Y559 L580 L583 K584 I587C468-I561 CarbonylContact C-O 3.49Å; C468-I561 VanDerWaalsContact CA-O 3.3Å; C468-I561 WeakPolarHBondContact CA-O 3.43Å; Y469-I561 HydrophobicContact CD1-CD1 4.32Å; Y469-I561 PolarHBondContact N-O 3.13Å; Y469-I561 PolarHBondContact O-N 3.47Å; T545-I561 CarbonylContact O-C 3.56Å; T545-I561 WeakPolarHBondContact O-CA 3.39Å; F546-I561 HydrophobicContact CB-CG1 4.2Å; Y559-I561 HydrophobicContact CD2-CD1 3.98Å; Y559-I561 HydrophobicContact CD2-CG1 3.99Å; Y559-I561 HydrophobicContact CE2-CD1 3.96Å; Y559-I561 HydrophobicContact CE2-CG1 4.44Å; I561-L580 HydrophobicContact CB-CD1 4.02Å; I561-L580 HydrophobicContact CG2-CD1 3.62Å; I561-L583 HydrophobicContact CG2-CD2 3.68Å; I561-L583 HydrophobicContact CG2-CG 4.18Å; I561-K584 HydrophobicContact CD1-CB 3.61Å; I561-K584 HydrophobicContact CD1-CG 4.04Å; I561-I587 HydrophobicContact CD1-CD1 3.71Å; I561-I587 HydrophobicContact CG1-CD1 3.75Å; I561-I587 HydrophobicContact CG2-CD1 4.16Å
562E86.1Confident79.9Confident6 Ų653.8 Ų53.83%0.02830%0.302CS..EExtended strand (participates in β ladder)trans-126.4133173.3-178.1171-161.600109.4V372 H466 L467 S544 T545 I564V372-E562 WeakPolarHBondContact CG1-OE2 3.03Å; H466-E562 IonicContact CG-OE1 3.76Å; H466-E562 IonicContact ND1-OE1 3.91Å; H466-E562 PolarHBondContact ND1-OE1 3.29Å; L467-E562 CarbonylContact O-C 3.56Å; L467-E562 VanDerWaalsContact O-CA 3.31Å; L467-E562 WeakPolarHBondContact O-CA 3.46Å; S544-E562 CarbonylContact C-O 3.25Å; S544-E562 VanDerWaalsContact CA-O 3.31Å; S544-E562 WeakPolarHBondContact CA-O 3.34Å; S544-E562 WeakPolarHBondContact CB-O 3.42Å; T545-E562 PolarHBondContact N-O 2.83Å; T545-E562 PolarHBondContact O-N 3.13Å; E562-I564 HydrophobicContact CG-CD1 3.95Å; E562-I564 HydrophobicContact CG-CG1 4.12Å
563I85.8Confident80.7Confident2 Ų253.1 Ų53.11%0.0128%0.275CS..EExtended strand (participates in β ladder)trans-110.5125.1167.2-65.5-170.9000107.4L467 L565 Q579 L580 L583L467-I563 PolarHBondContact N-O 3.01Å; L467-I563 PolarHBondContact O-N 2.82Å; I563-L565 HydrophobicContact CG2-CD2 3.85Å; I563-L565 HydrophobicContact CG2-CG 3.91Å; I563-Q579 HydrophobicContact CD1-CB 3.74Å; I563-L580 HydrophobicContact CD1-CB 3.8Å; I563-L580 HydrophobicContact CD1-CD1 4.15Å; I563-L580 HydrophobicContact CG1-CB 4.45Å; I563-L580 HydrophobicContact CG1-CD1 3.91Å; I563-L583 HydrophobicContact CG1-CD2 4.42Å
564I82.1Confident82Confident18 Ų1853.9 Ų53.99%0.09228%0.279CS..EExtended strand (participates in β ladder)trans-105.9119.2172.2-60.5113.1000108.2D373 L465 H466 G543 E562D373-I564 HydrophobicContact CB-CB 4.48Å; D373-I564 HydrophobicContact CB-CD1 3.77Å; D373-I564 HydrophobicContact CB-CG1 3.87Å; D373-I564 HydrophobicContact CB-CG2 4.17Å; D373-I564 WeakPolarHBondContact O-CD1 3.33Å; D373-I564 WeakPolarHBondContact O-CG1 3.37Å; L465-I564 WeakPolarHBondContact O-CA 3.5Å; H466-I564 WeakPolarHBondContact ND1-CG1 3.35Å; G543-I564 WeakPolarHBondContact O-CD1 3.22Å; E562-I564 HydrophobicContact CG-CD1 3.95Å; E562-I564 HydrophobicContact CG-CG1 4.12Å
565L85Confident83.2Confident14 Ų1453.4 Ų53.47%0.07328%0.277CS..EExtended strand (participates in β ladder)trans-111.8137173-62.1-176.8000110.2G464 L465 I563 Q569 A576G464-L565 CarbonylContact C-O 3.59Å; G464-L565 WeakPolarHBondContact CA-O 3.13Å; L465-L565 HydrophobicContact CB-CB 4.38Å; L465-L565 HydrophobicContact CD2-CD1 4.47Å; L465-L565 PolarHBondContact N-O 3.31Å; L465-L565 PolarHBondContact O-N 3.04Å; I563-L565 HydrophobicContact CG2-CD2 3.85Å; I563-L565 HydrophobicContact CG2-CG 3.91Å; L565-Q569 HydrophobicContact CB-CB 4.19Å; L565-Q569 HydrophobicContact CD1-CB 4.48Å; L565-A576 HydrophobicContact CD1-CB 3.46Å; L565-A576 VanDerWaalsContact CD1-CB 3.46Å
566P85.5Confident83.8Confident58 Ų5850.4 Ų50.438%0.37726%0.257SS..  trans-64.2162.217828.4-35.8000111.6S568 Q569 S570P566-S568 PolarHBondContact O-N 3.37Å; P566-Q569 HydrophobicContact CG-CB 4.38Å; P566-Q569 HydrophobicContact CG-CG 4.14Å; P566-Q569 PolarHBondContact O-N 2.99Å; P566-S570 PolarHBondContact O-N 2.97Å; P566-S570 VanDerWaalsContact O-N 3.13Å
567P86Confident84Confident59 Ų5952.4 Ų52.438%0.38327%0.265SS..THydrogen-bonded Turntrans-47.4-34176.9-33.136.7000115.7A461 Q569 S570A461-P567 WeakPolarHBondContact O-CB 3.2Å; P567-Q569 PolarHBondContact O-N 3.17Å; P567-S570 PolarHBondContact O-OG 3.11Å
568S84.3Confident83.9Confident107 Ų10758.6 Ų58.675%0.74829%0.289SS*.THydrogen-bonded Turntrans-68.8-19.4179.452.10000114P566P566-S568 PolarHBondContact O-N 3.37Å
569Q83.1Confident84Confident105 Ų10558.8 Ų58.849%0.49129%0.29SS..THydrogen-bonded Turntrans-115.4-7.3-177.6-60.3177.425.100112.6L565 P566 P567 R571 N572L565-Q569 HydrophobicContact CB-CB 4.19Å; L565-Q569 HydrophobicContact CD1-CB 4.48Å; P566-Q569 HydrophobicContact CG-CB 4.38Å; P566-Q569 HydrophobicContact CG-CG 4.14Å; P566-Q569 PolarHBondContact O-N 2.99Å; P567-Q569 PolarHBondContact O-N 3.17Å; Q569-R571 PolarHBondContact O-N 2.86Å; Q569-R571 VanDerWaalsContact O-N 3.14Å; Q569-N572 PolarHBondContact O-N 3.26Å
570S82.9Confident83.9Confident5 Ų558.5 Ų58.54%0.03529%0.289CS..THydrogen-bonded Turntrans-66-17.8-171.964.50000115Y460 P566 P567Y460-S570 VanDerWaalsContact O-CB 3.31Å; Y460-S570 WeakPolarHBondContact O-CB 3.43Å; Y460-S570 PolarHBondContact O-OG 2.67Å; P566-S570 PolarHBondContact O-N 2.97Å; P566-S570 VanDerWaalsContact O-N 3.13Å; P567-S570 PolarHBondContact O-OG 3.11Å
571R79.6Confident83.9Confident223 Ų22360.4 Ų60.484%0.84230%0.301SS*.THydrogen-bonded Turntrans-77.4-21.3179.8-67.5-172.8178.5-177.5-0.5114.2Q569 K573Q569-R571 PolarHBondContact O-N 2.86Å; Q569-R571 VanDerWaalsContact O-N 3.14Å; R571-K573 PolarHBondContact O-N 3.42Å
572N81.7Confident83.8Confident90 Ų9063.2 Ų63.248%0.48132%0.316SS..  trans-92.769.1-178.8-166.6-10.5000111.9Q569 V574 E575 A576Q569-N572 PolarHBondContact O-N 3.26Å; N572-V574 PolarHBondContact O-N 3.21Å; N572-E575 HydrophobicContact CB-CB 4.34Å; N572-E575 VanDerWaalsContact CG-CB 3.45Å; N572-E575 WeakPolarHBondContact ND2-CB 3.36Å; N572-E575 PolarHBondContact O-N 3.44Å; N572-E575 WeakPolarHBondContact OD1-CB 3.32Å; N572-E575 PolarHBondContact OD1-N 3.45Å; N572-E575 VanDerWaalsContact OD1-N 3.12Å; N572-A576 PolarHBondContact O-N 3.16Å; N572-A576 VanDerWaalsContact O-N 3.1Å
573K79.2Confident84Confident71 Ų7163.2 Ų63.231%0.30932%0.316SS..Hα-helixtrans-59.7-30.1-179.9-69.3178.1178.7171.20113.2E457 L465 R571 K577E457-K573 IonicContact OE1-NZ 2.87Å; E457-K573 PolarHBondContact OE1-NZ 3.03Å; L465-K573 HydrophobicContact CD2-CG 4.19Å; R571-K573 PolarHBondContact O-N 3.42Å; K573-K577 WeakPolarHBondContact O-CB 3.33Å; K573-K577 PolarHBondContact O-N 2.96Å
574V79.1Confident84.2Confident123 Ų12365.1 Ų65.175%0.74532%0.324SS*.Hα-helixtrans-65.9-49.4179.5176.80000110.8N572 K577 R578N572-V574 PolarHBondContact O-N 3.21Å; V574-K577 PolarHBondContact O-N 2.9Å; V574-R578 PolarHBondContact O-N 2.8Å; V574-R578 VanDerWaalsContact O-N 3.09Å
575E81.8Confident84.5Confident55 Ų5569.4 Ų69.426%0.25734%0.342SS..Hα-helixtrans-66-42.3177.3176.854.9-159.600111.6N572 K577 R578 Q579N572-E575 HydrophobicContact CB-CB 4.34Å; N572-E575 VanDerWaalsContact CG-CB 3.45Å; N572-E575 WeakPolarHBondContact ND2-CB 3.36Å; N572-E575 PolarHBondContact O-N 3.44Å; N572-E575 WeakPolarHBondContact OD1-CB 3.32Å; N572-E575 PolarHBondContact OD1-N 3.45Å; N572-E575 VanDerWaalsContact OD1-N 3.12Å; E575-K577 VanDerWaalsContact C-N 3.27Å; E575-K577 PolarHBondContact O-N 3.11Å; E575-R578 WeakPolarHBondContact O-CB 3.2Å; E575-R578 PolarHBondContact O-N 2.74Å; E575-R578 VanDerWaalsContact O-N 3.12Å; E575-R578 IonicContact OE1-CZ 3Å; E575-R578 IonicContact OE1-NE 3.12Å; E575-R578 PolarHBondContact OE1-NE 3.29Å; E575-R578 IonicContact OE1-NH2 3.64Å; E575-R578 PolarHBondContact OE1-NH2 3.45Å; E575-R578 IonicContact OE2-CZ 2.76Å; E575-R578 IonicContact OE2-NE 2.8Å; E575-R578 PolarHBondContact OE2-NE 2.94Å; E575-R578 IonicContact OE2-NH2 3.92Å; E575-R578 PolarHBondContact OE2-NH2 2.86Å; E575-Q579 WeakPolarHBondContact O-CG 3.48Å; E575-Q579 PolarHBondContact O-N 2.85Å; E575-Q579 PolarHBondContact OE1-NE2 3.05Å
576A84.5Confident84.8Confident0 Ų070.3 Ų70.30%035%0.348CS..Hα-helixtrans-58.7-39.6176.400000112L465 L467 L565 N572 Q579 L580L465-A576 HydrophobicContact CD2-CB 3.85Å; L467-A576 HydrophobicContact CD1-CB 3.43Å; L467-A576 VanDerWaalsContact CD1-CB 3.43Å; L565-A576 HydrophobicContact CD1-CB 3.46Å; L565-A576 VanDerWaalsContact CD1-CB 3.46Å; N572-A576 PolarHBondContact O-N 3.16Å; N572-A576 VanDerWaalsContact O-N 3.1Å; A576-Q579 PolarHBondContact O-N 3.07Å; A576-L580 PolarHBondContact O-N 3.27Å; A576-L580 VanDerWaalsContact O-N 3.1Å
577K84Confident85.1Confident89 Ų8967.6 Ų67.639%0.38733%0.331SS..Hα-helixtrans-67-39.8175.5-172.862.8177.9-177.60112.3K573 V574 E575 L580 D581K573-K577 WeakPolarHBondContact O-CB 3.33Å; K573-K577 PolarHBondContact O-N 2.96Å; V574-K577 PolarHBondContact O-N 2.9Å; E575-K577 VanDerWaalsContact C-N 3.27Å; E575-K577 PolarHBondContact O-N 3.11Å; K577-L580 HydrophobicContact CD-CD2 4.27Å; K577-L580 WeakPolarHBondContact O-CB 3.49Å; K577-L580 PolarHBondContact O-N 3.32Å; K577-D581 PolarHBondContact O-N 2.9Å
578R84.2Confident85.3Confident130 Ų13065.5 Ų65.549%0.49132%0.316SS..Hα-helixtrans-60.1-47175.1-172.3-174.772.788.4-5.8111.4V574 E575 L580 D581 D582V574-R578 PolarHBondContact O-N 2.8Å; V574-R578 VanDerWaalsContact O-N 3.09Å; E575-R578 WeakPolarHBondContact O-CB 3.2Å; E575-R578 PolarHBondContact O-N 2.74Å; E575-R578 VanDerWaalsContact O-N 3.12Å; E575-R578 IonicContact OE1-CZ 3Å; E575-R578 IonicContact OE1-NE 3.12Å; E575-R578 PolarHBondContact OE1-NE 3.29Å; E575-R578 IonicContact OE1-NH2 3.64Å; E575-R578 PolarHBondContact OE1-NH2 3.45Å; E575-R578 IonicContact OE2-CZ 2.76Å; E575-R578 IonicContact OE2-NE 2.8Å; E575-R578 PolarHBondContact OE2-NE 2.94Å; E575-R578 IonicContact OE2-NH2 3.92Å; E575-R578 PolarHBondContact OE2-NH2 2.86Å; R578-L580 VanDerWaalsContact C-N 3.31Å; R578-L580 PolarHBondContact O-N 3.24Å; R578-D581 PolarHBondContact O-N 3.18Å; R578-D582 IonicContact NH1-OD2 3.79Å; R578-D582 PolarHBondContact NH1-OD2 3.44Å; R578-D582 PolarHBondContact O-N 3.41Å
579Q86Confident85.5Confident54 Ų5463.3 Ų63.325%0.25230%0.301SS..Hα-helixtrans-60.2-40.5176.9-69177.46.400112I563 E575 A576 D581 D582 L583I563-Q579 HydrophobicContact CD1-CB 3.74Å; E575-Q579 WeakPolarHBondContact O-CG 3.48Å; E575-Q579 PolarHBondContact O-N 2.85Å; E575-Q579 PolarHBondContact OE1-NE2 3.05Å; A576-Q579 PolarHBondContact O-N 3.07Å; Q579-D581 PolarHBondContact O-N 3.08Å; Q579-D582 PolarHBondContact O-N 3.24Å; Q579-L583 VanDerWaalsContact O-CB 3.32Å; Q579-L583 WeakPolarHBondContact O-CB 3.29Å; Q579-L583 PolarHBondContact O-N 3.46Å
580L86.1Confident85.8Confident1 Ų162.4 Ų62.41%0.00530%0.299CS..Hα-helixtrans-62.1-43.3176.3-173.868.1000111.7L467 I561 I563 A576 K577 R578 K584L467-L580 HydrophobicContact CB-CD2 4.3Å; I561-L580 HydrophobicContact CB-CD1 4.02Å; I561-L580 HydrophobicContact CG2-CD1 3.62Å; I563-L580 HydrophobicContact CD1-CB 3.8Å; I563-L580 HydrophobicContact CD1-CD1 4.15Å; I563-L580 HydrophobicContact CG1-CB 4.45Å; I563-L580 HydrophobicContact CG1-CD1 3.91Å; A576-L580 PolarHBondContact O-N 3.27Å; A576-L580 VanDerWaalsContact O-N 3.1Å; K577-L580 HydrophobicContact CD-CD2 4.27Å; K577-L580 WeakPolarHBondContact O-CB 3.49Å; K577-L580 PolarHBondContact O-N 3.32Å; R578-L580 VanDerWaalsContact C-N 3.31Å; R578-L580 PolarHBondContact O-N 3.24Å; L580-K584 VanDerWaalsContact O-CB 3.3Å; L580-K584 WeakPolarHBondContact O-CB 3.49Å; L580-K584 PolarHBondContact O-N 3.45Å
581D84.9Confident86.3Confident59 Ų5962.6 Ų62.632%0.31630%0.299SS..Hα-helixtrans-69.7-34.3179.1-73.7-27.2000112.6K577 R578 Q579 K585K577-D581 PolarHBondContact O-N 2.9Å; R578-D581 PolarHBondContact O-N 3.18Å; Q579-D581 PolarHBondContact O-N 3.08Å; D581-K585 WeakPolarHBondContact O-CG 3.23Å; D581-K585 PolarHBondContact O-N 2.88Å
582D87.7Confident86.9Confident58 Ų5852 Ų5231%0.3126%0.259SS..Hα-helixtrans-72.1-45.2175.6-71.7-22.9000111.4R578 Q579 K584 K585 V586R578-D582 IonicContact NH1-OD2 3.79Å; R578-D582 PolarHBondContact NH1-OD2 3.44Å; R578-D582 PolarHBondContact O-N 3.41Å; Q579-D582 PolarHBondContact O-N 3.24Å; D582-K584 VanDerWaalsContact C-N 3.28Å; D582-K584 PolarHBondContact O-N 2.79Å; D582-K585 WeakPolarHBondContact O-CB 3.29Å; D582-K585 PolarHBondContact O-N 3.18Å; D582-K585 VanDerWaalsContact O-N 3.09Å; D582-K585 IonicContact OD1-NZ 2.75Å; D582-K585 PolarHBondContact OD1-NZ 3.19Å; D582-V586 PolarHBondContact O-N 3.08Å
583L89.9Confident87.2Confident6 Ų651 Ų513%0.03125%0.252CS..Hα-helixtrans-59.4-40.4174.2-17759.2000111.5F504 L540 I561 I563 Q579 K585 V586 I587F504-L583 HydrophobicContact CD2-CD1 4.49Å; L540-L583 HydrophobicContact CD1-CD1 3.77Å; L540-L583 HydrophobicContact CD1-CD2 4.16Å; I561-L583 HydrophobicContact CG2-CD2 3.68Å; I561-L583 HydrophobicContact CG2-CG 4.18Å; I563-L583 HydrophobicContact CG1-CD2 4.42Å; Q579-L583 VanDerWaalsContact O-CB 3.32Å; Q579-L583 WeakPolarHBondContact O-CB 3.29Å; Q579-L583 PolarHBondContact O-N 3.46Å; L583-K585 PolarHBondContact O-N 2.84Å; L583-V586 PolarHBondContact O-N 3.36Å; L583-I587 HydrophobicContact CD1-CD1 4.08Å; L583-I587 HydrophobicContact CD1-CG1 4.28Å; L583-I587 HydrophobicContact CD2-CD1 4.38Å; L583-I587 HydrophobicContact CG-CD1 3.73Å; L583-I587 HydrophobicContact CG-CG1 4.39Å; L583-I587 WeakPolarHBondContact O-CG1 3.41Å; L583-I587 PolarHBondContact O-N 3.47Å
584K89.8Confident87.3Confident42 Ų4248.5 Ų48.518%0.18324%0.243CC..Hα-helixtrans-56.8-45.8173175.8-172.6168.5-174.90112.4Y469 Y559 I561 L580 D582 V586 I587 I588Y469-K584 HydrophobicContact CD1-CD 3.98Å; Y469-K584 HydrophobicContact CE1-CD 3.54Å; Y469-K584 HydrophobicContact CE1-CG 4.31Å; Y469-K584 VanDerWaalsContact CZ-NZ 3.33Å; Y469-K584 PolarHBondContact OH-NZ 2.95Å; Y559-K584 HydrophobicContact CE2-CG 4.32Å; Y559-K584 WeakPolarHBondContact OH-CE 3.48Å; I561-K584 HydrophobicContact CD1-CB 3.61Å; I561-K584 HydrophobicContact CD1-CG 4.04Å; L580-K584 VanDerWaalsContact O-CB 3.3Å; L580-K584 WeakPolarHBondContact O-CB 3.49Å; L580-K584 PolarHBondContact O-N 3.45Å; D582-K584 VanDerWaalsContact C-N 3.28Å; D582-K584 PolarHBondContact O-N 2.79Å; K584-V586 VanDerWaalsContact C-N 3.29Å; K584-V586 PolarHBondContact O-N 3.45Å; K584-I587 PolarHBondContact O-N 2.8Å; K584-I588 HydrophobicContact CG-CG1 4.47Å; K584-I588 WeakPolarHBondContact O-CB 3.48Å; K584-I588 VanDerWaalsContact O-CG1 3.23Å; K584-I588 WeakPolarHBondContact O-CG1 3.39Å; K584-I588 PolarHBondContact O-N 2.49Å
585K88.7Confident86.8Confident108 Ų10848.2 Ų48.247%0.4723%0.233SC..Hα-helixtrans-61.5-41.5179.7-68.3164.7-160.81580111D581 D582 L583 S589D581-K585 WeakPolarHBondContact O-CG 3.23Å; D581-K585 PolarHBondContact O-N 2.88Å; D582-K585 WeakPolarHBondContact O-CB 3.29Å; D582-K585 PolarHBondContact O-N 3.18Å; D582-K585 VanDerWaalsContact O-N 3.09Å; D582-K585 IonicContact OD1-NZ 2.75Å; D582-K585 PolarHBondContact OD1-NZ 3.19Å; L583-K585 PolarHBondContact O-N 2.84Å; K585-S589 WeakPolarHBondContact O-CB 3.17Å; K585-S589 PolarHBondContact O-N 2.86Å; K585-S589 PolarHBondContact O-OG 2.81Å
586V91.4Very high86.7Confident34 Ų3450.3 Ų50.321%0.20624%0.242CC..Hα-helixtrans-65.9-49.8177.8173.60000111.3G502 D582 L583 K584 I588 S589 D590G502-V586 VanDerWaalsContact N-CG1 3.27Å; D582-V586 PolarHBondContact O-N 3.08Å; L583-V586 PolarHBondContact O-N 3.36Å; K584-V586 VanDerWaalsContact C-N 3.29Å; K584-V586 PolarHBondContact O-N 3.45Å; V586-I588 VanDerWaalsContact C-N 3.26Å; V586-I588 PolarHBondContact O-N 3.1Å; V586-S589 WeakPolarHBondContact CA-OG 3.15Å; V586-S589 PolarHBondContact O-N 2.67Å; V586-S589 VanDerWaalsContact O-N 3.16Å; V586-S589 PolarHBondContact O-OG 3.27Å; V586-S589 VanDerWaalsContact O-OG 3.11Å; V586-D590 WeakPolarHBondContact O-CB 3.33Å; V586-D590 PolarHBondContact O-N 3.09Å
587I92.6Very high86.6Confident0 Ų050.4 Ų50.40%024%0.242CC..Iπ-helixtrans-57.5-43177.7-69.5163.2000110.8F546 I561 L583 K584 F591 F592F546-I587 HydrophobicContact CB-CD1 3.53Å; F546-I587 HydrophobicContact CD1-CD1 3.55Å; F546-I587 HydrophobicContact CD1-CG1 3.92Å; F546-I587 HydrophobicContact CD2-CD1 3.88Å; F546-I587 HydrophobicContact CD2-CG1 3.96Å; F546-I587 HydrophobicContact CD2-CG2 3.93Å; F546-I587 HydrophobicContact CE1-CD1 4.18Å; F546-I587 HydrophobicContact CE1-CG1 4.04Å; F546-I587 HydrophobicContact CE2-CD1 4.48Å; F546-I587 HydrophobicContact CE2-CG1 4.09Å; F546-I587 HydrophobicContact CE2-CG2 4.17Å; F546-I587 HydrophobicContact CG-CD1 3.37Å; F546-I587 HydrophobicContact CG-CG1 3.88Å; F546-I587 HydrophobicContact CZ-CG1 4.13Å; I561-I587 HydrophobicContact CD1-CD1 3.71Å; I561-I587 HydrophobicContact CG1-CD1 3.75Å; I561-I587 HydrophobicContact CG2-CD1 4.16Å; L583-I587 HydrophobicContact CD1-CD1 4.08Å; L583-I587 HydrophobicContact CD1-CG1 4.28Å; L583-I587 HydrophobicContact CD2-CD1 4.38Å; L583-I587 HydrophobicContact CG-CD1 3.73Å; L583-I587 HydrophobicContact CG-CG1 4.39Å; L583-I587 WeakPolarHBondContact O-CG1 3.41Å; L583-I587 PolarHBondContact O-N 3.47Å; K584-I587 PolarHBondContact O-N 2.8Å; I587-F591 WeakPolarHBondContact O-CB 3.23Å; I587-F591 PolarHBondContact O-N 3.07Å; I587-F591 VanDerWaalsContact O-N 3.13Å; I587-F592 HydrophobicContact CG2-CD2 3.84Å; I587-F592 HydrophobicContact CG2-CE2 3.85Å; I587-F592 PolarHBondContact O-N 3.42Å
588I89.9Confident86.1Confident15 Ų1546.8 Ų46.88%0.07723%0.228CC..Iπ-helixtrans-64-47.4177.1-69.9-67.3000111.4L473 Y559 K584 V586 F592 Q593 P594 M601L473-I588 HydrophobicContact CD1-CD1 3.82Å; L473-I588 HydrophobicContact CD2-CD1 4.43Å; L473-I588 HydrophobicContact CG-CD1 4.38Å; Y559-I588 HydrophobicContact CD1-CD1 4.44Å; Y559-I588 HydrophobicContact CE1-CD1 3.77Å; Y559-I588 HydrophobicContact CE2-CD1 4.39Å; K584-I588 HydrophobicContact CG-CG1 4.47Å; K584-I588 WeakPolarHBondContact O-CB 3.48Å; K584-I588 VanDerWaalsContact O-CG1 3.23Å; K584-I588 WeakPolarHBondContact O-CG1 3.39Å; K584-I588 PolarHBondContact O-N 2.49Å; V586-I588 VanDerWaalsContact C-N 3.26Å; V586-I588 PolarHBondContact O-N 3.1Å; I588-F592 HydrophobicContact CD1-CD2 3.97Å; I588-F592 HydrophobicContact CD1-CG 4.39Å; I588-F592 WeakPolarHBondContact O-CB 3.25Å; I588-Q593 PolarHBondContact O-N 3.11Å; I588-P594 HydrophobicContact CG2-CG 3.96Å; I588-P594 WeakPolarHBondContact O-CD 3.32Å; I588-M601 HydrophobicContact CD1-SD 4.21Å; I588-M601 HydrophobicContact CG1-SD 4.46Å; I588-M601 HydrophobicContact CG2-CE 3.9Å; I588-M601 HydrophobicContact CG2-SD 3.55Å; I588-M601 VanDerWaalsContact CG2-SD 3.55Å
589S88Confident85.8Confident62 Ų6241.1 Ų41.143%0.43421%0.207SC..Iπ-helixtrans-70.7-50.2-177.242.20000112.6K585 V586 Q593K585-S589 WeakPolarHBondContact O-CB 3.17Å; K585-S589 PolarHBondContact O-N 2.86Å; K585-S589 PolarHBondContact O-OG 2.81Å; V586-S589 WeakPolarHBondContact CA-OG 3.15Å; V586-S589 PolarHBondContact O-N 2.67Å; V586-S589 VanDerWaalsContact O-N 3.16Å; V586-S589 PolarHBondContact O-OG 3.27Å; V586-S589 VanDerWaalsContact O-OG 3.11Å; S589-Q593 WeakPolarHBondContact O-CG 3.01Å
590D90.3Very high85Confident85 Ų8539.1 Ų39.146%0.45520%0.198SC..Iπ-helixtrans-89.5-34.5-166.5-64.6-10.8000113.3V586 Q593V586-D590 WeakPolarHBondContact O-CB 3.33Å; V586-D590 PolarHBondContact O-N 3.09Å; D590-Q593 WeakPolarHBondContact O-CG 3.04Å; D590-Q593 PolarHBondContact O-NE2 3.08Å
591F93.8Very high84Confident9 Ų943.2 Ų43.24%0.03922%0.218CC..Iπ-helixtrans-99.3-48.3-175.5-68.4-104.5000112L484 L488 A498 K500 C501 Y538 F546 I548 I587L484-F591 WeakPolarHBondContact CD1-O 3.5Å; L488-F591 HydrophobicContact CD2-CB 4.01Å; L488-F591 HydrophobicContact CD2-CD1 3.88Å; L488-F591 HydrophobicContact CD2-CG 4.42Å; L488-F591 WeakPolarHBondContact CD2-O 3.39Å; A498-F591 HydrophobicContact CB-CE1 3.7Å; A498-F591 HydrophobicContact CB-CZ 3.83Å; K500-F591 WeakPolarHBondContact O-CZ 3.44Å; C501-F591 HydrophobicContact CB-CE2 3.74Å; C501-F591 HydrophobicContact CB-CZ 3.86Å; C501-F591 WeakPolarHBondContact SG-CE2 3.41Å; Y538-F591 AromaticContact CD1-CE1 3.98Å; Y538-F591 HydrophobicContact CD1-CE1 3.98Å; Y538-F591 HydrophobicContact CD2-CD1 4.26Å; Y538-F591 HydrophobicContact CD2-CE1 4.11Å; Y538-F591 HydrophobicContact CE1-CD1 4.43Å; Y538-F591 AromaticContact CE1-CE1 3.69Å; Y538-F591 HydrophobicContact CE1-CE1 3.69Å; Y538-F591 AromaticContact CE2-CD1 3.77Å; Y538-F591 HydrophobicContact CE2-CD1 3.77Å; Y538-F591 AromaticContact CE2-CE1 3.8Å; Y538-F591 HydrophobicContact CE2-CE1 3.8Å; Y538-F591 HydrophobicContact CG-CE1 4.2Å; Y538-F591 AromaticContact CZ-CD1 3.88Å; Y538-F591 AromaticContact CZ-CE1 3.59Å; F546-F591 HydrophobicContact CE1-CZ 4.47Å; F546-F591 AromaticContact CE2-CD1 3.73Å; F546-F591 HydrophobicContact CE2-CD1 3.73Å; F546-F591 HydrophobicContact CE2-CD2 4.39Å; F546-F591 HydrophobicContact CE2-CE1 4.01Å; F546-F591 AromaticContact CE2-CG 3.95Å; F546-F591 HydrophobicContact CE2-CG 3.95Å; F546-F591 HydrophobicContact CE2-CZ 4.46Å; F546-F591 AromaticContact CZ-CD1 3.7Å; F546-F591 HydrophobicContact CZ-CD1 3.7Å; F546-F591 HydrophobicContact CZ-CD2 4.1Å; F546-F591 AromaticContact CZ-CE1 3.5Å; F546-F591 HydrophobicContact CZ-CE1 3.5Å; F546-F591 AromaticContact CZ-CE2 3.93Å; F546-F591 HydrophobicContact CZ-CE2 3.93Å; F546-F591 HydrophobicContact CZ-CG 4.02Å; F546-F591 AromaticContact CZ-CZ 3.62Å; F546-F591 HydrophobicContact CZ-CZ 3.62Å; I548-F591 HydrophobicContact CD1-CB 3.8Å; I587-F591 WeakPolarHBondContact O-CB 3.23Å; I587-F591 PolarHBondContact O-N 3.07Å; I587-F591 VanDerWaalsContact O-N 3.13Å
592F91.1Very high82.7Confident0 Ų048.1 Ų48.10%023%0.233CC..Iπ-helixtrans-75.2-28.2-180-85.7-76000113.7L473 L484 I548 V557 Y559 I587 I588 P594 H597 L599L473-F592 HydrophobicContact CD1-CB 3.87Å; L473-F592 HydrophobicContact CD1-CD1 3.1Å; L473-F592 HydrophobicContact CD1-CD2 3.93Å; L473-F592 HydrophobicContact CD1-CE1 3.46Å; L473-F592 VanDerWaalsContact CD1-CE1 3.46Å; L473-F592 HydrophobicContact CD1-CE2 4.26Å; L473-F592 HydrophobicContact CD1-CG 3.34Å; L473-F592 HydrophobicContact CD1-CZ 4.05Å; L484-F592 HydrophobicContact CD2-CD1 4.11Å; L484-F592 HydrophobicContact CD2-CE1 4.18Å; I548-F592 HydrophobicContact CB-CZ 4.04Å; I548-F592 HydrophobicContact CD1-CD2 4.21Å; I548-F592 HydrophobicContact CD1-CE2 3.8Å; I548-F592 HydrophobicContact CD1-CZ 3.98Å; I548-F592 HydrophobicContact CG1-CE1 4.48Å; I548-F592 HydrophobicContact CG1-CE2 3.7Å; I548-F592 HydrophobicContact CG1-CZ 3.64Å; I548-F592 HydrophobicContact CG2-CE1 3.67Å; I548-F592 HydrophobicContact CG2-CE2 4.42Å; I548-F592 HydrophobicContact CG2-CZ 3.53Å; V557-F592 HydrophobicContact CB-CE1 4.15Å; V557-F592 HydrophobicContact CG1-CE1 3.61Å; V557-F592 HydrophobicContact CG1-CZ 4.27Å; Y559-F592 AromaticContact CD1-CE2 3.88Å; Y559-F592 HydrophobicContact CD1-CE2 3.88Å; Y559-F592 AromaticContact CD1-CZ 3.9Å; Y559-F592 HydrophobicContact CD1-CZ 3.9Å; Y559-F592 AromaticContact CG-CE2 3.78Å; Y559-F592 HydrophobicContact CG-CE2 3.78Å; Y559-F592 HydrophobicContact CG-CZ 4.01Å; I587-F592 HydrophobicContact CG2-CD2 3.84Å; I587-F592 HydrophobicContact CG2-CE2 3.85Å; I587-F592 PolarHBondContact O-N 3.42Å; I588-F592 HydrophobicContact CD1-CD2 3.97Å; I588-F592 HydrophobicContact CD1-CG 4.39Å; I588-F592 WeakPolarHBondContact O-CB 3.25Å; F592-P594 VanDerWaalsContact C-N 3.28Å; F592-P594 HydrophobicContact CB-CG 4.19Å; F592-P594 VanDerWaalsContact O-N 3.12Å; F592-H597 PolarHBondContact O-CD2 3.44Å; F592-H597 VanDerWaalsContact O-CD2 3.31Å; F592-L599 HydrophobicContact CB-CD1 4.36Å; F592-L599 HydrophobicContact CD1-CD1 3.63Å; F592-L599 HydrophobicContact CE1-CD1 4.45Å; F592-L599 HydrophobicContact CG-CD1 4.5Å; F592-L599 WeakPolarHBondContact O-CD1 3.48Å
593Q88.4Confident80.8Confident70 Ų7046.9 Ų46.933%0.32723%0.228SC..  trans33.660-175.1-58.5176.26.100111.2I588 S589 D590 E595 K596 H597I588-Q593 PolarHBondContact O-N 3.11Å; S589-Q593 WeakPolarHBondContact O-CG 3.01Å; D590-Q593 WeakPolarHBondContact O-CG 3.04Å; D590-Q593 PolarHBondContact O-NE2 3.08Å; Q593-E595 PolarHBondContact O-N 2.94Å; Q593-K596 HydrophobicContact CB-CB 3.89Å; Q593-K596 HydrophobicContact CB-CD 4.3Å; Q593-K596 WeakPolarHBondContact O-CA 3.3Å; Q593-K596 WeakPolarHBondContact O-CB 3.48Å; Q593-K596 PolarHBondContact O-N 3.09Å; Q593-K596 VanDerWaalsContact OE1-NZ 3.09Å; Q593-H597 PolarHBondContact O-N 3.31Å
594P80.1Confident78.7Confident18 Ų1850.2 Ų50.212%0.11725%0.249CC..THydrogen-bonded Turntrans-54.8-35.1-163.3-27.332000112.9L473 I588 F592 C598 L599 M601L473-P594 HydrophobicContact CD2-CB 4.29Å; L473-P594 HydrophobicContact CD2-CG 4.12Å; I588-P594 HydrophobicContact CG2-CG 3.96Å; I588-P594 WeakPolarHBondContact O-CD 3.32Å; F592-P594 VanDerWaalsContact C-N 3.28Å; F592-P594 HydrophobicContact CB-CG 4.19Å; F592-P594 VanDerWaalsContact O-N 3.12Å; P594-C598 CarbonylContact O-C 3.47Å; P594-C598 WeakPolarHBondContact O-CA 3.38Å; P594-C598 PolarHBondContact O-N 3.42Å; P594-L599 HydrophobicContact CB-CB 4.1Å; P594-L599 WeakPolarHBondContact CB-O 3.35Å; P594-L599 PolarHBondContact O-N 3.41Å; P594-M601 HydrophobicContact CG-CG 4.43Å
595E69.7Low76.6Confident117 Ų11757.5 Ų57.555%0.54728%0.275SS..THydrogen-bonded Turntrans-64.4-43.4176.8-57.7-175.5159.200111.6Q593 M804Q593-E595 PolarHBondContact O-N 2.94Å; E595-M804 HydrophobicContact CB-CB 4.2Å; E595-M804 HydrophobicContact CB-CE 3.42Å; E595-M804 VanDerWaalsContact CB-CE 3.42Å; E595-M804 HydrophobicContact CB-CG 3.87Å; E595-M804 HydrophobicContact CB-SD 4.06Å
596K79.5Confident74.7Confident99 Ų9953.4 Ų53.443%0.4326%0.259SS..THydrogen-bonded Turntrans-70.4-40.9-178.8-175.8-170.2-176.4-165.40111.5D487 Q593 M804D487-K596 WeakPolarHBondContact OD2-CE 3.35Å; D487-K596 IonicContact OD2-NZ 2.79Å; D487-K596 PolarHBondContact OD2-NZ 3.4Å; Q593-K596 HydrophobicContact CB-CB 3.89Å; Q593-K596 HydrophobicContact CB-CD 4.3Å; Q593-K596 WeakPolarHBondContact O-CA 3.3Å; Q593-K596 WeakPolarHBondContact O-CB 3.48Å; Q593-K596 PolarHBondContact O-N 3.09Å; Q593-K596 VanDerWaalsContact OE1-NZ 3.09Å; K596-M804 VanDerWaalsContact CA-CE 3.41Å; K596-M804 HydrophobicContact CB-CE 3.75Å
597H81.6Confident72.8Confident3 Ų352.7 Ų52.71%0.01425%0.253CS..THydrogen-bonded Turntrans-94.512.7-177.7-64-59.4000113.5F480 L484 D487 F592 Q593 L599F480-H597 WeakPolarHBondContact CB-O 3.47Å; L484-H597 VanDerWaalsContact CA-CE1 3.43Å; L484-H597 WeakPolarHBondContact CA-CE1 3.48Å; L484-H597 WeakPolarHBondContact CA-ND1 3.44Å; L484-H597 HydrophobicContact CB-CB 4.25Å; L484-H597 HydrophobicContact CD1-CB 4.45Å; L484-H597 WeakPolarHBondContact CD1-CD2 3.35Å; L484-H597 PolarHBondContact N-ND1 3.18Å; D487-H597 IonicContact OD2-CE1 3.58Å; D487-H597 PolarHBondContact OD2-CE1 2.95Å; D487-H597 IonicContact OD2-NE2 3.35Å; F592-H597 PolarHBondContact O-CD2 3.44Å; F592-H597 VanDerWaalsContact O-CD2 3.31Å; Q593-H597 PolarHBondContact O-N 3.31Å; H597-L599 HydrophobicContact CB-CD1 4.04Å; H597-L599 HydrophobicContact CB-CD2 4.44Å; H597-L599 HydrophobicContact CB-CG 3.81Å; H597-L599 PolarHBondContact O-N 2.91Å; H597-L599 VanDerWaalsContact O-N 3.11Å
598C74.2Confident70.9Confident12 Ų1259.4 Ų59.48%0.08128%0.284CS..THydrogen-bonded Turntrans50.337.9179.3-59.50000113F480 P594F480-C598 HydrophobicContact CD1-CB 4.46Å; F480-C598 HydrophobicContact CD2-CB 3.58Å; F480-C598 HydrophobicContact CE1-CB 4.45Å; F480-C598 HydrophobicContact CE2-CB 3.58Å; F480-C598 HydrophobicContact CG-CB 4.07Å; F480-C598 HydrophobicContact CZ-CB 4.05Å; P594-C598 CarbonylContact O-C 3.47Å; P594-C598 WeakPolarHBondContact O-CA 3.38Å; P594-C598 PolarHBondContact O-N 3.42Å
599L77.6Confident69.2Low11 Ų1168.6 Ų68.66%0.05832%0.318CS..PPolyproline II helixtrans-92.1137.5178.3-52.6176000109.7L473 R474 C475 L484 V557 F592 P594 H597L473-L599 HydrophobicContact CB-CB 4.02Å; L473-L599 HydrophobicContact CD1-CD1 4.2Å; L473-L599 HydrophobicContact CD2-CB 4.25Å; R474-L599 WeakPolarHBondContact O-CA 3.46Å; C475-L599 HydrophobicContact CB-CD2 3.78Å; L484-L599 HydrophobicContact CD2-CD1 4Å; V557-L599 HydrophobicContact CG2-CD2 4.22Å; F592-L599 HydrophobicContact CB-CD1 4.36Å; F592-L599 HydrophobicContact CD1-CD1 3.63Å; F592-L599 HydrophobicContact CE1-CD1 4.45Å; F592-L599 HydrophobicContact CG-CD1 4.5Å; F592-L599 WeakPolarHBondContact O-CD1 3.48Å; P594-L599 HydrophobicContact CB-CB 4.1Å; P594-L599 WeakPolarHBondContact CB-O 3.35Å; P594-L599 PolarHBondContact O-N 3.41Å; H597-L599 HydrophobicContact CB-CD1 4.04Å; H597-L599 HydrophobicContact CB-CD2 4.44Å; H597-L599 HydrophobicContact CB-CG 3.81Å; H597-L599 PolarHBondContact O-N 2.91Å; H597-L599 VanDerWaalsContact O-N 3.11Å
600I68.7Low67.9Low13 Ų1365.9 Ų65.97%0.06730%0.299CS..BIsolated β-bridgetrans-101.3119.7-178.1-51.7153.1000109.2L473 R474 P476 L627 W631L473-I600 WeakPolarHBondContact CA-O 3.43Å; R474-I600 HydrophobicContact CB-CB 4.11Å; R474-I600 HydrophobicContact CB-CD1 4.27Å; R474-I600 HydrophobicContact CG-CD1 4.36Å; R474-I600 PolarHBondContact N-O 2.82Å; R474-I600 PolarHBondContact O-N 3.39Å; P476-I600 HydrophobicContact CG-CD1 3.73Å; I600-L627 HydrophobicContact CG2-CD2 4.24Å; I600-W631 HydrophobicContact CD1-CZ2 3.7Å; I600-W631 HydrophobicContact CG1-CZ2 4.39Å
601M66.8Low66.5Low86 Ų8663.9 Ų63.942%0.42429%0.294SS..PPolyproline II helixtrans-63.6146.2171.8-72.6-102.7-88.400111L473 I588 P594 S603L473-M601 HydrophobicContact CD2-CB 4.27Å; L473-M601 HydrophobicContact CD2-CG 3.62Å; L473-M601 HydrophobicContact CD2-SD 3.92Å; I588-M601 HydrophobicContact CD1-SD 4.21Å; I588-M601 HydrophobicContact CG1-SD 4.46Å; I588-M601 HydrophobicContact CG2-CE 3.9Å; I588-M601 HydrophobicContact CG2-SD 3.55Å; I588-M601 VanDerWaalsContact CG2-SD 3.55Å; P594-M601 HydrophobicContact CG-CG 4.43Å; M601-S603 PolarHBondContact O-N 3.23Å
602R56.6Low65.1Low163 Ų16371.5 Ų71.562%0.61533%0.329SS*.PPolyproline II helixtrans-72.6117.8165.3-149.3178.7-177.2-173.31.4106.9T604R602-T604 PolarHBondContact O-N 3.08Å
603S49.1Very low63.6Low32 Ų3276.2 Ų76.222%0.22435%0.35CS..  trans-45.8118.6-176.759.90000111.8M601 S626 D630M601-S603 PolarHBondContact O-N 3.23Å; S603-S626 WeakPolarHBondContact CB-OG 3.49Å; S603-S626 PolarHBondContact OG-OG 3.47Å; S603-S626 VanDerWaalsContact OG-OG 3.1Å; S603-D630 WeakPolarHBondContact CB-OD2 3.27Å
604T45.1Very low62.1Low76 Ų7674.7 Ų74.747%0.46635%0.347SS..  trans-129.6-30.7176.336.30000114.1R602 Q608R602-T604 PolarHBondContact O-N 3.08Å; T604-Q608 WeakPolarHBondContact O-CG 3.47Å
605R45.6Very low61.3Low195 Ų19583.2 Ų83.274%0.73638%0.382SS*.Hα-helixtrans-93.4-37.3-174.6-81.8-175.4173.1178.5-2.4115.5
606V48.3Very low61.1Low22 Ų2280.9 Ų80.913%0.13339%0.39CS..Hα-helixtrans-78.3-40-175.2-169.90000111.3Q608 R609 L629V606-Q608 VanDerWaalsContact C-N 3.3Å; V606-Q608 PolarHBondContact O-N 3.46Å; V606-R609 PolarHBondContact O-N 3.46Å; V606-R609 VanDerWaalsContact O-N 3.09Å; V606-L629 HydrophobicContact CB-CB 4.32Å; V606-L629 HydrophobicContact CG1-CB 3.86Å; V606-L629 HydrophobicContact CG1-CD1 3.51Å; V606-L629 HydrophobicContact CG1-CG 4.19Å; V606-L629 HydrophobicContact CG2-CB 4.49Å
607W52.2Low60.6Low18 Ų1877.1 Ų77.17%0.06837%0.374CS..Hα-helixtrans-57.9-38.7177.9-99127.9000113.9R609 I610 A611 I617 E622 I625W607-R609 PolarHBondContact O-N 2.86Å; W607-R609 VanDerWaalsContact O-N 3.15Å; W607-I610 HydrophobicContact CD2-CD1 4.47Å; W607-I610 HydrophobicContact CD2-CG1 4.42Å; W607-I610 HydrophobicContact CE3-CD1 3.93Å; W607-I610 HydrophobicContact CE3-CG1 3.62Å; W607-I610 HydrophobicContact CH2-CD1 4.13Å; W607-I610 HydrophobicContact CZ3-CD1 3.78Å; W607-I610 HydrophobicContact CZ3-CG1 3.73Å; W607-I610 PolarHBondContact O-N 3.37Å; W607-I610 VanDerWaalsContact O-N 3.14Å; W607-A611 WeakPolarHBondContact O-CA 3.16Å; W607-A611 WeakPolarHBondContact O-CB 3.33Å; W607-A611 PolarHBondContact O-N 3.21Å; W607-I617 HydrophobicContact CH2-CD1 4.14Å; W607-I617 HydrophobicContact CZ3-CD1 4.44Å; W607-E622 HydrophobicContact CD2-CG 3.94Å; W607-E622 VanDerWaalsContact CE2-O 3.3Å; W607-E622 HydrophobicContact CE3-CG 4.29Å; W607-E622 HydrophobicContact CH2-CB 4.31Å; W607-E622 HydrophobicContact CH2-CG 3.71Å; W607-E622 VanDerWaalsContact CZ2-CA 3.43Å; W607-E622 HydrophobicContact CZ2-CB 3.93Å; W607-E622 HydrophobicContact CZ2-CG 3.26Å; W607-E622 WeakPolarHBondContact CZ2-O 3.42Å; W607-E622 HydrophobicContact CZ3-CG 4.17Å; W607-E622 PolarHBondContact NE1-O 2.93Å; W607-I625 HydrophobicContact CH2-CB 4.04Å; W607-I625 HydrophobicContact CH2-CD1 3.92Å; W607-I625 HydrophobicContact CH2-CG2 3.79Å; W607-I625 HydrophobicContact CZ2-CB 3.61Å; W607-I625 HydrophobicContact CZ2-CD1 4.25Å; W607-I625 HydrophobicContact CZ2-CG2 3.58Å
608Q52.4Low60.2Low141 Ų14181.6 Ų81.666%0.65940%0.398SS*.Hα-helixtrans-59.3-28.8179.2-72.5178.4-19.100113.2T604 V606T604-Q608 WeakPolarHBondContact O-CG 3.47Å; V606-Q608 VanDerWaalsContact C-N 3.3Å; V606-Q608 PolarHBondContact O-N 3.46Å
609R54.4Low60Low208 Ų20887.2 Ų87.279%0.78543%0.427SS*.Hα-helixtrans-75.8-30.2179.2-71.3-177.7168.2-174.8-4.2113.4V606 W607V606-R609 PolarHBondContact O-N 3.46Å; V606-R609 VanDerWaalsContact O-N 3.09Å; W607-R609 PolarHBondContact O-N 2.86Å; W607-R609 VanDerWaalsContact O-N 3.15Å
610I61.3Low59.8Low6 Ų693.2 Ų93.23%0.03145%0.453CS..Hα-helixtrans-112.5-6.5-175.260177.7000113.6W607 H612 F613 I625 L629 V645W607-I610 HydrophobicContact CD2-CD1 4.47Å; W607-I610 HydrophobicContact CD2-CG1 4.42Å; W607-I610 HydrophobicContact CE3-CD1 3.93Å; W607-I610 HydrophobicContact CE3-CG1 3.62Å; W607-I610 HydrophobicContact CH2-CD1 4.13Å; W607-I610 HydrophobicContact CZ3-CD1 3.78Å; W607-I610 HydrophobicContact CZ3-CG1 3.73Å; W607-I610 PolarHBondContact O-N 3.37Å; W607-I610 VanDerWaalsContact O-N 3.14Å; I610-H612 PolarHBondContact O-N 3.35Å; I610-H612 VanDerWaalsContact O-N 3.08Å; I610-F613 PolarHBondContact O-N 3.45Å; I610-I625 HydrophobicContact CD1-CG2 3.97Å; I610-L629 HydrophobicContact CD1-CD1 3.82Å; I610-V645 HydrophobicContact CB-CG1 4.09Å; I610-V645 HydrophobicContact CD1-CG1 4.27Å; I610-V645 HydrophobicContact CD1-CG2 4.49Å
611A60.2Low60.4Low42 Ų4293.2 Ų93.235%0.34745%0.453SS..G310 helixtrans-55.6-28.8-178.300000113.7W607 F613 S614W607-A611 WeakPolarHBondContact O-CA 3.16Å; W607-A611 WeakPolarHBondContact O-CB 3.33Å; W607-A611 PolarHBondContact O-N 3.21Å; A611-F613 PolarHBondContact O-N 3.2Å; A611-S614 WeakPolarHBondContact O-CB 3.46Å; A611-S614 PolarHBondContact O-N 3.33Å; A611-S614 VanDerWaalsContact O-N 3.17Å; A611-S614 PolarHBondContact O-OG 3.1Å
612H63.3Low60.9Low169 Ų16992.6 Ų92.678%0.78245%0.449SS*.G310 helixtrans-68.3-20.5177.2-62.491.2000113.4I610I610-H612 PolarHBondContact O-N 3.35Å; I610-H612 VanDerWaalsContact O-N 3.08Å
613F61.3Low61.7Low99 Ų9992.1 Ų92.143%0.43445%0.447SS..G310 helixtrans-91.32.6175.6-59.2-79.7000112.8I610 A611 K615 V645 K646I610-F613 PolarHBondContact O-N 3.45Å; A611-F613 PolarHBondContact O-N 3.2Å; F613-K615 VanDerWaalsContact C-N 3.33Å; F613-K615 PolarHBondContact O-N 3.45Å; F613-V645 HydrophobicContact CB-CG1 4.23Å; F613-K646 HydrophobicContact CD2-CG 4.26Å; F613-K646 HydrophobicContact CE2-CG 4.1Å; F613-K646 HydrophobicContact CZ-CG 4.26Å
614S57Low63.4Low38 Ų3892 Ų9227%0.26644%0.443SS..  trans-823.2-169.374.30000116.1A611 G616 I617A611-S614 WeakPolarHBondContact O-CB 3.46Å; A611-S614 PolarHBondContact O-N 3.33Å; A611-S614 VanDerWaalsContact O-N 3.17Å; A611-S614 PolarHBondContact O-OG 3.1Å; S614-G616 PolarHBondContact O-N 3.44Å; S614-I617 PolarHBondContact O-N 2.87Å
615K62.9Low65.3Low197 Ų19788.3 Ų88.386%0.85742%0.421SS*.THydrogen-bonded Turntrans-60.3100.1177.2-80.3-173177.7179.60109.9F613F613-K615 VanDerWaalsContact C-N 3.33Å; F613-K615 PolarHBondContact O-N 3.45Å
616G64.3Low67Low69 Ų6979.5 Ų79.571%0.71139%0.389SS*.THydrogen-bonded Turntrans116.2-6.5-179.200000115.5S614S614-G616 PolarHBondContact O-N 3.44Å
617I68.7Low68.6Low19 Ų1979.7 Ų79.710%0.09739%0.389CS..  trans-81.2126.5174.1-58.5-178.4000108.8W607 S614 L621 E622 I625 V645 F650W607-I617 HydrophobicContact CH2-CD1 4.14Å; W607-I617 HydrophobicContact CZ3-CD1 4.44Å; S614-I617 PolarHBondContact O-N 2.87Å; I617-L621 HydrophobicContact CG2-CB 3.95Å; I617-L621 HydrophobicContact CG2-CD2 4.24Å; I617-L621 HydrophobicContact CG2-CG 4.06Å; I617-E622 HydrophobicContact CG2-CB 3.9Å; I617-I625 HydrophobicContact CD1-CD1 4.16Å; I617-I625 HydrophobicContact CG2-CD1 4.49Å; I617-V645 HydrophobicContact CD1-CG1 4.4Å; I617-F650 HydrophobicContact CD1-CD1 4.16Å; I617-F650 HydrophobicContact CD1-CE1 3.63Å; I617-F650 HydrophobicContact CD1-CZ 4.39Å; I617-F650 HydrophobicContact CG1-CD1 3.63Å; I617-F650 HydrophobicContact CG1-CE1 3.3Å; I617-F650 HydrophobicContact CG1-CG 4.41Å; I617-F650 HydrophobicContact CG1-CZ 3.82Å
618D73.7Confident70.3Confident97 Ų9778.9 Ų78.952%0.51939%0.386SS..  trans-78.2159.3171.17233.1000111.9K620 L621 E622D618-K620 PolarHBondContact O-N 3.15Å; D618-K620 WeakPolarHBondContact OD1-CA 3.48Å; D618-K620 WeakPolarHBondContact OD1-CB 3.34Å; D618-K620 PolarHBondContact OD1-N 2.79Å; D618-L621 PolarHBondContact O-N 2.81Å; D618-L621 WeakPolarHBondContact OD1-CB 3.44Å; D618-L621 PolarHBondContact OD1-N 3.01Å; D618-E622 WeakPolarHBondContact O-CB 3.17Å; D618-E622 PolarHBondContact O-N 3.21Å
619D70.4Confident71.9Confident130 Ų13072.2 Ų72.270%0.69536%0.355SS*.Hα-helixtrans-55.2-27.7-178.6-70.70.5000113.3R623D619-R623 WeakPolarHBondContact O-CB 3.26Å; D619-R623 PolarHBondContact O-N 2.98Å; D619-R623 VanDerWaalsContact O-N 3.08Å
620K73.1Confident73.2Confident138 Ų13864.4 Ų64.460%0.633%0.329SS*.Hα-helixtrans-75.1-47.5-178.7-176.7-174.1176.2-1720110.6D618 E622 R623 Q624D618-K620 PolarHBondContact O-N 3.15Å; D618-K620 WeakPolarHBondContact OD1-CA 3.48Å; D618-K620 WeakPolarHBondContact OD1-CB 3.34Å; D618-K620 PolarHBondContact OD1-N 2.79Å; K620-E622 VanDerWaalsContact C-N 3.34Å; K620-R623 WeakPolarHBondContact O-CB 3.4Å; K620-R623 PolarHBondContact O-N 2.62Å; K620-Q624 WeakPolarHBondContact O-CG 3.33Å; K620-Q624 PolarHBondContact O-N 3.14Å; K620-Q624 VanDerWaalsContact O-N 3.09Å
621L81Confident74.4Confident12 Ų1264.8 Ų64.86%0.06333%0.33CS..Hα-helixtrans-67.4-38.5176.7-176.858.7000110.7I617 D618 R623 Q624 I625 F650 L653 A654I617-L621 HydrophobicContact CG2-CB 3.95Å; I617-L621 HydrophobicContact CG2-CD2 4.24Å; I617-L621 HydrophobicContact CG2-CG 4.06Å; D618-L621 PolarHBondContact O-N 2.81Å; D618-L621 WeakPolarHBondContact OD1-CB 3.44Å; D618-L621 PolarHBondContact OD1-N 3.01Å; L621-R623 VanDerWaalsContact C-N 3.3Å; L621-R623 PolarHBondContact O-N 3.44Å; L621-Q624 PolarHBondContact O-N 2.89Å; L621-Q624 VanDerWaalsContact O-N 3.08Å; L621-I625 HydrophobicContact CD1-CD1 4.26Å; L621-I625 HydrophobicContact CD1-CG1 4.33Å; L621-I625 HydrophobicContact CG-CD1 3.89Å; L621-I625 HydrophobicContact CG-CG1 4.47Å; L621-I625 WeakPolarHBondContact O-CG1 3.43Å; L621-I625 PolarHBondContact O-N 2.92Å; L621-F650 HydrophobicContact CD2-CB 4.26Å; L621-L653 HydrophobicContact CD1-CB 4.13Å; L621-L653 HydrophobicContact CD2-CB 4.28Å; L621-A654 HydrophobicContact CD1-CB 4.39Å
622E77.8Confident75.8Confident73 Ų7362.8 Ų62.834%0.34131%0.313SS..Hα-helixtrans-56.2-47.4172.3-170.1-174.2145.300110.4W607 I617 D618 K620 Q624 S626W607-E622 HydrophobicContact CD2-CG 3.94Å; W607-E622 VanDerWaalsContact CE2-O 3.3Å; W607-E622 HydrophobicContact CE3-CG 4.29Å; W607-E622 HydrophobicContact CH2-CB 4.31Å; W607-E622 HydrophobicContact CH2-CG 3.71Å; W607-E622 VanDerWaalsContact CZ2-CA 3.43Å; W607-E622 HydrophobicContact CZ2-CB 3.93Å; W607-E622 HydrophobicContact CZ2-CG 3.26Å; W607-E622 WeakPolarHBondContact CZ2-O 3.42Å; W607-E622 HydrophobicContact CZ3-CG 4.17Å; W607-E622 PolarHBondContact NE1-O 2.93Å; I617-E622 HydrophobicContact CG2-CB 3.9Å; D618-E622 WeakPolarHBondContact O-CB 3.17Å; D618-E622 PolarHBondContact O-N 3.21Å; K620-E622 VanDerWaalsContact C-N 3.34Å; E622-Q624 VanDerWaalsContact C-N 3.28Å; E622-Q624 PolarHBondContact O-N 3.19Å; E622-S626 WeakPolarHBondContact O-CB 3.21Å; E622-S626 PolarHBondContact O-N 3.01Å; E622-S626 VanDerWaalsContact O-N 3.11Å
623R74.3Confident76.9Confident153 Ų15360.3 Ų60.358%0.57730%0.3SS*.Hα-helixtrans-61.8-37.1176.7-174.2178179.4-180-0.1112.7D619 K620 L621 S626 L627D619-R623 WeakPolarHBondContact O-CB 3.26Å; D619-R623 PolarHBondContact O-N 2.98Å; D619-R623 VanDerWaalsContact O-N 3.08Å; K620-R623 WeakPolarHBondContact O-CB 3.4Å; K620-R623 PolarHBondContact O-N 2.62Å; L621-R623 VanDerWaalsContact C-N 3.3Å; L621-R623 PolarHBondContact O-N 3.44Å; R623-S626 PolarHBondContact O-OG 3.08Å; R623-L627 HydrophobicContact CG-CD1 4.15Å; R623-L627 WeakPolarHBondContact O-CG 3.35Å; R623-L627 PolarHBondContact O-N 3.17Å; R623-L627 VanDerWaalsContact O-N 3.08Å
624Q84.4Confident78.3Confident29 Ų2957.4 Ų57.414%0.13629%0.289CS..Hα-helixtrans-72.8-43.5-177.2-73.7169.9-18.700112.8K620 L621 E622 S626 L627 W628 L657K620-Q624 WeakPolarHBondContact O-CG 3.33Å; K620-Q624 PolarHBondContact O-N 3.14Å; K620-Q624 VanDerWaalsContact O-N 3.09Å; L621-Q624 PolarHBondContact O-N 2.89Å; L621-Q624 VanDerWaalsContact O-N 3.08Å; E622-Q624 VanDerWaalsContact C-N 3.28Å; E622-Q624 PolarHBondContact O-N 3.19Å; Q624-S626 VanDerWaalsContact C-N 3.27Å; Q624-S626 PolarHBondContact O-N 3.34Å; Q624-L627 PolarHBondContact O-N 3.3Å; Q624-W628 PolarHBondContact O-N 2.92Å; Q624-L657 HydrophobicContact CB-CB 3.95Å
625I85.7Confident79.8Confident0 Ų062.1 Ų62.10%031%0.307CS..Hα-helixtrans-60-41.6174.2-68.7159.5000110W607 I610 I617 L621 W628 L629 I641 V645 L653 L657W607-I625 HydrophobicContact CH2-CB 4.04Å; W607-I625 HydrophobicContact CH2-CD1 3.92Å; W607-I625 HydrophobicContact CH2-CG2 3.79Å; W607-I625 HydrophobicContact CZ2-CB 3.61Å; W607-I625 HydrophobicContact CZ2-CD1 4.25Å; W607-I625 HydrophobicContact CZ2-CG2 3.58Å; I610-I625 HydrophobicContact CD1-CG2 3.97Å; I617-I625 HydrophobicContact CD1-CD1 4.16Å; I617-I625 HydrophobicContact CG2-CD1 4.49Å; L621-I625 HydrophobicContact CD1-CD1 4.26Å; L621-I625 HydrophobicContact CD1-CG1 4.33Å; L621-I625 HydrophobicContact CG-CD1 3.89Å; L621-I625 HydrophobicContact CG-CG1 4.47Å; L621-I625 WeakPolarHBondContact O-CG1 3.43Å; L621-I625 PolarHBondContact O-N 2.92Å; I625-W628 WeakPolarHBondContact O-CB 3.27Å; I625-W628 PolarHBondContact O-N 2.82Å; I625-L629 HydrophobicContact CG2-CD1 3.72Å; I625-L629 HydrophobicContact CG2-CG 4.43Å; I625-L629 VanDerWaalsContact O-CG 3.3Å; I625-L629 WeakPolarHBondContact O-CG 3.38Å; I625-L629 PolarHBondContact O-N 3.3Å; I625-I641 HydrophobicContact CG2-CG2 4.22Å; I625-V645 HydrophobicContact CD1-CG2 3.91Å; I625-V645 HydrophobicContact CG1-CG2 4.45Å; I625-V645 HydrophobicContact CG2-CG2 4.22Å; I625-L653 HydrophobicContact CD1-CD1 4.27Å; I625-L653 HydrophobicContact CG1-CD2 4.42Å; I625-L657 HydrophobicContact CB-CD1 4.29Å; I625-L657 HydrophobicContact CG1-CD1 3.49Å; I625-L657 VanDerWaalsContact CG1-CD1 3.49Å
626S79.6Confident81.1Confident9 Ų959.9 Ų59.96%0.06330%0.3CS..Hα-helixtrans-65.6-44.9179.1112.60000112.9S603 E622 R623 Q624 W628 L629 D630S603-S626 WeakPolarHBondContact CB-OG 3.49Å; S603-S626 PolarHBondContact OG-OG 3.47Å; S603-S626 VanDerWaalsContact OG-OG 3.1Å; E622-S626 WeakPolarHBondContact O-CB 3.21Å; E622-S626 PolarHBondContact O-N 3.01Å; E622-S626 VanDerWaalsContact O-N 3.11Å; R623-S626 PolarHBondContact O-OG 3.08Å; Q624-S626 VanDerWaalsContact C-N 3.27Å; Q624-S626 PolarHBondContact O-N 3.34Å; S626-W628 VanDerWaalsContact C-N 3.29Å; S626-W628 PolarHBondContact O-N 3.29Å; S626-L629 PolarHBondContact O-N 3.24Å; S626-D630 VanDerWaalsContact O-CB 3.32Å; S626-D630 WeakPolarHBondContact O-CB 3.3Å; S626-D630 PolarHBondContact O-N 3.05Å
627L83.5Confident82.5Confident27 Ų2757.3 Ų57.314%0.14127%0.27CS..Hα-helixtrans-61.2-41.5176.5-71169.6000111.1I600 R623 Q624 D630 W631I600-L627 HydrophobicContact CG2-CD2 4.24Å; R623-L627 HydrophobicContact CG-CD1 4.15Å; R623-L627 WeakPolarHBondContact O-CG 3.35Å; R623-L627 PolarHBondContact O-N 3.17Å; R623-L627 VanDerWaalsContact O-N 3.08Å; Q624-L627 PolarHBondContact O-N 3.3Å; L627-D630 PolarHBondContact O-N 3.36Å; L627-W631 HydrophobicContact CB-CD2 4.46Å; L627-W631 HydrophobicContact CB-CE3 4.26Å; L627-W631 HydrophobicContact CB-CH2 4.12Å; L627-W631 HydrophobicContact CB-CZ2 4.33Å; L627-W631 HydrophobicContact CB-CZ3 4.07Å; L627-W631 HydrophobicContact CD1-CH2 4.21Å; L627-W631 HydrophobicContact CD2-CH2 4.03Å; L627-W631 HydrophobicContact CD2-CZ2 3.63Å; L627-W631 HydrophobicContact CG-CH2 4.35Å; L627-W631 HydrophobicContact CG-CZ2 4.4Å; L627-W631 WeakPolarHBondContact O-CB 3.42Å; L627-W631 PolarHBondContact O-N 2.98Å
628W87.9Confident83.6Confident0 Ų059 Ų590%028%0.276CS..Hα-helixtrans-57.7-54.6174.5178-85.9000111.6Q624 I625 S626 D630 W631 D632 I641 L657 A674 G675 F676 N680 L682Q624-W628 PolarHBondContact O-N 2.92Å; I625-W628 WeakPolarHBondContact O-CB 3.27Å; I625-W628 PolarHBondContact O-N 2.82Å; S626-W628 VanDerWaalsContact C-N 3.29Å; S626-W628 PolarHBondContact O-N 3.29Å; W628-D630 VanDerWaalsContact C-N 3.25Å; W628-D630 PolarHBondContact O-N 3.28Å; W628-W631 PolarHBondContact O-N 3.42Å; W628-D632 HydrophobicContact CZ2-CB 4.25Å; W628-D632 WeakPolarHBondContact CZ2-OD2 3.2Å; W628-D632 WeakPolarHBondContact O-CB 3.33Å; W628-D632 PolarHBondContact O-N 3.4Å; W628-I641 HydrophobicContact CD2-CG1 4.29Å; W628-I641 HydrophobicContact CG-CG1 4.1Å; W628-I641 VanDerWaalsContact NE1-CG1 3.32Å; W628-L657 HydrophobicContact CB-CD2 3.96Å; W628-L657 HydrophobicContact CD2-CD2 3.94Å; W628-L657 HydrophobicContact CE3-CD2 3.82Å; W628-L657 HydrophobicContact CG-CD2 4Å; W628-A674 HydrophobicContact CZ2-CB 3.79Å; W628-G675 VanDerWaalsContact CZ3-O 3.26Å; W628-G675 WeakPolarHBondContact CZ3-O 3.36Å; W628-F676 HydrophobicContact CB-CE2 4.34Å; W628-F676 HydrophobicContact CB-CZ 4.12Å; W628-F676 AromaticContact CE3-CD1 3.86Å; W628-F676 HydrophobicContact CE3-CD1 3.86Å; W628-F676 HydrophobicContact CE3-CD2 4.4Å; W628-F676 AromaticContact CE3-CE1 3.69Å; W628-F676 HydrophobicContact CE3-CE1 3.69Å; W628-F676 HydrophobicContact CE3-CE2 4.25Å; W628-F676 HydrophobicContact CE3-CG 4.21Å; W628-F676 AromaticContact CE3-CZ 3.89Å; W628-F676 HydrophobicContact CE3-CZ 3.89Å; W628-F676 AromaticContact CZ3-CD1 3.97Å; W628-F676 HydrophobicContact CZ3-CD1 3.97Å; W628-F676 HydrophobicContact CZ3-CE1 4.13Å; W628-F676 HydrophobicContact CZ3-CG 4.44Å; W628-N680 WeakPolarHBondContact CH2-ND2 3.34Å; W628-L682 HydrophobicContact CE3-CD2 4.16Å; W628-L682 HydrophobicContact CH2-CD2 4.41Å; W628-L682 HydrophobicContact CZ3-CD2 4Å
629L85.4Confident84.5Confident2 Ų259.3 Ų59.31%0.0127%0.274CS..Hα-helixtrans-69.2-22.9-175.9-64.5170.7000113.4V606 I610 I625 S626 R638 I641 E642V606-L629 HydrophobicContact CB-CB 4.32Å; V606-L629 HydrophobicContact CG1-CB 3.86Å; V606-L629 HydrophobicContact CG1-CD1 3.51Å; V606-L629 HydrophobicContact CG1-CG 4.19Å; V606-L629 HydrophobicContact CG2-CB 4.49Å; I610-L629 HydrophobicContact CD1-CD1 3.82Å; I625-L629 HydrophobicContact CG2-CD1 3.72Å; I625-L629 HydrophobicContact CG2-CG 4.43Å; I625-L629 VanDerWaalsContact O-CG 3.3Å; I625-L629 WeakPolarHBondContact O-CG 3.38Å; I625-L629 PolarHBondContact O-N 3.3Å; S626-L629 PolarHBondContact O-N 3.24Å; L629-R638 HydrophobicContact CD2-CB 4.21Å; L629-R638 HydrophobicContact CD2-CG 4.45Å; L629-R638 PolarHBondContact O-NH1 3.15Å; L629-R638 PolarHBondContact O-NH2 3.38Å; L629-I641 HydrophobicContact CD2-CB 4.44Å; L629-I641 HydrophobicContact CD2-CG2 4.34Å; L629-E642 HydrophobicContact CD1-CG 4.45Å; L629-E642 HydrophobicContact CD2-CG 4Å
630D80.7Confident85.6Confident43 Ų4356.2 Ų56.223%0.2326%0.255CS..Hα-helixtrans-78.3-39.4173.7-74.7-19.3000111.7S603 S626 L627 W628S603-D630 WeakPolarHBondContact CB-OD2 3.27Å; S626-D630 VanDerWaalsContact O-CB 3.32Å; S626-D630 WeakPolarHBondContact O-CB 3.3Å; S626-D630 PolarHBondContact O-N 3.05Å; L627-D630 PolarHBondContact O-N 3.36Å; W628-D630 VanDerWaalsContact C-N 3.25Å; W628-D630 PolarHBondContact O-N 3.28Å
631W86.7Confident86.5Confident15 Ų1549.7 Ų49.76%0.05723%0.227CC..Hα-helixtrans-87-42.3-175.3-65.5-19.8000114.3I600 L627 W628 K633 F676 L682 L800 P802 W807I600-W631 HydrophobicContact CD1-CZ2 3.7Å; I600-W631 HydrophobicContact CG1-CZ2 4.39Å; L627-W631 HydrophobicContact CB-CD2 4.46Å; L627-W631 HydrophobicContact CB-CE3 4.26Å; L627-W631 HydrophobicContact CB-CH2 4.12Å; L627-W631 HydrophobicContact CB-CZ2 4.33Å; L627-W631 HydrophobicContact CB-CZ3 4.07Å; L627-W631 HydrophobicContact CD1-CH2 4.21Å; L627-W631 HydrophobicContact CD2-CH2 4.03Å; L627-W631 HydrophobicContact CD2-CZ2 3.63Å; L627-W631 HydrophobicContact CG-CH2 4.35Å; L627-W631 HydrophobicContact CG-CZ2 4.4Å; L627-W631 WeakPolarHBondContact O-CB 3.42Å; L627-W631 PolarHBondContact O-N 2.98Å; W628-W631 PolarHBondContact O-N 3.42Å; W631-K633 PolarHBondContact O-N 3.15Å; W631-F676 AromaticContact CE3-CE1 3.75Å; W631-F676 HydrophobicContact CE3-CE1 3.75Å; W631-F676 AromaticContact CE3-CZ 3.71Å; W631-F676 HydrophobicContact CE3-CZ 3.71Å; W631-F676 AromaticContact CZ3-CE1 3.87Å; W631-F676 HydrophobicContact CZ3-CE1 3.87Å; W631-F676 AromaticContact CZ3-CZ 3.69Å; W631-F676 HydrophobicContact CZ3-CZ 3.69Å; W631-L682 HydrophobicContact CB-CD1 4.09Å; W631-L682 HydrophobicContact CB-CD2 3.96Å; W631-L800 HydrophobicContact CE3-CB 4.35Å; W631-L800 HydrophobicContact CH2-CB 3.41Å; W631-L800 VanDerWaalsContact CH2-CB 3.41Å; W631-L800 HydrophobicContact CH2-CD1 3.89Å; W631-L800 HydrophobicContact CH2-CG 4.31Å; W631-L800 HydrophobicContact CZ2-CB 4.11Å; W631-L800 HydrophobicContact CZ3-CB 3.56Å; W631-L800 HydrophobicContact CZ3-CD1 4.07Å; W631-L800 HydrophobicContact CZ3-CG 4.39Å; W631-P802 HydrophobicContact CB-CG 4.3Å; W631-W807 WeakPolarHBondContact O-CH2 3.43Å
632D89.8Confident86.9Confident0 Ų051.1 Ų51.10%023%0.233CC..  trans-70.9131.1-176.6-170.520.1000110.5W628 N634 T637 R638 L682W628-D632 HydrophobicContact CZ2-CB 4.25Å; W628-D632 WeakPolarHBondContact CZ2-OD2 3.2Å; W628-D632 WeakPolarHBondContact O-CB 3.33Å; W628-D632 PolarHBondContact O-N 3.4Å; D632-N634 PolarHBondContact OD1-N 2.98Å; D632-N634 VanDerWaalsContact OD1-N 3.11Å; D632-T637 WeakPolarHBondContact OD2-CB 3.28Å; D632-T637 PolarHBondContact OD2-OG1 2.92Å; D632-R638 HydrophobicContact CB-CG 4.08Å; D632-R638 VanDerWaalsContact O-CD 3.3Å; D632-R638 WeakPolarHBondContact O-CD 3.26Å; D632-R638 PolarHBondContact O-NH1 3.5Å; D632-L682 HydrophobicContact CB-CD2 3.96Å
633K87.2Confident87.5Confident116 Ų11651.7 Ų51.750%0.50424%0.236SC..  trans-106.1-7.6177-58.2-57.2-173.3-176.70112.6W631 E635 W807W631-K633 PolarHBondContact O-N 3.15Å; K633-E635 PolarHBondContact O-N 3.48Å; K633-W807 HydrophobicContact CB-CD2 3.91Å; K633-W807 HydrophobicContact CB-CE3 4.11Å; K633-W807 HydrophobicContact CB-CG 4.39Å; K633-W807 HydrophobicContact CB-CH2 4.28Å; K633-W807 HydrophobicContact CB-CZ2 4.1Å; K633-W807 HydrophobicContact CB-CZ3 4.27Å; K633-W807 HydrophobicContact CG-CD2 4.18Å; K633-W807 HydrophobicContact CG-CE3 3.84Å; K633-W807 HydrophobicContact CG-CH2 4.05Å; K633-W807 HydrophobicContact CG-CZ2 4.38Å; K633-W807 HydrophobicContact CG-CZ3 3.76Å
634N89.7Confident88.4Confident38 Ų3845.4 Ų45.420%0.20321%0.213CC..  trans-78.8116.8176.9-174.7-61.1000110D632 Q636 T637 R638 E681D632-N634 PolarHBondContact OD1-N 2.98Å; D632-N634 VanDerWaalsContact OD1-N 3.11Å; N634-Q636 VanDerWaalsContact C-N 3.31Å; N634-Q636 PolarHBondContact O-N 3.31Å; N634-Q636 WeakPolarHBondContact OD1-CB 3.37Å; N634-Q636 PolarHBondContact OD1-N 2.96Å; N634-Q636 VanDerWaalsContact OD1-N 3.1Å; N634-T637 WeakPolarHBondContact CB-OG1 3.42Å; N634-T637 PolarHBondContact O-OG1 3.43Å; N634-T637 PolarHBondContact OD1-N 3.48Å; N634-T637 PolarHBondContact OD1-OG1 3.42Å; N634-R638 WeakPolarHBondContact O-CD 3.31Å; N634-R638 WeakPolarHBondContact O-CG 3.38Å; N634-R638 PolarHBondContact O-N 3.29Å; N634-R638 VanDerWaalsContact O-N 3.12Å; N634-E681 PolarHBondContact ND2-OE2 3.39Å
635E88.4Confident88.5Confident137 Ų13744 Ų4464%0.6421%0.207SC*.Hα-helixtrans-63.8-36.6-173.7-171.7172.3-170.400112.6K633 R638 Q639K633-E635 PolarHBondContact O-N 3.48Å; E635-R638 PolarHBondContact O-N 3.2Å; E635-Q639 HydrophobicContact CG-CG 4.36Å; E635-Q639 WeakPolarHBondContact O-CB 3.28Å; E635-Q639 VanDerWaalsContact O-CG 3.25Å; E635-Q639 WeakPolarHBondContact O-CG 3.5Å; E635-Q639 PolarHBondContact O-N 3.4Å; E635-Q639 PolarHBondContact OE1-NE2 3.35Å
636Q91.8Very high88.5Confident150 Ų15048.7 Ų48.770%0.70123%0.227SC*.Hα-helixtrans-64.8-47.6-178.3-174.5-178.9500111.7N634 Q639 E640N634-Q636 VanDerWaalsContact C-N 3.31Å; N634-Q636 PolarHBondContact O-N 3.31Å; N634-Q636 WeakPolarHBondContact OD1-CB 3.37Å; N634-Q636 PolarHBondContact OD1-N 2.96Å; N634-Q636 VanDerWaalsContact OD1-N 3.1Å; Q636-Q639 PolarHBondContact O-N 2.89Å; Q636-E640 PolarHBondContact O-N 3.18Å
637T93.3Very high88.9Confident16 Ų1654.1 Ų54.110%0.09825%0.252CS..Hα-helixtrans-73.9-27.7-179.845.70000112.7D632 N634 I641 A674 N680D632-T637 WeakPolarHBondContact OD2-CB 3.28Å; D632-T637 PolarHBondContact OD2-OG1 2.92Å; N634-T637 WeakPolarHBondContact CB-OG1 3.42Å; N634-T637 PolarHBondContact O-OG1 3.43Å; N634-T637 PolarHBondContact OD1-N 3.48Å; N634-T637 PolarHBondContact OD1-OG1 3.42Å; T637-I641 PolarHBondContact O-N 3.29Å; T637-A674 HydrophobicContact CG2-CB 4.16Å; T637-A674 WeakPolarHBondContact O-CB 3.32Å; T637-N680 HydrophobicContact CG2-CB 4.49Å
638R91.6Very high88.9Confident55 Ų5554.5 Ų54.521%0.20826%0.262CS..Hα-helixtrans-63.9-49.2167.6-69.6167.969106.910111.6L629 D632 N634 E635 E640 I641 E642L629-R638 HydrophobicContact CD2-CB 4.21Å; L629-R638 HydrophobicContact CD2-CG 4.45Å; L629-R638 PolarHBondContact O-NH1 3.15Å; L629-R638 PolarHBondContact O-NH2 3.38Å; D632-R638 HydrophobicContact CB-CG 4.08Å; D632-R638 VanDerWaalsContact O-CD 3.3Å; D632-R638 WeakPolarHBondContact O-CD 3.26Å; D632-R638 PolarHBondContact O-NH1 3.5Å; N634-R638 WeakPolarHBondContact O-CD 3.31Å; N634-R638 WeakPolarHBondContact O-CG 3.38Å; N634-R638 PolarHBondContact O-N 3.29Å; N634-R638 VanDerWaalsContact O-N 3.12Å; E635-R638 PolarHBondContact O-N 3.2Å; R638-E640 PolarHBondContact O-N 3.02Å; R638-I641 PolarHBondContact O-N 3.32Å; R638-E642 WeakPolarHBondContact O-CG 3.42Å; R638-E642 PolarHBondContact O-N 3.16Å
639Q91.5Very high88.9Confident103 Ų10355.9 Ų55.948%0.48127%0.273SS..Hα-helixtrans-60.4-35.9178.1-74.2176.16.700111.6E635 Q636 E642 Q643E635-Q639 HydrophobicContact CG-CG 4.36Å; E635-Q639 WeakPolarHBondContact O-CB 3.28Å; E635-Q639 VanDerWaalsContact O-CG 3.25Å; E635-Q639 WeakPolarHBondContact O-CG 3.5Å; E635-Q639 PolarHBondContact O-N 3.4Å; E635-Q639 PolarHBondContact OE1-NE2 3.35Å; Q636-Q639 PolarHBondContact O-N 2.89Å; Q639-E642 PolarHBondContact O-N 2.94Å; Q639-Q643 VanDerWaalsContact O-CB 3.32Å; Q639-Q643 WeakPolarHBondContact O-CB 3.38Å; Q639-Q643 PolarHBondContact O-N 3.37Å
640E94.5Very high88.9Confident65 Ų6558 Ų5830%0.30428%0.283SS..Hα-helixtrans-59.9-47.5174.3-172.2179.4179.300112.3Q636 R638 Q643 L644 R656 A674Q636-E640 PolarHBondContact O-N 3.18Å; R638-E640 PolarHBondContact O-N 3.02Å; E640-Q643 PolarHBondContact O-N 3.05Å; E640-L644 WeakPolarHBondContact O-CG 3.32Å; E640-L644 PolarHBondContact O-N 2.74Å; E640-L644 VanDerWaalsContact O-N 3.09Å; E640-R656 IonicContact OE1-CZ 2.84Å; E640-R656 IonicContact OE1-NH1 3.6Å; E640-R656 PolarHBondContact OE1-NH1 3.02Å; E640-R656 IonicContact OE1-NH2 2.81Å; E640-A674 HydrophobicContact CB-CB 3.94Å; E640-A674 HydrophobicContact CG-CB 4.06Å; E640-A674 VanDerWaalsContact OE2-CB 3.26Å; E640-A674 WeakPolarHBondContact OE2-CB 3.46Å; E640-A674 PolarHBondContact OE2-N 2.87Å
641I92.5Very high88.9Confident0 Ų062.2 Ų62.20%031%0.31CS..Hα-helixtrans-65.4-42.3175.2-66.3-55000111.5I625 W628 L629 T637 R638 Q643 L644 V645 L653 L657 A674I625-I641 HydrophobicContact CG2-CG2 4.22Å; W628-I641 HydrophobicContact CD2-CG1 4.29Å; W628-I641 HydrophobicContact CG-CG1 4.1Å; W628-I641 VanDerWaalsContact NE1-CG1 3.32Å; L629-I641 HydrophobicContact CD2-CB 4.44Å; L629-I641 HydrophobicContact CD2-CG2 4.34Å; T637-I641 PolarHBondContact O-N 3.29Å; R638-I641 PolarHBondContact O-N 3.32Å; I641-Q643 VanDerWaalsContact C-N 3.27Å; I641-Q643 PolarHBondContact O-N 3.19Å; I641-L644 HydrophobicContact CD1-CD1 4.36Å; I641-L644 PolarHBondContact O-N 2.88Å; I641-V645 WeakPolarHBondContact O-CG2 3.46Å; I641-V645 PolarHBondContact O-N 3.1Å; I641-V645 VanDerWaalsContact O-N 3.08Å; I641-L653 HydrophobicContact CD1-CD2 4.09Å; I641-L653 HydrophobicContact CG2-CD2 4.05Å; I641-L657 HydrophobicContact CD1-CD1 4.4Å; I641-L657 HydrophobicContact CD1-CD2 4.25Å; I641-L657 HydrophobicContact CD1-CG 4.49Å; I641-L657 HydrophobicContact CG2-CD1 4.47Å; I641-A674 HydrophobicContact CD1-CB 3.79Å; I641-A674 HydrophobicContact CG1-CB 3.74Å
642E89.5Confident88.9Confident43 Ų4364.7 Ų64.720%0.20132%0.322CS..Hα-helixtrans-60.6-37.2176.7-71.4-179.3-172.100112.1L629 R638 Q639 V645 K646L629-E642 HydrophobicContact CD1-CG 4.45Å; L629-E642 HydrophobicContact CD2-CG 4Å; R638-E642 WeakPolarHBondContact O-CG 3.42Å; R638-E642 PolarHBondContact O-N 3.16Å; Q639-E642 PolarHBondContact O-N 2.94Å; E642-V645 PolarHBondContact O-N 2.86Å; E642-K646 WeakPolarHBondContact O-CG 3.46Å; E642-K646 PolarHBondContact O-N 3.12Å; E642-K646 VanDerWaalsContact O-N 3.13Å
643Q90.7Very high88.9Confident84 Ų8464.7 Ų64.739%0.39332%0.322SS..Hα-helixtrans-69.1-44.6178-17458.526.700111.9Q639 E640 I641 V645 K646 E647Q639-Q643 VanDerWaalsContact O-CB 3.32Å; Q639-Q643 WeakPolarHBondContact O-CB 3.38Å; Q639-Q643 PolarHBondContact O-N 3.37Å; E640-Q643 PolarHBondContact O-N 3.05Å; I641-Q643 VanDerWaalsContact C-N 3.27Å; I641-Q643 PolarHBondContact O-N 3.19Å; Q643-V645 PolarHBondContact O-N 3.37Å; Q643-K646 WeakPolarHBondContact O-CB 3.48Å; Q643-K646 PolarHBondContact O-N 3.14Å; Q643-K646 VanDerWaalsContact O-N 3.08Å; Q643-E647 WeakPolarHBondContact CG-OE1 3.39Å; Q643-E647 PolarHBondContact NE2-OE1 3.44Å; Q643-E647 WeakPolarHBondContact O-CG 3.49Å; Q643-E647 PolarHBondContact O-N 3.27Å
644L91.6Very high88.8Confident21 Ų2161 Ų6111%0.1131%0.313CS..Hα-helixtrans-60.2-33.9174.8-70.8172.7000112.4E640 I641 G648 A649 E652 L653E640-L644 WeakPolarHBondContact O-CG 3.32Å; E640-L644 PolarHBondContact O-N 2.74Å; E640-L644 VanDerWaalsContact O-N 3.09Å; I641-L644 HydrophobicContact CD1-CD1 4.36Å; I641-L644 PolarHBondContact O-N 2.88Å; L644-G648 PolarHBondContact O-N 2.97Å; L644-A649 HydrophobicContact CB-CB 4.34Å; L644-A649 HydrophobicContact CD2-CB 3.81Å; L644-A649 PolarHBondContact O-N 3.46Å; L644-E652 HydrophobicContact CD1-CG 4.34Å; L644-E652 HydrophobicContact CD2-CG 4.31Å; L644-L653 HydrophobicContact CB-CD1 4.17Å; L644-L653 HydrophobicContact CB-CD2 3.77Å; L644-L653 HydrophobicContact CB-CG 3.83Å; L644-L653 HydrophobicContact CD1-CD2 4.16Å; L644-L653 HydrophobicContact CD1-CG 4.5Å
645V87.1Confident88.6Confident0 Ų062.7 Ų62.70%032%0.322CS..Hα-helixtrans-66.5-44.2173.6172.90000111.1I610 F613 I617 I625 I641 E642 Q643 E647 G648 L653I610-V645 HydrophobicContact CB-CG1 4.09Å; I610-V645 HydrophobicContact CD1-CG1 4.27Å; I610-V645 HydrophobicContact CD1-CG2 4.49Å; F613-V645 HydrophobicContact CB-CG1 4.23Å; I617-V645 HydrophobicContact CD1-CG1 4.4Å; I625-V645 HydrophobicContact CD1-CG2 3.91Å; I625-V645 HydrophobicContact CG1-CG2 4.45Å; I625-V645 HydrophobicContact CG2-CG2 4.22Å; I641-V645 WeakPolarHBondContact O-CG2 3.46Å; I641-V645 PolarHBondContact O-N 3.1Å; I641-V645 VanDerWaalsContact O-N 3.08Å; E642-V645 PolarHBondContact O-N 2.86Å; Q643-V645 PolarHBondContact O-N 3.37Å; V645-E647 VanDerWaalsContact C-N 3.3Å; V645-E647 PolarHBondContact O-N 3.17Å; V645-G648 PolarHBondContact O-N 3.35Å; V645-L653 HydrophobicContact CB-CD1 4.44Å; V645-L653 HydrophobicContact CG2-CD1 3.69Å; V645-L653 HydrophobicContact CG2-CD2 4.28Å
646K84.9Confident88.8Confident99 Ų9957.8 Ų57.843%0.4330%0.297SS..Hα-helixtrans-63.9-34.5177.6-69.7168.4-170.8167.30112.7F613 E642 Q643 G648F613-K646 HydrophobicContact CD2-CG 4.26Å; F613-K646 HydrophobicContact CE2-CG 4.1Å; F613-K646 HydrophobicContact CZ-CG 4.26Å; E642-K646 WeakPolarHBondContact O-CG 3.46Å; E642-K646 PolarHBondContact O-N 3.12Å; E642-K646 VanDerWaalsContact O-N 3.13Å; Q643-K646 WeakPolarHBondContact O-CB 3.48Å; Q643-K646 PolarHBondContact O-N 3.14Å; Q643-K646 VanDerWaalsContact O-N 3.08Å; K646-G648 VanDerWaalsContact C-N 3.29Å
647E88.7Confident88.8Confident123 Ų12350.8 Ų50.858%0.57527%0.265SS*.THydrogen-bonded Turntrans-78.8-9.1178.9-70.9171.6-173.900113.6Q643 V645 A649Q643-E647 WeakPolarHBondContact CG-OE1 3.39Å; Q643-E647 PolarHBondContact NE2-OE1 3.44Å; Q643-E647 WeakPolarHBondContact O-CG 3.49Å; Q643-E647 PolarHBondContact O-N 3.27Å; V645-E647 VanDerWaalsContact C-N 3.3Å; V645-E647 PolarHBondContact O-N 3.17Å; E647-A649 VanDerWaalsContact C-N 3.28Å; E647-A649 PolarHBondContact O-N 3.43Å
648G84.3Confident88.2Confident34 Ų3452 Ų5235%0.35128%0.277SS..THydrogen-bonded Turntrans6925.2-175.300000113.5L644 V645 K646 F650L644-G648 PolarHBondContact O-N 2.97Å; V645-G648 PolarHBondContact O-N 3.35Å; K646-G648 VanDerWaalsContact C-N 3.29Å; G648-F650 PolarHBondContact O-N 2.8Å
649A88.1Confident87.7Confident29 Ų2953.1 Ų53.124%0.2429%0.289CS..  trans-77.752-177.800000112.5L644 E647 V651 E652 L653L644-A649 HydrophobicContact CB-CB 4.34Å; L644-A649 HydrophobicContact CD2-CB 3.81Å; L644-A649 PolarHBondContact O-N 3.46Å; E647-A649 VanDerWaalsContact C-N 3.28Å; E647-A649 PolarHBondContact O-N 3.43Å; A649-V651 VanDerWaalsContact C-N 3.32Å; A649-V651 PolarHBondContact O-N 2.99Å; A649-E652 HydrophobicContact CB-CB 4.37Å; A649-E652 PolarHBondContact O-N 2.93Å; A649-E652 VanDerWaalsContact O-N 3.12Å; A649-L653 PolarHBondContact O-N 2.68Å
650F84.5Confident87.6Confident48 Ų4850.7 Ų50.721%0.21128%0.278CS..Hα-helixtrans-64.8-29.8-168.8-54.2-45.6000114.3I617 L621 G648 L653 A654I617-F650 HydrophobicContact CD1-CD1 4.16Å; I617-F650 HydrophobicContact CD1-CE1 3.63Å; I617-F650 HydrophobicContact CD1-CZ 4.39Å; I617-F650 HydrophobicContact CG1-CD1 3.63Å; I617-F650 HydrophobicContact CG1-CE1 3.3Å; I617-F650 HydrophobicContact CG1-CG 4.41Å; I617-F650 HydrophobicContact CG1-CZ 3.82Å; L621-F650 HydrophobicContact CD2-CB 4.26Å; G648-F650 PolarHBondContact O-N 2.8Å; F650-L653 HydrophobicContact CD1-CD1 4.1Å; F650-A654 VanDerWaalsContact O-CB 3.26Å; F650-A654 WeakPolarHBondContact O-CB 3.42Å; F650-A654 PolarHBondContact O-N 3.44Å
651V81.4Confident87.3Confident131 Ų13148 Ų4879%0.79427%0.266SS*.Hα-helixtrans-65.8-43.1174.6178.60000110.9A649 A654 D655A649-V651 VanDerWaalsContact C-N 3.32Å; A649-V651 PolarHBondContact O-N 2.99Å; V651-A654 PolarHBondContact O-N 3.13Å; V651-D655 PolarHBondContact O-N 3.46Å
652E86.9Confident87.1Confident67 Ų6751.9 Ų51.931%0.31329%0.293SS..Hα-helixtrans-70.5-40.5178.2-17765.2-170.800111.3L644 A649 A654 D655 R656 R678L644-E652 HydrophobicContact CD1-CG 4.34Å; L644-E652 HydrophobicContact CD2-CG 4.31Å; A649-E652 HydrophobicContact CB-CB 4.37Å; A649-E652 PolarHBondContact O-N 2.93Å; A649-E652 VanDerWaalsContact O-N 3.12Å; E652-A654 VanDerWaalsContact C-N 3.33Å; E652-A654 PolarHBondContact O-N 2.98Å; E652-D655 PolarHBondContact O-N 2.88Å; E652-R656 WeakPolarHBondContact O-CB 3.41Å; E652-R656 VanDerWaalsContact O-CG 3.29Å; E652-R656 WeakPolarHBondContact O-CG 3.36Å; E652-R656 PolarHBondContact O-N 3.33Å; E652-R656 IonicContact OE1-CZ 3.79Å; E652-R656 IonicContact OE1-NE 3.32Å; E652-R656 PolarHBondContact OE1-NE 3.41Å; E652-R656 IonicContact OE1-NH2 3.63Å; E652-R656 PolarHBondContact OE1-NH2 3.21Å; E652-R678 IonicContact OE1-NH2 3.56Å; E652-R678 PolarHBondContact OE1-NH2 3.17Å
653L89.5Confident86.9Confident0 Ų051 Ų510%029%0.289CS..Hα-helixtrans-60.4-43.5173-77.3165000111.7L621 I625 I641 L644 V645 A649 F650 R656 L657L621-L653 HydrophobicContact CD1-CB 4.13Å; L621-L653 HydrophobicContact CD2-CB 4.28Å; I625-L653 HydrophobicContact CD1-CD1 4.27Å; I625-L653 HydrophobicContact CG1-CD2 4.42Å; I641-L653 HydrophobicContact CD1-CD2 4.09Å; I641-L653 HydrophobicContact CG2-CD2 4.05Å; L644-L653 HydrophobicContact CB-CD1 4.17Å; L644-L653 HydrophobicContact CB-CD2 3.77Å; L644-L653 HydrophobicContact CB-CG 3.83Å; L644-L653 HydrophobicContact CD1-CD2 4.16Å; L644-L653 HydrophobicContact CD1-CG 4.5Å; V645-L653 HydrophobicContact CB-CD1 4.44Å; V645-L653 HydrophobicContact CG2-CD1 3.69Å; V645-L653 HydrophobicContact CG2-CD2 4.28Å; A649-L653 PolarHBondContact O-N 2.68Å; F650-L653 HydrophobicContact CD1-CD1 4.1Å; L653-R656 PolarHBondContact O-N 3.36Å; L653-L657 HydrophobicContact CD2-CD1 4.03Å; L653-L657 VanDerWaalsContact O-CB 3.27Å; L653-L657 WeakPolarHBondContact O-CB 3.31Å; L653-L657 WeakPolarHBondContact O-CG 3.34Å; L653-L657 PolarHBondContact O-N 2.96Å
654A85.3Confident86.4Confident38 Ų3847.6 Ų47.631%0.31428%0.276SS..Hα-helixtrans-63.9-43.517600000111.5L621 F650 V651 E652 R656 A658L621-A654 HydrophobicContact CD1-CB 4.39Å; F650-A654 VanDerWaalsContact O-CB 3.26Å; F650-A654 WeakPolarHBondContact O-CB 3.42Å; F650-A654 PolarHBondContact O-N 3.44Å; V651-A654 PolarHBondContact O-N 3.13Å; E652-A654 VanDerWaalsContact C-N 3.33Å; E652-A654 PolarHBondContact O-N 2.98Å; A654-R656 PolarHBondContact O-N 2.75Å; A654-A658 WeakPolarHBondContact O-CA 3.4Å; A654-A658 WeakPolarHBondContact O-CB 3.46Å; A654-A658 PolarHBondContact O-N 3.25Å
655D85.4Confident85.8Confident74 Ų7447.5 Ų47.540%0.39628%0.275SS..Hα-helixtrans-56.2-52.5173.6178.473.1000111V651 E652 L657 N677 R678V651-D655 PolarHBondContact O-N 3.46Å; E652-D655 PolarHBondContact O-N 2.88Å; D655-L657 PolarHBondContact O-N 3.09Å; D655-N677 PolarHBondContact O-ND2 2.69Å; D655-R678 IonicContact OD2-CZ 2.87Å; D655-R678 IonicContact OD2-NH1 3.52Å; D655-R678 PolarHBondContact OD2-NH1 3.21Å; D655-R678 IonicContact OD2-NH2 2.66Å; D655-R678 PolarHBondContact OD2-NH2 3.39Å
656R91.9Very high85.5Confident34 Ų3449.2 Ų49.213%0.12829%0.287CS..Hα-helixtrans-66.2-35.2-173.9-73.4173.5-176.6-141.612.8114.5E640 E652 L653 A654 A674 G675 F676 N677 R678E640-R656 IonicContact OE1-CZ 2.84Å; E640-R656 IonicContact OE1-NH1 3.6Å; E640-R656 PolarHBondContact OE1-NH1 3.02Å; E640-R656 IonicContact OE1-NH2 2.81Å; E652-R656 WeakPolarHBondContact O-CB 3.41Å; E652-R656 VanDerWaalsContact O-CG 3.29Å; E652-R656 WeakPolarHBondContact O-CG 3.36Å; E652-R656 PolarHBondContact O-N 3.33Å; E652-R656 IonicContact OE1-CZ 3.79Å; E652-R656 IonicContact OE1-NE 3.32Å; E652-R656 PolarHBondContact OE1-NE 3.41Å; E652-R656 IonicContact OE1-NH2 3.63Å; E652-R656 PolarHBondContact OE1-NH2 3.21Å; L653-R656 PolarHBondContact O-N 3.36Å; A654-R656 PolarHBondContact O-N 2.75Å; R656-A674 WeakPolarHBondContact CD-O 3.17Å; R656-A674 PolarHBondContact NH1-O 2.8Å; R656-G675 CarbonylContact O-C 3.58Å; R656-G675 WeakPolarHBondContact O-CA 3.49Å; R656-F676 PolarHBondContact O-N 3.08Å; R656-N677 VanDerWaalsContact CA-OD1 3.29Å; R656-N677 WeakPolarHBondContact CA-OD1 3.45Å; R656-N677 PolarHBondContact O-N 2.76Å; R656-N677 PolarHBondContact O-OD1 3.03Å; R656-R678 HydrophobicContact CG-CG 4.49Å
657L90.8Very high85.7Confident2 Ų244.5 Ų44.51%0.0127%0.267CS..Hα-helixtrans-110.8-14.4-168.6-57.9172.7000113.6Q624 I625 W628 I641 L653 D655 F676Q624-L657 HydrophobicContact CB-CB 3.95Å; I625-L657 HydrophobicContact CB-CD1 4.29Å; I625-L657 HydrophobicContact CG1-CD1 3.49Å; I625-L657 VanDerWaalsContact CG1-CD1 3.49Å; W628-L657 HydrophobicContact CB-CD2 3.96Å; W628-L657 HydrophobicContact CD2-CD2 3.94Å; W628-L657 HydrophobicContact CE3-CD2 3.82Å; W628-L657 HydrophobicContact CG-CD2 4Å; I641-L657 HydrophobicContact CD1-CD1 4.4Å; I641-L657 HydrophobicContact CD1-CD2 4.25Å; I641-L657 HydrophobicContact CD1-CG 4.49Å; I641-L657 HydrophobicContact CG2-CD1 4.47Å; L653-L657 HydrophobicContact CD2-CD1 4.03Å; L653-L657 VanDerWaalsContact O-CB 3.27Å; L653-L657 WeakPolarHBondContact O-CB 3.31Å; L653-L657 WeakPolarHBondContact O-CG 3.34Å; L653-L657 PolarHBondContact O-N 2.96Å; D655-L657 PolarHBondContact O-N 3.09Å; L657-F676 HydrophobicContact CB-CD2 4.38Å; L657-F676 HydrophobicContact CD2-CD2 4.04Å; L657-F676 HydrophobicContact CD2-CE2 4.18Å
658A80.9Confident86Confident43 Ų4338.7 Ų38.736%0.35524%0.24SC..Hα-helixtrans-79.6-26.1-178.400000114.5A654A654-A658 WeakPolarHBondContact O-CA 3.4Å; A654-A658 WeakPolarHBondContact O-CB 3.46Å; A654-A658 PolarHBondContact O-N 3.25Å
659T82.1Confident86.3Confident77 Ų7737.9 Ų37.947%0.47223%0.227SC..SBendtrans-122.8152.3-177.658.40000110.2F676 N677T659-F676 CarbonylContact O-C 3.59Å; T659-F676 WeakPolarHBondContact O-CB 3.38Å; T659-N677 WeakPolarHBondContact O-CB 3.48Å; T659-N677 PolarHBondContact O-N 3.17Å; T659-N677 VanDerWaalsContact O-N 3.16Å; T659-N677 PolarHBondContact OG1-ND2 3.02Å
660H88.2Confident86.5Confident53 Ų5336.8 Ų36.825%0.24522%0.218CC..  trans-98.3160171-67.9-91.1000109.6F676 M796 L800H660-F676 CarbonylContact C-O 3.13Å; H660-F676 WeakPolarHBondContact CA-O 3.18Å; H660-F676 AromaticContact CE1-CD1 3.76Å; H660-F676 AromaticContact CE1-CG 3.63Å; H660-F676 AromaticContact ND1-CG 3.88Å; H660-M796 HydrophobicContact CB-CE 3.99Å; H660-L800 VanDerWaalsContact CE1-CD2 3.48Å; H660-L800 WeakPolarHBondContact CE1-CD2 3.1Å
661V89.8Confident86.9Confident8 Ų836 Ų365%0.04822%0.218CC..  trans-53154.8165.5-64.50000110.9I668 A670 F676 M679 V683 I687 M793V661-I668 HydrophobicContact CB-CG2 3.73Å; V661-I668 HydrophobicContact CG1-CG2 4.48Å; V661-I668 HydrophobicContact CG2-CG2 3.92Å; V661-A670 HydrophobicContact CG1-CB 3.8Å; V661-F676 PolarHBondContact N-O 3.31Å; V661-M679 HydrophobicContact CG1-SD 4.37Å; V661-V683 HydrophobicContact CB-CG1 4.39Å; V661-V683 HydrophobicContact CG1-CG1 3.9Å; V661-V683 HydrophobicContact CG2-CG1 3.55Å; V661-I687 HydrophobicContact CG2-CD1 4.02Å; V661-I687 HydrophobicContact CG2-CG1 4.26Å; V661-M793 WeakPolarHBondContact O-CE 3.43Å
662S86.8Confident87.5Confident82 Ų8232 Ų3257%0.57319%0.191SC*.  trans-145.8159.7-178.463.10000111.2G664S662-G664 PolarHBondContact O-N 2.89Å
663F86.1Confident87.9Confident24 Ų2429.6 Ų29.611%0.10518%0.184CC..BIsolated β-bridgetrans-68.5125.3175.3-78.7-87000111.2I668 I776 V784 D789 I792 M793 Y1142F663-I668 HydrophobicContact CD1-CD1 4.41Å; F663-I668 HydrophobicContact CD1-CG1 3.77Å; F663-I668 HydrophobicContact CD2-CD1 4.15Å; F663-I668 HydrophobicContact CD2-CG1 4.09Å; F663-I668 HydrophobicContact CE1-CD1 4.14Å; F663-I668 HydrophobicContact CE1-CG1 3.91Å; F663-I668 HydrophobicContact CE2-CD1 3.87Å; F663-I668 HydrophobicContact CE2-CG1 4.22Å; F663-I668 HydrophobicContact CG-CD1 4.43Å; F663-I668 HydrophobicContact CG-CG1 3.88Å; F663-I668 HydrophobicContact CZ-CD1 3.87Å; F663-I668 HydrophobicContact CZ-CG1 4.14Å; F663-I776 HydrophobicContact CE1-CD1 4.31Å; F663-I776 HydrophobicContact CZ-CD1 3.93Å; F663-V784 HydrophobicContact CD1-CG2 4.26Å; F663-V784 HydrophobicContact CE1-CG2 3.47Å; F663-V784 VanDerWaalsContact CE1-CG2 3.47Å; F663-V784 HydrophobicContact CZ-CG2 3.85Å; F663-D789 HydrophobicContact CB-CB 4.46Å; F663-D789 HydrophobicContact CD1-CB 4.3Å; F663-D789 HydrophobicContact CD2-CB 3.82Å; F663-D789 HydrophobicContact CE2-CB 4.05Å; F663-D789 WeakPolarHBondContact CE2-O 3.34Å; F663-D789 HydrophobicContact CG-CB 3.95Å; F663-D789 HydrophobicContact CZ-CB 4.38Å; F663-I792 HydrophobicContact CE2-CB 4.3Å; F663-I792 HydrophobicContact CE2-CG2 4.23Å; F663-I792 HydrophobicContact CZ-CD1 4.36Å; F663-I792 HydrophobicContact CZ-CG2 4.33Å; F663-M793 HydrophobicContact CD2-CG 3.49Å; F663-M793 VanDerWaalsContact CD2-CG 3.49Å; F663-M793 HydrophobicContact CD2-SD 3.66Å; F663-M793 HydrophobicContact CE2-CG 3.68Å; F663-M793 HydrophobicContact CE2-SD 3.67Å; F663-Y1142 PolarHBondContact O-OH 3.21Å
664G80.2Confident88.2Confident12 Ų1229.6 Ų29.612%0.12418%0.184CC..  trans-89.8-162.9167.800000112.7S662 S666 G667 K1004 Y1142S662-G664 PolarHBondContact O-N 2.89Å; G664-S666 VanDerWaalsContact C-N 3.31Å; G664-G667 WeakPolarHBondContact CA-O 3.02Å; G664-G667 PolarHBondContact N-O 2.86Å; G664-K1004 PolarHBondContact O-NZ 3.48Å; G664-Y1142 WeakPolarHBondContact CA-OH 3.22Å; G664-Y1142 PolarHBondContact O-OH 3.13Å
665I78.1Confident88.6Confident19 Ų1927.8 Ų27.810%0.09717%0.169CC..SBendtrans-64.8-39.6177.6-66176000110.5K1004 Y1142I665-K1004 WeakPolarHBondContact O-CE 3.23Å; I665-K1004 PolarHBondContact O-NZ 3.45Å; I665-Y1142 HydrophobicContact CD1-CD1 4.02Å; I665-Y1142 HydrophobicContact CD1-CE1 4.3Å; I665-Y1142 HydrophobicContact CG1-CD1 3.65Å; I665-Y1142 HydrophobicContact CG1-CD2 4.43Å; I665-Y1142 HydrophobicContact CG1-CE1 3.48Å; I665-Y1142 VanDerWaalsContact CG1-CE1 3.48Å; I665-Y1142 HydrophobicContact CG1-CE2 4.24Å; I665-Y1142 HydrophobicContact CG1-CG 4.2Å; I665-Y1142 PolarHBondContact N-OH 3.06Å
666S81.8Confident89Confident36 Ų3624.5 Ų24.525%0.25215%0.151SC..SBendtrans-12789.7174.4-172.20000111.6G664 K669 K775 E783G664-S666 VanDerWaalsContact C-N 3.31Å; S666-K669 WeakPolarHBondContact O-CE 3.33Å; S666-K775 WeakPolarHBondContact OG-CE 3.49Å; S666-K775 PolarHBondContact OG-NZ 3.33Å; S666-E783 VanDerWaalsContact CA-OE1 3.32Å; S666-E783 WeakPolarHBondContact CA-OE1 3.46Å; S666-E783 VanDerWaalsContact CA-OE2 3.3Å; S666-E783 WeakPolarHBondContact CA-OE2 3.19Å; S666-E783 PolarHBondContact OG-OE2 3.42Å
667G90.1Very high89Confident1 Ų123.8 Ų23.81%0.0115%0.15CC..SBendtrans72.6-165176.500000114.7G664 C774 E783G664-G667 WeakPolarHBondContact CA-O 3.02Å; G664-G667 PolarHBondContact N-O 2.86Å; G667-C774 CarbonylContact C-O 3.48Å; G667-C774 VanDerWaalsContact CA-O 3.3Å; G667-C774 WeakPolarHBondContact CA-O 3.29Å; G667-E783 PolarHBondContact N-OE1 3.37Å
668I93.3Very high89.2Confident0 Ų025.1 Ų25.10%016%0.155CC..EExtended strand (participates in β ladder)trans-97.9122.4173.8-60.6171.5000107.1V661 F663 I687 G773 C774 M793V661-I668 HydrophobicContact CB-CG2 3.73Å; V661-I668 HydrophobicContact CG1-CG2 4.48Å; V661-I668 HydrophobicContact CG2-CG2 3.92Å; F663-I668 HydrophobicContact CD1-CD1 4.41Å; F663-I668 HydrophobicContact CD1-CG1 3.77Å; F663-I668 HydrophobicContact CD2-CD1 4.15Å; F663-I668 HydrophobicContact CD2-CG1 4.09Å; F663-I668 HydrophobicContact CE1-CD1 4.14Å; F663-I668 HydrophobicContact CE1-CG1 3.91Å; F663-I668 HydrophobicContact CE2-CD1 3.87Å; F663-I668 HydrophobicContact CE2-CG1 4.22Å; F663-I668 HydrophobicContact CG-CD1 4.43Å; F663-I668 HydrophobicContact CG-CG1 3.88Å; F663-I668 HydrophobicContact CZ-CD1 3.87Å; F663-I668 HydrophobicContact CZ-CG1 4.14Å; I668-I687 HydrophobicContact CD1-CD1 3.91Å; I668-I687 HydrophobicContact CD1-CG1 4.05Å; I668-I687 HydrophobicContact CD1-CG2 3.98Å; I668-I687 HydrophobicContact CG2-CD1 4.18Å; I668-G773 CarbonylContact O-C 3.55Å; I668-G773 WeakPolarHBondContact O-CA 2.87Å; I668-C774 PolarHBondContact N-O 2.83Å; I668-C774 PolarHBondContact O-N 3.29Å; I668-M793 HydrophobicContact CD1-SD 4.12Å
669K91.9Very high89.9Confident17 Ų1723.1 Ų23.17%0.07414%0.139CC..EExtended strand (participates in β ladder)trans-135.1133.7179.8-56.9-73.6179.9171.10108.4S666 T763 T1162S666-K669 WeakPolarHBondContact O-CE 3.33Å; K669-T763 WeakPolarHBondContact CD-O 3.02Å; K669-T763 VanDerWaalsContact NZ-C 3.25Å; K669-T763 VanDerWaalsContact NZ-CG2 3.35Å; K669-T763 PolarHBondContact NZ-O 3.32Å; K669-T763 PolarHBondContact NZ-OG1 2.9Å; K669-T1162 HydrophobicContact CB-CG2 3.46Å; K669-T1162 VanDerWaalsContact CB-CG2 3.46Å; K669-T1162 VanDerWaalsContact O-CG2 3.23Å; K669-T1162 WeakPolarHBondContact O-CG2 3.28Å
670A92.7Very high90.7Very high6 Ų619.8 Ų19.85%0.0512%0.118CC..EExtended strand (participates in β ladder)trans-156.2156.1-179.200000111.4V661 N677 M679 Y771 N772V661-A670 HydrophobicContact CG1-CB 3.8Å; A670-N677 WeakPolarHBondContact CB-O 3.28Å; A670-M679 HydrophobicContact CB-CG 3.91Å; A670-M679 HydrophobicContact CB-SD 4.3Å; A670-M679 WeakPolarHBondContact O-CG 3.36Å; A670-Y771 VanDerWaalsContact C-CD1 3.4Å; A670-N772 PolarHBondContact N-O 2.99Å; A670-N772 VanDerWaalsContact N-O 3.07Å; A670-N772 PolarHBondContact O-N 2.85Å; A670-N772 VanDerWaalsContact O-O 3.04Å
671P92.5Very high91.1Very high33 Ų3318.4 Ų18.421%0.21411%0.111CC..EExtended strand (participates in β ladder)trans-62.6142173.820.7-24.2000109.8R678 M679 S770 Y771P671-R678 CarbonylContact O-C 3.55Å; P671-R678 WeakPolarHBondContact O-CA 3.22Å; P671-R678 WeakPolarHBondContact O-CB 3.41Å; P671-R678 WeakPolarHBondContact O-CD 3.33Å; P671-M679 PolarHBondContact O-N 3.37Å; P671-S770 CarbonylContact C-O 3.59Å; P671-S770 WeakPolarHBondContact CA-O 3.37Å; P671-Y771 HydrophobicContact CB-CD2 4.37Å; P671-Y771 HydrophobicContact CB-CE1 4.36Å; P671-Y771 HydrophobicContact CB-CE2 4.05Å; P671-Y771 HydrophobicContact CG-CE1 4.33Å
672M94.3Very high91.4Very high45 Ų4518 Ų1822%0.22211%0.109CC..BIsolated β-bridgetrans-69.7147.2174-66.2-177.5-69.400110.8M679 R715 K769 S770 N772M672-M679 WeakPolarHBondContact CA-O 3.39Å; M672-M679 HydrophobicContact CG-CB 4.29Å; M672-R715 HydrophobicContact CE-CB 3.96Å; M672-R715 HydrophobicContact CE-CG 4.39Å; M672-R715 HydrophobicContact SD-CB 3.9Å; M672-K769 WeakPolarHBondContact CE-O 3.39Å; M672-S770 WeakPolarHBondContact CB-O 3.24Å; M672-S770 PolarHBondContact N-O 2.89Å; M672-N772 HydrophobicContact CG-CB 3.9Å; M672-N772 HydrophobicContact SD-CB 4.06Å
673G94.8Very high91.8Very high17 Ų1714.1 Ų14.118%0.1758%0.082CC..SBendtrans143.1-179176.200000112.8R678 M679 N680G673-R678 WeakPolarHBondContact O-CB 3.33Å; G673-M679 PolarHBondContact N-O 2.9Å; G673-N680 PolarHBondContact O-ND2 3.32Å
674A95.9Very high92.3Very high0 Ų013 Ų130%08%0.077CC..SBendtrans-74.1132.6175.500000112.2W628 T637 E640 I641 R656W628-A674 HydrophobicContact CZ2-CB 3.79Å; T637-A674 HydrophobicContact CG2-CB 4.16Å; T637-A674 WeakPolarHBondContact O-CB 3.32Å; E640-A674 HydrophobicContact CB-CB 3.94Å; E640-A674 HydrophobicContact CG-CB 4.06Å; E640-A674 VanDerWaalsContact OE2-CB 3.26Å; E640-A674 WeakPolarHBondContact OE2-CB 3.46Å; E640-A674 PolarHBondContact OE2-N 2.87Å; I641-A674 HydrophobicContact CD1-CB 3.79Å; I641-A674 HydrophobicContact CG1-CB 3.74Å; R656-A674 WeakPolarHBondContact CD-O 3.17Å; R656-A674 PolarHBondContact NH1-O 2.8Å
675G94.4Very high93.1Very high0 Ų012.5 Ų12.50%07%0.071CC..SBendtrans142.7154.9-178.100000113.1W628 R656 N677 R678 N680W628-G675 VanDerWaalsContact CZ3-O 3.26Å; W628-G675 WeakPolarHBondContact CZ3-O 3.36Å; R656-G675 CarbonylContact O-C 3.58Å; R656-G675 WeakPolarHBondContact O-CA 3.49Å; G675-N677 VanDerWaalsContact C-N 3.33Å; G675-R678 PolarHBondContact O-N 2.85Å; G675-N680 PolarHBondContact O-ND2 2.74Å
676F93.6Very high93.9Very high5 Ų511.6 Ų11.62%0.0227%0.067CC..THydrogen-bonded Turntrans-75.1-22.5177.7-69.6-54.1000113.2W628 W631 R656 L657 T659 H660 V661 L682W628-F676 HydrophobicContact CB-CE2 4.34Å; W628-F676 HydrophobicContact CB-CZ 4.12Å; W628-F676 AromaticContact CE3-CD1 3.86Å; W628-F676 HydrophobicContact CE3-CD1 3.86Å; W628-F676 HydrophobicContact CE3-CD2 4.4Å; W628-F676 AromaticContact CE3-CE1 3.69Å; W628-F676 HydrophobicContact CE3-CE1 3.69Å; W628-F676 HydrophobicContact CE3-CE2 4.25Å; W628-F676 HydrophobicContact CE3-CG 4.21Å; W628-F676 AromaticContact CE3-CZ 3.89Å; W628-F676 HydrophobicContact CE3-CZ 3.89Å; W628-F676 AromaticContact CZ3-CD1 3.97Å; W628-F676 HydrophobicContact CZ3-CD1 3.97Å; W628-F676 HydrophobicContact CZ3-CE1 4.13Å; W628-F676 HydrophobicContact CZ3-CG 4.44Å; W631-F676 AromaticContact CE3-CE1 3.75Å; W631-F676 HydrophobicContact CE3-CE1 3.75Å; W631-F676 AromaticContact CE3-CZ 3.71Å; W631-F676 HydrophobicContact CE3-CZ 3.71Å; W631-F676 AromaticContact CZ3-CE1 3.87Å; W631-F676 HydrophobicContact CZ3-CE1 3.87Å; W631-F676 AromaticContact CZ3-CZ 3.69Å; W631-F676 HydrophobicContact CZ3-CZ 3.69Å; R656-F676 PolarHBondContact O-N 3.08Å; L657-F676 HydrophobicContact CB-CD2 4.38Å; L657-F676 HydrophobicContact CD2-CD2 4.04Å; L657-F676 HydrophobicContact CD2-CE2 4.18Å; T659-F676 CarbonylContact O-C 3.59Å; T659-F676 WeakPolarHBondContact O-CB 3.38Å; H660-F676 CarbonylContact C-O 3.13Å; H660-F676 WeakPolarHBondContact CA-O 3.18Å; H660-F676 AromaticContact CE1-CD1 3.76Å; H660-F676 AromaticContact CE1-CG 3.63Å; H660-F676 AromaticContact ND1-CG 3.88Å; V661-F676 PolarHBondContact N-O 3.31Å; F676-L682 HydrophobicContact CE1-CD2 4.05Å
677N91.6Very high94.6Very high20 Ų2010 Ų1011%0.1076%0.055CC..THydrogen-bonded Turntrans-99.316.4172.170.1-3.1000113.3D655 R656 T659 A670 G675D655-N677 PolarHBondContact O-ND2 2.69Å; R656-N677 VanDerWaalsContact CA-OD1 3.29Å; R656-N677 WeakPolarHBondContact CA-OD1 3.45Å; R656-N677 PolarHBondContact O-N 2.76Å; R656-N677 PolarHBondContact O-OD1 3.03Å; T659-N677 WeakPolarHBondContact O-CB 3.48Å; T659-N677 PolarHBondContact O-N 3.17Å; T659-N677 VanDerWaalsContact O-N 3.16Å; T659-N677 PolarHBondContact OG1-ND2 3.02Å; A670-N677 WeakPolarHBondContact CB-O 3.28Å; G675-N677 VanDerWaalsContact C-N 3.33Å
678R94.6Very high94.9Very high29 Ų299.9 Ų9.911%0.1096%0.055CC..SBendtrans-114.3155.4176.2-59.4-59.2-170.5-100.92.1109.6E652 D655 R656 P671 G673 G675 N680 V683E652-R678 IonicContact OE1-NH2 3.56Å; E652-R678 PolarHBondContact OE1-NH2 3.17Å; D655-R678 IonicContact OD2-CZ 2.87Å; D655-R678 IonicContact OD2-NH1 3.52Å; D655-R678 PolarHBondContact OD2-NH1 3.21Å; D655-R678 IonicContact OD2-NH2 2.66Å; D655-R678 PolarHBondContact OD2-NH2 3.39Å; R656-R678 HydrophobicContact CG-CG 4.49Å; P671-R678 CarbonylContact O-C 3.55Å; P671-R678 WeakPolarHBondContact O-CA 3.22Å; P671-R678 WeakPolarHBondContact O-CB 3.41Å; P671-R678 WeakPolarHBondContact O-CD 3.33Å; G673-R678 WeakPolarHBondContact O-CB 3.33Å; G675-R678 PolarHBondContact O-N 2.85Å; R678-N680 PolarHBondContact O-ND2 3.11Å; R678-V683 WeakPolarHBondContact O-CG2 3.2Å
679M96.3Very high94.9Very high2 Ų29.9 Ų9.91%0.016%0.055CC..BIsolated β-bridgetrans-81.8123.1170.1-68.2-52.3-64.200110.8V661 A670 P671 M672 G673 V683 V684 I687 F720 N772V661-M679 HydrophobicContact CG1-SD 4.37Å; A670-M679 HydrophobicContact CB-CG 3.91Å; A670-M679 HydrophobicContact CB-SD 4.3Å; A670-M679 WeakPolarHBondContact O-CG 3.36Å; P671-M679 PolarHBondContact O-N 3.37Å; M672-M679 WeakPolarHBondContact CA-O 3.39Å; M672-M679 HydrophobicContact CG-CB 4.29Å; G673-M679 PolarHBondContact N-O 2.9Å; M679-V683 HydrophobicContact SD-CG1 4.43Å; M679-V684 HydrophobicContact CE-CG2 3.51Å; M679-I687 HydrophobicContact CE-CD1 4.47Å; M679-F720 HydrophobicContact CB-CE2 4.34Å; M679-N772 HydrophobicContact CB-CB 4.33Å; M679-N772 HydrophobicContact CG-CB 4.44Å; M679-N772 VanDerWaalsContact CG-O 3.25Å; M679-N772 WeakPolarHBondContact CG-O 3.27Å
680N97.2Very high94.9Very high6 Ų69.1 Ų9.13%0.0325%0.051CC..SBendtrans-159.4174.4177.651.671.1000109.2W628 T637 G673 G675 R678 L682 V683 V684W628-N680 WeakPolarHBondContact CH2-ND2 3.34Å; T637-N680 HydrophobicContact CG2-CB 4.49Å; G673-N680 PolarHBondContact O-ND2 3.32Å; G675-N680 PolarHBondContact O-ND2 2.74Å; R678-N680 PolarHBondContact O-ND2 3.11Å; N680-L682 PolarHBondContact O-N 2.98Å; N680-L682 PolarHBondContact OD1-N 3.1Å; N680-V683 PolarHBondContact O-N 2.82Å; N680-V683 WeakPolarHBondContact OD1-CG2 3.28Å; N680-V683 PolarHBondContact OD1-N 3.21Å; N680-V684 WeakPolarHBondContact O-CG2 3.36Å; N680-V684 PolarHBondContact O-N 2.67Å
681E97.1Very high95Very high24 Ų248.8 Ų8.811%0.1125%0.049CC..Hα-helixtrans-58.1-46.5-177.5-62.9-172.2140.600112.3N634 V683 V684 I685 R719 F720 L723 W807N634-E681 PolarHBondContact ND2-OE2 3.39Å; E681-V683 PolarHBondContact O-N 2.95Å; E681-V684 PolarHBondContact O-N 2.77Å; E681-I685 WeakPolarHBondContact O-CB 3.42Å; E681-I685 WeakPolarHBondContact O-CD1 3.06Å; E681-I685 WeakPolarHBondContact O-CG1 3.36Å; E681-I685 PolarHBondContact O-N 3.03Å; E681-R719 WeakPolarHBondContact OE1-CG 3.31Å; E681-R719 IonicContact OE1-CZ 3.75Å; E681-R719 IonicContact OE1-NE 2.82Å; E681-R719 PolarHBondContact OE1-NE 3.06Å; E681-R719 IonicContact OE1-NH2 2.88Å; E681-F720 HydrophobicContact CG-CD1 4.37Å; E681-F720 HydrophobicContact CG-CE1 3.94Å; E681-L723 HydrophobicContact CB-CD1 3.66Å; E681-L723 HydrophobicContact CG-CD1 3.69Å; E681-W807 PolarHBondContact OE2-NE1 3.34Å
682L95.7Very high95.1Very high0 Ų07.2 Ų7.20%04%0.039CC..Hα-helixtrans-59.6-46.1179.2172.361.7000111.6W628 W631 D632 F676 N680 I685 Q686 P802 W807W628-L682 HydrophobicContact CE3-CD2 4.16Å; W628-L682 HydrophobicContact CH2-CD2 4.41Å; W628-L682 HydrophobicContact CZ3-CD2 4Å; W631-L682 HydrophobicContact CB-CD1 4.09Å; W631-L682 HydrophobicContact CB-CD2 3.96Å; D632-L682 HydrophobicContact CB-CD2 3.96Å; F676-L682 HydrophobicContact CE1-CD2 4.05Å; N680-L682 PolarHBondContact O-N 2.98Å; N680-L682 PolarHBondContact OD1-N 3.1Å; L682-I685 WeakPolarHBondContact O-CB 3.16Å; L682-I685 PolarHBondContact O-N 3.18Å; L682-Q686 HydrophobicContact CD1-CG 4.11Å; L682-Q686 HydrophobicContact CG-CG 4.49Å; L682-Q686 WeakPolarHBondContact O-CB 3.36Å; L682-Q686 VanDerWaalsContact O-CG 3.29Å; L682-Q686 WeakPolarHBondContact O-CG 3.14Å; L682-Q686 PolarHBondContact O-N 2.84Å; L682-P802 HydrophobicContact CD1-CB 4.11Å; L682-P802 HydrophobicContact CD1-CG 3.81Å; L682-W807 HydrophobicContact CB-CH2 4.23Å; L682-W807 HydrophobicContact CB-CZ2 4.02Å; L682-W807 HydrophobicContact CD1-CH2 3.85Å; L682-W807 HydrophobicContact CD1-CZ2 4.5Å
683V96Very high94.9Very high0 Ų06.2 Ų6.20%03%0.034CC..Hα-helixtrans-66.6-40.5-179.3169.20000111.4V661 R678 M679 N680 E681 I685 Q686 I687V661-V683 HydrophobicContact CB-CG1 4.39Å; V661-V683 HydrophobicContact CG1-CG1 3.9Å; V661-V683 HydrophobicContact CG2-CG1 3.55Å; R678-V683 WeakPolarHBondContact O-CG2 3.2Å; M679-V683 HydrophobicContact SD-CG1 4.43Å; N680-V683 PolarHBondContact O-N 2.82Å; N680-V683 WeakPolarHBondContact OD1-CG2 3.28Å; N680-V683 PolarHBondContact OD1-N 3.21Å; E681-V683 PolarHBondContact O-N 2.95Å; V683-I685 VanDerWaalsContact C-N 3.32Å; V683-I685 PolarHBondContact O-N 2.99Å; V683-Q686 PolarHBondContact O-N 2.75Å; V683-I687 HydrophobicContact CG1-CD1 3.95Å; V683-I687 HydrophobicContact CG1-CG1 4.41Å; V683-I687 VanDerWaalsContact O-CG1 3.28Å; V683-I687 WeakPolarHBondContact O-CG1 3.43Å; V683-I687 PolarHBondContact O-N 2.97Å
684V97Very high94.7Very high2 Ų26 Ų61%0.0123%0.028CC..Hα-helixtrans-62.6-41.2174.2171.20000111.3M679 N680 E681 I687 T688 F720M679-V684 HydrophobicContact CE-CG2 3.51Å; N680-V684 WeakPolarHBondContact O-CG2 3.36Å; N680-V684 PolarHBondContact O-N 2.67Å; E681-V684 PolarHBondContact O-N 2.77Å; V684-I687 PolarHBondContact O-N 2.75Å; V684-T688 WeakPolarHBondContact O-CB 3.38Å; V684-T688 PolarHBondContact O-N 3.2Å; V684-T688 PolarHBondContact O-OG1 2.69Å; V684-F720 HydrophobicContact CB-CB 4.47Å; V684-F720 HydrophobicContact CB-CG 4.4Å; V684-F720 HydrophobicContact CG1-CB 4Å; V684-F720 HydrophobicContact CG1-CG 4.46Å; V684-F720 HydrophobicContact CG2-CB 3.99Å; V684-F720 HydrophobicContact CG2-CD1 4.03Å; V684-F720 HydrophobicContact CG2-CD2 3.76Å; V684-F720 HydrophobicContact CG2-CE1 4.46Å; V684-F720 HydrophobicContact CG2-CE2 4.2Å; V684-F720 HydrophobicContact CG2-CG 3.66Å
685I96.3Very high94.5Very high0 Ų06.3 Ų6.30%03%0.029CC..Hα-helixtrans-60.4-47174.4-72.9163.1000110.4E681 L682 V683 T688 Q689 L723 I727 P802 S806 W807E681-I685 WeakPolarHBondContact O-CB 3.42Å; E681-I685 WeakPolarHBondContact O-CD1 3.06Å; E681-I685 WeakPolarHBondContact O-CG1 3.36Å; E681-I685 PolarHBondContact O-N 3.03Å; L682-I685 WeakPolarHBondContact O-CB 3.16Å; L682-I685 PolarHBondContact O-N 3.18Å; V683-I685 VanDerWaalsContact C-N 3.32Å; V683-I685 PolarHBondContact O-N 2.99Å; I685-T688 PolarHBondContact O-N 3.21Å; I685-Q689 HydrophobicContact CG2-CG 4.37Å; I685-Q689 WeakPolarHBondContact O-CB 3.26Å; I685-Q689 VanDerWaalsContact O-CG 3.31Å; I685-Q689 WeakPolarHBondContact O-CG 3.29Å; I685-Q689 PolarHBondContact O-N 2.74Å; I685-L723 HydrophobicContact CD1-CD1 4.43Å; I685-L723 HydrophobicContact CD1-CD2 4.35Å; I685-L723 HydrophobicContact CG1-CB 4.36Å; I685-L723 HydrophobicContact CG1-CD1 4.47Å; I685-I727 HydrophobicContact CB-CD1 4.16Å; I685-I727 HydrophobicContact CG1-CD1 4.16Å; I685-I727 HydrophobicContact CG2-CD1 4.04Å; I685-P802 HydrophobicContact CG2-CB 3.69Å; I685-S806 VanDerWaalsContact CG2-CB 3.46Å; I685-W807 HydrophobicContact CD1-CD2 3.53Å; I685-W807 HydrophobicContact CD1-CE3 3.67Å; I685-W807 HydrophobicContact CD1-CG 4.19Å; I685-W807 HydrophobicContact CD1-CH2 3.87Å; I685-W807 HydrophobicContact CD1-CZ2 3.73Å; I685-W807 HydrophobicContact CD1-CZ3 3.85Å
686Q94.9Very high94.2Very high1 Ų18.2 Ų8.21%0.0054%0.04CC..Hα-helixtrans-61.5-48.2178.9-74.6173.9-19.500111.9L682 V683 T688 Q689 G690 M796 L800L682-Q686 HydrophobicContact CD1-CG 4.11Å; L682-Q686 HydrophobicContact CG-CG 4.49Å; L682-Q686 WeakPolarHBondContact O-CB 3.36Å; L682-Q686 VanDerWaalsContact O-CG 3.29Å; L682-Q686 WeakPolarHBondContact O-CG 3.14Å; L682-Q686 PolarHBondContact O-N 2.84Å; V683-Q686 PolarHBondContact O-N 2.75Å; Q686-T688 VanDerWaalsContact C-N 3.3Å; Q686-T688 PolarHBondContact O-N 2.54Å; Q686-Q689 PolarHBondContact O-N 3.22Å; Q686-G690 PolarHBondContact O-N 2.82Å; Q686-M796 HydrophobicContact CB-CG 3.89Å; Q686-M796 HydrophobicContact CB-SD 4.32Å; Q686-M796 WeakPolarHBondContact O-CG 3.37Å; Q686-L800 WeakPolarHBondContact CG-O 3.36Å; Q686-L800 PolarHBondContact NE2-O 2.93Å
687I95.7Very high93.8Very high1 Ų113.6 Ų13.61%0.0057%0.068CC..Hα-helixtrans-56.7-48.5176.2-66.5163.4000109.7V661 I668 M679 V683 V684 G690 M691 I776 M796V661-I687 HydrophobicContact CG2-CD1 4.02Å; V661-I687 HydrophobicContact CG2-CG1 4.26Å; I668-I687 HydrophobicContact CD1-CD1 3.91Å; I668-I687 HydrophobicContact CD1-CG1 4.05Å; I668-I687 HydrophobicContact CD1-CG2 3.98Å; I668-I687 HydrophobicContact CG2-CD1 4.18Å; M679-I687 HydrophobicContact CE-CD1 4.47Å; V683-I687 HydrophobicContact CG1-CD1 3.95Å; V683-I687 HydrophobicContact CG1-CG1 4.41Å; V683-I687 VanDerWaalsContact O-CG1 3.28Å; V683-I687 WeakPolarHBondContact O-CG1 3.43Å; V683-I687 PolarHBondContact O-N 2.97Å; V684-I687 PolarHBondContact O-N 2.75Å; I687-G690 PolarHBondContact O-N 3.2Å; I687-M691 WeakPolarHBondContact O-CB 3.46Å; I687-M691 PolarHBondContact O-N 3.08Å; I687-I776 HydrophobicContact CG2-CD1 4.14Å; I687-M796 HydrophobicContact CB-SD 4.4Å; I687-M796 HydrophobicContact CG1-SD 3.71Å
688T96.9Very high93.4Very high0 Ų016.2 Ų16.20%09%0.085CC..Hα-helixtrans-69.4-38.4-174.7-510000112.2V684 I685 Q686 M691 C692 A724 I727 F728V684-T688 WeakPolarHBondContact O-CB 3.38Å; V684-T688 PolarHBondContact O-N 3.2Å; V684-T688 PolarHBondContact O-OG1 2.69Å; I685-T688 PolarHBondContact O-N 3.21Å; Q686-T688 VanDerWaalsContact C-N 3.3Å; Q686-T688 PolarHBondContact O-N 2.54Å; T688-M691 PolarHBondContact O-N 3.46Å; T688-C692 WeakPolarHBondContact O-CB 3.41Å; T688-C692 PolarHBondContact O-N 3.32Å; T688-A724 HydrophobicContact CG2-CB 3.95Å; T688-I727 HydrophobicContact CG2-CB 3.95Å; T688-I727 HydrophobicContact CG2-CD1 4.01Å; T688-I727 HydrophobicContact CG2-CG2 3.85Å; T688-F728 HydrophobicContact CG2-CD2 3.78Å; T688-F728 HydrophobicContact CG2-CE2 3.26Å; T688-F728 HydrophobicContact CG2-CZ 3.95Å
689Q94.5Very high92.6Very high0 Ų017.1 Ų17.10%09%0.092CC..Hα-helixtrans-63.3-44.1172.7-77177.4-158.800111.5I685 Q686 M691 C692 D693 I727 S801 P802 W803 S806I685-Q689 HydrophobicContact CG2-CG 4.37Å; I685-Q689 WeakPolarHBondContact O-CB 3.26Å; I685-Q689 VanDerWaalsContact O-CG 3.31Å; I685-Q689 WeakPolarHBondContact O-CG 3.29Å; I685-Q689 PolarHBondContact O-N 2.74Å; Q686-Q689 PolarHBondContact O-N 3.22Å; Q689-M691 VanDerWaalsContact C-N 3.29Å; Q689-M691 PolarHBondContact O-N 2.81Å; Q689-C692 PolarHBondContact O-N 2.87Å; Q689-D693 WeakPolarHBondContact O-CB 3.31Å; Q689-D693 PolarHBondContact O-N 3.42Å; Q689-I727 HydrophobicContact CG-CD1 4.16Å; Q689-I727 HydrophobicContact CG-CG2 4.12Å; Q689-S801 PolarHBondContact NE2-O 3.06Å; Q689-P802 VanDerWaalsContact OE1-CA 3.29Å; Q689-W803 HydrophobicContact CB-CZ2 4.21Å; Q689-W803 HydrophobicContact CG-CD2 3.87Å; Q689-W803 HydrophobicContact CG-CE3 4.26Å; Q689-W803 HydrophobicContact CG-CG 4.35Å; Q689-W803 HydrophobicContact CG-CH2 4.2Å; Q689-W803 HydrophobicContact CG-CZ2 3.83Å; Q689-W803 HydrophobicContact CG-CZ3 4.43Å; Q689-S806 PolarHBondContact OE1-OG 3.32Å
690G91.9Very high91.4Very high0 Ų021.5 Ų21.50%012%0.12CC..Hα-helixtrans-59.9-41.5175.300000112.2Q686 I687 Y694 H795Q686-G690 PolarHBondContact O-N 2.82Å; I687-G690 PolarHBondContact O-N 3.2Å; G690-Y694 WeakPolarHBondContact O-CB 3.3Å; G690-Y694 PolarHBondContact O-N 3.41Å; G690-Y694 VanDerWaalsContact O-N 3.1Å; G690-H795 VanDerWaalsContact O-CB 3.24Å; G690-H795 WeakPolarHBondContact O-CB 3.46Å
691M94.6Very high90.1Very high0 Ų024.3 Ų24.30%014%0.14CC..Hα-helixtrans-63-48.6173.8-176.1-177.5171.200111.6I687 T688 Q689 Y694 M695 I707 F728 A758 I760 I776 I792I687-M691 WeakPolarHBondContact O-CB 3.46Å; I687-M691 PolarHBondContact O-N 3.08Å; T688-M691 PolarHBondContact O-N 3.46Å; Q689-M691 VanDerWaalsContact C-N 3.29Å; Q689-M691 PolarHBondContact O-N 2.81Å; M691-Y694 PolarHBondContact O-N 3.04Å; M691-M695 HydrophobicContact CE-SD 3.66Å; M691-M695 HydrophobicContact CG-CG 4.43Å; M691-M695 HydrophobicContact CG-SD 3.9Å; M691-M695 WeakPolarHBondContact O-CB 3.5Å; M691-M695 VanDerWaalsContact O-CG 3.27Å; M691-M695 WeakPolarHBondContact O-CG 3.35Å; M691-M695 PolarHBondContact O-N 2.84Å; M691-I707 HydrophobicContact CE-CD1 3.55Å; M691-I707 HydrophobicContact CE-CG1 4.44Å; M691-I707 HydrophobicContact SD-CD1 4.38Å; M691-F728 HydrophobicContact CB-CZ 4.29Å; M691-F728 HydrophobicContact CE-CZ 4.14Å; M691-F728 HydrophobicContact CG-CZ 3.92Å; M691-F728 HydrophobicContact SD-CE2 4.29Å; M691-F728 HydrophobicContact SD-CZ 3.83Å; M691-A758 HydrophobicContact CE-CB 3.41Å; M691-A758 VanDerWaalsContact CE-CB 3.41Å; M691-I760 HydrophobicContact SD-CB 4.38Å; M691-I776 HydrophobicContact CE-CG2 3.63Å; M691-I776 HydrophobicContact SD-CD1 3.94Å; M691-I776 HydrophobicContact SD-CG1 4.45Å; M691-I776 HydrophobicContact SD-CG2 3.81Å; M691-I792 HydrophobicContact CB-CG1 4.49Å; M691-I792 HydrophobicContact CB-CG2 4.15Å; M691-I792 HydrophobicContact CG-CD1 4.28Å
692C93.2Very high88.7Confident0 Ų027.3 Ų27.30%016%0.161CC..Hα-helixtrans-61.3-46.5179.2-173.20000112.1T688 Q689 Y694 M695 L696 I727 F728 W803T688-C692 WeakPolarHBondContact O-CB 3.41Å; T688-C692 PolarHBondContact O-N 3.32Å; Q689-C692 PolarHBondContact O-N 2.87Å; C692-Y694 VanDerWaalsContact C-N 3.29Å; C692-Y694 PolarHBondContact O-N 3.47Å; C692-M695 PolarHBondContact O-N 2.8Å; C692-L696 WeakPolarHBondContact O-CB 3.48Å; C692-L696 WeakPolarHBondContact O-CG 3.34Å; C692-L696 PolarHBondContact O-N 3.31Å; C692-I727 HydrophobicContact CB-CG2 4.25Å; C692-F728 HydrophobicContact CB-CD1 4.1Å; C692-F728 HydrophobicContact CB-CE1 3.63Å; C692-F728 HydrophobicContact CB-CZ 4.17Å; C692-W803 HydrophobicContact CB-CH2 4.25Å
693D90.2Very high87.5Confident23 Ų2335.4 Ų35.412%0.12320%0.199CC..Hα-helixtrans-61-40177.8-77.5-13.5000111.6Q689 L697 H795 N799Q689-D693 WeakPolarHBondContact O-CB 3.31Å; Q689-D693 PolarHBondContact O-N 3.42Å; D693-L697 PolarHBondContact O-N 3.48Å; D693-L697 VanDerWaalsContact O-N 3.13Å; D693-H795 HydrophobicContact CB-CB 4.32Å; D693-N799 PolarHBondContact OD2-ND2 3.3Å
694Y91.6Very high86.4Confident14 Ų1438.8 Ų38.86%0.05523%0.234CC..Hα-helixtrans-68.5-43176178.7-127.2000112.4G690 M691 C692 L696 L697 V698 W778 H788 N791 I792 H795G690-Y694 WeakPolarHBondContact O-CB 3.3Å; G690-Y694 PolarHBondContact O-N 3.41Å; G690-Y694 VanDerWaalsContact O-N 3.1Å; M691-Y694 PolarHBondContact O-N 3.04Å; C692-Y694 VanDerWaalsContact C-N 3.29Å; C692-Y694 PolarHBondContact O-N 3.47Å; Y694-L696 VanDerWaalsContact C-N 3.32Å; Y694-L696 PolarHBondContact O-N 3.49Å; Y694-L697 HydrophobicContact CD2-CD2 4.49Å; Y694-L697 WeakPolarHBondContact O-CB 3.43Å; Y694-L697 PolarHBondContact O-N 2.97Å; Y694-L697 VanDerWaalsContact O-N 3.12Å; Y694-V698 HydrophobicContact CD2-CG2 4.04Å; Y694-V698 HydrophobicContact CE1-CG2 4.25Å; Y694-V698 HydrophobicContact CE2-CG2 3.47Å; Y694-V698 VanDerWaalsContact CE2-CG2 3.47Å; Y694-V698 WeakPolarHBondContact O-CG2 3.36Å; Y694-V698 PolarHBondContact O-N 3.26Å; Y694-W778 HydrophobicContact CD1-CH2 4.45Å; Y694-W778 HydrophobicContact CE1-CH2 4.1Å; Y694-W778 HydrophobicContact CE1-CZ3 4.32Å; Y694-H788 HydrophobicContact CE1-CB 4.07Å; Y694-H788 AromaticContact CE1-ND1 3.48Å; Y694-H788 WeakPolarHBondContact CE1-ND1 3.34Å; Y694-H788 AromaticContact CZ-ND1 3.62Å; Y694-H788 PolarHBondContact OH-ND1 3.22Å; Y694-N791 HydrophobicContact CD1-CB 4.07Å; Y694-N791 HydrophobicContact CD2-CB 3.56Å; Y694-N791 HydrophobicContact CE1-CB 3.87Å; Y694-N791 HydrophobicContact CE2-CB 3.36Å; Y694-N791 WeakPolarHBondContact CE2-ND2 3.45Å; Y694-N791 HydrophobicContact CG-CB 3.92Å; Y694-N791 PolarHBondContact OH-ND2 3.1Å; Y694-N791 VanDerWaalsContact OH-ND2 3.13Å; Y694-I792 HydrophobicContact CD1-CG1 3.74Å; Y694-I792 HydrophobicContact CE1-CG1 4.48Å; Y694-I792 HydrophobicContact CG-CG1 4.48Å; Y694-H795 AromaticContact CD2-CD2 3.92Å; Y694-H795 AromaticContact CD2-NE2 3.9Å
695M91.4Very high86.1Confident5 Ų540 Ų403%0.02524%0.238CC..Hα-helixtrans-61.9-40.5176.3-72.4174.775.700111.7M691 C692 L697 V698 N699 I707 F728 F733 D757 A758 W778M691-M695 HydrophobicContact CE-SD 3.66Å; M691-M695 HydrophobicContact CG-CG 4.43Å; M691-M695 HydrophobicContact CG-SD 3.9Å; M691-M695 WeakPolarHBondContact O-CB 3.5Å; M691-M695 VanDerWaalsContact O-CG 3.27Å; M691-M695 WeakPolarHBondContact O-CG 3.35Å; M691-M695 PolarHBondContact O-N 2.84Å; C692-M695 PolarHBondContact O-N 2.8Å; M695-L697 VanDerWaalsContact C-N 3.27Å; M695-L697 PolarHBondContact O-N 3.05Å; M695-V698 PolarHBondContact O-N 2.91Å; M695-N699 PolarHBondContact O-N 3.33Å; M695-I707 HydrophobicContact SD-CD1 4.42Å; M695-F728 HydrophobicContact SD-CE1 3.63Å; M695-F728 HydrophobicContact SD-CZ 3.95Å; M695-F733 HydrophobicContact CB-CE1 4.36Å; M695-F733 HydrophobicContact CB-CZ 4.15Å; M695-F733 HydrophobicContact CE-CD1 4.38Å; M695-F733 HydrophobicContact CE-CE1 3.75Å; M695-D757 HydrophobicContact CE-CB 3.61Å; M695-A758 HydrophobicContact CE-CB 3.5Å; M695-A758 VanDerWaalsContact CE-CB 3.5Å; M695-A758 HydrophobicContact SD-CB 3.86Å; M695-W778 HydrophobicContact CG-CH2 4.16Å; M695-W778 HydrophobicContact CG-CZ3 3.99Å
696L87.3Confident86Confident41 Ų4140.4 Ų40.422%0.21524%0.241CC..Hα-helixtrans-63.7-31.8174.6-71.4173.1000112.7C692 Y694 N699 P700 K731 F733C692-L696 WeakPolarHBondContact O-CB 3.48Å; C692-L696 WeakPolarHBondContact O-CG 3.34Å; C692-L696 PolarHBondContact O-N 3.31Å; Y694-L696 VanDerWaalsContact C-N 3.32Å; Y694-L696 PolarHBondContact O-N 3.49Å; L696-N699 CarbonylContact O-C 3.5Å; L696-P700 VanDerWaalsContact O-CA 3.32Å; L696-P700 WeakPolarHBondContact O-CA 3.42Å; L696-K731 HydrophobicContact CD1-CG 4.47Å; L696-F733 HydrophobicContact CD2-CE2 3.76Å; L696-F733 HydrophobicContact CD2-CZ 3.95Å; L696-F733 HydrophobicContact CG-CE2 4.14Å; L696-F733 HydrophobicContact CG-CZ 4.22Å
697L85.4Confident86.1Confident117 Ų11740.4 Ų40.461%0.61324%0.241SC*.Hα-helixtrans-70.9-42174.4-179.968.5000111.8D693 Y694 M695D693-L697 PolarHBondContact O-N 3.48Å; D693-L697 VanDerWaalsContact O-N 3.13Å; Y694-L697 HydrophobicContact CD2-CD2 4.49Å; Y694-L697 WeakPolarHBondContact O-CB 3.43Å; Y694-L697 PolarHBondContact O-N 2.97Å; Y694-L697 VanDerWaalsContact O-N 3.12Å; M695-L697 VanDerWaalsContact C-N 3.27Å; M695-L697 PolarHBondContact O-N 3.05Å
698V83.7Confident86.2Confident76 Ų7640.3 Ų40.346%0.46124%0.241SC..Hα-helixtrans-75-38-178.8177.80000111.8Y694 M695 W778Y694-V698 HydrophobicContact CD2-CG2 4.04Å; Y694-V698 HydrophobicContact CE1-CG2 4.25Å; Y694-V698 HydrophobicContact CE2-CG2 3.47Å; Y694-V698 VanDerWaalsContact CE2-CG2 3.47Å; Y694-V698 WeakPolarHBondContact O-CG2 3.36Å; Y694-V698 PolarHBondContact O-N 3.26Å; M695-V698 PolarHBondContact O-N 2.91Å; V698-W778 HydrophobicContact CG1-CZ2 4.1Å
699N78.5Confident86.3Confident48 Ų4840.3 Ų40.326%0.25724%0.241SC..  trans-128.684.1178.3-172.63.6000111M695 L696 C701 R705 D757M695-N699 PolarHBondContact O-N 3.33Å; L696-N699 CarbonylContact O-C 3.5Å; N699-C701 PolarHBondContact O-N 3.2Å; N699-C701 PolarHBondContact OD1-N 3.03Å; N699-R705 PolarHBondContact O-NE 3.12Å; N699-D757 PolarHBondContact ND2-OD1 2.87Å
700P71.1Confident86.4Confident94 Ų9440.3 Ų40.361%0.6124%0.241SC*.  trans-76.1-5.6-177.631.1-35.6000113.7L696 P702 R705L696-P700 VanDerWaalsContact O-CA 3.32Å; L696-P700 WeakPolarHBondContact O-CA 3.42Å; P700-P702 WeakPolarHBondContact O-CD 3.14Å; P700-R705 PolarHBondContact O-NH2 3.09Å
701C68.5Low86.7Confident65 Ų6541.2 Ų41.244%0.43924%0.244SC..  trans-75.1123.3176.9-168.30000110.5N699 E703 R705N699-C701 PolarHBondContact O-N 3.2Å; N699-C701 PolarHBondContact OD1-N 3.03Å; C701-E703 VanDerWaalsContact C-N 3.34Å; C701-E703 PolarHBondContact O-N 3.02Å; C701-R705 WeakPolarHBondContact O-CG 3.25Å; C701-R705 PolarHBondContact O-NE 3.34Å; C701-R705 PolarHBondContact O-NH2 3.43Å
702P68.7Low86.8Confident86 Ų8641.3 Ų41.356%0.55825%0.245SC*.SBendtrans-65.9-33.1-179.3-19.831.8000114.1P700P700-P702 WeakPolarHBondContact O-CD 3.14Å
703E70.6Confident87Confident171 Ų17142 Ų4280%0.79925%0.249SC*.THydrogen-bonded Turntrans-75.5132.2-176.8-68.4-179.2-178.200111C701 R705C701-E703 VanDerWaalsContact C-N 3.34Å; C701-E703 PolarHBondContact O-N 3.02Å; E703-R705 VanDerWaalsContact C-N 3.35Å; E703-R705 PolarHBondContact O-N 3.12Å
704G72.9Confident87.2Confident71 Ų7141.3 Ų41.373%0.73225%0.245SC*.THydrogen-bonded Turntrans85.5-5.1175.800000115.8S706G704-S706 PolarHBondContact O-N 3.32Å
705R89.3Confident87.4Confident26 Ų2646.1 Ų46.110%0.09826%0.263CS..  trans-61.8125.7178.1-62.7-167.2-161.2130.91.5111.3N699 P700 C701 E703 F733 R734 D757N699-R705 PolarHBondContact O-NE 3.12Å; P700-R705 PolarHBondContact O-NH2 3.09Å; C701-R705 WeakPolarHBondContact O-CG 3.25Å; C701-R705 PolarHBondContact O-NE 3.34Å; C701-R705 PolarHBondContact O-NH2 3.43Å; E703-R705 VanDerWaalsContact C-N 3.35Å; E703-R705 PolarHBondContact O-N 3.12Å; R705-F733 HydrophobicContact CB-CD1 3.62Å; R705-F733 HydrophobicContact CB-CE1 3.74Å; R705-F733 HydrophobicContact CB-CG 4.12Å; R705-F733 HydrophobicContact CB-CZ 4.36Å; R705-F733 HydrophobicContact CG-CE1 4.27Å; R705-R734 PolarHBondContact O-N 2.89Å; R705-D757 VanDerWaalsContact CA-OD2 3.23Å; R705-D757 WeakPolarHBondContact CA-OD2 3.13Å
706S94.2Very high87.6Confident10 Ų1050.2 Ų50.27%0.0729%0.285CS..EExtended strand (participates in β ladder)trans-144.3149.8-179.255.40000113.9G704 R734 C756 D757G704-S706 PolarHBondContact O-N 3.32Å; S706-R734 CarbonylContact C-O 3.29Å; S706-R734 WeakPolarHBondContact CA-O 3.11Å; S706-C756 WeakPolarHBondContact OG-CA 3.35Å; S706-D757 PolarHBondContact N-OD2 3.35Å; S706-D757 WeakPolarHBondContact O-CB 3.24Å; S706-D757 PolarHBondContact O-N 2.73Å
707I97.2Very high88.1Confident0 Ų048.3 Ų48.30%028%0.275CS..EExtended strand (participates in β ladder)trans-142.5142.2177.8-170.6177.2000110.5M691 M695 V709 F728 F733 R734 V735 F736 A758 I760M691-I707 HydrophobicContact CE-CD1 3.55Å; M691-I707 HydrophobicContact CE-CG1 4.44Å; M691-I707 HydrophobicContact SD-CD1 4.38Å; M695-I707 HydrophobicContact SD-CD1 4.42Å; I707-V709 HydrophobicContact CD1-CG2 4.46Å; I707-V709 HydrophobicContact CG1-CG2 4.46Å; I707-V709 HydrophobicContact CG2-CG2 4.29Å; I707-F728 HydrophobicContact CD1-CD1 4.13Å; I707-F728 HydrophobicContact CD1-CD2 3.53Å; I707-F728 HydrophobicContact CD1-CE1 3.77Å; I707-F728 HydrophobicContact CD1-CE2 3.11Å; I707-F728 HydrophobicContact CD1-CG 4.03Å; I707-F728 HydrophobicContact CD1-CZ 3.26Å; I707-F728 HydrophobicContact CG2-CB 3.86Å; I707-F728 HydrophobicContact CG2-CD1 4.16Å; I707-F728 HydrophobicContact CG2-CD2 4.03Å; I707-F728 HydrophobicContact CG2-CG 3.77Å; I707-F733 HydrophobicContact CG2-CB 4.37Å; I707-R734 PolarHBondContact N-O 2.81Å; I707-V735 HydrophobicContact CG2-CB 4.42Å; I707-V735 HydrophobicContact CG2-CG1 4.37Å; I707-V735 HydrophobicContact CG2-CG2 3.81Å; I707-V735 CarbonylContact O-C 3.42Å; I707-V735 WeakPolarHBondContact O-CA 3.47Å; I707-F736 PolarHBondContact O-N 3.46Å; I707-A758 WeakPolarHBondContact CA-O 3.47Å; I707-A758 HydrophobicContact CG1-CB 4.5Å; I707-A758 WeakPolarHBondContact CG1-O 3.45Å; I707-I760 HydrophobicContact CD1-CG2 4.14Å
708A98.3Very high88.7Confident0 Ų046.3 Ų46.30%027%0.265CS..EExtended strand (participates in β ladder)trans-93.6135.9167.300000111.1F736 M747 T750 V751 A758 G759 I760A708-F736 CarbonylContact C-O 3.54Å; A708-F736 WeakPolarHBondContact CA-O 3.08Å; A708-F736 HydrophobicContact CB-CB 4.32Å; A708-M747 HydrophobicContact CB-CE 4.32Å; A708-M747 HydrophobicContact CB-SD 3.45Å; A708-M747 WeakPolarHBondContact CB-SD 3.41Å; A708-T750 HydrophobicContact CB-CG2 3.91Å; A708-V751 HydrophobicContact CB-CG2 4.06Å; A708-A758 PolarHBondContact N-O 2.97Å; A708-A758 VanDerWaalsContact N-O 3.15Å; A708-G759 CarbonylContact O-C 3.45Å; A708-G759 WeakPolarHBondContact O-CA 3.35Å; A708-I760 PolarHBondContact O-N 3.46Å
709V98.6Very high89.3Confident0 Ų045.8 Ų45.80%025%0.254CS..EExtended strand (participates in β ladder)trans-131.1121.8-179.1-1790000108.8I707 A721 A724 A725 V735 F736 F737 F738 I760I707-V709 HydrophobicContact CD1-CG2 4.46Å; I707-V709 HydrophobicContact CG1-CG2 4.46Å; I707-V709 HydrophobicContact CG2-CG2 4.29Å; V709-A721 HydrophobicContact CG1-CB 4.09Å; V709-A721 WeakPolarHBondContact CG1-O 3.25Å; V709-A724 HydrophobicContact CG1-CB 4.36Å; V709-A725 HydrophobicContact CB-CB 4.39Å; V709-A725 HydrophobicContact CG1-CB 4.14Å; V709-A725 HydrophobicContact CG2-CB 4.33Å; V709-V735 HydrophobicContact CB-CG1 4.21Å; V709-V735 HydrophobicContact CG2-CG1 3.72Å; V709-F736 PolarHBondContact N-O 2.78Å; V709-F737 HydrophobicContact CB-CD2 4.03Å; V709-F737 HydrophobicContact CG1-CD2 3.88Å; V709-F737 HydrophobicContact CG1-CE2 4.18Å; V709-F737 WeakPolarHBondContact O-CA 3.31Å; V709-F738 WeakPolarHBondContact O-CD2 3.42Å; V709-F738 PolarHBondContact O-N 2.97Å; V709-I760 WeakPolarHBondContact CA-O 3.39Å; V709-I760 HydrophobicContact CB-CG2 4.25Å; V709-I760 HydrophobicContact CG1-CG2 4.1Å; V709-I760 HydrophobicContact CG2-CG2 3.79Å
710G98.1Very high90.2Very high0 Ų043.6 Ų43.60%024%0.242CC..EExtended strand (participates in β ladder)trans-146.6173.1-175.100000111.2I760 M761 I762G710-I760 PolarHBondContact N-O 3.38Å; G710-M761 CarbonylContact O-C 3.53Å; G710-M761 WeakPolarHBondContact O-CA 3.46Å; G710-I762 PolarHBondContact O-N 2.76Å
711Y98.4Very high91.5Very high19 Ų1939.1 Ų39.18%0.07521%0.213CC..EExtended strand (participates in β ladder)trans-155.8154.8-172.664.6-85.2000112.2L718 A721 F737 F738 S739 K740 A741 I742 M761 I762Y711-L718 HydrophobicContact CD1-CD1 4.36Å; Y711-L718 HydrophobicContact CD2-CB 4.02Å; Y711-L718 HydrophobicContact CE1-CD1 3.66Å; Y711-L718 HydrophobicContact CE2-CB 3.75Å; Y711-L718 HydrophobicContact CE2-CD1 4.15Å; Y711-L718 HydrophobicContact CE2-CG 4.45Å; Y711-A721 HydrophobicContact CD1-CB 3.82Å; Y711-A721 HydrophobicContact CG-CB 4.11Å; Y711-F737 HydrophobicContact CE1-CZ 4.38Å; Y711-F738 WeakPolarHBondContact CE1-O 3.28Å; Y711-S739 PolarHBondContact OH-O 3.26Å; Y711-K740 VanDerWaalsContact OH-CA 3.3Å; Y711-K740 WeakPolarHBondContact OH-CA 3.23Å; Y711-A741 HydrophobicContact CD2-CB 3.98Å; Y711-A741 HydrophobicContact CE2-CB 3.73Å; Y711-A741 CarbonylContact O-C 3.53Å; Y711-A741 WeakPolarHBondContact O-CA 3.4Å; Y711-A741 WeakPolarHBondContact O-CB 3.31Å; Y711-A741 PolarHBondContact OH-N 2.67Å; Y711-I742 PolarHBondContact O-N 3.01Å; Y711-M761 PolarHBondContact N-SD 3.49Å; Y711-M761 VanDerWaalsContact N-SD 3.43Å; Y711-M761 WeakPolarHBondContact O-CE 3.29Å; Y711-I762 CarbonylContact C-O 3.19Å; Y711-I762 VanDerWaalsContact CA-O 3.28Å; Y711-I762 WeakPolarHBondContact CA-O 3.44Å
712D96.7Very high92.9Very high2 Ų238.4 Ų38.41%0.01120%0.204CC..  trans-94.8-166.1174.276-7.2000112R714 S717 M761 I762 T763 G764D712-R714 VanDerWaalsContact C-N 3.34Å; D712-R714 VanDerWaalsContact CG-CG 3.41Å; D712-R714 PolarHBondContact O-N 3.06Å; D712-R714 WeakPolarHBondContact OD1-CB 3.44Å; D712-R714 WeakPolarHBondContact OD1-CG 3.17Å; D712-R714 PolarHBondContact OD1-N 3.08Å; D712-R714 WeakPolarHBondContact OD2-CG 3.23Å; D712-R714 IonicContact OD2-NE 2.69Å; D712-S717 WeakPolarHBondContact O-CB 3.11Å; D712-S717 WeakPolarHBondContact OD1-CB 3.4Å; D712-S717 PolarHBondContact OD1-OG 2.81Å; D712-M761 HydrophobicContact CB-CE 4.05Å; D712-I762 PolarHBondContact N-O 3.39Å; D712-T763 VanDerWaalsContact OD2-CA 3.29Å; D712-T763 WeakPolarHBondContact OD2-CA 3.16Å; D712-T763 WeakPolarHBondContact OD2-CB 3.37Å; D712-T763 PolarHBondContact OD2-OG1 3.17Å; D712-G764 PolarHBondContact OD2-N 2.89Å
713C95.5Very high94.3Very high14 Ų1434.3 Ų34.310%0.09518%0.177CC..SBendtrans-82.14.3-178.666.40000115.7H856 V858 A886 P888C713-H856 PolarHBondContact SG-O 2.91Å; C713-H856 VanDerWaalsContact SG-O 3.34Å; C713-V858 HydrophobicContact CB-CG1 3.9Å; C713-A886 HydrophobicContact CB-CB 3.84Å; C713-P888 WeakPolarHBondContact O-CA 3.26Å; C713-P888 WeakPolarHBondContact O-CB 3.45Å; C713-P888 WeakPolarHBondContact O-CD 3.41Å
714R95.9Very high95.6Very high8 Ų826.2 Ų26.23%0.0314%0.139CC..SBendtrans-69.4160.2-172.9-57.1-91.5-178.1168.4-10.4112.6D712 N716 S717 G764 S765 D767 S768 Y771D712-R714 VanDerWaalsContact C-N 3.34Å; D712-R714 VanDerWaalsContact CG-CG 3.41Å; D712-R714 PolarHBondContact O-N 3.06Å; D712-R714 WeakPolarHBondContact OD1-CB 3.44Å; D712-R714 WeakPolarHBondContact OD1-CG 3.17Å; D712-R714 PolarHBondContact OD1-N 3.08Å; D712-R714 WeakPolarHBondContact OD2-CG 3.23Å; D712-R714 IonicContact OD2-NE 2.69Å; R714-N716 PolarHBondContact O-N 3.13Å; R714-S717 WeakPolarHBondContact CB-OG 3.26Å; R714-S717 VanDerWaalsContact O-CB 3.24Å; R714-S717 WeakPolarHBondContact O-CB 3.21Å; R714-S717 PolarHBondContact O-N 2.92Å; R714-G764 PolarHBondContact NH2-O 2.74Å; R714-S765 VanDerWaalsContact NH2-C 3.33Å; R714-S765 PolarHBondContact NH2-O 3.25Å; R714-D767 PolarHBondContact NH1-O 3.46Å; R714-D767 PolarHBondContact NH2-O 3.36Å; R714-S768 PolarHBondContact NH1-O 3.16Å; R714-Y771 PolarHBondContact NH1-O 3.11Å
715R94.8Very high96.7Very high115 Ų11522.8 Ų22.843%0.43410%0.104SC..THydrogen-bonded Turntrans-57.1134.7174.9-61.4-171.5-179.9176.7-7.4109.7M672 S717 N772 P888 D889M672-R715 HydrophobicContact CE-CB 3.96Å; M672-R715 HydrophobicContact CE-CG 4.39Å; M672-R715 HydrophobicContact SD-CB 3.9Å; R715-S717 PolarHBondContact O-N 2.76Å; R715-S717 VanDerWaalsContact O-N 3.12Å; R715-N772 PolarHBondContact O-ND2 2.83Å; R715-P888 HydrophobicContact CB-CB 4.49Å; R715-P888 HydrophobicContact CG-CB 3.65Å; R715-P888 HydrophobicContact CG-CG 4.23Å; R715-D889 IonicContact CZ-OD1 3.51Å; R715-D889 IonicContact NE-OD1 2.74Å; R715-D889 PolarHBondContact NE-OD1 2.88Å; R715-D889 IonicContact NH2-OD1 3.29Å; R715-D889 PolarHBondContact NH2-OD1 3.26Å; R715-D889 IonicContact NH2-OD2 3.42Å
716N96.3Very high97Very high92 Ų9221.6 Ų21.649%0.49210%0.1SC..THydrogen-bonded Turntrans633.4-177.3-53.7-39.2000115.7R714 L718 R719 F720R714-N716 PolarHBondContact O-N 3.13Å; N716-L718 PolarHBondContact O-N 3.35Å; N716-R719 PolarHBondContact O-N 2.9Å; N716-R719 VanDerWaalsContact O-N 3.08Å; N716-F720 HydrophobicContact CB-CD1 4.11Å; N716-F720 HydrophobicContact CB-CD2 4.27Å; N716-F720 HydrophobicContact CB-CE1 3.74Å; N716-F720 HydrophobicContact CB-CE2 3.93Å; N716-F720 HydrophobicContact CB-CG 4.36Å; N716-F720 HydrophobicContact CB-CZ 3.64Å; N716-F720 WeakPolarHBondContact O-CB 3.08Å; N716-F720 VanDerWaalsContact O-CG 3.24Å; N716-F720 WeakPolarHBondContact O-CG 3.32Å; N716-F720 PolarHBondContact O-N 3.32Å
717S97.9Very high97Very high1 Ų121.1 Ų21.11%0.00710%0.097CC..Hα-helixtrans-57.8-46.9-178.1-88.10000112.9D712 R714 R715 R719 F720 A721 N772D712-S717 WeakPolarHBondContact O-CB 3.11Å; D712-S717 WeakPolarHBondContact OD1-CB 3.4Å; D712-S717 PolarHBondContact OD1-OG 2.81Å; R714-S717 WeakPolarHBondContact CB-OG 3.26Å; R714-S717 VanDerWaalsContact O-CB 3.24Å; R714-S717 WeakPolarHBondContact O-CB 3.21Å; R714-S717 PolarHBondContact O-N 2.92Å; R715-S717 PolarHBondContact O-N 2.76Å; R715-S717 VanDerWaalsContact O-N 3.12Å; S717-R719 PolarHBondContact O-N 2.9Å; S717-F720 PolarHBondContact O-N 3.46Å; S717-A721 WeakPolarHBondContact O-CB 3.09Å; S717-A721 PolarHBondContact O-N 3.4Å; S717-N772 PolarHBondContact OG-ND2 2.9Å; S717-N772 PolarHBondContact OG-OD1 2.83Å
718L97.7Very high96.8Very high74 Ų7421.1 Ų21.139%0.38710%0.097SC..Hα-helixtrans-58.1-48.1173.217159.2000111.6Y711 N716 F720 A721 Q722 F737Y711-L718 HydrophobicContact CD1-CD1 4.36Å; Y711-L718 HydrophobicContact CD2-CB 4.02Å; Y711-L718 HydrophobicContact CE1-CD1 3.66Å; Y711-L718 HydrophobicContact CE2-CB 3.75Å; Y711-L718 HydrophobicContact CE2-CD1 4.15Å; Y711-L718 HydrophobicContact CE2-CG 4.45Å; N716-L718 PolarHBondContact O-N 3.35Å; L718-F720 PolarHBondContact O-N 3.16Å; L718-A721 PolarHBondContact O-N 3.07Å; L718-Q722 HydrophobicContact CD1-CG 3.99Å; L718-Q722 HydrophobicContact CG-CG 4.47Å; L718-Q722 VanDerWaalsContact O-CG 3.27Å; L718-Q722 WeakPolarHBondContact O-CG 3.15Å; L718-Q722 PolarHBondContact O-N 3Å; L718-F737 HydrophobicContact CD1-CZ 4.14Å
719R96.6Very high96.6Very high65 Ų6521.1 Ų21.125%0.24510%0.097CC..Hα-helixtrans-61-45.8-178.7177.557.2178.3165.54.8111.4E681 N716 S717 A721 Q722 L723 W807 V809E681-R719 WeakPolarHBondContact OE1-CG 3.31Å; E681-R719 IonicContact OE1-CZ 3.75Å; E681-R719 IonicContact OE1-NE 2.82Å; E681-R719 PolarHBondContact OE1-NE 3.06Å; E681-R719 IonicContact OE1-NH2 2.88Å; N716-R719 PolarHBondContact O-N 2.9Å; N716-R719 VanDerWaalsContact O-N 3.08Å; S717-R719 PolarHBondContact O-N 2.9Å; R719-A721 VanDerWaalsContact C-N 3.33Å; R719-A721 PolarHBondContact O-N 3.4Å; R719-Q722 PolarHBondContact O-N 2.88Å; R719-L723 HydrophobicContact CG-CD1 4.41Å; R719-L723 VanDerWaalsContact O-CG 3.31Å; R719-L723 WeakPolarHBondContact O-CG 3.46Å; R719-L723 PolarHBondContact O-N 2.77Å; R719-W807 PolarHBondContact NH2-O 2.82Å; R719-V809 VanDerWaalsContact NH1-CG1 3.27Å
720F98.1Very high96.1Very high2 Ų224.1 Ų24.11%0.00911%0.108CC..Hα-helixtrans-62.7-39.7176.9-69-8.5000111.9M679 E681 V684 N716 S717 L718 L723 A724 I762 N772M679-F720 HydrophobicContact CB-CE2 4.34Å; E681-F720 HydrophobicContact CG-CD1 4.37Å; E681-F720 HydrophobicContact CG-CE1 3.94Å; V684-F720 HydrophobicContact CB-CB 4.47Å; V684-F720 HydrophobicContact CB-CG 4.4Å; V684-F720 HydrophobicContact CG1-CB 4Å; V684-F720 HydrophobicContact CG1-CG 4.46Å; V684-F720 HydrophobicContact CG2-CB 3.99Å; V684-F720 HydrophobicContact CG2-CD1 4.03Å; V684-F720 HydrophobicContact CG2-CD2 3.76Å; V684-F720 HydrophobicContact CG2-CE1 4.46Å; V684-F720 HydrophobicContact CG2-CE2 4.2Å; V684-F720 HydrophobicContact CG2-CG 3.66Å; N716-F720 HydrophobicContact CB-CD1 4.11Å; N716-F720 HydrophobicContact CB-CD2 4.27Å; N716-F720 HydrophobicContact CB-CE1 3.74Å; N716-F720 HydrophobicContact CB-CE2 3.93Å; N716-F720 HydrophobicContact CB-CG 4.36Å; N716-F720 HydrophobicContact CB-CZ 3.64Å; N716-F720 WeakPolarHBondContact O-CB 3.08Å; N716-F720 VanDerWaalsContact O-CG 3.24Å; N716-F720 WeakPolarHBondContact O-CG 3.32Å; N716-F720 PolarHBondContact O-N 3.32Å; S717-F720 PolarHBondContact O-N 3.46Å; L718-F720 PolarHBondContact O-N 3.16Å; F720-L723 HydrophobicContact CD1-CD1 4.47Å; F720-L723 PolarHBondContact O-N 2.84Å; F720-A724 WeakPolarHBondContact O-CB 3.09Å; F720-A724 PolarHBondContact O-N 2.96Å; F720-I762 HydrophobicContact CB-CD1 4.39Å; F720-I762 HydrophobicContact CB-CG1 4.15Å; F720-I762 HydrophobicContact CB-CG2 3.82Å; F720-I762 HydrophobicContact CD2-CG2 4.06Å; F720-I762 HydrophobicContact CG-CG2 4.48Å; F720-N772 HydrophobicContact CE2-CB 4.38Å
721A98.3Very high95.6Very high0 Ų027.8 Ų27.80%012%0.124CC..Hα-helixtrans-67.4-38.5175.900000112.1V709 Y711 S717 L718 R719 A724 A725 F737 I762V709-A721 HydrophobicContact CG1-CB 4.09Å; V709-A721 WeakPolarHBondContact CG1-O 3.25Å; Y711-A721 HydrophobicContact CD1-CB 3.82Å; Y711-A721 HydrophobicContact CG-CB 4.11Å; S717-A721 WeakPolarHBondContact O-CB 3.09Å; S717-A721 PolarHBondContact O-N 3.4Å; L718-A721 PolarHBondContact O-N 3.07Å; R719-A721 VanDerWaalsContact C-N 3.33Å; R719-A721 PolarHBondContact O-N 3.4Å; A721-A724 PolarHBondContact O-N 2.94Å; A721-A725 WeakPolarHBondContact O-CB 3.46Å; A721-A725 PolarHBondContact O-N 2.78Å; A721-F737 HydrophobicContact CB-CE2 3.96Å; A721-I762 HydrophobicContact CB-CG1 3.83Å
722Q97.7Very high95.1Very high51 Ų5134.3 Ų34.324%0.23815%0.153CC..Hα-helixtrans-62.6-43.4173.9-68.9171.3-28.700111.6L718 R719 A724 A725 N726 F737 V809 L812L718-Q722 HydrophobicContact CD1-CG 3.99Å; L718-Q722 HydrophobicContact CG-CG 4.47Å; L718-Q722 VanDerWaalsContact O-CG 3.27Å; L718-Q722 WeakPolarHBondContact O-CG 3.15Å; L718-Q722 PolarHBondContact O-N 3Å; R719-Q722 PolarHBondContact O-N 2.88Å; Q722-A724 VanDerWaalsContact C-N 3.32Å; Q722-A724 PolarHBondContact O-N 2.85Å; Q722-A725 PolarHBondContact O-N 3.49Å; Q722-N726 VanDerWaalsContact O-CB 3.27Å; Q722-N726 WeakPolarHBondContact O-CB 3.38Å; Q722-N726 PolarHBondContact O-N 3.11Å; Q722-F737 HydrophobicContact CG-CE2 4.42Å; Q722-F737 HydrophobicContact CG-CZ 3.86Å; Q722-V809 HydrophobicContact CB-CB 4.35Å; Q722-V809 HydrophobicContact CB-CG1 3.84Å; Q722-L812 HydrophobicContact CB-CD2 3.99Å; Q722-L812 HydrophobicContact CG-CD2 3.78Å; Q722-L812 WeakPolarHBondContact O-CD1 3.37Å
723L97.4Very high94.9Very high0 Ų034.3 Ų34.30%015%0.152CC..Hα-helixtrans-61.2-42.6174.8-67.4171.2000111.3E681 I685 R719 F720 N726 I727 S806 V809E681-L723 HydrophobicContact CB-CD1 3.66Å; E681-L723 HydrophobicContact CG-CD1 3.69Å; I685-L723 HydrophobicContact CD1-CD1 4.43Å; I685-L723 HydrophobicContact CD1-CD2 4.35Å; I685-L723 HydrophobicContact CG1-CB 4.36Å; I685-L723 HydrophobicContact CG1-CD1 4.47Å; R719-L723 HydrophobicContact CG-CD1 4.41Å; R719-L723 VanDerWaalsContact O-CG 3.31Å; R719-L723 WeakPolarHBondContact O-CG 3.46Å; R719-L723 PolarHBondContact O-N 2.77Å; F720-L723 HydrophobicContact CD1-CD1 4.47Å; F720-L723 PolarHBondContact O-N 2.84Å; L723-N726 WeakPolarHBondContact O-CB 3.36Å; L723-N726 PolarHBondContact O-N 3.31Å; L723-I727 WeakPolarHBondContact O-CG1 3.09Å; L723-I727 PolarHBondContact O-N 2.66Å; L723-S806 WeakPolarHBondContact CD2-O 3.46Å; L723-V809 HydrophobicContact CD2-CG1 3.99Å
724A97.5Very high94.8Very high0 Ų039.3 Ų39.30%017%0.169CC..Hα-helixtrans-64.4-48.6178.100000112T688 V709 F720 A721 Q722 N726 I727 F728 I760T688-A724 HydrophobicContact CG2-CB 3.95Å; V709-A724 HydrophobicContact CG1-CB 4.36Å; F720-A724 WeakPolarHBondContact O-CB 3.09Å; F720-A724 PolarHBondContact O-N 2.96Å; A721-A724 PolarHBondContact O-N 2.94Å; Q722-A724 VanDerWaalsContact C-N 3.32Å; Q722-A724 PolarHBondContact O-N 2.85Å; A724-N726 VanDerWaalsContact C-N 3.32Å; A724-N726 PolarHBondContact O-N 2.94Å; A724-I727 PolarHBondContact O-N 2.86Å; A724-F728 VanDerWaalsContact O-CD2 3.26Å; A724-F728 WeakPolarHBondContact O-CD2 3.41Å; A724-F728 PolarHBondContact O-N 2.78Å; A724-I760 HydrophobicContact CB-CD1 4.43Å; A724-I760 HydrophobicContact CB-CG2 4.41Å
725A97Very high94.9Very high0 Ų039 Ų390%017%0.168CC..Hα-helixtrans-58.2-42.9176.100000112.1V709 A721 Q722 I727 F728 L729 V735 F737 L812V709-A725 HydrophobicContact CB-CB 4.39Å; V709-A725 HydrophobicContact CG1-CB 4.14Å; V709-A725 HydrophobicContact CG2-CB 4.33Å; A721-A725 WeakPolarHBondContact O-CB 3.46Å; A721-A725 PolarHBondContact O-N 2.78Å; Q722-A725 PolarHBondContact O-N 3.49Å; A725-I727 VanDerWaalsContact C-N 3.34Å; A725-I727 PolarHBondContact O-N 2.84Å; A725-F728 PolarHBondContact O-N 3.03Å; A725-L729 WeakPolarHBondContact O-CB 3.23Å; A725-L729 VanDerWaalsContact O-CG 3.3Å; A725-L729 WeakPolarHBondContact O-CG 3.47Å; A725-L729 PolarHBondContact O-N 3.29Å; A725-V735 HydrophobicContact CB-CG1 4.02Å; A725-F737 HydrophobicContact CB-CD2 3.64Å; A725-F737 HydrophobicContact CB-CE2 4.12Å; A725-F737 HydrophobicContact CB-CG 4.42Å; A725-L812 HydrophobicContact CB-CD1 4.21Å; A725-L812 HydrophobicContact CB-CG 4.41Å
726N95Very high95Very high0 Ų033.7 Ų33.70%015%0.148CC..Hα-helixtrans-56-46177.817451.4000112.2Q722 L723 A724 F728 L729 R730 D805 S806 D808 V809 A811 L812Q722-N726 VanDerWaalsContact O-CB 3.27Å; Q722-N726 WeakPolarHBondContact O-CB 3.38Å; Q722-N726 PolarHBondContact O-N 3.11Å; L723-N726 WeakPolarHBondContact O-CB 3.36Å; L723-N726 PolarHBondContact O-N 3.31Å; A724-N726 VanDerWaalsContact C-N 3.32Å; A724-N726 PolarHBondContact O-N 2.94Å; N726-F728 PolarHBondContact O-N 3.42Å; N726-L729 PolarHBondContact O-N 2.83Å; N726-R730 WeakPolarHBondContact O-CG 3.33Å; N726-R730 PolarHBondContact O-N 3.18Å; N726-R730 PolarHBondContact OD1-NE 2.8Å; N726-R730 PolarHBondContact OD1-NH2 3.48Å; N726-D805 PolarHBondContact ND2-O 2.84Å; N726-S806 PolarHBondContact ND2-O 2.97Å; N726-D808 PolarHBondContact ND2-O 3.16Å; N726-D808 PolarHBondContact OD1-O 3.1Å; N726-V809 HydrophobicContact CB-CG1 4.44Å; N726-A811 WeakPolarHBondContact OD1-CB 3.41Å; N726-L812 HydrophobicContact CB-CD1 3.91Å
727I93.5Very high95.1Very high1 Ų130.3 Ų30.31%0.00513%0.129CC..Hα-helixtrans-58.7-46.6179.6-71.7164.8000110.9I685 T688 Q689 C692 L723 A724 A725 R730 K731 W803I685-I727 HydrophobicContact CB-CD1 4.16Å; I685-I727 HydrophobicContact CG1-CD1 4.16Å; I685-I727 HydrophobicContact CG2-CD1 4.04Å; T688-I727 HydrophobicContact CG2-CB 3.95Å; T688-I727 HydrophobicContact CG2-CD1 4.01Å; T688-I727 HydrophobicContact CG2-CG2 3.85Å; Q689-I727 HydrophobicContact CG-CD1 4.16Å; Q689-I727 HydrophobicContact CG-CG2 4.12Å; C692-I727 HydrophobicContact CB-CG2 4.25Å; L723-I727 WeakPolarHBondContact O-CG1 3.09Å; L723-I727 PolarHBondContact O-N 2.66Å; A724-I727 PolarHBondContact O-N 2.86Å; A725-I727 VanDerWaalsContact C-N 3.34Å; A725-I727 PolarHBondContact O-N 2.84Å; I727-R730 PolarHBondContact O-N 3.22Å; I727-K731 PolarHBondContact O-N 2.88Å; I727-W803 HydrophobicContact CB-CZ3 4.28Å; I727-W803 HydrophobicContact CG2-CE3 4.15Å; I727-W803 HydrophobicContact CG2-CH2 3.75Å; I727-W803 HydrophobicContact CG2-CZ3 3.42Å; I727-W803 VanDerWaalsContact CG2-CZ3 3.42Å
728F94.2Very high95.1Very high0 Ų030.2 Ų30.20%013%0.129CC..Hα-helixtrans-68.9-42.1178.9-75-69.2000113.1T688 M691 C692 M695 I707 A724 A725 N726 R730 K731 K732 F733 V735T688-F728 HydrophobicContact CG2-CD2 3.78Å; T688-F728 HydrophobicContact CG2-CE2 3.26Å; T688-F728 HydrophobicContact CG2-CZ 3.95Å; M691-F728 HydrophobicContact CB-CZ 4.29Å; M691-F728 HydrophobicContact CE-CZ 4.14Å; M691-F728 HydrophobicContact CG-CZ 3.92Å; M691-F728 HydrophobicContact SD-CE2 4.29Å; M691-F728 HydrophobicContact SD-CZ 3.83Å; C692-F728 HydrophobicContact CB-CD1 4.1Å; C692-F728 HydrophobicContact CB-CE1 3.63Å; C692-F728 HydrophobicContact CB-CZ 4.17Å; M695-F728 HydrophobicContact SD-CE1 3.63Å; M695-F728 HydrophobicContact SD-CZ 3.95Å; I707-F728 HydrophobicContact CD1-CD1 4.13Å; I707-F728 HydrophobicContact CD1-CD2 3.53Å; I707-F728 HydrophobicContact CD1-CE1 3.77Å; I707-F728 HydrophobicContact CD1-CE2 3.11Å; I707-F728 HydrophobicContact CD1-CG 4.03Å; I707-F728 HydrophobicContact CD1-CZ 3.26Å; I707-F728 HydrophobicContact CG2-CB 3.86Å; I707-F728 HydrophobicContact CG2-CD1 4.16Å; I707-F728 HydrophobicContact CG2-CD2 4.03Å; I707-F728 HydrophobicContact CG2-CG 3.77Å; A724-F728 VanDerWaalsContact O-CD2 3.26Å; A724-F728 WeakPolarHBondContact O-CD2 3.41Å; A724-F728 PolarHBondContact O-N 2.78Å; A725-F728 PolarHBondContact O-N 3.03Å; N726-F728 PolarHBondContact O-N 3.42Å; F728-R730 VanDerWaalsContact C-N 3.28Å; F728-R730 PolarHBondContact O-N 3.36Å; F728-K731 CarbonylContact O-C 3.49Å; F728-K731 WeakPolarHBondContact O-CA 3.2Å; F728-K731 PolarHBondContact O-N 2.88Å; F728-K732 PolarHBondContact O-N 2.84Å; F728-F733 HydrophobicContact CB-CB 4Å; F728-F733 HydrophobicContact CB-CD2 4.5Å; F728-F733 HydrophobicContact CB-CG 4.3Å; F728-F733 HydrophobicContact CD1-CB 4.47Å; F728-F733 HydrophobicContact CD1-CD1 4.11Å; F728-F733 AromaticContact CD1-CD2 3.93Å; F728-F733 HydrophobicContact CD1-CD2 3.93Å; F728-F733 HydrophobicContact CD1-CE1 4.35Å; F728-F733 HydrophobicContact CD1-CE2 4.16Å; F728-F733 AromaticContact CD1-CG 3.91Å; F728-F733 HydrophobicContact CD1-CG 3.91Å; F728-F733 HydrophobicContact CD1-CZ 4.37Å; F728-F733 WeakPolarHBondContact O-CB 3.44Å; F728-F733 PolarHBondContact O-N 2.78Å; F728-V735 HydrophobicContact CB-CG2 3.8Å
729L92.5Very high94.9Very high0 Ų029.5 Ų29.50%013%0.13CC..Hα-helixtrans-59.4-39.2175.7-74165.5000111.7A725 N726 K731 K732 V735 A811 L812 L817 C818A725-L729 WeakPolarHBondContact O-CB 3.23Å; A725-L729 VanDerWaalsContact O-CG 3.3Å; A725-L729 WeakPolarHBondContact O-CG 3.47Å; A725-L729 PolarHBondContact O-N 3.29Å; N726-L729 PolarHBondContact O-N 2.83Å; L729-K731 PolarHBondContact O-N 3.4Å; L729-K732 PolarHBondContact O-N 3.01Å; L729-V735 HydrophobicContact CD2-CB 3.96Å; L729-V735 HydrophobicContact CD2-CG2 3.73Å; L729-V735 HydrophobicContact CG-CB 4.12Å; L729-V735 HydrophobicContact CG-CG2 3.64Å; L729-A811 HydrophobicContact CB-CB 4.06Å; L729-A811 HydrophobicContact CD1-CB 4.42Å; L729-L812 HydrophobicContact CD1-CD1 4.09Å; L729-L812 HydrophobicContact CD1-CG 4.15Å; L729-L817 HydrophobicContact CD2-CB 3.62Å; L729-C818 HydrophobicContact CD1-CB 4.13Å; L729-C818 HydrophobicContact CD2-CB 3.99Å
730R88.5Confident94.8Very high62 Ų6233 Ų3323%0.23415%0.147CC..Hα-helixtrans-67.2-24.7176.4-72.2-174.7-171.2-94.8-4.3113.1N726 I727 F728 K732 D805 D808 A811N726-R730 WeakPolarHBondContact O-CG 3.33Å; N726-R730 PolarHBondContact O-N 3.18Å; N726-R730 PolarHBondContact OD1-NE 2.8Å; N726-R730 PolarHBondContact OD1-NH2 3.48Å; I727-R730 PolarHBondContact O-N 3.22Å; F728-R730 VanDerWaalsContact C-N 3.28Å; F728-R730 PolarHBondContact O-N 3.36Å; R730-K732 VanDerWaalsContact C-N 3.32Å; R730-D805 IonicContact CZ-OD2 2.65Å; R730-D805 IonicContact NH1-OD2 3.84Å; R730-D805 PolarHBondContact NH1-OD2 3.44Å; R730-D808 IonicContact CZ-OD2 2.8Å; R730-D808 PolarHBondContact NH2-O 2.78Å; R730-D808 IonicContact NH2-OD2 3.45Å; R730-D808 PolarHBondContact NH2-OD2 3.41Å; R730-A811 HydrophobicContact CG-CB 4.28Å
731K87.4Confident94.8Very high78 Ų7834.3 Ų34.334%0.33916%0.158SC..THydrogen-bonded Turntrans-9417.2171.5-61.9-60.2-174.2-177.70113.6L696 I727 F728 L729 F733 W803L696-K731 HydrophobicContact CD1-CG 4.47Å; I727-K731 PolarHBondContact O-N 2.88Å; F728-K731 CarbonylContact O-C 3.49Å; F728-K731 WeakPolarHBondContact O-CA 3.2Å; F728-K731 PolarHBondContact O-N 2.88Å; L729-K731 PolarHBondContact O-N 3.4Å; K731-F733 VanDerWaalsContact C-N 3.25Å; K731-F733 HydrophobicContact CB-CD2 3.92Å; K731-F733 HydrophobicContact CB-CE2 4Å; K731-F733 PolarHBondContact O-N 2.85Å; K731-W803 HydrophobicContact CD-CH2 4.01Å; K731-W803 HydrophobicContact CD-CZ3 4.11Å; K731-W803 HydrophobicContact CG-CH2 3.58Å; K731-W803 HydrophobicContact CG-CZ3 3.66Å
732K88.8Confident94.8Very high156 Ų15634.3 Ų34.368%0.67816%0.158SC*.THydrogen-bonded Turntrans60.727.8176.1-55.2-173.8176.3-1740114.2F728 L729 R730F728-K732 PolarHBondContact O-N 2.84Å; L729-K732 PolarHBondContact O-N 3.01Å; R730-K732 VanDerWaalsContact C-N 3.32Å
733F92.5Very high94.8Very high1 Ų131.9 Ų31.90%0.00415%0.147CC..  trans-71.3143.6165.1-74.7-108.7000109M695 L696 R705 I707 F728 K731 V735M695-F733 HydrophobicContact CB-CE1 4.36Å; M695-F733 HydrophobicContact CB-CZ 4.15Å; M695-F733 HydrophobicContact CE-CD1 4.38Å; M695-F733 HydrophobicContact CE-CE1 3.75Å; L696-F733 HydrophobicContact CD2-CE2 3.76Å; L696-F733 HydrophobicContact CD2-CZ 3.95Å; L696-F733 HydrophobicContact CG-CE2 4.14Å; L696-F733 HydrophobicContact CG-CZ 4.22Å; R705-F733 HydrophobicContact CB-CD1 3.62Å; R705-F733 HydrophobicContact CB-CE1 3.74Å; R705-F733 HydrophobicContact CB-CG 4.12Å; R705-F733 HydrophobicContact CB-CZ 4.36Å; R705-F733 HydrophobicContact CG-CE1 4.27Å; I707-F733 HydrophobicContact CG2-CB 4.37Å; F728-F733 HydrophobicContact CB-CB 4Å; F728-F733 HydrophobicContact CB-CD2 4.5Å; F728-F733 HydrophobicContact CB-CG 4.3Å; F728-F733 HydrophobicContact CD1-CB 4.47Å; F728-F733 HydrophobicContact CD1-CD1 4.11Å; F728-F733 AromaticContact CD1-CD2 3.93Å; F728-F733 HydrophobicContact CD1-CD2 3.93Å; F728-F733 HydrophobicContact CD1-CE1 4.35Å; F728-F733 HydrophobicContact CD1-CE2 4.16Å; F728-F733 AromaticContact CD1-CG 3.91Å; F728-F733 HydrophobicContact CD1-CG 3.91Å; F728-F733 HydrophobicContact CD1-CZ 4.37Å; F728-F733 WeakPolarHBondContact O-CB 3.44Å; F728-F733 PolarHBondContact O-N 2.78Å; K731-F733 VanDerWaalsContact C-N 3.25Å; K731-F733 HydrophobicContact CB-CD2 3.92Å; K731-F733 HydrophobicContact CB-CE2 4Å; K731-F733 PolarHBondContact O-N 2.85Å; F733-V735 HydrophobicContact CB-CG2 4.38Å
734R94.1Very high94.8Very high120 Ų12031.9 Ų31.945%0.45315%0.147SC..EExtended strand (participates in β ladder)trans-71.4123.8159.7-174.7178.3-177.1175.81.3108R705 S706 I707 L817R705-R734 PolarHBondContact O-N 2.89Å; S706-R734 CarbonylContact C-O 3.29Å; S706-R734 WeakPolarHBondContact CA-O 3.11Å; I707-R734 PolarHBondContact N-O 2.81Å; R734-L817 CarbonylContact C-O 3.56Å
735V97.1Very high94.8Very high0 Ų031.9 Ų31.90%015%0.147CC..EExtended strand (participates in β ladder)trans-111.1121.6-177.6-177.90000109.6I707 V709 A725 F728 L729 F733 F737 L817 C818 V819I707-V735 HydrophobicContact CG2-CB 4.42Å; I707-V735 HydrophobicContact CG2-CG1 4.37Å; I707-V735 HydrophobicContact CG2-CG2 3.81Å; I707-V735 CarbonylContact O-C 3.42Å; I707-V735 WeakPolarHBondContact O-CA 3.47Å; V709-V735 HydrophobicContact CB-CG1 4.21Å; V709-V735 HydrophobicContact CG2-CG1 3.72Å; A725-V735 HydrophobicContact CB-CG1 4.02Å; F728-V735 HydrophobicContact CB-CG2 3.8Å; L729-V735 HydrophobicContact CD2-CB 3.96Å; L729-V735 HydrophobicContact CD2-CG2 3.73Å; L729-V735 HydrophobicContact CG-CB 4.12Å; L729-V735 HydrophobicContact CG-CG2 3.64Å; F733-V735 HydrophobicContact CB-CG2 4.38Å; V735-F737 HydrophobicContact CG1-CB 4.06Å; V735-F737 PolarHBondContact O-N 2.7Å; V735-L817 PolarHBondContact N-O 2.98Å; V735-C818 WeakPolarHBondContact O-CA 3.37Å; V735-V819 PolarHBondContact O-N 2.8Å
736F97.7Very high94.8Very high5 Ų531.9 Ų31.92%0.02215%0.147CC..EExtended strand (participates in β ladder)trans-89.291.4166.7-63.1-80.6000108.1I707 A708 V709 Y754 C756 V819 P821I707-F736 PolarHBondContact O-N 3.46Å; A708-F736 CarbonylContact C-O 3.54Å; A708-F736 WeakPolarHBondContact CA-O 3.08Å; A708-F736 HydrophobicContact CB-CB 4.32Å; V709-F736 PolarHBondContact N-O 2.78Å; F736-Y754 HydrophobicContact CD1-CD1 4.15Å; F736-Y754 HydrophobicContact CD1-CE1 4.24Å; F736-Y754 HydrophobicContact CD1-CG 4.35Å; F736-Y754 AromaticContact CE1-CD1 3.41Å; F736-Y754 HydrophobicContact CE1-CD1 3.41Å; F736-Y754 VanDerWaalsContact CE1-CD1 3.41Å; F736-Y754 AromaticContact CE1-CE1 3.58Å; F736-Y754 HydrophobicContact CE1-CE1 3.58Å; F736-Y754 AromaticContact CE1-CG 3.98Å; F736-Y754 HydrophobicContact CE1-CG 3.98Å; F736-Y754 HydrophobicContact CE2-CD1 4.17Å; F736-Y754 HydrophobicContact CE2-CG 4.21Å; F736-Y754 AromaticContact CZ-CD1 3.41Å; F736-Y754 HydrophobicContact CZ-CD1 3.41Å; F736-Y754 VanDerWaalsContact CZ-CD1 3.41Å; F736-Y754 HydrophobicContact CZ-CE1 4.06Å; F736-Y754 AromaticContact CZ-CG 3.9Å; F736-Y754 HydrophobicContact CZ-CG 3.9Å; F736-C756 VanDerWaalsContact CD2-SG 3.53Å; F736-V819 CarbonylContact C-O 3.47Å; F736-V819 VanDerWaalsContact CA-O 3.25Å; F736-V819 WeakPolarHBondContact CA-O 3.43Å; F736-V819 HydrophobicContact CD1-CB 4.31Å; F736-P821 HydrophobicContact CB-CB 4.43Å; F736-P821 HydrophobicContact CB-CG 4.04Å; F736-P821 HydrophobicContact CD1-CB 4.23Å
737F97.7Very high94.9Very high20 Ų2031.9 Ų31.99%0.08815%0.147CC..EExtended strand (participates in β ladder)trans-100.3116.7-175.1-179.9-99000110.1V709 Y711 L718 A721 Q722 A725 V735 S739 L812 V819 D820V709-F737 HydrophobicContact CB-CD2 4.03Å; V709-F737 HydrophobicContact CG1-CD2 3.88Å; V709-F737 HydrophobicContact CG1-CE2 4.18Å; V709-F737 WeakPolarHBondContact O-CA 3.31Å; Y711-F737 HydrophobicContact CE1-CZ 4.38Å; L718-F737 HydrophobicContact CD1-CZ 4.14Å; A721-F737 HydrophobicContact CB-CE2 3.96Å; Q722-F737 HydrophobicContact CG-CE2 4.42Å; Q722-F737 HydrophobicContact CG-CZ 3.86Å; A725-F737 HydrophobicContact CB-CD2 3.64Å; A725-F737 HydrophobicContact CB-CE2 4.12Å; A725-F737 HydrophobicContact CB-CG 4.42Å; V735-F737 HydrophobicContact CG1-CB 4.06Å; V735-F737 PolarHBondContact O-N 2.7Å; F737-S739 PolarHBondContact O-N 3.32Å; F737-L812 HydrophobicContact CD1-CD2 4.41Å; F737-L812 HydrophobicContact CE1-CD2 4.12Å; F737-L812 HydrophobicContact CE2-CD2 4.39Å; F737-L812 HydrophobicContact CZ-CD2 4.12Å; F737-V819 PolarHBondContact N-O 2.88Å; F737-D820 WeakPolarHBondContact O-CA 3.31Å
738F97.6Very high95.1Very high0 Ų031.9 Ų31.90%015%0.146CC..  trans-68.8125.3177.2-74.6-87000111.1V709 Y711 K740 I742 I746 M747 T750 P821 L822 I825V709-F738 WeakPolarHBondContact O-CD2 3.42Å; V709-F738 PolarHBondContact O-N 2.97Å; Y711-F738 WeakPolarHBondContact CE1-O 3.28Å; F738-K740 VanDerWaalsContact C-N 3.28Å; F738-K740 PolarHBondContact O-N 3.25Å; F738-I742 HydrophobicContact CB-CG1 4.43Å; F738-I742 HydrophobicContact CB-CG2 4.4Å; F738-I742 HydrophobicContact CD1-CB 4.47Å; F738-I742 HydrophobicContact CD1-CD1 3.8Å; F738-I742 HydrophobicContact CD1-CG1 4.23Å; F738-I742 HydrophobicContact CD1-CG2 3.57Å; F738-I742 HydrophobicContact CD2-CD1 3.48Å; F738-I742 VanDerWaalsContact CD2-CD1 3.48Å; F738-I742 HydrophobicContact CD2-CG1 4.26Å; F738-I742 HydrophobicContact CE1-CD1 3.75Å; F738-I742 HydrophobicContact CE1-CG2 4.03Å; F738-I742 HydrophobicContact CE2-CD1 3.46Å; F738-I742 VanDerWaalsContact CE2-CD1 3.46Å; F738-I742 HydrophobicContact CG-CD1 3.65Å; F738-I742 HydrophobicContact CG-CG1 4.04Å; F738-I742 HydrophobicContact CG-CG2 4.1Å; F738-I742 HydrophobicContact CZ-CD1 3.58Å; F738-I746 HydrophobicContact CE1-CG2 4.29Å; F738-I746 HydrophobicContact CZ-CG2 4.29Å; F738-M747 HydrophobicContact CD2-CE 3.89Å; F738-M747 HydrophobicContact CE2-CE 3.81Å; F738-M747 HydrophobicContact CE2-SD 4.48Å; F738-T750 HydrophobicContact CE2-CG2 4.1Å; F738-T750 HydrophobicContact CZ-CG2 3.98Å; F738-T750 VanDerWaalsContact CZ-OG1 3.28Å; F738-T750 WeakPolarHBondContact CZ-OG1 3.34Å; F738-P821 HydrophobicContact CD1-CG 4.04Å; F738-P821 HydrophobicContact CD2-CG 4.2Å; F738-P821 HydrophobicContact CE1-CG 3.64Å; F738-P821 HydrophobicContact CE2-CG 3.79Å; F738-P821 HydrophobicContact CG-CG 4.32Å; F738-P821 HydrophobicContact CZ-CG 3.48Å; F738-P821 VanDerWaalsContact CZ-CG 3.48Å; F738-L822 HydrophobicContact CD1-CB 4.08Å; F738-L822 HydrophobicContact CD1-CD1 4Å; F738-L822 HydrophobicContact CE1-CB 4.4Å; F738-L822 HydrophobicContact CE1-CD1 4.18Å; F738-I825 HydrophobicContact CE1-CG2 3.76Å; F738-I825 HydrophobicContact CZ-CG2 3.98Å
739S93Very high95.3Very high58 Ų5832 Ų3241%0.40615%0.147SC..SBendtrans-72.4-22.717864.70000113.4Y711 F737 D820Y711-S739 PolarHBondContact OH-O 3.26Å; F737-S739 PolarHBondContact O-N 3.32Å; S739-D820 WeakPolarHBondContact CB-OD2 3.34Å; S739-D820 PolarHBondContact N-OD1 3.47Å; S739-D820 PolarHBondContact OG-OD2 2.84Å
740K96Very high95.6Very high139 Ų13932 Ų3260%0.60415%0.147SC*.SBendtrans-122.6159.9179.7-62.5179.9-175.3170.80110.7Y711 F738 L822Y711-K740 VanDerWaalsContact OH-CA 3.3Å; Y711-K740 WeakPolarHBondContact OH-CA 3.23Å; F738-K740 VanDerWaalsContact C-N 3.28Å; F738-K740 PolarHBondContact O-N 3.25Å; K740-L822 HydrophobicContact CB-CD2 4.03Å; K740-L822 HydrophobicContact CD-CD2 3.99Å; K740-L822 HydrophobicContact CG-CD2 4.21Å
741A97.5Very high96Very high30 Ų3029.1 Ų29.125%0.24814%0.136CC..  trans-65.1139.8174.500000110.6Y711 V858Y711-A741 HydrophobicContact CD2-CB 3.98Å; Y711-A741 HydrophobicContact CE2-CB 3.73Å; Y711-A741 CarbonylContact O-C 3.53Å; Y711-A741 WeakPolarHBondContact O-CA 3.4Å; Y711-A741 WeakPolarHBondContact O-CB 3.31Å; Y711-A741 PolarHBondContact OH-N 2.67Å; A741-V858 HydrophobicContact CB-CG1 3.63Å
742I98Very high96.4Very high0 Ų028.5 Ų28.50%014%0.136CC..  trans-135.2158.1-173.855152.7000112.1Y711 F738 I746 M747 M761 L822 V858 F862Y711-I742 PolarHBondContact O-N 3.01Å; F738-I742 HydrophobicContact CB-CG1 4.43Å; F738-I742 HydrophobicContact CB-CG2 4.4Å; F738-I742 HydrophobicContact CD1-CB 4.47Å; F738-I742 HydrophobicContact CD1-CD1 3.8Å; F738-I742 HydrophobicContact CD1-CG1 4.23Å; F738-I742 HydrophobicContact CD1-CG2 3.57Å; F738-I742 HydrophobicContact CD2-CD1 3.48Å; F738-I742 VanDerWaalsContact CD2-CD1 3.48Å; F738-I742 HydrophobicContact CD2-CG1 4.26Å; F738-I742 HydrophobicContact CE1-CD1 3.75Å; F738-I742 HydrophobicContact CE1-CG2 4.03Å; F738-I742 HydrophobicContact CE2-CD1 3.46Å; F738-I742 VanDerWaalsContact CE2-CD1 3.46Å; F738-I742 HydrophobicContact CG-CD1 3.65Å; F738-I742 HydrophobicContact CG-CG1 4.04Å; F738-I742 HydrophobicContact CG-CG2 4.1Å; F738-I742 HydrophobicContact CZ-CD1 3.58Å; I742-I746 HydrophobicContact CD1-CB 4.31Å; I742-I746 HydrophobicContact CD1-CG2 4.16Å; I742-M747 HydrophobicContact CD1-CB 4.28Å; I742-M747 HydrophobicContact CD1-CE 4.15Å; I742-M761 HydrophobicContact CD1-SD 4.49Å; I742-M761 HydrophobicContact CG1-CE 4.31Å; I742-M761 HydrophobicContact CG1-SD 4.29Å; I742-M761 WeakPolarHBondContact O-CE 3.31Å; I742-L822 HydrophobicContact CG2-CD1 3.69Å; I742-V858 WeakPolarHBondContact O-CG2 3.1Å; I742-F862 HydrophobicContact CG2-CZ 4.1Å
743P97.9Very high96.7Very high0 Ų026 Ų260%012%0.122CC..  trans-64.4151.2169.4-25.936.1000113.7P745 I746 M747 V858 F862 E926 A927 I1041P743-P745 HydrophobicContact CB-CG 3.98Å; P743-I746 HydrophobicContact CB-CG1 4.03Å; P743-I746 HydrophobicContact CG-CG1 4.15Å; P743-I746 WeakPolarHBondContact O-CB 3.32Å; P743-I746 PolarHBondContact O-N 3.34Å; P743-M747 PolarHBondContact O-N 3.38Å; P743-V858 HydrophobicContact CG-CG2 4.11Å; P743-F862 VanDerWaalsContact CD-CD2 3.49Å; P743-F862 HydrophobicContact CG-CD2 3.62Å; P743-F862 HydrophobicContact CG-CE2 3.97Å; P743-F862 HydrophobicContact CG-CG 4.07Å; P743-E926 WeakPolarHBondContact CA-O 3.4Å; P743-E926 WeakPolarHBondContact CB-O 3.08Å; P743-A927 HydrophobicContact CB-CB 4.11Å; P743-A927 HydrophobicContact CG-CB 4.23Å; P743-I1041 HydrophobicContact CB-CD1 3.7Å; P743-I1041 HydrophobicContact CG-CD1 3.68Å
744S96.9Very high96.8Very high0 Ų029 Ų290%013%0.134CC..Hα-helixtrans-61.5-37.9174.563.10000114.6I746 M747 S748 E926 D928S744-I746 VanDerWaalsContact C-N 3.26Å; S744-I746 PolarHBondContact O-N 3.48Å; S744-M747 WeakPolarHBondContact O-CB 3.38Å; S744-M747 PolarHBondContact O-N 3.1Å; S744-M747 VanDerWaalsContact O-N 3.07Å; S744-S748 PolarHBondContact O-N 3.21Å; S744-S748 VanDerWaalsContact O-N 3.1Å; S744-E926 PolarHBondContact N-O 2.87Å; S744-E926 VanDerWaalsContact N-O 3.1Å; S744-D928 WeakPolarHBondContact OG-CB 3.49Å; S744-D928 PolarHBondContact OG-OD2 2.79Å
745P97.2Very high96.8Very high0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-62.6-31.3174.721.9-35.2000113.2P743 M747 S748 Y749 A1035 D1039 I1041P743-P745 HydrophobicContact CB-CG 3.98Å; P745-M747 VanDerWaalsContact C-N 3.34Å; P745-S748 PolarHBondContact O-N 3.25Å; P745-Y749 WeakPolarHBondContact O-CB 3.39Å; P745-Y749 PolarHBondContact O-N 3.14Å; P745-A1035 HydrophobicContact CB-CB 3.92Å; P745-D1039 HydrophobicContact CB-CB 3.92Å; P745-D1039 HydrophobicContact CG-CB 4.42Å; P745-I1041 HydrophobicContact CG-CD1 3.93Å
746I97.8Very high96.7Very high0 Ų028.3 Ų28.30%014%0.139CC..Hα-helixtrans-65.7-39.6174.7-57.2-61000110.3F738 I742 P743 S744 Y749 T750 I825 Y829 F862 I1041F738-I746 HydrophobicContact CE1-CG2 4.29Å; F738-I746 HydrophobicContact CZ-CG2 4.29Å; I742-I746 HydrophobicContact CD1-CB 4.31Å; I742-I746 HydrophobicContact CD1-CG2 4.16Å; P743-I746 HydrophobicContact CB-CG1 4.03Å; P743-I746 HydrophobicContact CG-CG1 4.15Å; P743-I746 WeakPolarHBondContact O-CB 3.32Å; P743-I746 PolarHBondContact O-N 3.34Å; S744-I746 VanDerWaalsContact C-N 3.26Å; S744-I746 PolarHBondContact O-N 3.48Å; I746-Y749 PolarHBondContact O-N 3.2Å; I746-T750 WeakPolarHBondContact O-CB 3.08Å; I746-T750 PolarHBondContact O-N 3Å; I746-T750 PolarHBondContact O-OG1 3.12Å; I746-I825 HydrophobicContact CG2-CG2 4.05Å; I746-Y829 HydrophobicContact CD1-CD1 3.44Å; I746-Y829 VanDerWaalsContact CD1-CD1 3.44Å; I746-Y829 HydrophobicContact CD1-CD2 3.67Å; I746-Y829 HydrophobicContact CD1-CE1 3.55Å; I746-Y829 HydrophobicContact CD1-CE2 3.78Å; I746-Y829 HydrophobicContact CD1-CG 3.47Å; I746-Y829 VanDerWaalsContact CD1-CG 3.47Å; I746-F862 HydrophobicContact CD1-CD1 3.69Å; I746-F862 HydrophobicContact CD1-CE1 3.8Å; I746-F862 HydrophobicContact CG1-CD1 3.85Å; I746-F862 HydrophobicContact CG1-CE1 3.69Å; I746-F862 HydrophobicContact CG1-CZ 4.24Å; I746-F862 HydrophobicContact CG2-CE1 4.34Å; I746-I1041 HydrophobicContact CD1-CD1 4.42Å; I746-I1041 HydrophobicContact CG1-CD1 4.37Å
747M97.9Very high96.6Very high0 Ų029.3 Ų29.30%015%0.145CC..Hα-helixtrans-60.4-50.5173.4177.757.665.300111.4A708 F738 I742 P743 S744 P745 Y749 T750 V751 M761 Y777A708-M747 HydrophobicContact CB-CE 4.32Å; A708-M747 HydrophobicContact CB-SD 3.45Å; A708-M747 WeakPolarHBondContact CB-SD 3.41Å; F738-M747 HydrophobicContact CD2-CE 3.89Å; F738-M747 HydrophobicContact CE2-CE 3.81Å; F738-M747 HydrophobicContact CE2-SD 4.48Å; I742-M747 HydrophobicContact CD1-CB 4.28Å; I742-M747 HydrophobicContact CD1-CE 4.15Å; P743-M747 PolarHBondContact O-N 3.38Å; S744-M747 WeakPolarHBondContact O-CB 3.38Å; S744-M747 PolarHBondContact O-N 3.1Å; S744-M747 VanDerWaalsContact O-N 3.07Å; P745-M747 VanDerWaalsContact C-N 3.34Å; M747-Y749 VanDerWaalsContact C-N 3.31Å; M747-Y749 PolarHBondContact O-N 3.12Å; M747-T750 WeakPolarHBondContact O-CB 3.34Å; M747-T750 PolarHBondContact O-N 3.05Å; M747-T750 VanDerWaalsContact O-N 3.16Å; M747-V751 WeakPolarHBondContact O-CG2 3.07Å; M747-V751 PolarHBondContact O-N 3.31Å; M747-V751 VanDerWaalsContact O-N 3.11Å; M747-V751 HydrophobicContact SD-CG2 4.34Å; M747-M761 HydrophobicContact CB-CB 4.4Å; M747-M761 HydrophobicContact CB-SD 4.25Å; M747-M761 HydrophobicContact CE-SD 4.28Å; M747-M761 HydrophobicContact CG-CB 4.09Å; M747-Y777 HydrophobicContact CB-CE2 4.14Å; M747-Y777 HydrophobicContact CG-CD2 3.64Å; M747-Y777 HydrophobicContact CG-CE2 3.64Å
748S97.4Very high96.5Very high0 Ų028.3 Ų28.30%014%0.14CC..Hα-helixtrans-54.8-48.2177.7173.50000111.5S744 P745 T750 V751 I752 G781 M1036S744-S748 PolarHBondContact O-N 3.21Å; S744-S748 VanDerWaalsContact O-N 3.1Å; P745-S748 PolarHBondContact O-N 3.25Å; S748-T750 PolarHBondContact O-N 3.37Å; S748-V751 PolarHBondContact O-N 3.33Å; S748-I752 PolarHBondContact O-N 3.41Å; S748-G781 WeakPolarHBondContact CB-O 3.47Å; S748-G781 PolarHBondContact OG-O 2.8Å; S748-M1036 WeakPolarHBondContact OG-CA 3.33Å; S748-M1036 PolarHBondContact OG-N 3.32Å
749Y97.6Very high96.5Very high4 Ų428.3 Ų28.32%0.01614%0.14CC..Hα-helixtrans-63-39.5177.9179.6-113.7000112.7P745 I746 M747 V751 I752 R753 I825 R828 Y829 E832 I1034P745-Y749 WeakPolarHBondContact O-CB 3.39Å; P745-Y749 PolarHBondContact O-N 3.14Å; I746-Y749 PolarHBondContact O-N 3.2Å; M747-Y749 VanDerWaalsContact C-N 3.31Å; M747-Y749 PolarHBondContact O-N 3.12Å; Y749-V751 VanDerWaalsContact C-N 3.35Å; Y749-V751 PolarHBondContact O-N 2.82Å; Y749-I752 PolarHBondContact O-N 2.86Å; Y749-R753 HydrophobicContact CE1-CB 4.35Å; Y749-R753 HydrophobicContact CE1-CG 4.46Å; Y749-R753 HydrophobicContact CE2-CB 4.43Å; Y749-R753 WeakPolarHBondContact O-CB 3.24Å; Y749-R753 PolarHBondContact O-N 3.42Å; Y749-I825 HydrophobicContact CD1-CD1 3.51Å; Y749-I825 HydrophobicContact CD1-CG1 3.66Å; Y749-I825 HydrophobicContact CE1-CD1 3.41Å; Y749-I825 VanDerWaalsContact CE1-CD1 3.41Å; Y749-I825 HydrophobicContact CE1-CG1 3.88Å; Y749-R828 HydrophobicContact CE1-CB 4.13Å; Y749-R828 WeakPolarHBondContact OH-CB 3.25Å; Y749-Y829 AromaticContact CD1-CD2 3.9Å; Y749-Y829 HydrophobicContact CD1-CD2 3.9Å; Y749-Y829 HydrophobicContact CD1-CG 4.33Å; Y749-Y829 HydrophobicContact CE1-CD2 4.46Å; Y749-Y829 HydrophobicContact CG-CD2 4.04Å; Y749-E832 VanDerWaalsContact CE2-OE2 3.27Å; Y749-E832 WeakPolarHBondContact CE2-OE2 3.19Å; Y749-E832 PolarHBondContact OH-OE1 2.82Å; Y749-E832 PolarHBondContact OH-OE2 2.81Å; Y749-I1034 HydrophobicContact CD2-CB 4.16Å; Y749-I1034 HydrophobicContact CD2-CD1 3.71Å; Y749-I1034 HydrophobicContact CD2-CG1 3.62Å; Y749-I1034 HydrophobicContact CE1-CD1 4.43Å; Y749-I1034 HydrophobicContact CE2-CB 4.14Å; Y749-I1034 HydrophobicContact CE2-CD1 3.39Å; Y749-I1034 HydrophobicContact CE2-CG1 3.75Å; Y749-I1034 HydrophobicContact CG-CD1 4.35Å; Y749-I1034 HydrophobicContact CG-CG1 4.37Å
750T98.3Very high96.8Very high0 Ų025.6 Ų25.60%012%0.121CC..Hα-helixtrans-58.4-46.2176.7-55.40000111.6A708 F738 I746 M747 S748 I752 R753 Y754 P821 I825A708-T750 HydrophobicContact CB-CG2 3.91Å; F738-T750 HydrophobicContact CE2-CG2 4.1Å; F738-T750 HydrophobicContact CZ-CG2 3.98Å; F738-T750 VanDerWaalsContact CZ-OG1 3.28Å; F738-T750 WeakPolarHBondContact CZ-OG1 3.34Å; I746-T750 WeakPolarHBondContact O-CB 3.08Å; I746-T750 PolarHBondContact O-N 3Å; I746-T750 PolarHBondContact O-OG1 3.12Å; M747-T750 WeakPolarHBondContact O-CB 3.34Å; M747-T750 PolarHBondContact O-N 3.05Å; M747-T750 VanDerWaalsContact O-N 3.16Å; S748-T750 PolarHBondContact O-N 3.37Å; T750-I752 VanDerWaalsContact C-N 3.28Å; T750-I752 PolarHBondContact O-N 2.62Å; T750-R753 PolarHBondContact O-N 3.02Å; T750-Y754 HydrophobicContact CG2-CD2 3.76Å; T750-Y754 HydrophobicContact CG2-CE2 4.33Å; T750-Y754 WeakPolarHBondContact O-CB 3.43Å; T750-Y754 PolarHBondContact O-N 3.37Å; T750-P821 HydrophobicContact CG2-CG 4.33Å; T750-I825 WeakPolarHBondContact OG1-CG1 3.49Å
751V97.8Very high96.9Very high0 Ų019 Ų190%09%0.093CC..Hα-helixtrans-58.8-42.4179.9172.40000111A708 M747 S748 Y749 N755 C756 W778A708-V751 HydrophobicContact CB-CG2 4.06Å; M747-V751 WeakPolarHBondContact O-CG2 3.07Å; M747-V751 PolarHBondContact O-N 3.31Å; M747-V751 VanDerWaalsContact O-N 3.11Å; M747-V751 HydrophobicContact SD-CG2 4.34Å; S748-V751 PolarHBondContact O-N 3.33Å; Y749-V751 VanDerWaalsContact C-N 3.35Å; Y749-V751 PolarHBondContact O-N 2.82Å; V751-N755 CarbonylContact O-C 3.49Å; V751-N755 WeakPolarHBondContact O-CA 3.48Å; V751-N755 PolarHBondContact O-N 3.28Å; V751-N755 VanDerWaalsContact O-N 3.16Å; V751-C756 HydrophobicContact CB-CB 4.45Å; V751-C756 HydrophobicContact CG1-CB 4.17Å; V751-C756 PolarHBondContact O-N 2.76Å; V751-W778 WeakPolarHBondContact CG1-O 3.21Å
752I95.7Very high96.9Very high65 Ų6517.6 Ų17.633%0.3338%0.081SC..Hα-helixtrans-68.2-51.3177.7-61.1164.9000110.3S748 Y749 T750 Y754 N755 M1036S748-I752 PolarHBondContact O-N 3.41Å; Y749-I752 PolarHBondContact O-N 2.86Å; T750-I752 VanDerWaalsContact C-N 3.28Å; T750-I752 PolarHBondContact O-N 2.62Å; I752-Y754 PolarHBondContact O-N 3.22Å; I752-N755 PolarHBondContact O-N 2.91Å; I752-N755 VanDerWaalsContact O-N 3.09Å; I752-M1036 HydrophobicContact CD1-CB 3.98Å; I752-M1036 HydrophobicContact CD1-CG 3.4Å
753R95.4Very high96.9Very high105 Ų10517.6 Ų17.640%0.3968%0.081SC..Hα-helixtrans-69.9-35.1-168.7-170.763.5-169.983.1-12113.2Y749 T750 I825Y749-R753 HydrophobicContact CE1-CB 4.35Å; Y749-R753 HydrophobicContact CE1-CG 4.46Å; Y749-R753 HydrophobicContact CE2-CB 4.43Å; Y749-R753 WeakPolarHBondContact O-CB 3.24Å; Y749-R753 PolarHBondContact O-N 3.42Å; T750-R753 PolarHBondContact O-N 3.02Å; R753-I825 HydrophobicContact CB-CD1 3.65Å; R753-I825 HydrophobicContact CG-CD1 3.86Å
754Y95.1Very high96.6Very high64 Ų6417.6 Ų17.625%0.2518%0.081SC..THydrogen-bonded Turntrans-90.1-0.7174.2-77.3-80000113.2F736 T750 I752 C756 P821 D824 I825F736-Y754 HydrophobicContact CD1-CD1 4.15Å; F736-Y754 HydrophobicContact CD1-CE1 4.24Å; F736-Y754 HydrophobicContact CD1-CG 4.35Å; F736-Y754 AromaticContact CE1-CD1 3.41Å; F736-Y754 HydrophobicContact CE1-CD1 3.41Å; F736-Y754 VanDerWaalsContact CE1-CD1 3.41Å; F736-Y754 AromaticContact CE1-CE1 3.58Å; F736-Y754 HydrophobicContact CE1-CE1 3.58Å; F736-Y754 AromaticContact CE1-CG 3.98Å; F736-Y754 HydrophobicContact CE1-CG 3.98Å; F736-Y754 HydrophobicContact CE2-CD1 4.17Å; F736-Y754 HydrophobicContact CE2-CG 4.21Å; F736-Y754 AromaticContact CZ-CD1 3.41Å; F736-Y754 HydrophobicContact CZ-CD1 3.41Å; F736-Y754 VanDerWaalsContact CZ-CD1 3.41Å; F736-Y754 HydrophobicContact CZ-CE1 4.06Å; F736-Y754 AromaticContact CZ-CG 3.9Å; F736-Y754 HydrophobicContact CZ-CG 3.9Å; T750-Y754 HydrophobicContact CG2-CD2 3.76Å; T750-Y754 HydrophobicContact CG2-CE2 4.33Å; T750-Y754 WeakPolarHBondContact O-CB 3.43Å; T750-Y754 PolarHBondContact O-N 3.37Å; I752-Y754 PolarHBondContact O-N 3.22Å; Y754-C756 PolarHBondContact O-N 2.81Å; Y754-P821 HydrophobicContact CE2-CB 3.77Å; Y754-D824 PolarHBondContact OH-OD2 3.27Å; Y754-I825 HydrophobicContact CD2-CD1 4.16Å; Y754-I825 HydrophobicContact CE2-CB 4.33Å; Y754-I825 HydrophobicContact CE2-CD1 3.93Å
755N93.2Very high96.3Very high104 Ų10417.9 Ų17.956%0.5568%0.083SC*.THydrogen-bonded Turntrans50.745.3-176.2-176.752.7000111.6V751 I752V751-N755 CarbonylContact O-C 3.49Å; V751-N755 WeakPolarHBondContact O-CA 3.48Å; V751-N755 PolarHBondContact O-N 3.28Å; V751-N755 VanDerWaalsContact O-N 3.16Å; I752-N755 PolarHBondContact O-N 2.91Å; I752-N755 VanDerWaalsContact O-N 3.09Å
756C95.6Very high95.9Very high0 Ų019.7 Ų19.70%09%0.091CC..  trans-65.9149.3176.6-60.80000110.3S706 F736 V751 Y754 A758 R779S706-C756 WeakPolarHBondContact OG-CA 3.35Å; F736-C756 VanDerWaalsContact CD2-SG 3.53Å; V751-C756 HydrophobicContact CB-CB 4.45Å; V751-C756 HydrophobicContact CG1-CB 4.17Å; V751-C756 PolarHBondContact O-N 2.76Å; Y754-C756 PolarHBondContact O-N 2.81Å; C756-A758 VanDerWaalsContact CB-O 3.31Å; C756-A758 WeakPolarHBondContact CB-O 3.5Å; C756-A758 PolarHBondContact O-N 2.73Å; C756-R779 VanDerWaalsContact O-CA 3.3Å; C756-R779 WeakPolarHBondContact O-CA 3.37Å; C756-R779 WeakPolarHBondContact O-CB 3.43Å
757D94.8Very high95.5Very high26 Ų2620.2 Ų20.214%0.1399%0.094CC..SBendtrans-66.2-30.1173.1-64.6-83000111.4M695 N699 R705 S706 R779M695-D757 HydrophobicContact CE-CB 3.61Å; N699-D757 PolarHBondContact ND2-OD1 2.87Å; R705-D757 VanDerWaalsContact CA-OD2 3.23Å; R705-D757 WeakPolarHBondContact CA-OD2 3.13Å; S706-D757 PolarHBondContact N-OD2 3.35Å; S706-D757 WeakPolarHBondContact O-CB 3.24Å; S706-D757 PolarHBondContact O-N 2.73Å; D757-R779 WeakPolarHBondContact O-CA 3.5Å; D757-R779 WeakPolarHBondContact O-CB 3.08Å; D757-R779 PolarHBondContact O-N 3.05Å; D757-R779 VanDerWaalsContact O-N 3.13Å
758A96.6Very high95Very high0 Ų021.2 Ų21.20%010%0.101CC..EExtended strand (participates in β ladder)trans-161.3178175.500000111.5M691 M695 I707 A708 C756 Y777 W778M691-A758 HydrophobicContact CE-CB 3.41Å; M691-A758 VanDerWaalsContact CE-CB 3.41Å; M695-A758 HydrophobicContact CE-CB 3.5Å; M695-A758 VanDerWaalsContact CE-CB 3.5Å; M695-A758 HydrophobicContact SD-CB 3.86Å; I707-A758 WeakPolarHBondContact CA-O 3.47Å; I707-A758 HydrophobicContact CG1-CB 4.5Å; I707-A758 WeakPolarHBondContact CG1-O 3.45Å; A708-A758 PolarHBondContact N-O 2.97Å; A708-A758 VanDerWaalsContact N-O 3.15Å; C756-A758 VanDerWaalsContact CB-O 3.31Å; C756-A758 WeakPolarHBondContact CB-O 3.5Å; C756-A758 PolarHBondContact O-N 2.73Å; A758-Y777 CarbonylContact C-O 3.58Å; A758-Y777 WeakPolarHBondContact CA-O 3.18Å; A758-Y777 VanDerWaalsContact CB-O 3.28Å; A758-Y777 WeakPolarHBondContact CB-O 3.39Å; A758-W778 HydrophobicContact CB-CE3 4.17Å; A758-W778 HydrophobicContact CB-CZ3 4.35Å
759G98Very high94.8Very high0 Ų026 Ų260%012%0.122CC..EExtended strand (participates in β ladder)trans-141153.5165.200000112A708 I776 Y777A708-G759 CarbonylContact O-C 3.45Å; A708-G759 WeakPolarHBondContact O-CA 3.35Å; G759-I776 CarbonylContact O-C 3.58Å; G759-I776 WeakPolarHBondContact O-CA 3.47Å; G759-Y777 PolarHBondContact N-O 3.05Å; G759-Y777 PolarHBondContact O-N 3.27Å
760I98.3Very high94.5Very high1 Ų128.6 Ų28.61%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-129.4122.4172.1-176.5169.8000109.6M691 I707 A708 V709 G710 A724 I762 C774 I776M691-I760 HydrophobicContact SD-CB 4.38Å; I707-I760 HydrophobicContact CD1-CG2 4.14Å; A708-I760 PolarHBondContact O-N 3.46Å; V709-I760 WeakPolarHBondContact CA-O 3.39Å; V709-I760 HydrophobicContact CB-CG2 4.25Å; V709-I760 HydrophobicContact CG1-CG2 4.1Å; V709-I760 HydrophobicContact CG2-CG2 3.79Å; G710-I760 PolarHBondContact N-O 3.38Å; A724-I760 HydrophobicContact CB-CD1 4.43Å; A724-I760 HydrophobicContact CB-CG2 4.41Å; I760-I762 HydrophobicContact CD1-CD1 4.11Å; I760-I762 HydrophobicContact CG1-CD1 4.1Å; I760-C774 HydrophobicContact CD1-CB 4.22Å; I760-C774 HydrophobicContact CG1-CB 4.06Å; I760-I776 HydrophobicContact CG1-CG1 4.3Å
761M98Very high94.2Very high0 Ų031.3 Ų31.30%015%0.151CC..EExtended strand (participates in β ladder)trans-107.5119.3175.4-175.361-174.200108.4G710 Y711 D712 I742 M747 T763 C774 K775 Y777G710-M761 CarbonylContact O-C 3.53Å; G710-M761 WeakPolarHBondContact O-CA 3.46Å; Y711-M761 PolarHBondContact N-SD 3.49Å; Y711-M761 VanDerWaalsContact N-SD 3.43Å; Y711-M761 WeakPolarHBondContact O-CE 3.29Å; D712-M761 HydrophobicContact CB-CE 4.05Å; I742-M761 HydrophobicContact CD1-SD 4.49Å; I742-M761 HydrophobicContact CG1-CE 4.31Å; I742-M761 HydrophobicContact CG1-SD 4.29Å; I742-M761 WeakPolarHBondContact O-CE 3.31Å; M747-M761 HydrophobicContact CB-CB 4.4Å; M747-M761 HydrophobicContact CB-SD 4.25Å; M747-M761 HydrophobicContact CE-SD 4.28Å; M747-M761 HydrophobicContact CG-CB 4.09Å; M761-T763 HydrophobicContact CB-CG2 4.25Å; M761-T763 HydrophobicContact CG-CG2 3.73Å; M761-T763 WeakPolarHBondContact O-CG2 3.14Å; M761-C774 CarbonylContact O-C 3.35Å; M761-C774 WeakPolarHBondContact O-CA 3.34Å; M761-C774 WeakPolarHBondContact O-CB 2.9Å; M761-K775 HydrophobicContact CB-CB 4.33Å; M761-K775 PolarHBondContact N-O 3.46Å; M761-K775 PolarHBondContact O-N 2.83Å; M761-Y777 HydrophobicContact CB-CE2 3.95Å
762I98.4Very high94.1Very high0 Ų031.3 Ų31.30%015%0.151CC..EExtended strand (participates in β ladder)trans-83.3118.9172.5-52.6-55000108.8G710 Y711 D712 F720 A721 I760 G773 C774G710-I762 PolarHBondContact O-N 2.76Å; Y711-I762 CarbonylContact C-O 3.19Å; Y711-I762 VanDerWaalsContact CA-O 3.28Å; Y711-I762 WeakPolarHBondContact CA-O 3.44Å; D712-I762 PolarHBondContact N-O 3.39Å; F720-I762 HydrophobicContact CB-CD1 4.39Å; F720-I762 HydrophobicContact CB-CG1 4.15Å; F720-I762 HydrophobicContact CB-CG2 3.82Å; F720-I762 HydrophobicContact CD2-CG2 4.06Å; F720-I762 HydrophobicContact CG-CG2 4.48Å; A721-I762 HydrophobicContact CB-CG1 3.83Å; I760-I762 HydrophobicContact CD1-CD1 4.11Å; I760-I762 HydrophobicContact CG1-CD1 4.1Å; I762-G773 WeakPolarHBondContact CA-O 3.47Å; I762-G773 WeakPolarHBondContact CG2-O 3.46Å; I762-C774 HydrophobicContact CD1-CB 3.91Å
763T96.6Very high94.1Very high0 Ų028.2 Ų28.20%014%0.135CC..  trans-163144.3-170.8162.10000111.6K669 D712 M761 S765 G773 K775 E926K669-T763 WeakPolarHBondContact CD-O 3.02Å; K669-T763 VanDerWaalsContact NZ-C 3.25Å; K669-T763 VanDerWaalsContact NZ-CG2 3.35Å; K669-T763 PolarHBondContact NZ-O 3.32Å; K669-T763 PolarHBondContact NZ-OG1 2.9Å; D712-T763 VanDerWaalsContact OD2-CA 3.29Å; D712-T763 WeakPolarHBondContact OD2-CA 3.16Å; D712-T763 WeakPolarHBondContact OD2-CB 3.37Å; D712-T763 PolarHBondContact OD2-OG1 3.17Å; M761-T763 HydrophobicContact CB-CG2 4.25Å; M761-T763 HydrophobicContact CG-CG2 3.73Å; M761-T763 WeakPolarHBondContact O-CG2 3.14Å; T763-S765 PolarHBondContact OG1-N 3.3Å; T763-G773 PolarHBondContact N-O 3.49Å; T763-G773 CarbonylContact O-C 3.35Å; T763-G773 VanDerWaalsContact O-CA 3.22Å; T763-G773 WeakPolarHBondContact O-CA 3.06Å; T763-G773 PolarHBondContact O-N 2.9Å; T763-G773 VanDerWaalsContact O-N 3.08Å; T763-K775 HydrophobicContact CG2-CB 4.38Å; T763-K775 HydrophobicContact CG2-CD 4.41Å; T763-K775 HydrophobicContact CG2-CG 3.92Å; T763-E926 VanDerWaalsContact CB-OE2 3.3Å; T763-E926 WeakPolarHBondContact CB-OE2 3.45Å; T763-E926 VanDerWaalsContact CG2-OE2 3.28Å; T763-E926 WeakPolarHBondContact CG2-OE2 3.34Å; T763-E926 VanDerWaalsContact OG1-CD 3.26Å; T763-E926 PolarHBondContact OG1-OE2 3.39Å
764G92.6Very high94.2Very high0 Ų023.4 Ų23.40%012%0.118CC..  trans-97.40.8166.900000113.7D712 R714 H766 D767D712-G764 PolarHBondContact OD2-N 2.89Å; R714-G764 PolarHBondContact NH2-O 2.74Å; G764-H766 PolarHBondContact O-N 2.9Å; G764-D767 WeakPolarHBondContact O-CB 3.42Å; G764-D767 PolarHBondContact O-N 2.93Å
765S90.7Very high94.2Very high7 Ų720.5 Ų20.55%0.04911%0.106CC..THydrogen-bonded Turntrans57.3-125.5-175.7-167.30000112.7R714 T763 E926R714-S765 VanDerWaalsContact NH2-C 3.33Å; R714-S765 PolarHBondContact NH2-O 3.25Å; T763-S765 PolarHBondContact OG1-N 3.3Å; S765-E926 WeakPolarHBondContact CA-OE1 3.35Å; S765-E926 WeakPolarHBondContact CB-OE1 3.46Å; S765-E926 PolarHBondContact OG-OE1 3.11Å
766H88.8Confident94.4Very high38 Ų3815.6 Ų15.618%0.1768%0.08CC..THydrogen-bonded Turntrans-97.94174.754.5-82.7000113.7G764 D897 D924 H929G764-H766 PolarHBondContact O-N 2.9Å; H766-D897 HydrophobicContact CB-CB 4.1Å; H766-D897 IonicContact CD2-OD1 3.33Å; H766-D897 IonicContact CD2-OD2 2.95Å; H766-D924 HydrophobicContact CB-CB 4.45Å; H766-H929 AromaticContact CE1-CE1 3.42Å; H766-H929 PolarHBondContact CE1-CE1 3.32Å; H766-H929 VanDerWaalsContact CE1-CE1 3.42Å; H766-H929 AromaticContact ND1-CE1 3.51Å; H766-H929 AromaticContact ND1-ND1 3.79Å
767D88.6Confident94.5Very high10 Ų1015.6 Ų15.65%0.0538%0.08CC..SBendtrans-61166.1179.1-73.6-43.4000111.7R714 G764 Y771 P896R714-D767 PolarHBondContact NH1-O 3.46Å; R714-D767 PolarHBondContact NH2-O 3.36Å; G764-D767 WeakPolarHBondContact O-CB 3.42Å; G764-D767 PolarHBondContact O-N 2.93Å; D767-Y771 HydrophobicContact CB-CD1 4.33Å; D767-Y771 HydrophobicContact CB-CG 3.96Å; D767-P896 WeakPolarHBondContact O-CD 3.43Å
768S88.4Confident94.5Very high21 Ų2115.8 Ų15.815%0.1478%0.079CC..  trans-59.3159.6176.872.30000113.3R714 S770 Y771R714-S768 PolarHBondContact NH1-O 3.16Å; S768-S770 PolarHBondContact O-N 2.93Å; S768-S770 PolarHBondContact OG-OG 3.15Å; S768-Y771 PolarHBondContact O-N 3.28Å; S768-Y771 WeakPolarHBondContact OG-CD2 3.49Å
769K91.8Very high94.4Very high101 Ų10122.3 Ų22.344%0.43910%0.104SC..THydrogen-bonded Turntrans-55-17.7-179.967.9-173.6174.8-170.60115.9M672 Y771 D889 F890M672-K769 WeakPolarHBondContact CE-O 3.39Å; K769-Y771 VanDerWaalsContact C-N 3.27Å; K769-D889 WeakPolarHBondContact CD-O 3.5Å; K769-F890 HydrophobicContact CB-CD2 3.93Å; K769-F890 HydrophobicContact CB-CE2 4.31Å
770S91.2Very high94.1Very high58 Ų5824 Ų2441%0.40611%0.113SC..THydrogen-bonded Turntrans-80.8-5.3176.660.50000113.3P671 M672 S768P671-S770 CarbonylContact C-O 3.59Å; P671-S770 WeakPolarHBondContact CA-O 3.37Å; M672-S770 WeakPolarHBondContact CB-O 3.24Å; M672-S770 PolarHBondContact N-O 2.89Å; S768-S770 PolarHBondContact O-N 2.93Å; S768-S770 PolarHBondContact OG-OG 3.15Å
771Y93.2Very high94Very high58 Ų5824 Ų2423%0.22711%0.112CC..EExtended strand (participates in β ladder)trans-104.5148179.8-77.6-115000111.9A670 P671 R714 D767 S768 K769 T1162A670-Y771 VanDerWaalsContact C-CD1 3.4Å; P671-Y771 HydrophobicContact CB-CD2 4.37Å; P671-Y771 HydrophobicContact CB-CE1 4.36Å; P671-Y771 HydrophobicContact CB-CE2 4.05Å; P671-Y771 HydrophobicContact CG-CE1 4.33Å; R714-Y771 PolarHBondContact NH1-O 3.11Å; D767-Y771 HydrophobicContact CB-CD1 4.33Å; D767-Y771 HydrophobicContact CB-CG 3.96Å; S768-Y771 PolarHBondContact O-N 3.28Å; S768-Y771 WeakPolarHBondContact OG-CD2 3.49Å; K769-Y771 VanDerWaalsContact C-N 3.27Å; Y771-T1162 HydrophobicContact CE1-CG2 4.46Å
772N95.7Very high93.9Very high0 Ų024.1 Ų24.10%011%0.113CC..EExtended strand (participates in β ladder)trans-140.7-173.5163.1-157.2-21.7000107.6A670 M672 M679 R715 S717 F720A670-N772 PolarHBondContact N-O 2.99Å; A670-N772 VanDerWaalsContact N-O 3.07Å; A670-N772 PolarHBondContact O-N 2.85Å; A670-N772 VanDerWaalsContact O-O 3.04Å; M672-N772 HydrophobicContact CG-CB 3.9Å; M672-N772 HydrophobicContact SD-CB 4.06Å; M679-N772 HydrophobicContact CB-CB 4.33Å; M679-N772 HydrophobicContact CG-CB 4.44Å; M679-N772 VanDerWaalsContact CG-O 3.25Å; M679-N772 WeakPolarHBondContact CG-O 3.27Å; R715-N772 PolarHBondContact O-ND2 2.83Å; S717-N772 PolarHBondContact OG-ND2 2.9Å; S717-N772 PolarHBondContact OG-OD1 2.83Å; F720-N772 HydrophobicContact CE2-CB 4.38Å
773G95.9Very high93.7Very high0 Ų024.3 Ų24.30%011%0.114CC..EExtended strand (participates in β ladder)trans169.8-162.1-177.200000112.6I668 I762 T763I668-G773 CarbonylContact O-C 3.55Å; I668-G773 WeakPolarHBondContact O-CA 2.87Å; I762-G773 WeakPolarHBondContact CA-O 3.47Å; I762-G773 WeakPolarHBondContact CG2-O 3.46Å; T763-G773 PolarHBondContact N-O 3.49Å; T763-G773 CarbonylContact O-C 3.35Å; T763-G773 VanDerWaalsContact O-CA 3.22Å; T763-G773 WeakPolarHBondContact O-CA 3.06Å; T763-G773 PolarHBondContact O-N 2.9Å; T763-G773 VanDerWaalsContact O-N 3.08Å
774C96.6Very high93.5Very high3 Ų324.4 Ų24.42%0.0212%0.115CC..EExtended strand (participates in β ladder)trans-146.8144.2169.761.60000112.7G667 I668 I760 M761 I762G667-C774 CarbonylContact C-O 3.48Å; G667-C774 VanDerWaalsContact CA-O 3.3Å; G667-C774 WeakPolarHBondContact CA-O 3.29Å; I668-C774 PolarHBondContact N-O 2.83Å; I668-C774 PolarHBondContact O-N 3.29Å; I760-C774 HydrophobicContact CD1-CB 4.22Å; I760-C774 HydrophobicContact CG1-CB 4.06Å; M761-C774 CarbonylContact O-C 3.35Å; M761-C774 WeakPolarHBondContact O-CA 3.34Å; M761-C774 WeakPolarHBondContact O-CB 2.9Å; I762-C774 HydrophobicContact CD1-CB 3.91Å
775K95.9Very high93.1Very high4 Ų425 Ų252%0.01712%0.119CC..EExtended strand (participates in β ladder)trans-98.4137.2160.4-63.3-174.3-170.3-170.80108S666 M761 T763 Y777 E926 D928S666-K775 WeakPolarHBondContact OG-CE 3.49Å; S666-K775 PolarHBondContact OG-NZ 3.33Å; M761-K775 HydrophobicContact CB-CB 4.33Å; M761-K775 PolarHBondContact N-O 3.46Å; M761-K775 PolarHBondContact O-N 2.83Å; T763-K775 HydrophobicContact CG2-CB 4.38Å; T763-K775 HydrophobicContact CG2-CD 4.41Å; T763-K775 HydrophobicContact CG2-CG 3.92Å; K775-Y777 HydrophobicContact CB-CE2 3.96Å; K775-Y777 WeakPolarHBondContact CD-OH 3.44Å; K775-E926 WeakPolarHBondContact CE-OE1 3.1Å; K775-E926 IonicContact NZ-OE1 3.29Å; K775-E926 PolarHBondContact NZ-OE1 2.9Å; K775-E926 IonicContact NZ-OE2 3.5Å; K775-D928 IonicContact NZ-OD2 2.8Å; K775-D928 PolarHBondContact NZ-OD2 2.78Å
776I97.2Very high92.6Very high0 Ų027.2 Ų27.20%013%0.132CC..EExtended strand (participates in β ladder)trans-117.7128178.5-57-174.9000107.4F663 I687 M691 G759 I760 E783 V784 I792F663-I776 HydrophobicContact CE1-CD1 4.31Å; F663-I776 HydrophobicContact CZ-CD1 3.93Å; I687-I776 HydrophobicContact CG2-CD1 4.14Å; M691-I776 HydrophobicContact CE-CG2 3.63Å; M691-I776 HydrophobicContact SD-CD1 3.94Å; M691-I776 HydrophobicContact SD-CG1 4.45Å; M691-I776 HydrophobicContact SD-CG2 3.81Å; G759-I776 CarbonylContact O-C 3.58Å; G759-I776 WeakPolarHBondContact O-CA 3.47Å; I760-I776 HydrophobicContact CG1-CG1 4.3Å; I776-E783 CarbonylContact O-C 3.57Å; I776-E783 VanDerWaalsContact O-CA 3.31Å; I776-E783 WeakPolarHBondContact O-CA 3.29Å; I776-V784 HydrophobicContact CB-CG1 4.24Å; I776-V784 HydrophobicContact CB-CG2 3.82Å; I776-V784 HydrophobicContact CG2-CG1 3.77Å; I776-V784 HydrophobicContact CG2-CG2 4.19Å; I776-V784 PolarHBondContact O-N 3.01Å; I776-I792 HydrophobicContact CD1-CD1 4.28Å; I776-I792 HydrophobicContact CG2-CD1 4.21Å
777Y97.2Very high92.4Very high0 Ų028.7 Ų28.70%015%0.145CC..EExtended strand (participates in β ladder)trans-107.6139178.8-58.3-86000109.6M747 A758 G759 M761 K775 G781 V782 E783 D1037M747-Y777 HydrophobicContact CB-CE2 4.14Å; M747-Y777 HydrophobicContact CG-CD2 3.64Å; M747-Y777 HydrophobicContact CG-CE2 3.64Å; A758-Y777 CarbonylContact C-O 3.58Å; A758-Y777 WeakPolarHBondContact CA-O 3.18Å; A758-Y777 VanDerWaalsContact CB-O 3.28Å; A758-Y777 WeakPolarHBondContact CB-O 3.39Å; G759-Y777 PolarHBondContact N-O 3.05Å; G759-Y777 PolarHBondContact O-N 3.27Å; M761-Y777 HydrophobicContact CB-CE2 3.95Å; K775-Y777 HydrophobicContact CB-CE2 3.96Å; K775-Y777 WeakPolarHBondContact CD-OH 3.44Å; Y777-G781 WeakPolarHBondContact CD1-O 3.42Å; Y777-V782 CarbonylContact C-O 3.14Å; Y777-V782 WeakPolarHBondContact CA-O 3.27Å; Y777-E783 HydrophobicContact CD1-CB 4.37Å; Y777-E783 HydrophobicContact CE1-CB 4.34Å; Y777-D1037 HydrophobicContact CE1-CB 4.09Å; Y777-D1037 WeakPolarHBondContact CE1-OD2 3.39Å; Y777-D1037 PolarHBondContact OH-OD2 3.02Å
778W95.3Very high92.5Very high30 Ų3030.2 Ų30.211%0.11415%0.152CC..EExtended strand (participates in β ladder)trans-87.5176.6171.8-158.2-122000111.2Y694 M695 V698 V751 A758 N780 G781 V782 V784 H788Y694-W778 HydrophobicContact CD1-CH2 4.45Å; Y694-W778 HydrophobicContact CE1-CH2 4.1Å; Y694-W778 HydrophobicContact CE1-CZ3 4.32Å; M695-W778 HydrophobicContact CG-CH2 4.16Å; M695-W778 HydrophobicContact CG-CZ3 3.99Å; V698-W778 HydrophobicContact CG1-CZ2 4.1Å; V751-W778 WeakPolarHBondContact CG1-O 3.21Å; A758-W778 HydrophobicContact CB-CE3 4.17Å; A758-W778 HydrophobicContact CB-CZ3 4.35Å; W778-N780 PolarHBondContact O-N 2.9Å; W778-G781 PolarHBondContact O-N 2.87Å; W778-V782 PolarHBondContact N-O 3.13Å; W778-V784 HydrophobicContact CB-CG1 4.17Å; W778-V784 HydrophobicContact CE3-CG1 4.41Å; W778-H788 AromaticContact CD1-NE2 3.55Å; W778-H788 AromaticContact CE2-CE1 3.48Å; W778-H788 VanDerWaalsContact CE2-CE1 3.48Å; W778-H788 AromaticContact CE2-ND1 3.83Å; W778-H788 AromaticContact CE2-NE2 3.81Å; W778-H788 AromaticContact CG-NE2 3.99Å; W778-H788 AromaticContact CZ2-CE1 3.75Å; W778-H788 AromaticContact CZ2-ND1 3.91Å; W778-H788 AromaticContact NE1-CE1 3.46Å; W778-H788 PolarHBondContact NE1-CE1 2.94Å; W778-H788 AromaticContact NE1-NE2 3.43Å; W778-H788 PolarHBondContact NE1-NE2 3.21Å
779R93.5Very high92.5Very high138 Ų13829.6 Ų29.652%0.52115%0.147SC..THydrogen-bonded Turntrans-53.5-16.7-175.571.5179-61.5176.55.1117.1C756 D757 G781C756-R779 VanDerWaalsContact O-CA 3.3Å; C756-R779 WeakPolarHBondContact O-CA 3.37Å; C756-R779 WeakPolarHBondContact O-CB 3.43Å; D757-R779 WeakPolarHBondContact O-CA 3.5Å; D757-R779 WeakPolarHBondContact O-CB 3.08Å; D757-R779 PolarHBondContact O-N 3.05Å; D757-R779 VanDerWaalsContact O-N 3.13Å; R779-G781 VanDerWaalsContact C-N 3.34Å
780N93Very high92.2Very high36 Ų3630.6 Ų30.619%0.19315%0.148CC..THydrogen-bonded Turntrans-92.18.1175.861.6-12.7000113W778 V782 N1011W778-N780 PolarHBondContact O-N 2.9Å; N780-V782 HydrophobicContact CB-CG2 4.44Å; N780-V782 WeakPolarHBondContact ND2-CG2 3.36Å; N780-V782 PolarHBondContact O-N 2.93Å; N780-V782 WeakPolarHBondContact OD1-CB 3.48Å; N780-V782 PolarHBondContact OD1-N 3.14Å; N780-N1011 PolarHBondContact ND2-ND2 3.07Å
781G95Very high92Very high0 Ų030 Ų300%014%0.14CC..SBendtrans71.34.3-176.200000114.6S748 Y777 W778 R779S748-G781 WeakPolarHBondContact CB-O 3.47Å; S748-G781 PolarHBondContact OG-O 2.8Å; Y777-G781 WeakPolarHBondContact CD1-O 3.42Å; W778-G781 PolarHBondContact O-N 2.87Å; R779-G781 VanDerWaalsContact C-N 3.34Å
782V95.4Very high91.9Very high3 Ų327.3 Ų27.32%0.01813%0.13CC..PPolyproline II helixtrans-89.6140.3180-179.80000109.6Y777 W778 N780 V784 A1007 N1008 N1011 M1036Y777-V782 CarbonylContact C-O 3.14Å; Y777-V782 WeakPolarHBondContact CA-O 3.27Å; W778-V782 PolarHBondContact N-O 3.13Å; N780-V782 HydrophobicContact CB-CG2 4.44Å; N780-V782 WeakPolarHBondContact ND2-CG2 3.36Å; N780-V782 PolarHBondContact O-N 2.93Å; N780-V782 WeakPolarHBondContact OD1-CB 3.48Å; N780-V782 PolarHBondContact OD1-N 3.14Å; V782-V784 PolarHBondContact O-N 3.06Å; V782-A1007 HydrophobicContact CB-CB 4.47Å; V782-A1007 HydrophobicContact CG1-CB 3.86Å; V782-A1007 HydrophobicContact CG2-CB 4.06Å; V782-N1008 HydrophobicContact CG1-CB 4.01Å; V782-N1011 HydrophobicContact CG2-CB 4.19Å; V782-M1036 HydrophobicContact CG2-CB 3.9Å; V782-M1036 HydrophobicContact CG2-CE 3.9Å
783E94.5Very high91.6Very high4 Ų428.1 Ų28.12%0.01913%0.134CC..BIsolated β-bridgetrans-56135.3173-165.4-162.6121.600110.7S666 G667 I776 Y777 S785 K1004S666-E783 VanDerWaalsContact CA-OE1 3.32Å; S666-E783 WeakPolarHBondContact CA-OE1 3.46Å; S666-E783 VanDerWaalsContact CA-OE2 3.3Å; S666-E783 WeakPolarHBondContact CA-OE2 3.19Å; S666-E783 PolarHBondContact OG-OE2 3.42Å; G667-E783 PolarHBondContact N-OE1 3.37Å; I776-E783 CarbonylContact O-C 3.57Å; I776-E783 VanDerWaalsContact O-CA 3.31Å; I776-E783 WeakPolarHBondContact O-CA 3.29Å; Y777-E783 HydrophobicContact CD1-CB 4.37Å; Y777-E783 HydrophobicContact CE1-CB 4.34Å; E783-S785 PolarHBondContact O-N 3.11Å; E783-K1004 HydrophobicContact CB-CB 3.99Å
784V92.1Very high91Very high1 Ų133.2 Ų33.21%0.00616%0.156CC..PPolyproline II helixtrans-59.5136.8-175-660000111.8F663 I776 W778 V782 H788 D789 I792F663-V784 HydrophobicContact CD1-CG2 4.26Å; F663-V784 HydrophobicContact CE1-CG2 3.47Å; F663-V784 VanDerWaalsContact CE1-CG2 3.47Å; F663-V784 HydrophobicContact CZ-CG2 3.85Å; I776-V784 HydrophobicContact CB-CG1 4.24Å; I776-V784 HydrophobicContact CB-CG2 3.82Å; I776-V784 HydrophobicContact CG2-CG1 3.77Å; I776-V784 HydrophobicContact CG2-CG2 4.19Å; I776-V784 PolarHBondContact O-N 3.01Å; W778-V784 HydrophobicContact CB-CG1 4.17Å; W778-V784 HydrophobicContact CE3-CG1 4.41Å; V782-V784 PolarHBondContact O-N 3.06Å; V784-H788 HydrophobicContact CB-CB 4.12Å; V784-H788 HydrophobicContact CG1-CB 4.15Å; V784-D789 HydrophobicContact CG2-CB 4.43Å; V784-I792 HydrophobicContact CG1-CD1 4.49Å
785S84.7Confident90.4Very high12 Ų1234.8 Ų34.88%0.08416%0.163CC..  trans-132.2-174.9170.9600000109.2E783 H788 D789E783-S785 PolarHBondContact O-N 3.11Å; S785-H788 PolarHBondContact O-N 3.35Å; S785-D789 PolarHBondContact O-N 3.26Å
786T80.6Confident90Very high54 Ų5434.7 Ų34.733%0.33116%0.162SC..THydrogen-bonded Turntrans-60131.2179.4-62.30000111.1D789 R790T786-D789 WeakPolarHBondContact CA-OD1 3.2Å; T786-D789 PolarHBondContact N-OD1 2.81Å; T786-D789 VanDerWaalsContact N-OD1 3.16Å; T786-D789 PolarHBondContact N-OD2 3.08Å; T786-D789 PolarHBondContact OG1-OD1 3.03Å; T786-D789 PolarHBondContact OG1-OD2 3.03Å; T786-R790 PolarHBondContact OG1-NE 3.37Å
787P85.1Confident89.2Confident70 Ų7039.6 Ų39.646%0.45519%0.185SC..THydrogen-bonded Turncis-94.4-511.937.7-36.7000115.9R790 N791P787-R790 PolarHBondContact O-N 3.12Å; P787-N791 WeakPolarHBondContact O-CB 3.49Å; P787-N791 VanDerWaalsContact O-CG 3.29Å; P787-N791 PolarHBondContact O-N 3.26Å; P787-N791 PolarHBondContact O-ND2 3.27Å; P787-N791 VanDerWaalsContact O-ND2 3.13Å
788H90.1Very high88.1Confident41 Ų4143.7 Ų43.719%0.1921%0.207CC..Hα-helixtrans-63.9-45.8-172-60.8-56.9000112.3Y694 W778 V784 S785 R790 N791 I792Y694-H788 HydrophobicContact CE1-CB 4.07Å; Y694-H788 AromaticContact CE1-ND1 3.48Å; Y694-H788 WeakPolarHBondContact CE1-ND1 3.34Å; Y694-H788 AromaticContact CZ-ND1 3.62Å; Y694-H788 PolarHBondContact OH-ND1 3.22Å; W778-H788 AromaticContact CD1-NE2 3.55Å; W778-H788 AromaticContact CE2-CE1 3.48Å; W778-H788 VanDerWaalsContact CE2-CE1 3.48Å; W778-H788 AromaticContact CE2-ND1 3.83Å; W778-H788 AromaticContact CE2-NE2 3.81Å; W778-H788 AromaticContact CG-NE2 3.99Å; W778-H788 AromaticContact CZ2-CE1 3.75Å; W778-H788 AromaticContact CZ2-ND1 3.91Å; W778-H788 AromaticContact NE1-CE1 3.46Å; W778-H788 PolarHBondContact NE1-CE1 2.94Å; W778-H788 AromaticContact NE1-NE2 3.43Å; W778-H788 PolarHBondContact NE1-NE2 3.21Å; V784-H788 HydrophobicContact CB-CB 4.12Å; V784-H788 HydrophobicContact CG1-CB 4.15Å; S785-H788 PolarHBondContact O-N 3.35Å; H788-R790 PolarHBondContact O-N 2.91Å; H788-N791 PolarHBondContact O-N 2.76Å; H788-I792 VanDerWaalsContact O-CG1 3.28Å; H788-I792 WeakPolarHBondContact O-CG1 3.33Å; H788-I792 PolarHBondContact O-N 3.16Å
789D88Confident87Confident9 Ų942.5 Ų42.55%0.04820%0.203CC..Hα-helixtrans-52.6-52.1175.956.93.7000112.3F663 V784 S785 T786 N791 I792 M793F663-D789 HydrophobicContact CB-CB 4.46Å; F663-D789 HydrophobicContact CD1-CB 4.3Å; F663-D789 HydrophobicContact CD2-CB 3.82Å; F663-D789 HydrophobicContact CE2-CB 4.05Å; F663-D789 WeakPolarHBondContact CE2-O 3.34Å; F663-D789 HydrophobicContact CG-CB 3.95Å; F663-D789 HydrophobicContact CZ-CB 4.38Å; V784-D789 HydrophobicContact CG2-CB 4.43Å; S785-D789 PolarHBondContact O-N 3.26Å; T786-D789 WeakPolarHBondContact CA-OD1 3.2Å; T786-D789 PolarHBondContact N-OD1 2.81Å; T786-D789 VanDerWaalsContact N-OD1 3.16Å; T786-D789 PolarHBondContact N-OD2 3.08Å; T786-D789 PolarHBondContact OG1-OD1 3.03Å; T786-D789 PolarHBondContact OG1-OD2 3.03Å; D789-N791 PolarHBondContact O-N 3.14Å; D789-I792 PolarHBondContact O-N 3.41Å; D789-M793 WeakPolarHBondContact O-CG 3.3Å; D789-M793 PolarHBondContact O-N 3.45Å
790R85.7Confident86.3Confident122 Ų12237.1 Ų37.146%0.4619%0.185SC..Hα-helixtrans-64.7-38.9179.7-67.9-176.8-167.4172.54.7112.2T786 P787 H788 M793 K794T786-R790 PolarHBondContact OG1-NE 3.37Å; P787-R790 PolarHBondContact O-N 3.12Å; H788-R790 PolarHBondContact O-N 2.91Å; R790-M793 PolarHBondContact O-N 3.05Å; R790-K794 WeakPolarHBondContact O-CB 3.27Å; R790-K794 PolarHBondContact O-N 3.49Å
791N88.3Confident85.5Confident46 Ų4635.8 Ų35.825%0.24618%0.178CC..Hα-helixtrans-68.3-44.2178.9-72.8-32.7000111Y694 P787 H788 D789 M793 K794 H795Y694-N791 HydrophobicContact CD1-CB 4.07Å; Y694-N791 HydrophobicContact CD2-CB 3.56Å; Y694-N791 HydrophobicContact CE1-CB 3.87Å; Y694-N791 HydrophobicContact CE2-CB 3.36Å; Y694-N791 WeakPolarHBondContact CE2-ND2 3.45Å; Y694-N791 HydrophobicContact CG-CB 3.92Å; Y694-N791 PolarHBondContact OH-ND2 3.1Å; Y694-N791 VanDerWaalsContact OH-ND2 3.13Å; P787-N791 WeakPolarHBondContact O-CB 3.49Å; P787-N791 VanDerWaalsContact O-CG 3.29Å; P787-N791 PolarHBondContact O-N 3.26Å; P787-N791 PolarHBondContact O-ND2 3.27Å; P787-N791 VanDerWaalsContact O-ND2 3.13Å; H788-N791 PolarHBondContact O-N 2.76Å; D789-N791 PolarHBondContact O-N 3.14Å; N791-M793 VanDerWaalsContact C-N 3.33Å; N791-M793 PolarHBondContact O-N 3.05Å; N791-K794 PolarHBondContact O-N 3.32Å; N791-H795 PolarHBondContact O-CD2 3.42Å; N791-H795 PolarHBondContact O-N 3.12Å
792I90.5Very high84.8Confident0 Ų036.7 Ų36.70%018%0.184CC..Hα-helixtrans-56.1-49.7173.8-67.2168.7000110.1F663 M691 Y694 I776 V784 H788 D789 K794 H795 M796F663-I792 HydrophobicContact CE2-CB 4.3Å; F663-I792 HydrophobicContact CE2-CG2 4.23Å; F663-I792 HydrophobicContact CZ-CD1 4.36Å; F663-I792 HydrophobicContact CZ-CG2 4.33Å; M691-I792 HydrophobicContact CB-CG1 4.49Å; M691-I792 HydrophobicContact CB-CG2 4.15Å; M691-I792 HydrophobicContact CG-CD1 4.28Å; Y694-I792 HydrophobicContact CD1-CG1 3.74Å; Y694-I792 HydrophobicContact CE1-CG1 4.48Å; Y694-I792 HydrophobicContact CG-CG1 4.48Å; I776-I792 HydrophobicContact CD1-CD1 4.28Å; I776-I792 HydrophobicContact CG2-CD1 4.21Å; V784-I792 HydrophobicContact CG1-CD1 4.49Å; H788-I792 VanDerWaalsContact O-CG1 3.28Å; H788-I792 WeakPolarHBondContact O-CG1 3.33Å; H788-I792 PolarHBondContact O-N 3.16Å; D789-I792 PolarHBondContact O-N 3.41Å; I792-K794 VanDerWaalsContact C-N 3.34Å; I792-K794 PolarHBondContact O-N 2.65Å; I792-H795 PolarHBondContact O-N 2.88Å; I792-M796 WeakPolarHBondContact O-CB 3.47Å; I792-M796 PolarHBondContact O-N 3.34Å
793M88.6Confident84Confident18 Ų1837.7 Ų37.79%0.08919%0.187CC..Hα-helixtrans-61.6-41.2178.1-68-50.9-6000112.7V661 F663 I668 D789 R790 N791 M796 Q797V661-M793 WeakPolarHBondContact O-CE 3.43Å; F663-M793 HydrophobicContact CD2-CG 3.49Å; F663-M793 VanDerWaalsContact CD2-CG 3.49Å; F663-M793 HydrophobicContact CD2-SD 3.66Å; F663-M793 HydrophobicContact CE2-CG 3.68Å; F663-M793 HydrophobicContact CE2-SD 3.67Å; I668-M793 HydrophobicContact CD1-SD 4.12Å; D789-M793 WeakPolarHBondContact O-CG 3.3Å; D789-M793 PolarHBondContact O-N 3.45Å; R790-M793 PolarHBondContact O-N 3.05Å; N791-M793 VanDerWaalsContact C-N 3.33Å; N791-M793 PolarHBondContact O-N 3.05Å; M793-M796 HydrophobicContact CE-CE 3.33Å; M793-M796 HydrophobicContact CE-SD 4.14Å; M793-M796 WeakPolarHBondContact O-CB 3.17Å; M793-M796 PolarHBondContact O-N 3.15Å; M793-M796 HydrophobicContact SD-CE 4.4Å; M793-Q797 WeakPolarHBondContact O-CB 3.41Å; M793-Q797 WeakPolarHBondContact O-CG 3.22Å; M793-Q797 PolarHBondContact O-N 3.25Å
794K84.8Confident82.5Confident107 Ų10741.9 Ų41.947%0.46521%0.208SC..Hα-helixtrans-63.7-43.6177.2179.1-178.6174.7-168.90111.3R790 N791 I792 Q797 N798R790-K794 WeakPolarHBondContact O-CB 3.27Å; R790-K794 PolarHBondContact O-N 3.49Å; N791-K794 PolarHBondContact O-N 3.32Å; I792-K794 VanDerWaalsContact C-N 3.34Å; I792-K794 PolarHBondContact O-N 2.65Å; K794-Q797 PolarHBondContact O-N 3.3Å; K794-N798 WeakPolarHBondContact O-CB 3.27Å; K794-N798 PolarHBondContact O-N 2.78Å; K794-N798 PolarHBondContact O-ND2 3.13Å; K794-N798 VanDerWaalsContact O-ND2 3.14Å
795H83.7Confident81.9Confident36 Ų3645.1 Ų45.117%0.16723%0.225CC..Hα-helixtrans-65.1-42.5176.4-82.9-86.6000111.4G690 D693 Y694 N791 I792 N798 N799G690-H795 VanDerWaalsContact O-CB 3.24Å; G690-H795 WeakPolarHBondContact O-CB 3.46Å; D693-H795 HydrophobicContact CB-CB 4.32Å; Y694-H795 AromaticContact CD2-CD2 3.92Å; Y694-H795 AromaticContact CD2-NE2 3.9Å; N791-H795 PolarHBondContact O-CD2 3.42Å; N791-H795 PolarHBondContact O-N 3.12Å; I792-H795 PolarHBondContact O-N 2.88Å; H795-N798 PolarHBondContact O-N 3.14Å; H795-N799 PolarHBondContact O-N 3.39Å
796M86Confident81.9Confident1 Ų144.6 Ų44.61%0.00522%0.222CC..Hα-helixtrans-57.3-50.6172.6-178.5-17292.400111.8H660 Q686 I687 I792 M793 N798 N799 L800H660-M796 HydrophobicContact CB-CE 3.99Å; Q686-M796 HydrophobicContact CB-CG 3.89Å; Q686-M796 HydrophobicContact CB-SD 4.32Å; Q686-M796 WeakPolarHBondContact O-CG 3.37Å; I687-M796 HydrophobicContact CB-SD 4.4Å; I687-M796 HydrophobicContact CG1-SD 3.71Å; I792-M796 WeakPolarHBondContact O-CB 3.47Å; I792-M796 PolarHBondContact O-N 3.34Å; M793-M796 HydrophobicContact CE-CE 3.33Å; M793-M796 HydrophobicContact CE-SD 4.14Å; M793-M796 WeakPolarHBondContact O-CB 3.17Å; M793-M796 PolarHBondContact O-N 3.15Å; M793-M796 HydrophobicContact SD-CE 4.4Å; M796-N798 VanDerWaalsContact C-N 3.31Å; M796-N798 PolarHBondContact O-N 2.72Å; M796-N799 CarbonylContact O-C 3.6Å; M796-N799 PolarHBondContact O-N 3.41Å; M796-L800 HydrophobicContact CG-CD2 4.47Å; M796-L800 WeakPolarHBondContact O-CD2 3.4Å; M796-L800 PolarHBondContact O-N 2.97Å
797Q80.9Confident82.3Confident103 Ų10343.8 Ų43.848%0.48121%0.212SC..Hα-helixtrans-66.6-31.7-178.7-73.2171.8-5.300113.1M793 K794M793-Q797 WeakPolarHBondContact O-CB 3.41Å; M793-Q797 WeakPolarHBondContact O-CG 3.22Å; M793-Q797 PolarHBondContact O-N 3.25Å; K794-Q797 PolarHBondContact O-N 3.3Å
798N74.3Confident82.4Confident86 Ų8643.8 Ų43.846%0.4621%0.209SC..Hα-helixtrans-72.9-32.8174.5-71.6-24000111.7P476 K794 H795 M796P476-N798 WeakPolarHBondContact CB-O 3.25Å; K794-N798 WeakPolarHBondContact O-CB 3.27Å; K794-N798 PolarHBondContact O-N 2.78Å; K794-N798 PolarHBondContact O-ND2 3.13Å; K794-N798 VanDerWaalsContact O-ND2 3.14Å; H795-N798 PolarHBondContact O-N 3.14Å; M796-N798 VanDerWaalsContact C-N 3.31Å; M796-N798 PolarHBondContact O-N 2.72Å
799N72.8Confident82.4Confident5 Ų543.6 Ų43.63%0.02721%0.21CC..  trans-123.461.2-174.9-66.2-26.6000112D693 H795 M796 S801D693-N799 PolarHBondContact OD2-ND2 3.3Å; H795-N799 PolarHBondContact O-N 3.39Å; M796-N799 CarbonylContact O-C 3.6Å; M796-N799 PolarHBondContact O-N 3.41Å; N799-S801 VanDerWaalsContact C-N 3.3Å; N799-S801 PolarHBondContact O-N 2.86Å
800L78.3Confident82.3Confident26 Ų2645.6 Ų45.614%0.13623%0.225CC..  trans-71.4-19.8-179.3-69.4172.3000114.1W631 H660 Q686 M796W631-L800 HydrophobicContact CE3-CB 4.35Å; W631-L800 HydrophobicContact CH2-CB 3.41Å; W631-L800 VanDerWaalsContact CH2-CB 3.41Å; W631-L800 HydrophobicContact CH2-CD1 3.89Å; W631-L800 HydrophobicContact CH2-CG 4.31Å; W631-L800 HydrophobicContact CZ2-CB 4.11Å; W631-L800 HydrophobicContact CZ3-CB 3.56Å; W631-L800 HydrophobicContact CZ3-CD1 4.07Å; W631-L800 HydrophobicContact CZ3-CG 4.39Å; H660-L800 VanDerWaalsContact CE1-CD2 3.48Å; H660-L800 WeakPolarHBondContact CE1-CD2 3.1Å; Q686-L800 WeakPolarHBondContact CG-O 3.36Å; Q686-L800 PolarHBondContact NE2-O 2.93Å; M796-L800 HydrophobicContact CG-CD2 4.47Å; M796-L800 WeakPolarHBondContact O-CD2 3.4Å; M796-L800 PolarHBondContact O-N 2.97Å
801S76.5Confident82.3Confident7 Ų739.8 Ų39.85%0.04920%0.203CC..SBendtrans-70.1125.9176.254.80000110.2Q689 N799Q689-S801 PolarHBondContact NE2-O 3.06Å; N799-S801 VanDerWaalsContact C-N 3.3Å; N799-S801 PolarHBondContact O-N 2.86Å
802P80.4Confident82.3Confident19 Ų1939.1 Ų39.112%0.12320%0.199CC..PPolyproline II helixtrans-66.4148.2172.830.1-35.5000110.7W631 L682 I685 Q689 W807W631-P802 HydrophobicContact CB-CG 4.3Å; L682-P802 HydrophobicContact CD1-CB 4.11Å; L682-P802 HydrophobicContact CD1-CG 3.81Å; I685-P802 HydrophobicContact CG2-CB 3.69Å; Q689-P802 VanDerWaalsContact OE1-CA 3.29Å; P802-W807 HydrophobicContact CB-CH2 3.95Å; P802-W807 HydrophobicContact CB-CZ3 3.51Å; P802-W807 HydrophobicContact CG-CH2 3.82Å; P802-W807 HydrophobicContact CG-CZ3 3.58Å
803W77.8Confident82Confident24 Ų2446.7 Ų46.79%0.09124%0.235CC..PPolyproline II helixtrans-67.2151169.2-52.9-22.1000109.9Q689 C692 I727 K731 D805 S806Q689-W803 HydrophobicContact CB-CZ2 4.21Å; Q689-W803 HydrophobicContact CG-CD2 3.87Å; Q689-W803 HydrophobicContact CG-CE3 4.26Å; Q689-W803 HydrophobicContact CG-CG 4.35Å; Q689-W803 HydrophobicContact CG-CH2 4.2Å; Q689-W803 HydrophobicContact CG-CZ2 3.83Å; Q689-W803 HydrophobicContact CG-CZ3 4.43Å; C692-W803 HydrophobicContact CB-CH2 4.25Å; I727-W803 HydrophobicContact CB-CZ3 4.28Å; I727-W803 HydrophobicContact CG2-CE3 4.15Å; I727-W803 HydrophobicContact CG2-CH2 3.75Å; I727-W803 HydrophobicContact CG2-CZ3 3.42Å; I727-W803 VanDerWaalsContact CG2-CZ3 3.42Å; K731-W803 HydrophobicContact CD-CH2 4.01Å; K731-W803 HydrophobicContact CD-CZ3 4.11Å; K731-W803 HydrophobicContact CG-CH2 3.58Å; K731-W803 HydrophobicContact CG-CZ3 3.66Å; W803-D805 VanDerWaalsContact C-N 3.28Å; W803-D805 PolarHBondContact O-N 3.37Å; W803-S806 WeakPolarHBondContact CB-OG 3.22Å; W803-S806 PolarHBondContact N-OG 2.83Å; W803-S806 VanDerWaalsContact O-CB 3.3Å; W803-S806 WeakPolarHBondContact O-CB 3.47Å; W803-S806 PolarHBondContact O-N 2.92Å; W803-S806 PolarHBondContact O-OG 3.28Å; W803-S806 VanDerWaalsContact O-OG 3.05Å
804M63.4Low81.7Confident93 Ų9351.6 Ų51.646%0.45825%0.252SS..THydrogen-bonded Turntrans-49.5-47.9-174.3-172.7-174.4-40.600113E595 K596 S806E595-M804 HydrophobicContact CB-CB 4.2Å; E595-M804 HydrophobicContact CB-CE 3.42Å; E595-M804 VanDerWaalsContact CB-CE 3.42Å; E595-M804 HydrophobicContact CB-CG 3.87Å; E595-M804 HydrophobicContact CB-SD 4.06Å; K596-M804 VanDerWaalsContact CA-CE 3.41Å; K596-M804 HydrophobicContact CB-CE 3.75Å; M804-S806 VanDerWaalsContact C-N 3.32Å; M804-S806 PolarHBondContact O-N 2.9Å
805D79.1Confident81.4Confident69 Ų6957 Ų5737%0.36927%0.27SS..THydrogen-bonded Turntrans-93.914.9-173.8-48.2-36000113.4N726 R730 W803 W807 D808N726-D805 PolarHBondContact ND2-O 2.84Å; R730-D805 IonicContact CZ-OD2 2.65Å; R730-D805 IonicContact NH1-OD2 3.84Å; R730-D805 PolarHBondContact NH1-OD2 3.44Å; W803-D805 VanDerWaalsContact C-N 3.28Å; W803-D805 PolarHBondContact O-N 3.37Å; D805-W807 PolarHBondContact O-N 2.82Å; D805-D808 HydrophobicContact CB-CB 4.42Å; D805-D808 PolarHBondContact O-N 3.44Å
806S86Confident81.2Confident1 Ų164.1 Ų64.11%0.00730%0.303CS..THydrogen-bonded Turntrans-60.4-30.5-174.5-71.20000112.7I685 Q689 L723 N726 W803 M804I685-S806 VanDerWaalsContact CG2-CB 3.46Å; Q689-S806 PolarHBondContact OE1-OG 3.32Å; L723-S806 WeakPolarHBondContact CD2-O 3.46Å; N726-S806 PolarHBondContact ND2-O 2.97Å; W803-S806 WeakPolarHBondContact CB-OG 3.22Å; W803-S806 PolarHBondContact N-OG 2.83Å; W803-S806 VanDerWaalsContact O-CB 3.3Å; W803-S806 WeakPolarHBondContact O-CB 3.47Å; W803-S806 PolarHBondContact O-N 2.92Å; W803-S806 PolarHBondContact O-OG 3.28Å; W803-S806 VanDerWaalsContact O-OG 3.05Å; M804-S806 VanDerWaalsContact C-N 3.32Å; M804-S806 PolarHBondContact O-N 2.9Å
807W89Confident81.1Confident36 Ų3666.5 Ų66.514%0.13632%0.316CS..THydrogen-bonded Turntrans-82.1-19.2175.7-82.8-97.2000114.9W631 K633 E681 L682 I685 R719 P802 D805 V809W631-W807 WeakPolarHBondContact O-CH2 3.43Å; K633-W807 HydrophobicContact CB-CD2 3.91Å; K633-W807 HydrophobicContact CB-CE3 4.11Å; K633-W807 HydrophobicContact CB-CG 4.39Å; K633-W807 HydrophobicContact CB-CH2 4.28Å; K633-W807 HydrophobicContact CB-CZ2 4.1Å; K633-W807 HydrophobicContact CB-CZ3 4.27Å; K633-W807 HydrophobicContact CG-CD2 4.18Å; K633-W807 HydrophobicContact CG-CE3 3.84Å; K633-W807 HydrophobicContact CG-CH2 4.05Å; K633-W807 HydrophobicContact CG-CZ2 4.38Å; K633-W807 HydrophobicContact CG-CZ3 3.76Å; E681-W807 PolarHBondContact OE2-NE1 3.34Å; L682-W807 HydrophobicContact CB-CH2 4.23Å; L682-W807 HydrophobicContact CB-CZ2 4.02Å; L682-W807 HydrophobicContact CD1-CH2 3.85Å; L682-W807 HydrophobicContact CD1-CZ2 4.5Å; I685-W807 HydrophobicContact CD1-CD2 3.53Å; I685-W807 HydrophobicContact CD1-CE3 3.67Å; I685-W807 HydrophobicContact CD1-CG 4.19Å; I685-W807 HydrophobicContact CD1-CH2 3.87Å; I685-W807 HydrophobicContact CD1-CZ2 3.73Å; I685-W807 HydrophobicContact CD1-CZ3 3.85Å; R719-W807 PolarHBondContact NH2-O 2.82Å; P802-W807 HydrophobicContact CB-CH2 3.95Å; P802-W807 HydrophobicContact CB-CZ3 3.51Å; P802-W807 HydrophobicContact CG-CH2 3.82Å; P802-W807 HydrophobicContact CG-CZ3 3.58Å; D805-W807 PolarHBondContact O-N 2.82Å; W807-V809 PolarHBondContact O-N 3.01Å
808D86.9Confident81.6Confident71 Ų7162.5 Ų62.538%0.3830%0.299SS..  trans-85.7105.8-179.2169.726.1000110.5N726 R730 D805 S810N726-D808 PolarHBondContact ND2-O 3.16Å; N726-D808 PolarHBondContact OD1-O 3.1Å; R730-D808 IonicContact CZ-OD2 2.8Å; R730-D808 PolarHBondContact NH2-O 2.78Å; R730-D808 IonicContact NH2-OD2 3.45Å; R730-D808 PolarHBondContact NH2-OD2 3.41Å; D805-D808 HydrophobicContact CB-CB 4.42Å; D805-D808 PolarHBondContact O-N 3.44Å; D808-S810 VanDerWaalsContact C-N 3.3Å; D808-S810 PolarHBondContact O-N 3.21Å; D808-S810 WeakPolarHBondContact OD1-CB 3.29Å; D808-S810 PolarHBondContact OD1-N 2.77Å; D808-S810 PolarHBondContact OD1-OG 2.85Å; D808-S810 PolarHBondContact OD2-OG 3.08Å
809V89Confident82.5Confident36 Ų3660.7 Ų60.722%0.21829%0.291CS..G310 helixtrans-87.29.4-177.4-63.50000113.6R719 Q722 L723 N726 W807 A811 L812R719-V809 VanDerWaalsContact NH1-CG1 3.27Å; Q722-V809 HydrophobicContact CB-CB 4.35Å; Q722-V809 HydrophobicContact CB-CG1 3.84Å; L723-V809 HydrophobicContact CD2-CG1 3.99Å; N726-V809 HydrophobicContact CB-CG1 4.44Å; W807-V809 PolarHBondContact O-N 3.01Å; V809-A811 PolarHBondContact O-N 2.94Å; V809-A811 VanDerWaalsContact O-N 3.09Å; V809-L812 HydrophobicContact CB-CD1 4.12Å; V809-L812 WeakPolarHBondContact O-CB 3.45Å; V809-L812 WeakPolarHBondContact O-CD1 3.47Å; V809-L812 PolarHBondContact O-N 3.32Å; V809-L812 VanDerWaalsContact O-N 3.09Å
810S86.9Confident83.6Confident51 Ų5163.8 Ų63.836%0.35731%0.308SS..G310 helixtrans-56-26.4177.564.10000113.7D808 L812 E813D808-S810 VanDerWaalsContact C-N 3.3Å; D808-S810 PolarHBondContact O-N 3.21Å; D808-S810 WeakPolarHBondContact OD1-CB 3.29Å; D808-S810 PolarHBondContact OD1-N 2.77Å; D808-S810 PolarHBondContact OD1-OG 2.85Å; D808-S810 PolarHBondContact OD2-OG 3.08Å; S810-L812 PolarHBondContact O-N 3.13Å; S810-L812 VanDerWaalsContact O-N 3.09Å; S810-E813 WeakPolarHBondContact O-CB 3.24Å; S810-E813 WeakPolarHBondContact O-CG 3.3Å; S810-E813 PolarHBondContact O-N 3.27Å
811A85.8Confident84.4Confident1 Ų162.7 Ų62.71%0.00830%0.302CS..G310 helixtrans-60.1-22.617800000113.4N726 L729 R730 V809 E813 R814N726-A811 WeakPolarHBondContact OD1-CB 3.41Å; L729-A811 HydrophobicContact CB-CB 4.06Å; L729-A811 HydrophobicContact CD1-CB 4.42Å; R730-A811 HydrophobicContact CG-CB 4.28Å; V809-A811 PolarHBondContact O-N 2.94Å; V809-A811 VanDerWaalsContact O-N 3.09Å; A811-E813 PolarHBondContact O-N 2.93Å; A811-R814 VanDerWaalsContact O-CB 3.31Å; A811-R814 WeakPolarHBondContact O-CB 3.45Å; A811-R814 VanDerWaalsContact O-CG 3.32Å; A811-R814 WeakPolarHBondContact O-CG 3.47Å; A811-R814 PolarHBondContact O-N 3.08Å; A811-R814 VanDerWaalsContact O-N 3.13Å
812L87.9Confident85.4Confident31 Ų3163.2 Ų63.216%0.16230%0.304CS..G310 helixtrans-63.5-20.2176.5-83.772.8000112.8Q722 A725 N726 L729 F737 V809 S810 R814Q722-L812 HydrophobicContact CB-CD2 3.99Å; Q722-L812 HydrophobicContact CG-CD2 3.78Å; Q722-L812 WeakPolarHBondContact O-CD1 3.37Å; A725-L812 HydrophobicContact CB-CD1 4.21Å; A725-L812 HydrophobicContact CB-CG 4.41Å; N726-L812 HydrophobicContact CB-CD1 3.91Å; L729-L812 HydrophobicContact CD1-CD1 4.09Å; L729-L812 HydrophobicContact CD1-CG 4.15Å; F737-L812 HydrophobicContact CD1-CD2 4.41Å; F737-L812 HydrophobicContact CE1-CD2 4.12Å; F737-L812 HydrophobicContact CE2-CD2 4.39Å; F737-L812 HydrophobicContact CZ-CD2 4.12Å; V809-L812 HydrophobicContact CB-CD1 4.12Å; V809-L812 WeakPolarHBondContact O-CB 3.45Å; V809-L812 WeakPolarHBondContact O-CD1 3.47Å; V809-L812 PolarHBondContact O-N 3.32Å; V809-L812 VanDerWaalsContact O-N 3.09Å; S810-L812 PolarHBondContact O-N 3.13Å; S810-L812 VanDerWaalsContact O-N 3.09Å; L812-R814 PolarHBondContact O-N 2.74Å
813E84Confident86.1Confident160 Ų16068.9 Ų68.975%0.74833%0.333SS*.G310 helixtrans-70.2-12.3176-61.6-179.3170.900113S810 A811 R815S810-E813 WeakPolarHBondContact O-CB 3.24Å; S810-E813 WeakPolarHBondContact O-CG 3.3Å; S810-E813 PolarHBondContact O-N 3.27Å; A811-E813 PolarHBondContact O-N 2.93Å; E813-R815 VanDerWaalsContact C-N 3.28Å; E813-R815 PolarHBondContact O-N 2.96Å
814R82.3Confident87Confident120 Ų12070 Ų7045%0.45334%0.341SS..  trans-7475.1178-62178.3-174.4177.12.6111.5A811 L812 E816 L817 C818A811-R814 VanDerWaalsContact O-CB 3.31Å; A811-R814 WeakPolarHBondContact O-CB 3.45Å; A811-R814 VanDerWaalsContact O-CG 3.32Å; A811-R814 WeakPolarHBondContact O-CG 3.47Å; A811-R814 PolarHBondContact O-N 3.08Å; A811-R814 VanDerWaalsContact O-N 3.13Å; L812-R814 PolarHBondContact O-N 2.74Å; R814-E816 PolarHBondContact O-N 3.4Å; R814-L817 PolarHBondContact O-N 2.7Å; R814-C818 PolarHBondContact O-N 2.8Å
815R78.9Confident88.5Confident221 Ų22165.6 Ų65.683%0.83432%0.319SS*.THydrogen-bonded Turntrans-55.9-21.7-177.1-63-171-178.7-168.6-0.2115.2E813 L817E813-R815 VanDerWaalsContact C-N 3.28Å; E813-R815 PolarHBondContact O-N 2.96Å; R815-L817 VanDerWaalsContact C-N 3.33Å
816E79.5Confident89.3Confident186 Ų18663.6 Ų63.687%0.86931%0.311SS*.THydrogen-bonded Turntrans-67.3-33174.9-62.7179.2178.200112.9R814R814-E816 PolarHBondContact O-N 3.4Å
817L83.9Confident89.7Confident50 Ų5068.4 Ų68.426%0.26233%0.334SS..THydrogen-bonded Turntrans-106.6-26.5-179.8-68.6176.6000112.5L729 R734 V735 R814 R815L729-L817 HydrophobicContact CD2-CB 3.62Å; R734-L817 CarbonylContact C-O 3.56Å; V735-L817 PolarHBondContact N-O 2.98Å; R814-L817 PolarHBondContact O-N 2.7Å; R815-L817 VanDerWaalsContact C-N 3.33Å
818C91.3Very high90Very high20 Ų2070.3 Ų70.314%0.13534%0.341CS..EExtended strand (participates in β ladder)trans-103107.9-179.5-164.30000109.9L729 V735 R814L729-C818 HydrophobicContact CD1-CB 4.13Å; L729-C818 HydrophobicContact CD2-CB 3.99Å; V735-C818 WeakPolarHBondContact O-CA 3.37Å; R814-C818 PolarHBondContact O-N 2.8Å
819V92.9Very high90.5Very high47 Ų4767 Ų6729%0.28532%0.324SS..EExtended strand (participates in β ladder)trans-118.1136.2-178.3-179.10000109V735 F736 F737 P821V735-V819 PolarHBondContact O-N 2.8Å; F736-V819 CarbonylContact C-O 3.47Å; F736-V819 VanDerWaalsContact CA-O 3.25Å; F736-V819 WeakPolarHBondContact CA-O 3.43Å; F736-V819 HydrophobicContact CD1-CB 4.31Å; F737-V819 PolarHBondContact N-O 2.88Å; V819-P821 WeakPolarHBondContact O-CD 3.46Å
820D95.6Very high90.7Very high71 Ų7167.5 Ų67.538%0.3832%0.324SS..  trans-86.5113.2170.2-175.36.6000110F737 S739 L822F737-D820 WeakPolarHBondContact O-CA 3.31Å; S739-D820 WeakPolarHBondContact CB-OD2 3.34Å; S739-D820 PolarHBondContact N-OD1 3.47Å; S739-D820 PolarHBondContact OG-OD2 2.84Å; D820-L822 VanDerWaalsContact C-N 3.33Å; D820-L822 VanDerWaalsContact OD1-CB 3.28Å; D820-L822 WeakPolarHBondContact OD1-CB 3.44Å; D820-L822 PolarHBondContact OD1-N 3.25Å; D820-L822 VanDerWaalsContact OD1-N 3.13Å
821P96.3Very high91.1Very high2 Ų270.5 Ų70.51%0.01333%0.333CS..  trans-85.5-3.1-177.937.7-39.4000113.3F736 F738 T750 Y754 V819 D823 D824 I825F736-P821 HydrophobicContact CB-CB 4.43Å; F736-P821 HydrophobicContact CB-CG 4.04Å; F736-P821 HydrophobicContact CD1-CB 4.23Å; F738-P821 HydrophobicContact CD1-CG 4.04Å; F738-P821 HydrophobicContact CD2-CG 4.2Å; F738-P821 HydrophobicContact CE1-CG 3.64Å; F738-P821 HydrophobicContact CE2-CG 3.79Å; F738-P821 HydrophobicContact CG-CG 4.32Å; F738-P821 HydrophobicContact CZ-CG 3.48Å; F738-P821 VanDerWaalsContact CZ-CG 3.48Å; T750-P821 HydrophobicContact CG2-CG 4.33Å; Y754-P821 HydrophobicContact CE2-CB 3.77Å; V819-P821 WeakPolarHBondContact O-CD 3.46Å; P821-D823 PolarHBondContact O-N 3.07Å; P821-D824 PolarHBondContact O-N 3.14Å; P821-I825 WeakPolarHBondContact O-CB 3.18Å; P821-I825 WeakPolarHBondContact O-CG2 3.41Å; P821-I825 PolarHBondContact O-N 2.95Å
822L96.4Very high91.5Very high18 Ų1873.7 Ų73.79%0.09435%0.348CS..Hα-helixtrans-52.4-52.7-162179.661.9000114.1F738 K740 I742 D820 S826 F862F738-L822 HydrophobicContact CD1-CB 4.08Å; F738-L822 HydrophobicContact CD1-CD1 4Å; F738-L822 HydrophobicContact CE1-CB 4.4Å; F738-L822 HydrophobicContact CE1-CD1 4.18Å; K740-L822 HydrophobicContact CB-CD2 4.03Å; K740-L822 HydrophobicContact CD-CD2 3.99Å; K740-L822 HydrophobicContact CG-CD2 4.21Å; I742-L822 HydrophobicContact CG2-CD1 3.69Å; D820-L822 VanDerWaalsContact C-N 3.33Å; D820-L822 VanDerWaalsContact OD1-CB 3.28Å; D820-L822 WeakPolarHBondContact OD1-CB 3.44Å; D820-L822 PolarHBondContact OD1-N 3.25Å; D820-L822 VanDerWaalsContact OD1-N 3.13Å; L822-S826 WeakPolarHBondContact O-CB 3.4Å; L822-S826 PolarHBondContact O-N 3.44Å; L822-S826 PolarHBondContact O-OG 3.19Å; L822-F862 HydrophobicContact CD1-CZ 4.06Å
823D94.4Very high91.8Very high139 Ų13972.2 Ų72.274%0.74334%0.34SS*.Hα-helixtrans-67.2-44.8-174.1-67.1-22.3000111.9P821 M827P821-D823 PolarHBondContact O-N 3.07Å; D823-M827 WeakPolarHBondContact O-CB 3.39Å; D823-M827 PolarHBondContact O-N 3.48Å
824D96.6Very high92.3Very high47 Ų4768 Ų6825%0.25132%0.32SS..Hα-helixtrans-65.6-47.3178.917282.4000111.4Y754 P821 M827 R828Y754-D824 PolarHBondContact OH-OD2 3.27Å; P821-D824 PolarHBondContact O-N 3.14Å; D824-M827 PolarHBondContact O-N 2.97Å; D824-R828 VanDerWaalsContact CG-NE 3.26Å; D824-R828 WeakPolarHBondContact O-CG 3.33Å; D824-R828 PolarHBondContact O-N 3.12Å; D824-R828 VanDerWaalsContact O-N 3.09Å; D824-R828 IonicContact OD1-CZ 3.84Å; D824-R828 VanDerWaalsContact OD1-CZ 3.29Å; D824-R828 IonicContact OD1-NE 2.86Å; D824-R828 PolarHBondContact OD1-NE 3.08Å; D824-R828 IonicContact OD1-NH2 3.93Å; D824-R828 PolarHBondContact OD1-NH2 3.35Å; D824-R828 IonicContact OD2-CZ 3.97Å; D824-R828 IonicContact OD2-NE 3.12Å; D824-R828 PolarHBondContact OD2-NE 3.13Å; D824-R828 IonicContact OD2-NH2 3.65Å
825I96.6Very high92.8Very high0 Ų068.3 Ų68.30%033%0.33CS..Hα-helixtrans-70.3-37-176.1-159.769.2000112F738 I746 Y749 T750 R753 Y754 P821 R828 Y829F738-I825 HydrophobicContact CE1-CG2 3.76Å; F738-I825 HydrophobicContact CZ-CG2 3.98Å; I746-I825 HydrophobicContact CG2-CG2 4.05Å; Y749-I825 HydrophobicContact CD1-CD1 3.51Å; Y749-I825 HydrophobicContact CD1-CG1 3.66Å; Y749-I825 HydrophobicContact CE1-CD1 3.41Å; Y749-I825 VanDerWaalsContact CE1-CD1 3.41Å; Y749-I825 HydrophobicContact CE1-CG1 3.88Å; T750-I825 WeakPolarHBondContact OG1-CG1 3.49Å; R753-I825 HydrophobicContact CB-CD1 3.65Å; R753-I825 HydrophobicContact CG-CD1 3.86Å; Y754-I825 HydrophobicContact CD2-CD1 4.16Å; Y754-I825 HydrophobicContact CE2-CB 4.33Å; Y754-I825 HydrophobicContact CE2-CD1 3.93Å; P821-I825 WeakPolarHBondContact O-CB 3.18Å; P821-I825 WeakPolarHBondContact O-CG2 3.41Å; P821-I825 PolarHBondContact O-N 2.95Å; I825-R828 PolarHBondContact O-N 3.11Å; I825-Y829 WeakPolarHBondContact O-CB 3.31Å; I825-Y829 PolarHBondContact O-N 3Å
826S94.8Very high93.4Very high27 Ų2758.6 Ų58.619%0.18930%0.295CS..Hα-helixtrans-63.8-42.7178-57.20000111L822 Q830 F862L822-S826 WeakPolarHBondContact O-CB 3.4Å; L822-S826 PolarHBondContact O-N 3.44Å; L822-S826 PolarHBondContact O-OG 3.19Å; S826-Q830 WeakPolarHBondContact O-CB 3.3Å; S826-Q830 PolarHBondContact O-N 3.27Å; S826-F862 WeakPolarHBondContact OG-CE1 3.41Å
827M95.4Very high94.2Very high102 Ų10250.5 Ų50.550%0.50226%0.259SS..Hα-helixtrans-63.9-47.2176.9-176.2-17569.400111.7D823 D824 Y829 Q830 M831D823-M827 WeakPolarHBondContact O-CB 3.39Å; D823-M827 PolarHBondContact O-N 3.48Å; D824-M827 PolarHBondContact O-N 2.97Å; M827-Y829 PolarHBondContact O-N 3.05Å; M827-Q830 PolarHBondContact O-N 3.15Å; M827-M831 HydrophobicContact CG-SD 4.21Å; M827-M831 WeakPolarHBondContact O-CG 3.34Å; M827-M831 PolarHBondContact O-N 3.4Å
828R95.5Very high94.6Very high76 Ų7651.5 Ų51.529%0.28726%0.26SS..Hα-helixtrans-62.3-44.7178.3-68.1174.3-169.4-78.8-7.1112Y749 D824 I825 Q830 M831 E832Y749-R828 HydrophobicContact CE1-CB 4.13Å; Y749-R828 WeakPolarHBondContact OH-CB 3.25Å; D824-R828 VanDerWaalsContact CG-NE 3.26Å; D824-R828 WeakPolarHBondContact O-CG 3.33Å; D824-R828 PolarHBondContact O-N 3.12Å; D824-R828 VanDerWaalsContact O-N 3.09Å; D824-R828 IonicContact OD1-CZ 3.84Å; D824-R828 VanDerWaalsContact OD1-CZ 3.29Å; D824-R828 IonicContact OD1-NE 2.86Å; D824-R828 PolarHBondContact OD1-NE 3.08Å; D824-R828 IonicContact OD1-NH2 3.93Å; D824-R828 PolarHBondContact OD1-NH2 3.35Å; D824-R828 IonicContact OD2-CZ 3.97Å; D824-R828 IonicContact OD2-NE 3.12Å; D824-R828 PolarHBondContact OD2-NE 3.13Å; D824-R828 IonicContact OD2-NH2 3.65Å; I825-R828 PolarHBondContact O-N 3.11Å; R828-Q830 VanDerWaalsContact C-N 3.33Å; R828-Q830 PolarHBondContact O-N 3.03Å; R828-M831 PolarHBondContact O-N 2.97Å; R828-E832 WeakPolarHBondContact O-CB 3.27Å; R828-E832 PolarHBondContact O-N 2.72Å
829Y96.2Very high94.7Very high2 Ų252.8 Ų52.81%0.00826%0.263CS..Hα-helixtrans-59.5-45.4177.7174.7-93.2000111.3I746 Y749 I825 M827 S833 V866 I1034 D1039 I1041 I1042I746-Y829 HydrophobicContact CD1-CD1 3.44Å; I746-Y829 VanDerWaalsContact CD1-CD1 3.44Å; I746-Y829 HydrophobicContact CD1-CD2 3.67Å; I746-Y829 HydrophobicContact CD1-CE1 3.55Å; I746-Y829 HydrophobicContact CD1-CE2 3.78Å; I746-Y829 HydrophobicContact CD1-CG 3.47Å; I746-Y829 VanDerWaalsContact CD1-CG 3.47Å; Y749-Y829 AromaticContact CD1-CD2 3.9Å; Y749-Y829 HydrophobicContact CD1-CD2 3.9Å; Y749-Y829 HydrophobicContact CD1-CG 4.33Å; Y749-Y829 HydrophobicContact CE1-CD2 4.46Å; Y749-Y829 HydrophobicContact CG-CD2 4.04Å; I825-Y829 WeakPolarHBondContact O-CB 3.31Å; I825-Y829 PolarHBondContact O-N 3Å; M827-Y829 PolarHBondContact O-N 3.05Å; Y829-S833 WeakPolarHBondContact O-CB 3.33Å; Y829-S833 PolarHBondContact O-N 3.29Å; Y829-V866 HydrophobicContact CD1-CG2 4.42Å; Y829-V866 HydrophobicContact CE1-CG2 4Å; Y829-I1034 HydrophobicContact CD2-CD1 3.93Å; Y829-I1034 HydrophobicContact CD2-CG1 4.29Å; Y829-I1034 HydrophobicContact CE2-CD1 4.5Å; Y829-I1034 HydrophobicContact CE2-CG1 4.48Å; Y829-D1039 WeakPolarHBondContact CE2-OD2 3.37Å; Y829-D1039 PolarHBondContact OH-OD1 3.16Å; Y829-D1039 PolarHBondContact OH-OD2 2.64Å; Y829-I1041 HydrophobicContact CE1-CD1 4.44Å; Y829-I1041 HydrophobicContact CE1-CG2 4.11Å; Y829-I1041 WeakPolarHBondContact OH-CB 3.4Å; Y829-I1042 HydrophobicContact CE2-CD1 4.07Å; Y829-I1042 WeakPolarHBondContact OH-CG1 3.46Å
830Q94.1Very high94.8Very high47 Ų4754.6 Ų54.622%0.2227%0.266CS..Hα-helixtrans-59.2-50.9174.7179.9-175.6-22.600111.2S826 M827 R828 E832 S833 E869S826-Q830 WeakPolarHBondContact O-CB 3.3Å; S826-Q830 PolarHBondContact O-N 3.27Å; M827-Q830 PolarHBondContact O-N 3.15Å; R828-Q830 VanDerWaalsContact C-N 3.33Å; R828-Q830 PolarHBondContact O-N 3.03Å; Q830-E832 PolarHBondContact O-N 3.25Å; Q830-S833 WeakPolarHBondContact O-CB 3.43Å; Q830-S833 PolarHBondContact O-N 3.34Å; Q830-S833 PolarHBondContact O-OG 3.31Å; Q830-E869 HydrophobicContact CG-CB 3.79Å; Q830-E869 HydrophobicContact CG-CG 3.93Å; Q830-E869 PolarHBondContact NE2-OE2 3.37Å
831M93.7Very high94.7Very high113 Ų11357.2 Ų57.256%0.55728%0.28SS*.Hα-helixtrans-61.3-45.5-179.3-69174.768.800112.9M827 R828 S833 F834M827-M831 HydrophobicContact CG-SD 4.21Å; M827-M831 WeakPolarHBondContact O-CG 3.34Å; M827-M831 PolarHBondContact O-N 3.4Å; R828-M831 PolarHBondContact O-N 2.97Å; M831-S833 VanDerWaalsContact C-N 3.27Å; M831-S833 PolarHBondContact O-N 3.22Å; M831-F834 VanDerWaalsContact O-CB 3.3Å; M831-F834 WeakPolarHBondContact O-CB 3.43Å; M831-F834 PolarHBondContact O-N 3.29Å
832E94.9Very high94.5Very high68 Ų6858.3 Ų58.332%0.31829%0.289SS..Hα-helixtrans-73.7-18.7-178.8-73.2177.3-155.200112.7Y749 R828 Q830 F834 I1034Y749-E832 VanDerWaalsContact CE2-OE2 3.27Å; Y749-E832 WeakPolarHBondContact CE2-OE2 3.19Å; Y749-E832 PolarHBondContact OH-OE1 2.82Å; Y749-E832 PolarHBondContact OH-OE2 2.81Å; R828-E832 WeakPolarHBondContact O-CB 3.27Å; R828-E832 PolarHBondContact O-N 2.72Å; Q830-E832 PolarHBondContact O-N 3.25Å; E832-F834 PolarHBondContact O-N 2.75Å; E832-I1034 HydrophobicContact CB-CD1 3.45Å; E832-I1034 VanDerWaalsContact CB-CD1 3.45Å; E832-I1034 HydrophobicContact CB-CG2 4.16Å
833S94.6Very high94.5Very high0 Ų057.5 Ų57.50%029%0.285CS..Hα-helixtrans-62.4-30172.376.30000112.5Y829 Q830 M831 D835 N836 V866 F870Y829-S833 WeakPolarHBondContact O-CB 3.33Å; Y829-S833 PolarHBondContact O-N 3.29Å; Q830-S833 WeakPolarHBondContact O-CB 3.43Å; Q830-S833 PolarHBondContact O-N 3.34Å; Q830-S833 PolarHBondContact O-OG 3.31Å; M831-S833 VanDerWaalsContact C-N 3.27Å; M831-S833 PolarHBondContact O-N 3.22Å; S833-D835 PolarHBondContact O-N 3.37Å; S833-D835 VanDerWaalsContact O-N 3.09Å; S833-N836 PolarHBondContact O-N 2.9Å; S833-N836 PolarHBondContact O-ND2 3.43Å; S833-V866 WeakPolarHBondContact OG-CG1 3.14Å; S833-F870 WeakPolarHBondContact O-CE2 3.37Å; S833-F870 WeakPolarHBondContact O-CZ 2.95Å
834F94.4Very high94.4Very high72 Ų7255.5 Ų55.532%0.31627%0.273SS..G310 helixtrans-60.2-22.3-174.7-169.3-101.8000113.5M831 E832 N836 C837 Y840 E869M831-F834 VanDerWaalsContact O-CB 3.3Å; M831-F834 WeakPolarHBondContact O-CB 3.43Å; M831-F834 PolarHBondContact O-N 3.29Å; E832-F834 PolarHBondContact O-N 2.75Å; F834-N836 PolarHBondContact O-N 2.76Å; F834-C837 HydrophobicContact CD2-CB 4.04Å; F834-C837 HydrophobicContact CE2-CB 4.09Å; F834-C837 WeakPolarHBondContact O-CB 3.34Å; F834-C837 PolarHBondContact O-N 2.67Å; F834-Y840 AromaticContact CE2-CD2 3.5Å; F834-Y840 HydrophobicContact CE2-CD2 3.5Å; F834-Y840 VanDerWaalsContact CE2-CD2 3.5Å; F834-Y840 AromaticContact CE2-CE2 3.87Å; F834-Y840 HydrophobicContact CE2-CE2 3.87Å; F834-Y840 HydrophobicContact CE2-CG 4.15Å; F834-Y840 AromaticContact CZ-CD2 3.91Å; F834-Y840 HydrophobicContact CZ-CD2 3.91Å; F834-Y840 HydrophobicContact CZ-CE2 4.41Å; F834-Y840 HydrophobicContact CZ-CG 4.1Å; F834-E869 HydrophobicContact CB-CG 4.33Å; F834-E869 HydrophobicContact CD2-CG 4.16Å; F834-E869 WeakPolarHBondContact CD2-O 3.43Å; F834-E869 WeakPolarHBondContact CE2-O 3.24Å
835D91.9Very high94.2Very high126 Ų12660.1 Ų60.167%0.67430%0.297SS*.G310 helixtrans-58.7-14.2174.1-74.5-10.4000113.3S833S833-D835 PolarHBondContact O-N 3.37Å; S833-D835 VanDerWaalsContact O-N 3.09Å
836N92.7Very high93.9Very high17 Ų1760.8 Ų60.89%0.09130%0.302CS..G310 helixtrans-1024.3176.5-60.4-83.3000114S833 F834 Y838 F870 I1042 I1046S833-N836 PolarHBondContact O-N 2.9Å; S833-N836 PolarHBondContact O-ND2 3.43Å; F834-N836 PolarHBondContact O-N 2.76Å; N836-Y838 WeakPolarHBondContact O-CD2 3.44Å; N836-F870 HydrophobicContact CB-CZ 4.12Å; N836-I1042 HydrophobicContact CB-CG2 4.26Å; N836-I1046 HydrophobicContact CB-CD1 3.94Å; N836-I1046 HydrophobicContact CB-CG1 3.87Å
837C95.2Very high93.6Very high16 Ų1664.7 Ų64.711%0.10833%0.325CS..  trans-92.6119.7176.8-174.80000110.2F834 F870F834-C837 HydrophobicContact CD2-CB 4.04Å; F834-C837 HydrophobicContact CE2-CB 4.09Å; F834-C837 WeakPolarHBondContact O-CB 3.34Å; F834-C837 PolarHBondContact O-N 2.67Å; C837-F870 HydrophobicContact CB-CD1 3.63Å; C837-F870 HydrophobicContact CB-CD2 4.02Å; C837-F870 HydrophobicContact CB-CE1 3.67Å; C837-F870 HydrophobicContact CB-CE2 4.06Å; C837-F870 HydrophobicContact CB-CG 3.82Å; C837-F870 HydrophobicContact CB-CZ 3.89Å
838Y93.8Very high93.2Very high72 Ų7261.7 Ų61.728%0.28231%0.31SS..SBendtrans-110.3-23.7-176.7-61.7-75.9000113.6N836 W956 L957 N960 D1049N836-Y838 WeakPolarHBondContact O-CD2 3.44Å; Y838-W956 AromaticContact CD2-NE1 3.91Å; Y838-L957 HydrophobicContact CE2-CD2 4.09Å; Y838-N960 HydrophobicContact CD1-CB 3.52Å; Y838-N960 HydrophobicContact CD2-CB 3.65Å; Y838-N960 HydrophobicContact CE1-CB 3.63Å; Y838-N960 HydrophobicContact CE2-CB 3.79Å; Y838-N960 HydrophobicContact CG-CB 3.5Å; Y838-D1049 PolarHBondContact N-OD2 2.96Å
839H93.2Very high93.1Very high46 Ų4662.2 Ų62.221%0.21331%0.314CS..  trans-123.142.7-175.7-5976.7000112.9D841 A842 N843 W956 N960 D1049 Y1053H839-D841 VanDerWaalsContact C-N 3.34Å; H839-D841 PolarHBondContact O-N 3.5Å; H839-A842 HydrophobicContact CB-CB 4.19Å; H839-A842 WeakPolarHBondContact O-CA 3.33Å; H839-A842 WeakPolarHBondContact O-CB 3.42Å; H839-A842 PolarHBondContact O-N 2.72Å; H839-N843 PolarHBondContact O-N 2.87Å; H839-N843 PolarHBondContact O-ND2 3.01Å; H839-N843 PolarHBondContact O-OD1 3.47Å; H839-W956 AromaticContact CE1-CH2 3.23Å; H839-W956 WeakPolarHBondContact CE1-CH2 3.37Å; H839-W956 AromaticContact CE1-CZ2 3.77Å; H839-W956 AromaticContact ND1-CH2 3.29Å; H839-W956 VanDerWaalsContact ND1-CH2 3.29Å; H839-W956 WeakPolarHBondContact ND1-CH2 3.15Å; H839-W956 AromaticContact ND1-CZ2 3.47Å; H839-W956 WeakPolarHBondContact ND1-CZ2 3.34Å; H839-N960 PolarHBondContact CE1-OD1 3.04Å; H839-D1049 VanDerWaalsContact CA-OD1 3.27Å; H839-D1049 WeakPolarHBondContact CA-OD1 3.46Å; H839-D1049 VanDerWaalsContact CB-OD1 3.27Å; H839-D1049 WeakPolarHBondContact CB-OD1 3.48Å; H839-D1049 PolarHBondContact N-OD1 3.34Å; H839-D1049 PolarHBondContact N-OD2 3.16Å; H839-D1049 IonicContact ND1-OD2 3.8Å; H839-Y1053 AromaticContact CD2-CD2 3.88Å; H839-Y1053 AromaticContact CE1-CD2 3.92Å; H839-Y1053 AromaticContact NE2-CD2 3.35Å; H839-Y1053 VanDerWaalsContact NE2-CD2 3.35Å; H839-Y1053 WeakPolarHBondContact NE2-CD2 3.44Å
840Y94.5Very high93.2Very high86 Ų8662.3 Ų62.334%0.33732%0.315SS..Hα-helixtrans-50-46.1-177.4-177.4-102.1000114.4F834 A842 N843 L844 E869 F870 G871F834-Y840 AromaticContact CE2-CD2 3.5Å; F834-Y840 HydrophobicContact CE2-CD2 3.5Å; F834-Y840 VanDerWaalsContact CE2-CD2 3.5Å; F834-Y840 AromaticContact CE2-CE2 3.87Å; F834-Y840 HydrophobicContact CE2-CE2 3.87Å; F834-Y840 HydrophobicContact CE2-CG 4.15Å; F834-Y840 AromaticContact CZ-CD2 3.91Å; F834-Y840 HydrophobicContact CZ-CD2 3.91Å; F834-Y840 HydrophobicContact CZ-CE2 4.41Å; F834-Y840 HydrophobicContact CZ-CG 4.1Å; Y840-A842 VanDerWaalsContact C-N 3.3Å; Y840-A842 PolarHBondContact O-N 2.7Å; Y840-N843 WeakPolarHBondContact O-CB 3.27Å; Y840-N843 PolarHBondContact O-N 3.2Å; Y840-N843 VanDerWaalsContact O-N 3.11Å; Y840-L844 HydrophobicContact CD1-CD1 3.99Å; Y840-L844 HydrophobicContact CD1-CG 4.35Å; Y840-L844 HydrophobicContact CE1-CD1 3.47Å; Y840-L844 VanDerWaalsContact CE1-CD1 3.47Å; Y840-L844 HydrophobicContact CE1-CD2 4.4Å; Y840-L844 HydrophobicContact CE1-CG 3.93Å; Y840-L844 PolarHBondContact O-N 2.97Å; Y840-E869 WeakPolarHBondContact CE2-O 3.29Å; Y840-F870 WeakPolarHBondContact CD2-O 3.43Å; Y840-G871 VanDerWaalsContact CE2-CA 3.44Å
841D93.6Very high93.4Very high126 Ų12660.1 Ų60.167%0.67430%0.304SS*.Hα-helixtrans-63.6-36.7179.9-68.8-26000112.1H839 L845H839-D841 VanDerWaalsContact C-N 3.34Å; H839-D841 PolarHBondContact O-N 3.5Å; D841-L845 WeakPolarHBondContact O-CG 3.3Å
842A92.9Very high93.6Very high25 Ų2554.7 Ų54.721%0.20728%0.278CS..Hα-helixtrans-69.9-38.4174.700000110.5H839 Y840 L844 L845 S846 T1052H839-A842 HydrophobicContact CB-CB 4.19Å; H839-A842 WeakPolarHBondContact O-CA 3.33Å; H839-A842 WeakPolarHBondContact O-CB 3.42Å; H839-A842 PolarHBondContact O-N 2.72Å; Y840-A842 VanDerWaalsContact C-N 3.3Å; Y840-A842 PolarHBondContact O-N 2.7Å; A842-L844 PolarHBondContact O-N 3.12Å; A842-L845 CarbonylContact O-C 3.57Å; A842-L845 PolarHBondContact O-N 2.74Å; A842-L845 VanDerWaalsContact O-N 3.11Å; A842-S846 PolarHBondContact O-N 2.87Å; A842-T1052 VanDerWaalsContact C-CG2 3.46Å; A842-T1052 HydrophobicContact CB-CG2 3.61Å; A842-T1052 WeakPolarHBondContact O-CG2 3.02Å
843N94.7Very high93.7Very high1 Ų151.5 Ų51.51%0.00526%0.263CS..Hα-helixtrans-62.7-40.5178.9-59.8-18.1000111.9H839 Y840 L845 S846 F870 G871 F872 D1049 T1052H839-N843 PolarHBondContact O-N 2.87Å; H839-N843 PolarHBondContact O-ND2 3.01Å; H839-N843 PolarHBondContact O-OD1 3.47Å; Y840-N843 WeakPolarHBondContact O-CB 3.27Å; Y840-N843 PolarHBondContact O-N 3.2Å; Y840-N843 VanDerWaalsContact O-N 3.11Å; N843-L845 PolarHBondContact O-N 3.43Å; N843-S846 VanDerWaalsContact O-CB 3.25Å; N843-S846 WeakPolarHBondContact O-CB 3.31Å; N843-S846 PolarHBondContact O-N 2.93Å; N843-F870 WeakPolarHBondContact CB-O 3.3Å; N843-F870 PolarHBondContact ND2-O 2.9Å; N843-G871 CarbonylContact C-O 3.54Å; N843-F872 HydrophobicContact CB-CD2 4.24Å; N843-F872 HydrophobicContact CB-CE1 4.09Å; N843-F872 HydrophobicContact CB-CE2 3.77Å; N843-F872 HydrophobicContact CB-CZ 3.65Å; N843-F872 VanDerWaalsContact CG-CE2 3.49Å; N843-F872 VanDerWaalsContact OD1-CZ 3.28Å; N843-F872 WeakPolarHBondContact OD1-CZ 3.32Å; N843-D1049 PolarHBondContact ND2-OD1 3.39Å; N843-D1049 PolarHBondContact OD1-OD1 2.96Å; N843-T1052 WeakPolarHBondContact OD1-CB 3.47Å; N843-T1052 PolarHBondContact OD1-OG1 2.82Å
844L93.9Very high93.9Very high96 Ų9651.5 Ų51.550%0.50326%0.263SS..Hα-helixtrans-58.6-31.7174.3-76.3176.3000113.1Y840 A842 G871Y840-L844 HydrophobicContact CD1-CD1 3.99Å; Y840-L844 HydrophobicContact CD1-CG 4.35Å; Y840-L844 HydrophobicContact CE1-CD1 3.47Å; Y840-L844 VanDerWaalsContact CE1-CD1 3.47Å; Y840-L844 HydrophobicContact CE1-CD2 4.4Å; Y840-L844 HydrophobicContact CE1-CG 3.93Å; Y840-L844 PolarHBondContact O-N 2.97Å; A842-L844 PolarHBondContact O-N 3.12Å; L844-G871 WeakPolarHBondContact CA-O 3.48Å
845L91.7Very high94Very high144 Ų14448 Ų4875%0.75425%0.248SC*.Hα-helixtrans-92.1-9.1179.4-61.5175.4000112.8D841 A842 N843 T847D841-L845 WeakPolarHBondContact O-CG 3.3Å; A842-L845 CarbonylContact O-C 3.57Å; A842-L845 PolarHBondContact O-N 2.74Å; A842-L845 VanDerWaalsContact O-N 3.11Å; N843-L845 PolarHBondContact O-N 3.43Å; L845-T847 PolarHBondContact O-N 3.31Å
846S90.2Very high94.2Very high14 Ų1442.2 Ų42.210%0.09822%0.216CC..  trans-66125.5-176.3-172.40000110.7A842 N843 E848 N876 T1052A842-S846 PolarHBondContact O-N 2.87Å; N843-S846 VanDerWaalsContact O-CB 3.25Å; N843-S846 WeakPolarHBondContact O-CB 3.31Å; N843-S846 PolarHBondContact O-N 2.93Å; S846-E848 PolarHBondContact OG-N 3.4Å; S846-N876 PolarHBondContact O-ND2 3.29Å; S846-T1052 PolarHBondContact OG-OG1 3.38Å
847T88.8Confident94.4Very high109 Ų10941.5 Ų41.567%0.66921%0.213SC*.  trans-101.44.2170.159.90000112.2L845 K849L845-T847 PolarHBondContact O-N 3.31Å; T847-K849 PolarHBondContact O-N 3.21Å
848E87.3Confident94.5Very high40 Ų4041.5 Ų41.519%0.18721%0.213CC..  trans-64.8128.5-176.5-170.861.7-152.700109.9S846 N918S846-E848 PolarHBondContact OG-N 3.4Å; E848-N918 WeakPolarHBondContact OE1-CB 3.4Å; E848-N918 PolarHBondContact OE1-ND2 2.74Å
849K93.5Very high94.7Very high87 Ų8738.1 Ų38.138%0.37820%0.199SC..  trans-87.2125.6177.6-70-177.2-176.2174.90110.6T847 N876 V878 H915 S917T847-K849 PolarHBondContact O-N 3.21Å; K849-N876 CarbonylContact C-O 3.58Å; K849-N876 VanDerWaalsContact CA-O 3.27Å; K849-N876 WeakPolarHBondContact CA-O 3.46Å; K849-V878 HydrophobicContact CD-CG2 4.5Å; K849-H915 WeakPolarHBondContact CD-O 3.21Å; K849-H915 PolarHBondContact NZ-O 3.13Å; K849-S917 WeakPolarHBondContact CB-OG 3.48Å; K849-S917 VanDerWaalsContact O-CB 3.28Å; K849-S917 WeakPolarHBondContact O-CB 3.44Å
850I96.7Very high94.9Very high4 Ų437.1 Ų37.12%0.02120%0.195CC..EExtended strand (participates in β ladder)trans-109.1118.6177.9-56.2177.6000108.2N876 V877 V878 L919 F921 A1048I850-N876 PolarHBondContact N-O 3.41Å; I850-V877 CarbonylContact O-C 3.59Å; I850-V877 WeakPolarHBondContact O-CA 3.38Å; I850-V878 PolarHBondContact O-N 2.72Å; I850-L919 HydrophobicContact CD1-CD2 4.43Å; I850-L919 HydrophobicContact CG1-CD2 4.25Å; I850-F921 HydrophobicContact CD1-CE2 4.05Å; I850-F921 HydrophobicContact CD1-CZ 4.42Å; I850-F921 HydrophobicContact CG2-CB 4.43Å; I850-F921 HydrophobicContact CG2-CD1 4.37Å; I850-F921 HydrophobicContact CG2-CD2 3.55Å; I850-F921 HydrophobicContact CG2-CE2 3.79Å; I850-F921 HydrophobicContact CG2-CG 3.86Å; I850-F921 HydrophobicContact CG2-CZ 4.31Å; I850-A1048 HydrophobicContact CD1-CB 3.74Å
851T98.4Very high94.9Very high0 Ų038.9 Ų38.90%021%0.211CC..EExtended strand (participates in β ladder)trans-80.8129.4170.2-56.20000109.2V878 V880 T911 A912 S917 L919 I920 F921T851-V878 CarbonylContact C-O 3.4Å; T851-V878 WeakPolarHBondContact CA-O 3.16Å; T851-V880 HydrophobicContact CG2-CG2 3.7Å; T851-T911 HydrophobicContact CG2-CG2 4.01Å; T851-A912 HydrophobicContact CG2-CB 4.3Å; T851-A912 VanDerWaalsContact OG1-CA 3.28Å; T851-A912 WeakPolarHBondContact OG1-CA 3.42Å; T851-A912 VanDerWaalsContact OG1-CB 3.29Å; T851-A912 WeakPolarHBondContact OG1-CB 3.45Å; T851-S917 WeakPolarHBondContact OG1-CB 3.34Å; T851-S917 PolarHBondContact OG1-OG 3.23Å; T851-L919 PolarHBondContact N-O 2.83Å; T851-I920 CarbonylContact O-C 3.49Å; T851-I920 VanDerWaalsContact O-CA 3.26Å; T851-I920 WeakPolarHBondContact O-CA 3.21Å; T851-F921 PolarHBondContact O-N 2.91Å
852Y98.3Very high95Very high0 Ų034 Ų340%018%0.183CC..EExtended strand (participates in β ladder)trans-121.5133.5179.5174.7-103000111.7P854 L860 V863 V878 V879 V880 F921 T923Y852-P854 HydrophobicContact CE1-CB 3.88Å; Y852-P854 HydrophobicContact CE1-CG 4.15Å; Y852-L860 HydrophobicContact CD1-CD1 3.57Å; Y852-L860 HydrophobicContact CE1-CB 4.16Å; Y852-L860 HydrophobicContact CE1-CD1 3.54Å; Y852-L860 HydrophobicContact CE1-CG 4.47Å; Y852-V863 HydrophobicContact CD2-CG1 4.02Å; Y852-V863 HydrophobicContact CE1-CB 4.41Å; Y852-V863 HydrophobicContact CE2-CB 4.16Å; Y852-V863 HydrophobicContact CE2-CG1 3.85Å; Y852-V863 HydrophobicContact CE2-CG2 3.92Å; Y852-V863 HydrophobicContact CG-CG1 4.42Å; Y852-V878 PolarHBondContact N-O 3.49Å; Y852-V879 WeakPolarHBondContact O-CA 3.41Å; Y852-V880 PolarHBondContact O-N 3.21Å; Y852-F921 CarbonylContact C-O 3.58Å; Y852-F921 VanDerWaalsContact CA-O 3.31Å; Y852-F921 WeakPolarHBondContact CA-O 3.26Å; Y852-F921 HydrophobicContact CD2-CB 3.96Å; Y852-T923 HydrophobicContact CE2-CG2 3.95Å; Y852-T923 PolarHBondContact OH-OG1 3Å
853S98.1Very high95.3Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-127.2123.8170.4-175.40000112L855 Q883 F921 C922 T923S853-L855 VanDerWaalsContact C-N 3.26Å; S853-L855 PolarHBondContact OG-N 3.4Å; S853-Q883 WeakPolarHBondContact OG-CB 3.41Å; S853-Q883 PolarHBondContact OG-OE1 3.04Å; S853-F921 PolarHBondContact N-O 3.27Å; S853-C922 VanDerWaalsContact O-CA 3.25Å; S853-C922 WeakPolarHBondContact O-CA 3.22Å; S853-T923 PolarHBondContact O-N 2.88Å
854P97.5Very high95.3Very high0 Ų035.3 Ų35.30%019%0.187CC..  trans-85.45.2171.536.2-35.1000112.8Y852 H856 G857 L860 Q883 T923Y852-P854 HydrophobicContact CE1-CB 3.88Å; Y852-P854 HydrophobicContact CE1-CG 4.15Å; P854-H856 VanDerWaalsContact C-N 3.34Å; P854-H856 PolarHBondContact O-N 2.85Å; P854-G857 VanDerWaalsContact O-CA 3.22Å; P854-G857 WeakPolarHBondContact O-CA 3.35Å; P854-G857 PolarHBondContact O-N 2.75Å; P854-L860 HydrophobicContact CB-CB 4.38Å; P854-L860 HydrophobicContact CG-CB 4.2Å; P854-Q883 WeakPolarHBondContact CG-O 3.42Å; P854-T923 CarbonylContact C-O 3.52Å; P854-T923 VanDerWaalsContact C-O 3.29Å
855L96.8Very high95.4Very high0 Ų032 Ų320%017%0.174CC..THydrogen-bonded Turntrans5144.8-176.1-57.2-173.4000114.6S853 G857 F890 L893 L898 T923S853-L855 VanDerWaalsContact C-N 3.26Å; S853-L855 PolarHBondContact OG-N 3.4Å; L855-G857 PolarHBondContact O-N 3.09Å; L855-F890 WeakPolarHBondContact O-CD1 3.25Å; L855-L893 HydrophobicContact CB-CD1 3.81Å; L855-L893 HydrophobicContact CD1-CD1 4.29Å; L855-L893 HydrophobicContact CD2-CD1 3.78Å; L855-L893 HydrophobicContact CG-CD1 4.17Å; L855-L898 HydrophobicContact CD1-CD2 3.47Å; L855-L898 VanDerWaalsContact CD1-CD2 3.47Å; L855-L898 HydrophobicContact CD1-CG 4.05Å; L855-L898 HydrophobicContact CG-CD2 4.35Å; L855-T923 WeakPolarHBondContact CG-O 3.37Å
856H97.4Very high95.6Very high4 Ų425.2 Ų25.22%0.01914%0.138CC..THydrogen-bonded Turntrans61.423.6-170.9-46.9-90.9000114.4C713 P854 E882 Q883 E885 A886 N887 F890 P891 T892C713-H856 PolarHBondContact SG-O 2.91Å; C713-H856 VanDerWaalsContact SG-O 3.34Å; P854-H856 VanDerWaalsContact C-N 3.34Å; P854-H856 PolarHBondContact O-N 2.85Å; H856-E882 PolarHBondContact CE1-O 3.44Å; H856-Q883 WeakPolarHBondContact CA-O 3.34Å; H856-Q883 PolarHBondContact N-O 3.06Å; H856-E885 WeakPolarHBondContact CA-O 3.42Å; H856-A886 CarbonylContact O-C 3Å; H856-A886 VanDerWaalsContact O-CA 3.25Å; H856-A886 WeakPolarHBondContact O-CA 3.29Å; H856-N887 HydrophobicContact CB-CB 3.95Å; H856-N887 PolarHBondContact O-N 3.05Å; H856-F890 HydrophobicContact CB-CD1 3.84Å; H856-F890 HydrophobicContact CB-CE1 4.33Å; H856-P891 VanDerWaalsContact CE1-CD 3.5Å; H856-P891 WeakPolarHBondContact CE1-CD 3.43Å; H856-T892 PolarHBondContact NE2-OG1 3.07Å
857G97Very high95.9Very high2 Ų224.7 Ų24.72%0.02113%0.134CC..SBendtrans-91.1-172.5177.500000114.7P854 L855 P925P854-G857 VanDerWaalsContact O-CA 3.22Å; P854-G857 WeakPolarHBondContact O-CA 3.35Å; P854-G857 PolarHBondContact O-N 2.75Å; L855-G857 PolarHBondContact O-N 3.09Å; G857-P925 WeakPolarHBondContact CA-O 3.48Å
858V97.1Very high96.2Very high16 Ų1625.9 Ų25.910%0.09713%0.13CC..SBendtrans-103.32.3-173.2-57.50000113.9C713 A741 I742 P743 L860 A886 P925C713-V858 HydrophobicContact CB-CG1 3.9Å; A741-V858 HydrophobicContact CB-CG1 3.63Å; I742-V858 WeakPolarHBondContact O-CG2 3.1Å; P743-V858 HydrophobicContact CG-CG2 4.11Å; V858-L860 PolarHBondContact O-N 2.84Å; V858-A886 HydrophobicContact CG1-CB 4.16Å; V858-P925 WeakPolarHBondContact CG2-O 3.23Å; V858-P925 PolarHBondContact N-O 3.38Å
859G96.6Very high96.6Very high0 Ų026.8 Ų26.80%013%0.134CC..  trans-72.4-21.7-17600000115.9N861 F862 V863G859-N861 PolarHBondContact O-N 3.49Å; G859-F862 PolarHBondContact O-N 3.33Å; G859-F862 VanDerWaalsContact O-N 3.09Å; G859-V863 WeakPolarHBondContact O-CG2 3.26Å; G859-V863 PolarHBondContact O-N 3.21Å
860L97.4Very high96.7Very high26 Ų2622.7 Ų22.714%0.13612%0.116CC..Hα-helixtrans-51.8-54.8-166.3177.861.5000114.5Y852 P854 V858 F862 V863 L864 V879 A884Y852-L860 HydrophobicContact CD1-CD1 3.57Å; Y852-L860 HydrophobicContact CE1-CB 4.16Å; Y852-L860 HydrophobicContact CE1-CD1 3.54Å; Y852-L860 HydrophobicContact CE1-CG 4.47Å; P854-L860 HydrophobicContact CB-CB 4.38Å; P854-L860 HydrophobicContact CG-CB 4.2Å; V858-L860 PolarHBondContact O-N 2.84Å; L860-F862 VanDerWaalsContact C-N 3.27Å; L860-F862 PolarHBondContact O-N 3.18Å; L860-V863 PolarHBondContact O-N 2.97Å; L860-L864 HydrophobicContact CD1-CD1 3.84Å; L860-L864 HydrophobicContact CD1-CG 4.11Å; L860-L864 HydrophobicContact CG-CD1 4.2Å; L860-L864 WeakPolarHBondContact O-CG 3.11Å; L860-L864 PolarHBondContact O-N 3.28Å; L860-V879 HydrophobicContact CD1-CB 4.43Å; L860-V879 HydrophobicContact CD1-CG1 3.72Å; L860-V879 HydrophobicContact CD1-CG2 3.77Å; L860-V879 HydrophobicContact CD2-CG1 4.18Å; L860-A884 HydrophobicContact CD2-CB 4.08Å
861N95.4Very high96.7Very high123 Ų12322.8 Ų22.866%0.65812%0.119SC*.Hα-helixtrans-66.3-33.6-175.8-67.8-26.6000111.9G859 A865G859-N861 PolarHBondContact O-N 3.49Å; N861-A865 VanDerWaalsContact O-CB 3.26Å; N861-A865 WeakPolarHBondContact O-CB 3.22Å; N861-A865 PolarHBondContact O-N 2.88Å
862F96.5Very high96.5Very high23 Ų2323.2 Ų23.210%0.10112%0.12CC..Hα-helixtrans-73.9-42.5179.6-64.9-91.1000111.5I742 P743 I746 L822 S826 G859 L860 A865 V866 I1041I742-F862 HydrophobicContact CG2-CZ 4.1Å; P743-F862 VanDerWaalsContact CD-CD2 3.49Å; P743-F862 HydrophobicContact CG-CD2 3.62Å; P743-F862 HydrophobicContact CG-CE2 3.97Å; P743-F862 HydrophobicContact CG-CG 4.07Å; I746-F862 HydrophobicContact CD1-CD1 3.69Å; I746-F862 HydrophobicContact CD1-CE1 3.8Å; I746-F862 HydrophobicContact CG1-CD1 3.85Å; I746-F862 HydrophobicContact CG1-CE1 3.69Å; I746-F862 HydrophobicContact CG1-CZ 4.24Å; I746-F862 HydrophobicContact CG2-CE1 4.34Å; L822-F862 HydrophobicContact CD1-CZ 4.06Å; S826-F862 WeakPolarHBondContact OG-CE1 3.41Å; G859-F862 PolarHBondContact O-N 3.33Å; G859-F862 VanDerWaalsContact O-N 3.09Å; L860-F862 VanDerWaalsContact C-N 3.27Å; L860-F862 PolarHBondContact O-N 3.18Å; F862-A865 PolarHBondContact O-N 2.99Å; F862-V866 WeakPolarHBondContact O-CG2 3.44Å; F862-V866 PolarHBondContact O-N 3.11Å; F862-I1041 HydrophobicContact CB-CD1 3.81Å; F862-I1041 HydrophobicContact CB-CG1 4.27Å; F862-I1041 HydrophobicContact CB-CG2 3.94Å; F862-I1041 HydrophobicContact CG-CD1 4.36Å
863V97.3Very high96.1Very high1 Ų126.2 Ų26.21%0.00614%0.142CC..Hα-helixtrans-62.2-46176171.30000110.7Y852 G859 L860 A865 V866 L867 I1041 C1044Y852-V863 HydrophobicContact CD2-CG1 4.02Å; Y852-V863 HydrophobicContact CE1-CB 4.41Å; Y852-V863 HydrophobicContact CE2-CB 4.16Å; Y852-V863 HydrophobicContact CE2-CG1 3.85Å; Y852-V863 HydrophobicContact CE2-CG2 3.92Å; Y852-V863 HydrophobicContact CG-CG1 4.42Å; G859-V863 WeakPolarHBondContact O-CG2 3.26Å; G859-V863 PolarHBondContact O-N 3.21Å; L860-V863 PolarHBondContact O-N 2.97Å; V863-A865 VanDerWaalsContact C-N 3.32Å; V863-A865 PolarHBondContact O-N 3.19Å; V863-V866 PolarHBondContact O-N 3.08Å; V863-L867 HydrophobicContact CG1-CD1 3.75Å; V863-L867 HydrophobicContact CG1-CG 4.26Å; V863-L867 WeakPolarHBondContact O-CB 3.22Å; V863-L867 VanDerWaalsContact O-CG 3.28Å; V863-L867 WeakPolarHBondContact O-CG 3.46Å; V863-L867 PolarHBondContact O-N 2.88Å; V863-I1041 HydrophobicContact CG2-CB 4.3Å; V863-I1041 HydrophobicContact CG2-CG1 4.22Å; V863-I1041 HydrophobicContact CG2-CG2 4.06Å; V863-C1044 HydrophobicContact CG1-CB 4.06Å
864L96.5Very high95.6Very high52 Ų5230 Ų3027%0.27217%0.166SC..Hα-helixtrans-63.4-38.1177-68.1179.1000112.4L860 K868 V877L860-L864 HydrophobicContact CD1-CD1 3.84Å; L860-L864 HydrophobicContact CD1-CG 4.11Å; L860-L864 HydrophobicContact CG-CD1 4.2Å; L860-L864 WeakPolarHBondContact O-CG 3.11Å; L860-L864 PolarHBondContact O-N 3.28Å; L864-K868 VanDerWaalsContact O-CB 3.32Å; L864-K868 WeakPolarHBondContact O-CB 3.36Å; L864-K868 PolarHBondContact O-N 3.15Å; L864-V877 HydrophobicContact CD2-CB 3.87Å; L864-V877 HydrophobicContact CD2-CG1 3.62Å; L864-V877 HydrophobicContact CD2-CG2 4.2Å
865A95.6Very high95.2Very high28 Ų2833 Ų3323%0.23120%0.197CC..Hα-helixtrans-65.8-46.1177.500000112N861 F862 V863 K868 E869N861-A865 VanDerWaalsContact O-CB 3.26Å; N861-A865 WeakPolarHBondContact O-CB 3.22Å; N861-A865 PolarHBondContact O-N 2.88Å; F862-A865 PolarHBondContact O-N 2.99Å; V863-A865 VanDerWaalsContact C-N 3.32Å; V863-A865 PolarHBondContact O-N 3.19Å; A865-K868 WeakPolarHBondContact O-CB 3.37Å; A865-K868 PolarHBondContact O-N 3.31Å; A865-E869 PolarHBondContact O-N 2.98Å
866V96.4Very high95Very high1 Ų134.5 Ų34.51%0.00621%0.205CC..Hα-helixtrans-70-40178.71770000111.7Y829 S833 F862 V863 K868 E869 F870 I1041 A1045Y829-V866 HydrophobicContact CD1-CG2 4.42Å; Y829-V866 HydrophobicContact CE1-CG2 4Å; S833-V866 WeakPolarHBondContact OG-CG1 3.14Å; F862-V866 WeakPolarHBondContact O-CG2 3.44Å; F862-V866 PolarHBondContact O-N 3.11Å; V863-V866 PolarHBondContact O-N 3.08Å; V866-K868 VanDerWaalsContact C-N 3.28Å; V866-K868 PolarHBondContact O-N 3.07Å; V866-E869 WeakPolarHBondContact O-CB 3.28Å; V866-E869 PolarHBondContact O-N 3.02Å; V866-E869 VanDerWaalsContact O-N 3.1Å; V866-F870 HydrophobicContact CG1-CD2 4.02Å; V866-F870 HydrophobicContact CG1-CE2 3.86Å; V866-F870 WeakPolarHBondContact O-CD2 3.44Å; V866-F870 PolarHBondContact O-N 3.39Å; V866-I1041 HydrophobicContact CB-CG2 4.22Å; V866-I1041 HydrophobicContact CG2-CG2 3.79Å; V866-A1045 HydrophobicContact CB-CB 4.46Å; V866-A1045 HydrophobicContact CG1-CB 3.45Å; V866-A1045 VanDerWaalsContact CG1-CB 3.45Å
867L96Very high94.9Very high3 Ų335 Ų352%0.01621%0.209CC..Hα-helixtrans-59.1-42.3173.7-76.9172.8000111.5V863 E869 F870 G871 F872 V877 A1045 A1048V863-L867 HydrophobicContact CG1-CD1 3.75Å; V863-L867 HydrophobicContact CG1-CG 4.26Å; V863-L867 WeakPolarHBondContact O-CB 3.22Å; V863-L867 VanDerWaalsContact O-CG 3.28Å; V863-L867 WeakPolarHBondContact O-CG 3.46Å; V863-L867 PolarHBondContact O-N 2.88Å; L867-E869 VanDerWaalsContact C-N 3.33Å; L867-E869 PolarHBondContact O-N 3.47Å; L867-F870 PolarHBondContact O-N 3.08Å; L867-G871 PolarHBondContact O-N 2.81Å; L867-F872 HydrophobicContact CB-CB 4.26Å; L867-F872 HydrophobicContact CD2-CD2 3.94Å; L867-F872 HydrophobicContact CD2-CE2 4.48Å; L867-F872 HydrophobicContact CD2-CG 4.37Å; L867-F872 WeakPolarHBondContact O-CB 3.4Å; L867-F872 WeakPolarHBondContact O-CD2 3.49Å; L867-F872 PolarHBondContact O-N 3.1Å; L867-V877 HydrophobicContact CD1-CG2 3.89Å; L867-A1045 HydrophobicContact CD2-CB 4.28Å; L867-A1048 HydrophobicContact CD2-CB 3.48Å; L867-A1048 VanDerWaalsContact CD2-CB 3.48Å
868K94.8Very high94.9Very high133 Ų13335.8 Ų35.858%0.57821%0.213SC*.Hα-helixtrans-61.5-42.5174-177.5-174174.4-170.30111.5L864 A865 V866 F870 G871L864-K868 VanDerWaalsContact O-CB 3.32Å; L864-K868 WeakPolarHBondContact O-CB 3.36Å; L864-K868 PolarHBondContact O-N 3.15Å; A865-K868 WeakPolarHBondContact O-CB 3.37Å; A865-K868 PolarHBondContact O-N 3.31Å; V866-K868 VanDerWaalsContact C-N 3.28Å; V866-K868 PolarHBondContact O-N 3.07Å; K868-F870 PolarHBondContact O-N 3.45Å; K868-G871 PolarHBondContact O-N 2.9Å; K868-G871 VanDerWaalsContact O-N 3.07Å
869E95.6Very high94.9Very high60 Ų6036.7 Ų36.728%0.2822%0.218SC..Hα-helixtrans-60.8-35.1175.6-163.966.2-164.600112Q830 F834 Y840 A865 V866 L867 G871Q830-E869 HydrophobicContact CG-CB 3.79Å; Q830-E869 HydrophobicContact CG-CG 3.93Å; Q830-E869 PolarHBondContact NE2-OE2 3.37Å; F834-E869 HydrophobicContact CB-CG 4.33Å; F834-E869 HydrophobicContact CD2-CG 4.16Å; F834-E869 WeakPolarHBondContact CD2-O 3.43Å; F834-E869 WeakPolarHBondContact CE2-O 3.24Å; Y840-E869 WeakPolarHBondContact CE2-O 3.29Å; A865-E869 PolarHBondContact O-N 2.98Å; V866-E869 WeakPolarHBondContact O-CB 3.28Å; V866-E869 PolarHBondContact O-N 3.02Å; V866-E869 VanDerWaalsContact O-N 3.1Å; L867-E869 VanDerWaalsContact C-N 3.33Å; L867-E869 PolarHBondContact O-N 3.47Å; E869-G871 PolarHBondContact O-N 3.08Å
870F96.3Very high95Very high0 Ų036.7 Ų36.70%022%0.218CC..THydrogen-bonded Turntrans-78.73.7176.9-81.9-138.5000113.3S833 N836 C837 Y840 N843 V866 L867 K868 F872 A1045 I1046 D1049S833-F870 WeakPolarHBondContact O-CE2 3.37Å; S833-F870 WeakPolarHBondContact O-CZ 2.95Å; N836-F870 HydrophobicContact CB-CZ 4.12Å; C837-F870 HydrophobicContact CB-CD1 3.63Å; C837-F870 HydrophobicContact CB-CD2 4.02Å; C837-F870 HydrophobicContact CB-CE1 3.67Å; C837-F870 HydrophobicContact CB-CE2 4.06Å; C837-F870 HydrophobicContact CB-CG 3.82Å; C837-F870 HydrophobicContact CB-CZ 3.89Å; Y840-F870 WeakPolarHBondContact CD2-O 3.43Å; N843-F870 WeakPolarHBondContact CB-O 3.3Å; N843-F870 PolarHBondContact ND2-O 2.9Å; V866-F870 HydrophobicContact CG1-CD2 4.02Å; V866-F870 HydrophobicContact CG1-CE2 3.86Å; V866-F870 WeakPolarHBondContact O-CD2 3.44Å; V866-F870 PolarHBondContact O-N 3.39Å; L867-F870 PolarHBondContact O-N 3.08Å; K868-F870 PolarHBondContact O-N 3.45Å; F870-F872 HydrophobicContact CB-CD2 3.96Å; F870-F872 HydrophobicContact CB-CE2 4.06Å; F870-A1045 HydrophobicContact CD1-CB 3.63Å; F870-A1045 WeakPolarHBondContact CD1-O 3.48Å; F870-A1045 HydrophobicContact CD2-CB 4.19Å; F870-A1045 HydrophobicContact CE1-CB 3.66Å; F870-A1045 HydrophobicContact CE2-CB 4.21Å; F870-A1045 HydrophobicContact CG-CB 3.91Å; F870-A1045 HydrophobicContact CZ-CB 3.95Å; F870-I1046 HydrophobicContact CE1-CG1 4.45Å; F870-D1049 HydrophobicContact CD1-CB 4.33Å
871G95.2Very high94.9Very high7 Ų743.8 Ų43.87%0.07225%0.248CC..THydrogen-bonded Turntrans94.72175.800000114.8Y840 N843 L844 L867 K868 E869Y840-G871 VanDerWaalsContact CE2-CA 3.44Å; N843-G871 CarbonylContact C-O 3.54Å; L844-G871 WeakPolarHBondContact CA-O 3.48Å; L867-G871 PolarHBondContact O-N 2.81Å; K868-G871 PolarHBondContact O-N 2.9Å; K868-G871 VanDerWaalsContact O-N 3.07Å; E869-G871 PolarHBondContact O-N 3.08Å
872F94.6Very high95Very high8 Ų843 Ų434%0.03524%0.241CC..  trans-76.2132.1179.1-67.4-83.8000111.9N843 L867 F870 P874 A1048 T1052N843-F872 HydrophobicContact CB-CD2 4.24Å; N843-F872 HydrophobicContact CB-CE1 4.09Å; N843-F872 HydrophobicContact CB-CE2 3.77Å; N843-F872 HydrophobicContact CB-CZ 3.65Å; N843-F872 VanDerWaalsContact CG-CE2 3.49Å; N843-F872 VanDerWaalsContact OD1-CZ 3.28Å; N843-F872 WeakPolarHBondContact OD1-CZ 3.32Å; L867-F872 HydrophobicContact CB-CB 4.26Å; L867-F872 HydrophobicContact CD2-CD2 3.94Å; L867-F872 HydrophobicContact CD2-CE2 4.48Å; L867-F872 HydrophobicContact CD2-CG 4.37Å; L867-F872 WeakPolarHBondContact O-CB 3.4Å; L867-F872 WeakPolarHBondContact O-CD2 3.49Å; L867-F872 PolarHBondContact O-N 3.1Å; F870-F872 HydrophobicContact CB-CD2 3.96Å; F870-F872 HydrophobicContact CB-CE2 4.06Å; F872-P874 WeakPolarHBondContact O-CD 3.23Å; F872-A1048 HydrophobicContact CD1-CB 4.46Å; F872-A1048 HydrophobicContact CD2-CB 4Å; F872-A1048 HydrophobicContact CE1-CB 3.96Å; F872-A1048 HydrophobicContact CE2-CB 3.43Å; F872-A1048 VanDerWaalsContact CE2-CB 3.43Å; F872-A1048 HydrophobicContact CG-CB 4.5Å; F872-A1048 HydrophobicContact CZ-CB 3.44Å; F872-A1048 VanDerWaalsContact CZ-CB 3.44Å; F872-A1048 WeakPolarHBondContact CZ-O 3.38Å; F872-T1052 WeakPolarHBondContact CE1-OG1 3.49Å
873S91Very high95.1Very high64 Ų6442 Ų4245%0.44824%0.236SC..  trans-66.2127.4172.3-179.20000110.6G875 N876S873-G875 PolarHBondContact O-N 3.46Å; S873-N876 WeakPolarHBondContact O-CB 3.34Å; S873-N876 PolarHBondContact O-N 3Å
874P87.5Confident95.1Very high78 Ų7843 Ų4351%0.50624%0.244SC..G310 helixtrans-55.7-26.9176.1-2734.9000113.8F872 N876 V877F872-P874 WeakPolarHBondContact O-CD 3.23Å; P874-N876 PolarHBondContact O-N 2.94Å; P874-V877 PolarHBondContact O-N 3.18Å
875G88.5Confident95.1Very high63 Ų6347.9 Ų47.965%0.64927%0.266SS*.G310 helixtrans-68.6-17.1177.500000114.5S873S873-G875 PolarHBondContact O-N 3.46Å
876N91.6Very high95.1Very high32 Ų3249.2 Ų49.217%0.17128%0.276CS..G310 helixtrans-88.1-9.4177.1-65.6-12.1000112.4S846 K849 I850 S873 P874S846-N876 PolarHBondContact O-ND2 3.29Å; K849-N876 CarbonylContact C-O 3.58Å; K849-N876 VanDerWaalsContact CA-O 3.27Å; K849-N876 WeakPolarHBondContact CA-O 3.46Å; I850-N876 PolarHBondContact N-O 3.41Å; S873-N876 WeakPolarHBondContact O-CB 3.34Å; S873-N876 PolarHBondContact O-N 3Å; P874-N876 PolarHBondContact O-N 2.94Å
877V95.4Very high95.1Very high16 Ų1651.5 Ų51.510%0.09729%0.289CS..EExtended strand (participates in β ladder)trans-94.6113176.8-1720000109.8I850 L864 L867 P874I850-V877 CarbonylContact O-C 3.59Å; I850-V877 WeakPolarHBondContact O-CA 3.38Å; L864-V877 HydrophobicContact CD2-CB 3.87Å; L864-V877 HydrophobicContact CD2-CG1 3.62Å; L864-V877 HydrophobicContact CD2-CG2 4.2Å; L867-V877 HydrophobicContact CD1-CG2 3.89Å; P874-V877 PolarHBondContact O-N 3.18Å
878V97.1Very high95.1Very high17 Ų1753.2 Ų53.210%0.10330%0.3CS..EExtended strand (participates in β ladder)trans-93.4101.7177.6-1780000109K849 I850 T851 Y852 T911 H915K849-V878 HydrophobicContact CD-CG2 4.5Å; I850-V878 PolarHBondContact O-N 2.72Å; T851-V878 CarbonylContact C-O 3.4Å; T851-V878 WeakPolarHBondContact CA-O 3.16Å; Y852-V878 PolarHBondContact N-O 3.49Å; V878-T911 HydrophobicContact CG1-CG2 3.86Å; V878-H915 HydrophobicContact CB-CB 4.4Å; V878-H915 HydrophobicContact CG1-CB 3.72Å; V878-H915 HydrophobicContact CG2-CB 3.94Å
879V97.7Very high95.1Very high36 Ų3649.7 Ų49.722%0.21829%0.287CS..EExtended strand (participates in β ladder)trans-77132.1178.3-174.60000110.5Y852 L860 K881 A884Y852-V879 WeakPolarHBondContact O-CA 3.41Å; L860-V879 HydrophobicContact CD1-CB 4.43Å; L860-V879 HydrophobicContact CD1-CG1 3.72Å; L860-V879 HydrophobicContact CD1-CG2 3.77Å; L860-V879 HydrophobicContact CD2-CG1 4.18Å; V879-K881 PolarHBondContact O-N 3.46Å; V879-A884 HydrophobicContact CG1-CB 3.61Å
880V98Very high95.1Very high0 Ų046.9 Ų46.90%027%0.274CS..  trans-67.696.7170.2-177.60000108.9T851 Y852 E882 Q883 A884 L907 T911T851-V880 HydrophobicContact CG2-CG2 3.7Å; Y852-V880 PolarHBondContact O-N 3.21Å; V880-E882 VanDerWaalsContact C-N 3.27Å; V880-E882 PolarHBondContact O-N 3.09Å; V880-Q883 HydrophobicContact CB-CB 4.45Å; V880-Q883 HydrophobicContact CG1-CB 4.11Å; V880-Q883 HydrophobicContact CG1-CG 4.34Å; V880-Q883 CarbonylContact O-C 3.51Å; V880-Q883 PolarHBondContact O-N 2.9Å; V880-A884 PolarHBondContact O-N 3.43Å; V880-L907 HydrophobicContact CG1-CD2 4.01Å; V880-L907 HydrophobicContact CG1-CG 3.85Å; V880-T911 HydrophobicContact CG2-CG2 4.09Å
881K97.2Very high95Very high174 Ų17451.1 Ų51.176%0.75730%0.302SS*.Hα-helixtrans-56.5-40.3-169.6-67.7-172.9177.6-173.70113V879 Q883 A884V879-K881 PolarHBondContact O-N 3.46Å; K881-Q883 PolarHBondContact O-N 3.47Å; K881-A884 WeakPolarHBondContact O-CB 3.47Å; K881-A884 PolarHBondContact O-N 2.72Å
882E97.3Very high95Very high108 Ų10853.6 Ų53.651%0.50532%0.316SS..Hα-helixtrans-66.7-16.3-179.1-64.286.8165.200113.5H856 V880 T892 L907H856-E882 PolarHBondContact CE1-O 3.44Å; V880-E882 VanDerWaalsContact C-N 3.27Å; V880-E882 PolarHBondContact O-N 3.09Å; E882-T892 HydrophobicContact CB-CG2 4.49Å; E882-L907 HydrophobicContact CB-CD2 3.66Å; E882-L907 HydrophobicContact CG-CD2 4.37Å
883Q97.5Very high94.8Very high1 Ų154.4 Ų54.41%0.00532%0.32CS..Hα-helixtrans-1193.3178.5-74.1175-23.900112.4S853 P854 H856 V880 K881 T892 L907S853-Q883 WeakPolarHBondContact OG-CB 3.41Å; S853-Q883 PolarHBondContact OG-OE1 3.04Å; P854-Q883 WeakPolarHBondContact CG-O 3.42Å; H856-Q883 WeakPolarHBondContact CA-O 3.34Å; H856-Q883 PolarHBondContact N-O 3.06Å; V880-Q883 HydrophobicContact CB-CB 4.45Å; V880-Q883 HydrophobicContact CG1-CB 4.11Å; V880-Q883 HydrophobicContact CG1-CG 4.34Å; V880-Q883 CarbonylContact O-C 3.51Å; V880-Q883 PolarHBondContact O-N 2.9Å; K881-Q883 PolarHBondContact O-N 3.47Å; Q883-T892 HydrophobicContact CG-CG2 4.38Å; Q883-T892 WeakPolarHBondContact CG-OG1 3.31Å; Q883-T892 PolarHBondContact NE2-OG1 3.49Å; Q883-L907 HydrophobicContact CG-CD2 3.97Å
884A97.2Very high94.4Very high21 Ų2158.1 Ų58.117%0.17433%0.33CS..Hα-helixtrans-74.2-35.8-171.800000113.2L860 V879 V880 K881L860-A884 HydrophobicContact CD2-CB 4.08Å; V879-A884 HydrophobicContact CG1-CB 3.61Å; V880-A884 PolarHBondContact O-N 3.43Å; K881-A884 WeakPolarHBondContact O-CB 3.47Å; K881-A884 PolarHBondContact O-N 2.72Å
885E96.2Very high94.3Very high156 Ų15657.8 Ų57.873%0.72932%0.32SS*.SBendtrans-79.6134.6179.2-68-17417700110.7H856 N887H856-E885 WeakPolarHBondContact CA-O 3.42Å; E885-N887 PolarHBondContact O-N 3.2Å; E885-N887 VanDerWaalsContact O-N 3.17Å
886A96.5Very high94.4Very high55 Ų5554.8 Ų54.846%0.45529%0.289SS..  trans-63.3116.3173.800000110C713 H856 V858C713-A886 HydrophobicContact CB-CB 3.84Å; H856-A886 CarbonylContact O-C 3Å; H856-A886 VanDerWaalsContact O-CA 3.25Å; H856-A886 WeakPolarHBondContact O-CA 3.29Å; V858-A886 HydrophobicContact CG1-CB 4.16Å
887N96.5Very high94.4Very high50 Ų5053.9 Ų53.927%0.26728%0.284SS..  trans-139.5116.7-174.3-170.2-31.8000111.8H856 E885 D889 F890H856-N887 HydrophobicContact CB-CB 3.95Å; H856-N887 PolarHBondContact O-N 3.05Å; E885-N887 PolarHBondContact O-N 3.2Å; E885-N887 VanDerWaalsContact O-N 3.17Å; N887-D889 PolarHBondContact O-N 2.94Å; N887-D889 VanDerWaalsContact O-N 3.11Å; N887-D889 WeakPolarHBondContact OD1-CB 3.5Å; N887-D889 PolarHBondContact OD1-N 2.84Å; N887-F890 PolarHBondContact O-N 3.36Å
888P95.6Very high94.3Very high38 Ų3853.3 Ų53.325%0.24728%0.28CS..THydrogen-bonded Turntrans-61.8-20.1-178.719.4-30.1000115.2C713 R715 F890C713-P888 WeakPolarHBondContact O-CA 3.26Å; C713-P888 WeakPolarHBondContact O-CB 3.45Å; C713-P888 WeakPolarHBondContact O-CD 3.41Å; R715-P888 HydrophobicContact CB-CB 4.49Å; R715-P888 HydrophobicContact CG-CB 3.65Å; R715-P888 HydrophobicContact CG-CG 4.23Å; P888-F890 WeakPolarHBondContact O-CD2 3.47Å; P888-F890 WeakPolarHBondContact O-CE2 3.3Å
889D95Very high93.9Very high59 Ų5953.7 Ų53.732%0.31628%0.281SS..THydrogen-bonded Turntrans-89.1-9.7-174.6-69.1-14.5000113R715 K769 N887R715-D889 IonicContact CZ-OD1 3.51Å; R715-D889 IonicContact NE-OD1 2.74Å; R715-D889 PolarHBondContact NE-OD1 2.88Å; R715-D889 IonicContact NH2-OD1 3.29Å; R715-D889 PolarHBondContact NH2-OD1 3.26Å; R715-D889 IonicContact NH2-OD2 3.42Å; K769-D889 WeakPolarHBondContact CD-O 3.5Å; N887-D889 PolarHBondContact O-N 2.94Å; N887-D889 VanDerWaalsContact O-N 3.11Å; N887-D889 WeakPolarHBondContact OD1-CB 3.5Å; N887-D889 PolarHBondContact OD1-N 2.84Å
890F94.6Very high93.3Very high1 Ų153.2 Ų53.20%0.00428%0.276CS..  trans42.554.6-177.9-51.2-71.5000112.4K769 L855 H856 N887 P888 T892 L893 P896 P925K769-F890 HydrophobicContact CB-CD2 3.93Å; K769-F890 HydrophobicContact CB-CE2 4.31Å; L855-F890 WeakPolarHBondContact O-CD1 3.25Å; H856-F890 HydrophobicContact CB-CD1 3.84Å; H856-F890 HydrophobicContact CB-CE1 4.33Å; N887-F890 PolarHBondContact O-N 3.36Å; P888-F890 WeakPolarHBondContact O-CD2 3.47Å; P888-F890 WeakPolarHBondContact O-CE2 3.3Å; F890-T892 PolarHBondContact O-N 3.46Å; F890-L893 HydrophobicContact CB-CB 4.35Å; F890-L893 CarbonylContact O-C 3.56Å; F890-L893 PolarHBondContact O-N 2.75Å; F890-P896 HydrophobicContact CD1-CB 3.66Å; F890-P896 HydrophobicContact CD1-CG 3.96Å; F890-P896 HydrophobicContact CD2-CB 4.33Å; F890-P896 HydrophobicContact CD2-CG 3.81Å; F890-P896 HydrophobicContact CE1-CB 3.93Å; F890-P896 HydrophobicContact CE1-CG 3.96Å; F890-P896 HydrophobicContact CE2-CG 3.78Å; F890-P896 HydrophobicContact CG-CB 3.92Å; F890-P896 HydrophobicContact CG-CG 3.93Å; F890-P896 HydrophobicContact CZ-CB 4.36Å; F890-P896 HydrophobicContact CZ-CG 3.88Å; F890-P925 HydrophobicContact CD1-CG 4.35Å; F890-P925 HydrophobicContact CE1-CB 3.89Å; F890-P925 HydrophobicContact CE1-CG 3.49Å; F890-P925 VanDerWaalsContact CE1-CG 3.49Å; F890-P925 HydrophobicContact CZ-CB 4.07Å; F890-P925 HydrophobicContact CZ-CG 3.78Å
891P95.1Very high92.7Very high89 Ų8954 Ų5458%0.57829%0.285SS*.THydrogen-bonded Turntrans-58.4-19.8-162.322.4-35.6000115.9H856H856-P891 VanDerWaalsContact CE1-CD 3.5Å; H856-P891 WeakPolarHBondContact CE1-CD 3.43Å
892T94.6Very high92.3Very high60 Ų6051.1 Ų51.137%0.36827%0.274SS..THydrogen-bonded Turntrans-94.3-4.617864.60000113.7H856 E882 Q883 F890 L907H856-T892 PolarHBondContact NE2-OG1 3.07Å; E882-T892 HydrophobicContact CB-CG2 4.49Å; Q883-T892 HydrophobicContact CG-CG2 4.38Å; Q883-T892 WeakPolarHBondContact CG-OG1 3.31Å; Q883-T892 PolarHBondContact NE2-OG1 3.49Å; F890-T892 PolarHBondContact O-N 3.46Å; T892-L907 HydrophobicContact CG2-CD2 3.92Å
893L91.2Very high92Very high25 Ų2552 Ų5213%0.13128%0.276CS..  trans-136.4142.7-169.9-61.2164.8000110.2L855 F890 P896L855-L893 HydrophobicContact CB-CD1 3.81Å; L855-L893 HydrophobicContact CD1-CD1 4.29Å; L855-L893 HydrophobicContact CD2-CD1 3.78Å; L855-L893 HydrophobicContact CG-CD1 4.17Å; F890-L893 HydrophobicContact CB-CB 4.35Å; F890-L893 CarbonylContact O-C 3.56Å; F890-L893 PolarHBondContact O-N 2.75Å; L893-P896 HydrophobicContact CD1-CB 4.37Å
894E82.2Confident91.7Very high141 Ų14152 Ų5266%0.65928%0.276SS*.SBendtrans-80.1-42170.3-166-177.3161.300110.9
895Y85.4Confident91.7Very high72 Ų7251 Ų5128%0.28227%0.268SS..SBendtrans-127.6127.3173.2-54.5-90.4000107.9D897Y895-D897 PolarHBondContact O-N 3.48Å
896P91.8Very high91.7Very high0 Ų049.8 Ų49.80%026%0.26CS..  trans-81.551.4174.138.4-38.4000110.5D767 F890 L893 P925D767-P896 WeakPolarHBondContact O-CD 3.43Å; F890-P896 HydrophobicContact CD1-CB 3.66Å; F890-P896 HydrophobicContact CD1-CG 3.96Å; F890-P896 HydrophobicContact CD2-CB 4.33Å; F890-P896 HydrophobicContact CD2-CG 3.81Å; F890-P896 HydrophobicContact CE1-CB 3.93Å; F890-P896 HydrophobicContact CE1-CG 3.96Å; F890-P896 HydrophobicContact CE2-CG 3.78Å; F890-P896 HydrophobicContact CG-CB 3.92Å; F890-P896 HydrophobicContact CG-CG 3.93Å; F890-P896 HydrophobicContact CZ-CB 4.36Å; F890-P896 HydrophobicContact CZ-CG 3.88Å; L893-P896 HydrophobicContact CD1-CB 4.37Å; P896-P925 HydrophobicContact CB-CG 3.47Å; P896-P925 VanDerWaalsContact CB-CG 3.47Å; P896-P925 HydrophobicContact CG-CG 3.61Å; P896-P925 WeakPolarHBondContact O-CD 3.45Å
897D90.9Very high91.7Very high13 Ų1348.8 Ų48.87%0.0725%0.247CC..  trans-113.3122-176.9-175.9-1.6000109.7H766 Y895 E899 E900H766-D897 HydrophobicContact CB-CB 4.1Å; H766-D897 IonicContact CD2-OD1 3.33Å; H766-D897 IonicContact CD2-OD2 2.95Å; Y895-D897 PolarHBondContact O-N 3.48Å; D897-E899 PolarHBondContact O-N 3.37Å; D897-E899 WeakPolarHBondContact OD1-CB 3.14Å; D897-E899 PolarHBondContact OD1-N 2.65Å; D897-E900 HydrophobicContact CB-CG 4.28Å; D897-E900 VanDerWaalsContact O-CB 3.3Å; D897-E900 WeakPolarHBondContact O-CB 3.46Å; D897-E900 PolarHBondContact O-N 3.3Å; D897-E900 VanDerWaalsContact O-N 3.11Å
898L93.1Very high91.7Very high3 Ų346.4 Ų46.42%0.01623%0.234CC..G310 helixtrans-67.6-23.2178.6-65.8172.1000112.4L855 E900 G901 F905 C922 D924 H929 C931 L1028L855-L898 HydrophobicContact CD1-CD2 3.47Å; L855-L898 VanDerWaalsContact CD1-CD2 3.47Å; L855-L898 HydrophobicContact CD1-CG 4.05Å; L855-L898 HydrophobicContact CG-CD2 4.35Å; L898-E900 PolarHBondContact O-N 2.98Å; L898-G901 PolarHBondContact O-N 2.85Å; L898-G901 VanDerWaalsContact O-N 3.09Å; L898-F905 HydrophobicContact CD2-CE2 4.23Å; L898-C922 WeakPolarHBondContact CD1-O 3.41Å; L898-C922 HydrophobicContact CD2-CB 3.37Å; L898-D924 HydrophobicContact CD1-CB 4.45Å; L898-H929 HydrophobicContact CD1-CB 4.11Å; L898-H929 WeakPolarHBondContact CD1-O 3.48Å; L898-C931 HydrophobicContact CB-CB 4.07Å; L898-C931 HydrophobicContact CD1-CB 3.97Å; L898-C931 HydrophobicContact CD2-CB 4.32Å; L898-C931 HydrophobicContact CG-CB 4.37Å; L898-L1028 HydrophobicContact CB-CD1 3.43Å; L898-L1028 VanDerWaalsContact CB-CD1 3.43Å
899E87.8Confident91.8Very high25 Ų2545.2 Ų45.212%0.11723%0.226CC..G310 helixtrans-66-13.2172.9-62.8-16487.100111.8D897 G901 L1028 F1081 K1167 V1213D897-E899 PolarHBondContact O-N 3.37Å; D897-E899 WeakPolarHBondContact OD1-CB 3.14Å; D897-E899 PolarHBondContact OD1-N 2.65Å; E899-G901 PolarHBondContact O-N 3.4Å; E899-L1028 HydrophobicContact CG-CD1 3.94Å; E899-L1028 HydrophobicContact CG-CG 4.48Å; E899-F1081 WeakPolarHBondContact OE1-CZ 3.42Å; E899-K1167 IonicContact OE1-NZ 3.54Å; E899-K1167 IonicContact OE2-NZ 2.7Å; E899-K1167 PolarHBondContact OE2-NZ 3.17Å; E899-V1213 WeakPolarHBondContact O-CG1 3.48Å
900E85.3Confident91.9Very high27 Ų2747.1 Ų47.113%0.12623%0.232CC..G310 helixtrans-69.7-5.8170.4-69.3-72.5118.300113.4D897 L898 Q902 K903 A904D897-E900 HydrophobicContact CB-CG 4.28Å; D897-E900 VanDerWaalsContact O-CB 3.3Å; D897-E900 WeakPolarHBondContact O-CB 3.46Å; D897-E900 PolarHBondContact O-N 3.3Å; D897-E900 VanDerWaalsContact O-N 3.11Å; L898-E900 PolarHBondContact O-N 2.98Å; E900-Q902 PolarHBondContact O-N 2.93Å; E900-K903 HydrophobicContact CB-CB 4.19Å; E900-K903 HydrophobicContact CB-CD 4.45Å; E900-K903 PolarHBondContact O-N 3.36Å; E900-K903 WeakPolarHBondContact OE2-CD 3.47Å; E900-K903 IonicContact OE2-NZ 3.36Å; E900-K903 PolarHBondContact OE2-NZ 3.37Å; E900-A904 HydrophobicContact CB-CB 4.47Å
901G86.3Confident92.1Very high17 Ų1747.6 Ų47.618%0.17524%0.236CC..THydrogen-bonded Turntrans57.9-119.6171.700000112.8L898 E899 K903 A904 F905L898-G901 PolarHBondContact O-N 2.85Å; L898-G901 VanDerWaalsContact O-N 3.09Å; E899-G901 PolarHBondContact O-N 3.4Å; G901-K903 PolarHBondContact O-N 2.93Å; G901-A904 PolarHBondContact O-N 2.85Å; G901-F905 WeakPolarHBondContact O-CD2 3.31Å; G901-F905 PolarHBondContact O-N 2.74Å; G901-F905 VanDerWaalsContact O-N 3.08Å
902Q88.7Confident92.2Very high113 Ų11343.4 Ų43.453%0.52821%0.208SC..Hα-helixtrans-54.4-30.7-175.6-16964.539.700113.7E900 K906 I909 I943E900-Q902 PolarHBondContact O-N 2.93Å; Q902-K906 PolarHBondContact O-N 2.9Å; Q902-K906 VanDerWaalsContact O-N 3.09Å; Q902-I909 VanDerWaalsContact NE2-CD1 3.3Å; Q902-I943 HydrophobicContact CB-CD1 4.44Å
903K90.3Very high92.3Very high126 Ų12645.3 Ų45.355%0.54821%0.213SC..Hα-helixtrans-67.8-43.2177.4-67.6172.8-175.3173.60111.4E900 G901E900-K903 HydrophobicContact CB-CB 4.19Å; E900-K903 HydrophobicContact CB-CD 4.45Å; E900-K903 PolarHBondContact O-N 3.36Å; E900-K903 WeakPolarHBondContact OE2-CD 3.47Å; E900-K903 IonicContact OE2-NZ 3.36Å; E900-K903 PolarHBondContact OE2-NZ 3.37Å; G901-K903 PolarHBondContact O-N 2.93Å
904A92.5Very high92.6Very high1 Ų152 Ų521%0.00824%0.241CC..Hα-helixtrans-67-38.3177.200000111.6E900 G901E900-A904 HydrophobicContact CB-CB 4.47Å; G901-A904 PolarHBondContact O-N 2.85Å
905F96.2Very high93.2Very high0 Ų049 Ų490%023%0.227CC..Hα-helixtrans-85-5.7-176.7-80.8-102.9000115.2L898 G901 L907 S908 I909 I920 C922 C931 A933 I943L898-F905 HydrophobicContact CD2-CE2 4.23Å; G901-F905 WeakPolarHBondContact O-CD2 3.31Å; G901-F905 PolarHBondContact O-N 2.74Å; G901-F905 VanDerWaalsContact O-N 3.08Å; F905-L907 VanDerWaalsContact C-N 3.32Å; F905-L907 PolarHBondContact O-N 3.46Å; F905-S908 WeakPolarHBondContact CA-OG 3.45Å; F905-S908 PolarHBondContact O-N 2.68Å; F905-S908 PolarHBondContact O-OG 2.87Å; F905-I909 HydrophobicContact CB-CD1 3.97Å; F905-I909 HydrophobicContact CB-CG1 4.35Å; F905-I909 WeakPolarHBondContact O-CB 3.48Å; F905-I909 VanDerWaalsContact O-CG1 3.31Å; F905-I909 WeakPolarHBondContact O-CG1 3.46Å; F905-I909 PolarHBondContact O-N 2.72Å; F905-I920 HydrophobicContact CD1-CB 4.47Å; F905-I920 HydrophobicContact CD1-CG2 3.83Å; F905-I920 HydrophobicContact CE1-CB 4.37Å; F905-I920 HydrophobicContact CE1-CG2 3.78Å; F905-C922 HydrophobicContact CE1-CB 4.24Å; F905-C922 VanDerWaalsContact CE1-SG 3.54Å; F905-C922 HydrophobicContact CE2-CB 4.32Å; F905-C922 HydrophobicContact CZ-CB 3.87Å; F905-C931 HydrophobicContact CE2-CB 4.02Å; F905-C931 HydrophobicContact CZ-CB 3.82Å; F905-A933 HydrophobicContact CD1-CB 3.83Å; F905-A933 HydrophobicContact CE1-CB 3.77Å; F905-I943 HydrophobicContact CB-CD1 3.79Å; F905-I943 HydrophobicContact CB-CG1 4.49Å; F905-I943 HydrophobicContact CD1-CG1 4.45Å; F905-I943 HydrophobicContact CD2-CD1 4.08Å; F905-I943 HydrophobicContact CD2-CG2 4.09Å; F905-I943 HydrophobicContact CE2-CG2 3.89Å; F905-I943 HydrophobicContact CG-CD1 3.9Å; F905-I943 HydrophobicContact CG-CG1 4.24Å; F905-I943 HydrophobicContact CZ-CG2 4.16Å
906K95.6Very high93.6Very high131 Ų13148 Ų4857%0.5724%0.238SC*.Hα-helixtrans-53-47.4-173.6-179.2-178174.6-173.90112.9Q902 Q910Q902-K906 PolarHBondContact O-N 2.9Å; Q902-K906 VanDerWaalsContact O-N 3.09Å; K906-Q910 WeakPolarHBondContact O-CG 3.47Å; K906-Q910 PolarHBondContact O-N 3.33Å
907L96.7Very high93.7Very high34 Ų3448 Ų4818%0.17824%0.238CC..Hα-helixtrans-79.5-34.2-175.5-169.459.1000112.6V880 E882 Q883 T892 F905 Q910 T911V880-L907 HydrophobicContact CG1-CD2 4.01Å; V880-L907 HydrophobicContact CG1-CG 3.85Å; E882-L907 HydrophobicContact CB-CD2 3.66Å; E882-L907 HydrophobicContact CG-CD2 4.37Å; Q883-L907 HydrophobicContact CG-CD2 3.97Å; T892-L907 HydrophobicContact CG2-CD2 3.92Å; F905-L907 VanDerWaalsContact C-N 3.32Å; F905-L907 PolarHBondContact O-N 3.46Å; L907-Q910 PolarHBondContact O-N 3.45Å; L907-T911 PolarHBondContact O-N 2.88Å; L907-T911 PolarHBondContact O-OG1 3.05Å
908S97.6Very high93.9Very high0 Ų050.7 Ų50.70%025%0.253CS..Hα-helixtrans-68.8-35.8175.355.40000111.8F905 T911 A912 I920F905-S908 WeakPolarHBondContact CA-OG 3.45Å; F905-S908 PolarHBondContact O-N 2.68Å; F905-S908 PolarHBondContact O-OG 2.87Å; S908-T911 PolarHBondContact O-N 2.79Å; S908-A912 VanDerWaalsContact O-CB 3.29Å; S908-A912 WeakPolarHBondContact O-CB 3.42Å; S908-A912 PolarHBondContact O-N 3.32Å; S908-I920 WeakPolarHBondContact OG-CG2 3.37Å
909I97.9Very high94Very high13 Ų1350.8 Ų50.87%0.06725%0.253CS..Hα-helixtrans-60.2-48.4170.7-75168.2000111.3Q902 F905 T911 A912 E913 I920 W941Q902-I909 VanDerWaalsContact NE2-CD1 3.3Å; F905-I909 HydrophobicContact CB-CD1 3.97Å; F905-I909 HydrophobicContact CB-CG1 4.35Å; F905-I909 WeakPolarHBondContact O-CB 3.48Å; F905-I909 VanDerWaalsContact O-CG1 3.31Å; F905-I909 WeakPolarHBondContact O-CG1 3.46Å; F905-I909 PolarHBondContact O-N 2.72Å; I909-T911 VanDerWaalsContact C-N 3.29Å; I909-T911 PolarHBondContact O-N 3.3Å; I909-A912 PolarHBondContact O-N 2.93Å; I909-E913 WeakPolarHBondContact O-CG 3.2Å; I909-E913 PolarHBondContact O-N 3.3Å; I909-I920 HydrophobicContact CB-CD1 4.26Å; I909-I920 HydrophobicContact CG1-CD1 3.59Å; I909-W941 HydrophobicContact CD1-CB 4.03Å; I909-W941 HydrophobicContact CD1-CG 4.04Å; I909-W941 HydrophobicContact CG1-CB 4.37Å; I909-W941 HydrophobicContact CG1-CD2 4.08Å; I909-W941 HydrophobicContact CG1-CG 3.9Å; I909-W941 HydrophobicContact CG2-CG 4.32Å
910Q97.4Very high94.5Very high98 Ų9849.6 Ų49.646%0.45825%0.248SC..Hα-helixtrans-60.6-40.1177.8-71.2172.7-12.900112.2K906 L907 K914K906-Q910 WeakPolarHBondContact O-CG 3.47Å; K906-Q910 PolarHBondContact O-N 3.33Å; L907-Q910 PolarHBondContact O-N 3.45Å; Q910-K914 WeakPolarHBondContact O-CB 3.27Å; Q910-K914 PolarHBondContact O-N 3.03Å; Q910-K914 VanDerWaalsContact O-N 3.08Å
911T97.9Very high95.1Very high12 Ų1248.4 Ų48.47%0.07424%0.242CC..Hα-helixtrans-67.4-44.4177.1-57.40000111.2T851 V878 V880 L907 S908 I909 E913 K914 H915T851-T911 HydrophobicContact CG2-CG2 4.01Å; V878-T911 HydrophobicContact CG1-CG2 3.86Å; V880-T911 HydrophobicContact CG2-CG2 4.09Å; L907-T911 PolarHBondContact O-N 2.88Å; L907-T911 PolarHBondContact O-OG1 3.05Å; S908-T911 PolarHBondContact O-N 2.79Å; I909-T911 VanDerWaalsContact C-N 3.29Å; I909-T911 PolarHBondContact O-N 3.3Å; T911-E913 PolarHBondContact O-N 2.87Å; T911-K914 PolarHBondContact O-N 3.28Å; T911-H915 PolarHBondContact O-CD2 3.39Å; T911-H915 VanDerWaalsContact O-CD2 3.29Å; T911-H915 PolarHBondContact O-N 3.48Å
912A97.4Very high95.7Very high0 Ų047.6 Ų47.60%023%0.234CC..Hα-helixtrans-61.5-44.4178.600000111.9T851 S908 I909 K914 H915 G916 S917 I920 W941T851-A912 HydrophobicContact CG2-CB 4.3Å; T851-A912 VanDerWaalsContact OG1-CA 3.28Å; T851-A912 WeakPolarHBondContact OG1-CA 3.42Å; T851-A912 VanDerWaalsContact OG1-CB 3.29Å; T851-A912 WeakPolarHBondContact OG1-CB 3.45Å; S908-A912 VanDerWaalsContact O-CB 3.29Å; S908-A912 WeakPolarHBondContact O-CB 3.42Å; S908-A912 PolarHBondContact O-N 3.32Å; I909-A912 PolarHBondContact O-N 2.93Å; A912-K914 PolarHBondContact O-N 2.96Å; A912-H915 PolarHBondContact O-N 3.47Å; A912-G916 WeakPolarHBondContact O-CA 3.31Å; A912-G916 PolarHBondContact O-N 2.88Å; A912-S917 PolarHBondContact O-N 3.29Å; A912-I920 HydrophobicContact CB-CD1 3.79Å; A912-I920 HydrophobicContact CB-CG1 3.68Å; A912-W941 HydrophobicContact CB-CH2 3.51Å; A912-W941 HydrophobicContact CB-CZ2 3.58Å
913E96.7Very high96.2Very high101 Ų10142.2 Ų42.247%0.47221%0.209SC..Hα-helixtrans-63.3-40.2176.1-72.4175.2176.500112.4I909 T911 H915 W941I909-E913 WeakPolarHBondContact O-CG 3.2Å; I909-E913 PolarHBondContact O-N 3.3Å; T911-E913 PolarHBondContact O-N 2.87Å; E913-H915 PolarHBondContact O-N 3.34Å; E913-W941 HydrophobicContact CG-CZ2 4.34Å; E913-W941 PolarHBondContact OE1-NE1 3.09Å; E913-W941 VanDerWaalsContact OE1-NE1 3.09Å
914K96.6Very high96.4Very high165 Ų16536.2 Ų36.272%0.71718%0.182SC*.Hα-helixtrans-65-36.5177.1179.2-178.2175.9-176.60113Q910 T911 A912Q910-K914 WeakPolarHBondContact O-CB 3.27Å; Q910-K914 PolarHBondContact O-N 3.03Å; Q910-K914 VanDerWaalsContact O-N 3.08Å; T911-K914 PolarHBondContact O-N 3.28Å; A912-K914 PolarHBondContact O-N 2.96Å
915H95.4Very high96.6Very high78 Ų7836.1 Ų36.136%0.36118%0.182SC..Hα-helixtrans-100.8-4.9-174.6-72.9-86.3000114.4K849 V878 T911 A912 E913K849-H915 WeakPolarHBondContact CD-O 3.21Å; K849-H915 PolarHBondContact NZ-O 3.13Å; V878-H915 HydrophobicContact CB-CB 4.4Å; V878-H915 HydrophobicContact CG1-CB 3.72Å; V878-H915 HydrophobicContact CG2-CB 3.94Å; T911-H915 PolarHBondContact O-CD2 3.39Å; T911-H915 VanDerWaalsContact O-CD2 3.29Å; T911-H915 PolarHBondContact O-N 3.48Å; A912-H915 PolarHBondContact O-N 3.47Å; E913-H915 PolarHBondContact O-N 3.34Å
916G93.6Very high96.5Very high50 Ų5036.1 Ų36.152%0.51518%0.182SC..THydrogen-bonded Turntrans74.534.817900000113.5A912A912-G916 WeakPolarHBondContact O-CA 3.31Å; A912-G916 PolarHBondContact O-N 2.88Å
917S94.2Very high96.6Very high1 Ų129.9 Ų29.91%0.00716%0.155CC..  trans-87.9139.3174.1-51.70000110.3K849 T851 A912 W941K849-S917 WeakPolarHBondContact CB-OG 3.48Å; K849-S917 VanDerWaalsContact O-CB 3.28Å; K849-S917 WeakPolarHBondContact O-CB 3.44Å; T851-S917 WeakPolarHBondContact OG1-CB 3.34Å; T851-S917 PolarHBondContact OG1-OG 3.23Å; A912-S917 PolarHBondContact O-N 3.29Å; S917-W941 WeakPolarHBondContact O-CH2 3.04Å
918N93.9Very high96.6Very high70 Ų7028.3 Ų28.337%0.37415%0.147SC..SBendtrans-97.4-10.6173.7-54-56.3000113E848 E934 K935 W941E848-N918 WeakPolarHBondContact OE1-CB 3.4Å; E848-N918 PolarHBondContact OE1-ND2 2.74Å; N918-E934 WeakPolarHBondContact O-CA 3.49Å; N918-K935 HydrophobicContact CB-CB 4.29Å; N918-K935 PolarHBondContact O-N 2.82Å; N918-W941 WeakPolarHBondContact O-CZ3 3.35Å
919L96.8Very high96.5Very high5 Ų529 Ų293%0.02615%0.15CC..EExtended strand (participates in β ladder)trans-123.1138.3-178.2-161.863.5000110.6I850 T851 F921 F932 E934 F1061I850-L919 HydrophobicContact CD1-CD2 4.43Å; I850-L919 HydrophobicContact CG1-CD2 4.25Å; T851-L919 PolarHBondContact N-O 2.83Å; L919-F921 HydrophobicContact CD1-CE1 4.08Å; L919-F921 HydrophobicContact CD2-CD1 4.34Å; L919-F921 HydrophobicContact CD2-CE1 3.36Å; L919-F921 HydrophobicContact CD2-CE2 4.44Å; L919-F921 HydrophobicContact CD2-CZ 3.42Å; L919-F921 VanDerWaalsContact CD2-CZ 3.42Å; L919-F921 HydrophobicContact CG-CD1 4.12Å; L919-F921 HydrophobicContact CG-CE1 3.53Å; L919-F921 HydrophobicContact CG-CZ 4.1Å; L919-F932 HydrophobicContact CD1-CD2 3.73Å; L919-F932 HydrophobicContact CD1-CE2 4.16Å; L919-E934 HydrophobicContact CD1-CB 4.37Å; L919-F1061 HydrophobicContact CD1-CD2 4.16Å; L919-F1061 HydrophobicContact CD1-CE2 3.83Å; L919-F1061 HydrophobicContact CD2-CE2 4.26Å
920I98.3Very high96.5Very high0 Ų028.4 Ų28.40%015%0.147CC..EExtended strand (participates in β ladder)trans-125.3124.8175.4-63.2165000108.8T851 F905 S908 I909 A912 F932 A933 W941T851-I920 CarbonylContact O-C 3.49Å; T851-I920 VanDerWaalsContact O-CA 3.26Å; T851-I920 WeakPolarHBondContact O-CA 3.21Å; F905-I920 HydrophobicContact CD1-CB 4.47Å; F905-I920 HydrophobicContact CD1-CG2 3.83Å; F905-I920 HydrophobicContact CE1-CB 4.37Å; F905-I920 HydrophobicContact CE1-CG2 3.78Å; S908-I920 WeakPolarHBondContact OG-CG2 3.37Å; I909-I920 HydrophobicContact CB-CD1 4.26Å; I909-I920 HydrophobicContact CG1-CD1 3.59Å; A912-I920 HydrophobicContact CB-CD1 3.79Å; A912-I920 HydrophobicContact CB-CG1 3.68Å; I920-F932 CarbonylContact O-C 3.47Å; I920-F932 WeakPolarHBondContact O-CA 3.48Å; I920-F932 WeakPolarHBondContact O-CB 3.46Å; I920-A933 HydrophobicContact CB-CB 4.3Å; I920-A933 HydrophobicContact CD1-CB 4.46Å; I920-A933 PolarHBondContact N-O 2.93Å; I920-A933 PolarHBondContact O-N 2.71Å; I920-W941 HydrophobicContact CB-CZ3 4.41Å; I920-W941 HydrophobicContact CD1-CD2 4.02Å; I920-W941 HydrophobicContact CD1-CE3 3.57Å; I920-W941 HydrophobicContact CD1-CH2 3.55Å; I920-W941 HydrophobicContact CD1-CZ2 3.99Å; I920-W941 HydrophobicContact CD1-CZ3 3.33Å; I920-W941 HydrophobicContact CG1-CE3 4.23Å; I920-W941 HydrophobicContact CG1-CH2 3.74Å; I920-W941 HydrophobicContact CG1-CZ3 3.54Å
921F98.3Very high96.5Very high1 Ų123.9 Ų23.90%0.00413%0.126CC..EExtended strand (participates in β ladder)trans-107.5133.3169-66.9-11.4000110.1I850 T851 Y852 S853 L919 F930 F932 C1044 F1047 A1048I850-F921 HydrophobicContact CD1-CE2 4.05Å; I850-F921 HydrophobicContact CD1-CZ 4.42Å; I850-F921 HydrophobicContact CG2-CB 4.43Å; I850-F921 HydrophobicContact CG2-CD1 4.37Å; I850-F921 HydrophobicContact CG2-CD2 3.55Å; I850-F921 HydrophobicContact CG2-CE2 3.79Å; I850-F921 HydrophobicContact CG2-CG 3.86Å; I850-F921 HydrophobicContact CG2-CZ 4.31Å; T851-F921 PolarHBondContact O-N 2.91Å; Y852-F921 CarbonylContact C-O 3.58Å; Y852-F921 VanDerWaalsContact CA-O 3.31Å; Y852-F921 WeakPolarHBondContact CA-O 3.26Å; Y852-F921 HydrophobicContact CD2-CB 3.96Å; S853-F921 PolarHBondContact N-O 3.27Å; L919-F921 HydrophobicContact CD1-CE1 4.08Å; L919-F921 HydrophobicContact CD2-CD1 4.34Å; L919-F921 HydrophobicContact CD2-CE1 3.36Å; L919-F921 HydrophobicContact CD2-CE2 4.44Å; L919-F921 HydrophobicContact CD2-CZ 3.42Å; L919-F921 VanDerWaalsContact CD2-CZ 3.42Å; L919-F921 HydrophobicContact CG-CD1 4.12Å; L919-F921 HydrophobicContact CG-CE1 3.53Å; L919-F921 HydrophobicContact CG-CZ 4.1Å; F921-F930 HydrophobicContact CB-CE2 4.08Å; F921-F930 AromaticContact CD1-CE2 3.96Å; F921-F930 HydrophobicContact CD1-CE2 3.96Å; F921-F930 AromaticContact CD1-CZ 3.95Å; F921-F930 HydrophobicContact CD1-CZ 3.95Å; F921-F930 HydrophobicContact CD2-CE2 4.43Å; F921-F930 HydrophobicContact CE1-CZ 4.13Å; F921-F930 AromaticContact CG-CE2 3.91Å; F921-F930 HydrophobicContact CG-CE2 3.91Å; F921-F930 HydrophobicContact CG-CZ 4.34Å; F921-F932 HydrophobicContact CD1-CB 3.57Å; F921-F932 HydrophobicContact CD1-CG 4.46Å; F921-F932 HydrophobicContact CE1-CB 3.92Å; F921-F932 HydrophobicContact CE1-CG 4.36Å; F921-C1044 HydrophobicContact CD2-CB 4.07Å; F921-C1044 WeakPolarHBondContact CE2-O 3.43Å; F921-F1047 HydrophobicContact CE1-CB 4.13Å; F921-F1047 HydrophobicContact CZ-CB 3.79Å; F921-A1048 HydrophobicContact CE2-CB 4.04Å; F921-A1048 HydrophobicContact CZ-CB 4.42Å
922C98.3Very high96.5Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-128.3137.1174-63.40000109.9S853 L898 F905 C931S853-C922 VanDerWaalsContact O-CA 3.25Å; S853-C922 WeakPolarHBondContact O-CA 3.22Å; L898-C922 WeakPolarHBondContact CD1-O 3.41Å; L898-C922 HydrophobicContact CD2-CB 3.37Å; F905-C922 HydrophobicContact CE1-CB 4.24Å; F905-C922 VanDerWaalsContact CE1-SG 3.54Å; F905-C922 HydrophobicContact CE2-CB 4.32Å; F905-C922 HydrophobicContact CZ-CB 3.87Å; C922-C931 PolarHBondContact N-O 2.87Å; C922-C931 PolarHBondContact O-N 2.9Å
923T98.2Very high96.5Very high0 Ų023.3 Ų23.30%012%0.122CC..EExtended strand (participates in β ladder)trans-119.6151169.462.10000109.9Y852 S853 P854 L855 H929 A1040Y852-T923 HydrophobicContact CE2-CG2 3.95Å; Y852-T923 PolarHBondContact OH-OG1 3Å; S853-T923 PolarHBondContact O-N 2.88Å; P854-T923 CarbonylContact C-O 3.52Å; P854-T923 VanDerWaalsContact C-O 3.29Å; L855-T923 WeakPolarHBondContact CG-O 3.37Å; T923-H929 VanDerWaalsContact CA-O 3.32Å; T923-H929 WeakPolarHBondContact CA-O 3.35Å; T923-A1040 HydrophobicContact CG2-CB 3.62Å
924D95.8Very high96.5Very high0 Ų019.5 Ų19.50%011%0.105CC..  trans-72.6175.6174.182.7-58.2000111.6H766 L898 E926 A927 D928 H929H766-D924 HydrophobicContact CB-CB 4.45Å; L898-D924 HydrophobicContact CD1-CB 4.45Å; D924-E926 VanDerWaalsContact C-N 3.28Å; D924-E926 PolarHBondContact O-N 2.78Å; D924-E926 WeakPolarHBondContact OD2-CG 3.2Å; D924-E926 PolarHBondContact OD2-N 2.59Å; D924-A927 PolarHBondContact O-N 3.43Å; D924-A927 WeakPolarHBondContact OD1-CA 3.47Å; D924-A927 PolarHBondContact OD1-N 3Å; D924-A927 VanDerWaalsContact OD1-N 3.14Å; D924-D928 PolarHBondContact OD1-N 2.66Å; D924-H929 HydrophobicContact CB-CB 3.99Å; D924-H929 PolarHBondContact N-O 3.41Å; D924-H929 PolarHBondContact OD1-N 2.66Å
925P96Very high96.5Very high0 Ų015.1 Ų15.10%09%0.086CC..THydrogen-bonded Turntrans-55.7-34.9-174.2-31.138.4000115.7G857 V858 F890 P896G857-P925 WeakPolarHBondContact CA-O 3.48Å; V858-P925 WeakPolarHBondContact CG2-O 3.23Å; V858-P925 PolarHBondContact N-O 3.38Å; F890-P925 HydrophobicContact CD1-CG 4.35Å; F890-P925 HydrophobicContact CE1-CB 3.89Å; F890-P925 HydrophobicContact CE1-CG 3.49Å; F890-P925 VanDerWaalsContact CE1-CG 3.49Å; F890-P925 HydrophobicContact CZ-CB 4.07Å; F890-P925 HydrophobicContact CZ-CG 3.78Å; P896-P925 HydrophobicContact CB-CG 3.47Å; P896-P925 VanDerWaalsContact CB-CG 3.47Å; P896-P925 HydrophobicContact CG-CG 3.61Å; P896-P925 WeakPolarHBondContact O-CD 3.45Å
926E95Very high96.4Very high0 Ų013.1 Ų13.10%08%0.076CC..THydrogen-bonded Turntrans-98.14.6178.667.1179.4158.700114P743 S744 T763 S765 K775 D924 D928P743-E926 WeakPolarHBondContact CA-O 3.4Å; P743-E926 WeakPolarHBondContact CB-O 3.08Å; S744-E926 PolarHBondContact N-O 2.87Å; S744-E926 VanDerWaalsContact N-O 3.1Å; T763-E926 VanDerWaalsContact CB-OE2 3.3Å; T763-E926 WeakPolarHBondContact CB-OE2 3.45Å; T763-E926 VanDerWaalsContact CG2-OE2 3.28Å; T763-E926 WeakPolarHBondContact CG2-OE2 3.34Å; T763-E926 VanDerWaalsContact OG1-CD 3.26Å; T763-E926 PolarHBondContact OG1-OE2 3.39Å; S765-E926 WeakPolarHBondContact CA-OE1 3.35Å; S765-E926 WeakPolarHBondContact CB-OE1 3.46Å; S765-E926 PolarHBondContact OG-OE1 3.11Å; K775-E926 WeakPolarHBondContact CE-OE1 3.1Å; K775-E926 IonicContact NZ-OE1 3.29Å; K775-E926 PolarHBondContact NZ-OE1 2.9Å; K775-E926 IonicContact NZ-OE2 3.5Å; D924-E926 VanDerWaalsContact C-N 3.28Å; D924-E926 PolarHBondContact O-N 2.78Å; D924-E926 WeakPolarHBondContact OD2-CG 3.2Å; D924-E926 PolarHBondContact OD2-N 2.59Å; E926-D928 VanDerWaalsContact C-N 3.35Å; E926-D928 HydrophobicContact CG-CB 4.49Å; E926-D928 WeakPolarHBondContact CG-OD2 3.33Å; E926-D928 PolarHBondContact O-N 2.59Å
927A97.3Very high96.1Very high0 Ų017.3 Ų17.30%09%0.094CC..SBendtrans52.445.9177.700000114.4P743 D924 A1040 I1041P743-A927 HydrophobicContact CB-CB 4.11Å; P743-A927 HydrophobicContact CG-CB 4.23Å; D924-A927 PolarHBondContact O-N 3.43Å; D924-A927 WeakPolarHBondContact OD1-CA 3.47Å; D924-A927 PolarHBondContact OD1-N 3Å; D924-A927 VanDerWaalsContact OD1-N 3.14Å; A927-A1040 VanDerWaalsContact O-CB 3.25Å; A927-A1040 WeakPolarHBondContact O-CB 3.46Å; A927-A1040 PolarHBondContact O-N 2.75Å; A927-I1041 HydrophobicContact CB-CG1 4.15Å
928D95.1Very high95.9Very high1 Ų122.7 Ų22.71%0.00512%0.123CC..  trans-113.9-19.8170.264.416.6000113.2S744 K775 D924 E926 S1038S744-D928 WeakPolarHBondContact OG-CB 3.49Å; S744-D928 PolarHBondContact OG-OD2 2.79Å; K775-D928 IonicContact NZ-OD2 2.8Å; K775-D928 PolarHBondContact NZ-OD2 2.78Å; D924-D928 PolarHBondContact OD1-N 2.66Å; E926-D928 VanDerWaalsContact C-N 3.35Å; E926-D928 HydrophobicContact CG-CB 4.49Å; E926-D928 WeakPolarHBondContact CG-OD2 3.33Å; E926-D928 PolarHBondContact O-N 2.59Å; D928-S1038 VanDerWaalsContact CB-O 3.25Å; D928-S1038 WeakPolarHBondContact CB-O 3.45Å; D928-S1038 WeakPolarHBondContact O-CB 3.33Å; D928-S1038 PolarHBondContact O-OG 3.15Å
929H95.8Very high95.7Very high14 Ų1421 Ų217%0.06512%0.123CC..BIsolated β-bridgetrans-99134.2169.7-70.4-165.9000110.8H766 L898 T923 D924 A1027 L1028 A1040H766-H929 AromaticContact CE1-CE1 3.42Å; H766-H929 PolarHBondContact CE1-CE1 3.32Å; H766-H929 VanDerWaalsContact CE1-CE1 3.42Å; H766-H929 AromaticContact ND1-CE1 3.51Å; H766-H929 AromaticContact ND1-ND1 3.79Å; L898-H929 HydrophobicContact CD1-CB 4.11Å; L898-H929 WeakPolarHBondContact CD1-O 3.48Å; T923-H929 VanDerWaalsContact CA-O 3.32Å; T923-H929 WeakPolarHBondContact CA-O 3.35Å; D924-H929 HydrophobicContact CB-CB 3.99Å; D924-H929 PolarHBondContact N-O 3.41Å; D924-H929 PolarHBondContact OD1-N 2.66Å; H929-A1027 PolarHBondContact CE1-O 2.97Å; H929-A1027 VanDerWaalsContact CE1-O 3.27Å; H929-A1027 PolarHBondContact ND1-O 2.91Å; H929-L1028 CarbonylContact C-O 3.52Å; H929-L1028 VanDerWaalsContact CA-O 3.25Å; H929-L1028 WeakPolarHBondContact CA-O 3.25Å; H929-L1028 HydrophobicContact CB-CB 4.2Å; H929-A1040 WeakPolarHBondContact O-CB 3.34Å
930F97.8Very high95.5Very high0 Ų029.7 Ų29.70%016%0.155CC..EExtended strand (participates in β ladder)trans-121.9132.2179.5171.7-106.8000111.4F921 F932 I949 L1028 Y1030 A1040 T1043 C1044 F1047F921-F930 HydrophobicContact CB-CE2 4.08Å; F921-F930 AromaticContact CD1-CE2 3.96Å; F921-F930 HydrophobicContact CD1-CE2 3.96Å; F921-F930 AromaticContact CD1-CZ 3.95Å; F921-F930 HydrophobicContact CD1-CZ 3.95Å; F921-F930 HydrophobicContact CD2-CE2 4.43Å; F921-F930 HydrophobicContact CE1-CZ 4.13Å; F921-F930 AromaticContact CG-CE2 3.91Å; F921-F930 HydrophobicContact CG-CE2 3.91Å; F921-F930 HydrophobicContact CG-CZ 4.34Å; F930-F932 HydrophobicContact CE1-CB 4.35Å; F930-F932 AromaticContact CE1-CD1 3.74Å; F930-F932 HydrophobicContact CE1-CD1 3.74Å; F930-F932 HydrophobicContact CE1-CG 4.45Å; F930-F932 HydrophobicContact CE2-CB 4.4Å; F930-F932 HydrophobicContact CZ-CB 3.82Å; F930-F932 AromaticContact CZ-CD1 3.96Å; F930-F932 HydrophobicContact CZ-CD1 3.96Å; F930-F932 HydrophobicContact CZ-CG 4.24Å; F930-I949 HydrophobicContact CD1-CD1 4.44Å; F930-I949 HydrophobicContact CD1-CG2 4.11Å; F930-I949 HydrophobicContact CE1-CG2 4.25Å; F930-L1028 PolarHBondContact N-O 2.81Å; F930-Y1030 HydrophobicContact CB-CD2 4.17Å; F930-Y1030 HydrophobicContact CB-CE2 4.33Å; F930-Y1030 HydrophobicContact CD1-CD2 4.48Å; F930-Y1030 HydrophobicContact CD1-CE2 4.38Å; F930-A1040 HydrophobicContact CB-CB 3.84Å; F930-T1043 HydrophobicContact CB-CG2 4.1Å; F930-T1043 HydrophobicContact CD1-CG2 3.37Å; F930-T1043 HydrophobicContact CE1-CG2 3.88Å; F930-T1043 HydrophobicContact CG-CG2 3.8Å; F930-C1044 WeakPolarHBondContact CD2-SG 3.41Å; F930-C1044 HydrophobicContact CE2-CB 4.26Å; F930-C1044 WeakPolarHBondContact CE2-SG 3.13Å; F930-F1047 HydrophobicContact CD1-CD2 4.29Å; F930-F1047 HydrophobicContact CD1-CE2 4.45Å; F930-F1047 HydrophobicContact CE1-CB 4.3Å; F930-F1047 AromaticContact CE1-CD2 3.43Å; F930-F1047 HydrophobicContact CE1-CD2 3.43Å; F930-F1047 VanDerWaalsContact CE1-CD2 3.43Å; F930-F1047 AromaticContact CE1-CE2 3.83Å; F930-F1047 HydrophobicContact CE1-CE2 3.83Å; F930-F1047 AromaticContact CE1-CG 3.85Å; F930-F1047 HydrophobicContact CE1-CG 3.85Å; F930-F1047 HydrophobicContact CZ-CB 3.96Å; F930-F1047 AromaticContact CZ-CD2 3.96Å; F930-F1047 HydrophobicContact CZ-CD2 3.96Å; F930-F1047 HydrophobicContact CZ-CG 4.01Å
931C97.8Very high95.4Very high3 Ų331.2 Ų31.22%0.0216%0.161CC..EExtended strand (participates in β ladder)trans-140.6148.6169.2-169.70000110L898 F905 C922 F944 L1028L898-C931 HydrophobicContact CB-CB 4.07Å; L898-C931 HydrophobicContact CD1-CB 3.97Å; L898-C931 HydrophobicContact CD2-CB 4.32Å; L898-C931 HydrophobicContact CG-CB 4.37Å; F905-C931 HydrophobicContact CE2-CB 4.02Å; F905-C931 HydrophobicContact CZ-CB 3.82Å; C922-C931 PolarHBondContact N-O 2.87Å; C922-C931 PolarHBondContact O-N 2.9Å; C931-F944 PolarHBondContact SG-O 3.1Å; C931-F944 VanDerWaalsContact SG-O 3.33Å; C931-L1028 HydrophobicContact CB-CD1 4.04Å; C931-L1028 HydrophobicContact CB-CD2 4.05Å
932F97.9Very high95.2Very high0 Ų032.9 Ų32.90%017%0.168CC..EExtended strand (participates in β ladder)trans-135.4160.8176.479.9-84.8000113.2L919 I920 F921 F930 F944 I949 L952 F1047 F1061L919-F932 HydrophobicContact CD1-CD2 3.73Å; L919-F932 HydrophobicContact CD1-CE2 4.16Å; I920-F932 CarbonylContact O-C 3.47Å; I920-F932 WeakPolarHBondContact O-CA 3.48Å; I920-F932 WeakPolarHBondContact O-CB 3.46Å; F921-F932 HydrophobicContact CD1-CB 3.57Å; F921-F932 HydrophobicContact CD1-CG 4.46Å; F921-F932 HydrophobicContact CE1-CB 3.92Å; F921-F932 HydrophobicContact CE1-CG 4.36Å; F930-F932 HydrophobicContact CE1-CB 4.35Å; F930-F932 AromaticContact CE1-CD1 3.74Å; F930-F932 HydrophobicContact CE1-CD1 3.74Å; F930-F932 HydrophobicContact CE1-CG 4.45Å; F930-F932 HydrophobicContact CE2-CB 4.4Å; F930-F932 HydrophobicContact CZ-CB 3.82Å; F930-F932 AromaticContact CZ-CD1 3.96Å; F930-F932 HydrophobicContact CZ-CD1 3.96Å; F930-F932 HydrophobicContact CZ-CG 4.24Å; F932-F944 HydrophobicContact CD1-CB 4.24Å; F932-F944 HydrophobicContact CD1-CD2 4.39Å; F932-F944 HydrophobicContact CD1-CG 4.41Å; F932-F944 AromaticContact CD2-CD2 3.67Å; F932-F944 HydrophobicContact CD2-CD2 3.67Å; F932-F944 AromaticContact CD2-CE2 3.98Å; F932-F944 HydrophobicContact CD2-CE2 3.98Å; F932-F944 HydrophobicContact CD2-CG 4.43Å; F932-F944 HydrophobicContact CE1-CB 3.94Å; F932-F944 HydrophobicContact CE1-CD1 4.3Å; F932-F944 HydrophobicContact CE1-CD2 4.02Å; F932-F944 AromaticContact CE1-CG 3.82Å; F932-F944 HydrophobicContact CE1-CG 3.82Å; F932-F944 HydrophobicContact CE2-CD1 4.39Å; F932-F944 AromaticContact CE2-CD2 3.23Å; F932-F944 HydrophobicContact CE2-CD2 3.23Å; F932-F944 HydrophobicContact CE2-CE1 4.42Å; F932-F944 AromaticContact CE2-CE2 3.26Å; F932-F944 HydrophobicContact CE2-CE2 3.26Å; F932-F944 AromaticContact CE2-CG 3.86Å; F932-F944 HydrophobicContact CE2-CG 3.86Å; F932-F944 AromaticContact CE2-CZ 3.9Å; F932-F944 HydrophobicContact CE2-CZ 3.9Å; F932-F944 HydrophobicContact CG-CD2 4.24Å; F932-F944 HydrophobicContact CZ-CB 4.16Å; F932-F944 AromaticContact CZ-CD1 3.81Å; F932-F944 HydrophobicContact CZ-CD1 3.81Å; F932-F944 AromaticContact CZ-CD2 3.43Å; F932-F944 HydrophobicContact CZ-CD2 3.43Å; F932-F944 VanDerWaalsContact CZ-CD2 3.43Å; F932-F944 HydrophobicContact CZ-CE1 4.04Å; F932-F944 AromaticContact CZ-CE2 3.68Å; F932-F944 HydrophobicContact CZ-CE2 3.68Å; F932-F944 AromaticContact CZ-CG 3.51Å; F932-F944 HydrophobicContact CZ-CG 3.51Å; F932-F944 AromaticContact CZ-CZ 3.99Å; F932-F944 HydrophobicContact CZ-CZ 3.99Å; F932-F944 PolarHBondContact O-N 3.31Å; F932-I949 HydrophobicContact CD1-CD1 4.07Å; F932-I949 HydrophobicContact CD1-CG1 3.97Å; F932-I949 HydrophobicContact CE1-CD1 4.43Å; F932-I949 HydrophobicContact CE1-CG1 3.81Å; F932-L952 HydrophobicContact CE1-CD1 4.45Å; F932-L952 HydrophobicContact CZ-CD1 4.04Å; F932-F1047 HydrophobicContact CD1-CD1 4.1Å; F932-F1047 HydrophobicContact CD1-CE1 4.17Å; F932-F1047 AromaticContact CE1-CD1 3.58Å; F932-F1047 HydrophobicContact CE1-CD1 3.58Å; F932-F1047 AromaticContact CE1-CE1 3.32Å; F932-F1047 HydrophobicContact CE1-CE1 3.32Å; F932-F1047 HydrophobicContact CE1-CG 4.41Å; F932-F1047 AromaticContact CE1-CZ 3.97Å; F932-F1047 HydrophobicContact CE1-CZ 3.97Å; F932-F1047 AromaticContact CZ-CD1 3.88Å; F932-F1047 HydrophobicContact CZ-CD1 3.88Å; F932-F1047 AromaticContact CZ-CE1 3.73Å; F932-F1047 HydrophobicContact CZ-CE1 3.73Å; F932-F1061 HydrophobicContact CE2-CB 4.19Å; F932-F1061 HydrophobicContact CE2-CD1 4.29Å; F932-F1061 AromaticContact CE2-CD2 3.65Å; F932-F1061 HydrophobicContact CE2-CD2 3.65Å; F932-F1061 HydrophobicContact CE2-CE2 4.02Å; F932-F1061 AromaticContact CE2-CG 3.79Å; F932-F1061 HydrophobicContact CE2-CG 3.79Å; F932-F1061 HydrophobicContact CE2-CZ 4.49Å; F932-F1061 HydrophobicContact CZ-CB 4.24Å; F932-F1061 AromaticContact CZ-CD1 3.98Å; F932-F1061 HydrophobicContact CZ-CD1 3.98Å; F932-F1061 HydrophobicContact CZ-CD2 4.18Å; F932-F1061 HydrophobicContact CZ-CE1 4.35Å; F932-F1061 AromaticContact CZ-CG 3.88Å; F932-F1061 HydrophobicContact CZ-CG 3.88Å
933A98Very high95.1Very high0 Ų034.6 Ų34.60%018%0.178CC..EExtended strand (participates in β ladder)trans-132.4143.1173.300000111.2F905 I920 W941 H942 I943F905-A933 HydrophobicContact CD1-CB 3.83Å; F905-A933 HydrophobicContact CE1-CB 3.77Å; I920-A933 HydrophobicContact CB-CB 4.3Å; I920-A933 HydrophobicContact CD1-CB 4.46Å; I920-A933 PolarHBondContact N-O 2.93Å; I920-A933 PolarHBondContact O-N 2.71Å; A933-W941 HydrophobicContact CB-CE3 4.02Å; A933-H942 WeakPolarHBondContact CA-O 3.46Å; A933-I943 HydrophobicContact CB-CB 4.43Å; A933-I943 HydrophobicContact CB-CG1 3.92Å
934E97.1Very high94.9Very high22 Ų2234.7 Ų34.710%0.10318%0.178CC..EExtended strand (participates in β ladder)trans-119.1137.7177.5-177.1-176-126.400110.2N918 L919 Q936 H942 F944 S1060 F1061 C1062N918-E934 WeakPolarHBondContact O-CA 3.49Å; L919-E934 HydrophobicContact CD1-CB 4.37Å; E934-Q936 PolarHBondContact O-N 3.29Å; E934-Q936 PolarHBondContact OE2-NE2 3.06Å; E934-Q936 VanDerWaalsContact OE2-NE2 3.11Å; E934-H942 PolarHBondContact N-O 3.33Å; E934-H942 PolarHBondContact O-N 3.46Å; E934-F944 HydrophobicContact CB-CE2 3.76Å; E934-F944 HydrophobicContact CB-CZ 4.42Å; E934-S1060 WeakPolarHBondContact OE1-CA 3.38Å; E934-S1060 WeakPolarHBondContact OE1-CB 3.48Å; E934-F1061 WeakPolarHBondContact OE1-CD2 3.43Å; E934-F1061 PolarHBondContact OE1-N 3.28Å; E934-F1061 PolarHBondContact OE2-N 3.41Å; E934-C1062 PolarHBondContact OE2-N 2.93Å
935K96.2Very high94.8Very high73 Ų7336.8 Ų36.832%0.31719%0.192SC..EExtended strand (participates in β ladder)trans-78.1120.8174.8-166.5175.5-173.61750110.4N918 W941N918-K935 HydrophobicContact CB-CB 4.29Å; N918-K935 PolarHBondContact O-N 2.82Å; K935-W941 HydrophobicContact CB-CD2 4.22Å; K935-W941 HydrophobicContact CB-CE3 4.09Å; K935-W941 HydrophobicContact CB-CH2 3.89Å; K935-W941 HydrophobicContact CB-CZ2 4.03Å; K935-W941 HydrophobicContact CB-CZ3 3.92Å; K935-W941 HydrophobicContact CD-CZ2 4.07Å; K935-W941 HydrophobicContact CG-CZ2 4.26Å
936Q93.5Very high94.6Very high36 Ų3637 Ų3717%0.16820%0.195CC..  trans-84.1159.3-179.8-58.5-61.7-57.600111.3E934 N938 G939 R940 H942 C1062E934-Q936 PolarHBondContact O-N 3.29Å; E934-Q936 PolarHBondContact OE2-NE2 3.06Å; E934-Q936 VanDerWaalsContact OE2-NE2 3.11Å; Q936-N938 WeakPolarHBondContact CB-OD1 3.43Å; Q936-N938 PolarHBondContact O-N 2.9Å; Q936-G939 WeakPolarHBondContact O-CA 3.47Å; Q936-G939 PolarHBondContact O-N 3.17Å; Q936-R940 WeakPolarHBondContact CB-O 3.43Å; Q936-R940 PolarHBondContact N-O 2.89Å; Q936-H942 HydrophobicContact CG-CB 4Å; Q936-C1062 PolarHBondContact NE2-SG 3.48Å; Q936-C1062 VanDerWaalsContact NE2-SG 3.36Å
937P87.6Confident94.5Very high137 Ų13737.6 Ų37.689%0.8920%0.198SC*.THydrogen-bonded Turntrans-56.4-26179.4-2835.4000115G939P937-G939 PolarHBondContact O-N 2.62Å
938N89.5Confident94.4Very high114 Ų11438.5 Ų38.561%0.6120%0.202SC*.THydrogen-bonded Turntrans-79.24.2175.566.115.7000113.8Q936 R940Q936-N938 WeakPolarHBondContact CB-OD1 3.43Å; Q936-N938 PolarHBondContact O-N 2.9Å; N938-R940 VanDerWaalsContact C-N 3.29Å; N938-R940 PolarHBondContact O-N 3.13Å; N938-R940 VanDerWaalsContact OD1-CB 3.25Å; N938-R940 WeakPolarHBondContact OD1-CB 3.31Å; N938-R940 PolarHBondContact OD1-N 3.43Å
939G89.1Confident94.5Very high36 Ų3638.4 Ų38.437%0.37120%0.202SC..SBendtrans81.3-4.3-178.700000115.2Q936 P937Q936-G939 WeakPolarHBondContact O-CA 3.47Å; Q936-G939 PolarHBondContact O-N 3.17Å; P937-G939 PolarHBondContact O-N 2.62Å
940R92.9Very high94.5Very high186 Ų18637.8 Ų37.870%0.70220%0.199SC*.  trans-83.2152.3176.9-61.5-178.4173.7176.7-1.1111Q936 N938Q936-R940 WeakPolarHBondContact CB-O 3.43Å; Q936-R940 PolarHBondContact N-O 2.89Å; N938-R940 VanDerWaalsContact C-N 3.29Å; N938-R940 PolarHBondContact O-N 3.13Å; N938-R940 VanDerWaalsContact OD1-CB 3.25Å; N938-R940 WeakPolarHBondContact OD1-CB 3.31Å; N938-R940 PolarHBondContact OD1-N 3.43Å
941W95.6Very high94.4Very high33 Ų3337.8 Ų37.813%0.12520%0.199CC..EExtended strand (participates in β ladder)trans-92.1129.7173.8-69.589.3000110.4I909 A912 E913 S917 N918 I920 A933 K935I909-W941 HydrophobicContact CD1-CB 4.03Å; I909-W941 HydrophobicContact CD1-CG 4.04Å; I909-W941 HydrophobicContact CG1-CB 4.37Å; I909-W941 HydrophobicContact CG1-CD2 4.08Å; I909-W941 HydrophobicContact CG1-CG 3.9Å; I909-W941 HydrophobicContact CG2-CG 4.32Å; A912-W941 HydrophobicContact CB-CH2 3.51Å; A912-W941 HydrophobicContact CB-CZ2 3.58Å; E913-W941 HydrophobicContact CG-CZ2 4.34Å; E913-W941 PolarHBondContact OE1-NE1 3.09Å; E913-W941 VanDerWaalsContact OE1-NE1 3.09Å; S917-W941 WeakPolarHBondContact O-CH2 3.04Å; N918-W941 WeakPolarHBondContact O-CZ3 3.35Å; I920-W941 HydrophobicContact CB-CZ3 4.41Å; I920-W941 HydrophobicContact CD1-CD2 4.02Å; I920-W941 HydrophobicContact CD1-CE3 3.57Å; I920-W941 HydrophobicContact CD1-CH2 3.55Å; I920-W941 HydrophobicContact CD1-CZ2 3.99Å; I920-W941 HydrophobicContact CD1-CZ3 3.33Å; I920-W941 HydrophobicContact CG1-CE3 4.23Å; I920-W941 HydrophobicContact CG1-CH2 3.74Å; I920-W941 HydrophobicContact CG1-CZ3 3.54Å; A933-W941 HydrophobicContact CB-CE3 4.02Å; K935-W941 HydrophobicContact CB-CD2 4.22Å; K935-W941 HydrophobicContact CB-CE3 4.09Å; K935-W941 HydrophobicContact CB-CH2 3.89Å; K935-W941 HydrophobicContact CB-CZ2 4.03Å; K935-W941 HydrophobicContact CB-CZ3 3.92Å; K935-W941 HydrophobicContact CD-CZ2 4.07Å; K935-W941 HydrophobicContact CG-CZ2 4.26Å
942H94.8Very high94.5Very high35 Ų3537.6 Ų37.616%0.16220%0.198CC..EExtended strand (participates in β ladder)trans-98.6111168.3-173.972.4000108.2A933 E934 Q936 F944 E948A933-H942 WeakPolarHBondContact CA-O 3.46Å; E934-H942 PolarHBondContact N-O 3.33Å; E934-H942 PolarHBondContact O-N 3.46Å; Q936-H942 HydrophobicContact CG-CB 4Å; H942-F944 AromaticContact CD2-CD1 3.98Å; H942-F944 AromaticContact CD2-CD2 3.79Å; H942-F944 AromaticContact CD2-CE1 3.84Å; H942-F944 AromaticContact CD2-CE2 3.65Å; H942-F944 AromaticContact CD2-CG 3.95Å; H942-F944 AromaticContact CD2-CZ 3.66Å; H942-E948 IonicContact CE1-OE1 2.62Å; H942-E948 IonicContact NE2-OE1 3.92Å; H942-E948 PolarHBondContact NE2-OE1 3.36Å; H942-E948 IonicContact NE2-OE2 3.44Å
943I95.4Very high94.4Very high37 Ų3737.6 Ų37.619%0.1920%0.198CC..EExtended strand (participates in β ladder)trans-86.4118173.7-57.3172.6000106.8Q902 F905 A933Q902-I943 HydrophobicContact CB-CD1 4.44Å; F905-I943 HydrophobicContact CB-CD1 3.79Å; F905-I943 HydrophobicContact CB-CG1 4.49Å; F905-I943 HydrophobicContact CD1-CG1 4.45Å; F905-I943 HydrophobicContact CD2-CD1 4.08Å; F905-I943 HydrophobicContact CD2-CG2 4.09Å; F905-I943 HydrophobicContact CE2-CG2 3.89Å; F905-I943 HydrophobicContact CG-CD1 3.9Å; F905-I943 HydrophobicContact CG-CG1 4.24Å; F905-I943 HydrophobicContact CZ-CG2 4.16Å; A933-I943 HydrophobicContact CB-CB 4.43Å; A933-I943 HydrophobicContact CB-CG1 3.92Å
944F95.5Very high94.4Very high2 Ų237.6 Ų37.61%0.00920%0.198CC..PPolyproline II helixtrans-74.6130.3-175.5-73-101.9000110.5C931 F932 E934 H942 E948 I949 L952 F1061C931-F944 PolarHBondContact SG-O 3.1Å; C931-F944 VanDerWaalsContact SG-O 3.33Å; F932-F944 HydrophobicContact CD1-CB 4.24Å; F932-F944 HydrophobicContact CD1-CD2 4.39Å; F932-F944 HydrophobicContact CD1-CG 4.41Å; F932-F944 AromaticContact CD2-CD2 3.67Å; F932-F944 HydrophobicContact CD2-CD2 3.67Å; F932-F944 AromaticContact CD2-CE2 3.98Å; F932-F944 HydrophobicContact CD2-CE2 3.98Å; F932-F944 HydrophobicContact CD2-CG 4.43Å; F932-F944 HydrophobicContact CE1-CB 3.94Å; F932-F944 HydrophobicContact CE1-CD1 4.3Å; F932-F944 HydrophobicContact CE1-CD2 4.02Å; F932-F944 AromaticContact CE1-CG 3.82Å; F932-F944 HydrophobicContact CE1-CG 3.82Å; F932-F944 HydrophobicContact CE2-CD1 4.39Å; F932-F944 AromaticContact CE2-CD2 3.23Å; F932-F944 HydrophobicContact CE2-CD2 3.23Å; F932-F944 HydrophobicContact CE2-CE1 4.42Å; F932-F944 AromaticContact CE2-CE2 3.26Å; F932-F944 HydrophobicContact CE2-CE2 3.26Å; F932-F944 AromaticContact CE2-CG 3.86Å; F932-F944 HydrophobicContact CE2-CG 3.86Å; F932-F944 AromaticContact CE2-CZ 3.9Å; F932-F944 HydrophobicContact CE2-CZ 3.9Å; F932-F944 HydrophobicContact CG-CD2 4.24Å; F932-F944 HydrophobicContact CZ-CB 4.16Å; F932-F944 AromaticContact CZ-CD1 3.81Å; F932-F944 HydrophobicContact CZ-CD1 3.81Å; F932-F944 AromaticContact CZ-CD2 3.43Å; F932-F944 HydrophobicContact CZ-CD2 3.43Å; F932-F944 VanDerWaalsContact CZ-CD2 3.43Å; F932-F944 HydrophobicContact CZ-CE1 4.04Å; F932-F944 AromaticContact CZ-CE2 3.68Å; F932-F944 HydrophobicContact CZ-CE2 3.68Å; F932-F944 AromaticContact CZ-CG 3.51Å; F932-F944 HydrophobicContact CZ-CG 3.51Å; F932-F944 AromaticContact CZ-CZ 3.99Å; F932-F944 HydrophobicContact CZ-CZ 3.99Å; F932-F944 PolarHBondContact O-N 3.31Å; E934-F944 HydrophobicContact CB-CE2 3.76Å; E934-F944 HydrophobicContact CB-CZ 4.42Å; H942-F944 AromaticContact CD2-CD1 3.98Å; H942-F944 AromaticContact CD2-CD2 3.79Å; H942-F944 AromaticContact CD2-CE1 3.84Å; H942-F944 AromaticContact CD2-CE2 3.65Å; H942-F944 AromaticContact CD2-CG 3.95Å; H942-F944 AromaticContact CD2-CZ 3.66Å; F944-E948 HydrophobicContact CB-CB 4.49Å; F944-E948 HydrophobicContact CD1-CB 3.98Å; F944-I949 HydrophobicContact CB-CD1 4.23Å; F944-I949 HydrophobicContact CB-CG1 3.7Å; F944-L952 HydrophobicContact CD1-CD1 3.95Å; F944-L952 HydrophobicContact CE1-CD1 3.9Å; F944-F1061 HydrophobicContact CE1-CB 3.89Å; F944-F1061 HydrophobicContact CE2-CB 4.17Å; F944-F1061 HydrophobicContact CZ-CB 3.39Å; F944-F1061 HydrophobicContact CZ-CG 4.44Å
945S92.1Very high94.4Very high43 Ų4338.1 Ų38.130%0.30120%0.199SC..PPolyproline II helixtrans-70.7156.9171.965.70000110.9N947 E948 I949S945-N947 PolarHBondContact O-N 3.16Å; S945-N947 VanDerWaalsContact O-N 3.1Å; S945-E948 WeakPolarHBondContact CB-OE2 3.2Å; S945-E948 PolarHBondContact N-OE2 3.01Å; S945-E948 PolarHBondContact O-N 3.32Å; S945-E948 VanDerWaalsContact OG-CG 3.26Å; S945-E948 WeakPolarHBondContact OG-CG 3.48Å; S945-E948 PolarHBondContact OG-N 2.99Å; S945-E948 PolarHBondContact OG-OE2 3.49Å; S945-I949 WeakPolarHBondContact O-CG1 3.42Å; S945-I949 PolarHBondContact O-N 3.44Å
946G93.1Very high94.5Very high6 Ų634.7 Ų34.76%0.06218%0.184CC..Hα-helixtrans-62.1-25.3-177.800000114.8G950 E1026 Y1030G946-G950 PolarHBondContact O-N 3.09Å; G946-E1026 WeakPolarHBondContact CA-O 3.44Å; G946-Y1030 WeakPolarHBondContact CA-OH 2.97Å; G946-Y1030 PolarHBondContact O-OH 2.77Å
947N93.1Very high94.6Very high12 Ų1233.1 Ų33.16%0.06418%0.177CC..Hα-helixtrans-72.3-37.7171.9-76.2-44.6000113S945 T951 S982 E1026S945-N947 PolarHBondContact O-N 3.16Å; S945-N947 VanDerWaalsContact O-N 3.1Å; N947-T951 VanDerWaalsContact O-CB 3.28Å; N947-T951 WeakPolarHBondContact O-CB 3.45Å; N947-T951 PolarHBondContact O-N 3.4Å; N947-T951 PolarHBondContact O-OG1 2.87Å; N947-S982 WeakPolarHBondContact OD1-CB 3.3Å; N947-S982 PolarHBondContact OD1-N 2.86Å; N947-E1026 WeakPolarHBondContact OD1-CB 3.35Å
948E94.4Very high94.9Very high18 Ų1826.7 Ų26.78%0.08414%0.135CC..Hα-helixtrans-67.6-43175.1-67.6167.8130.700110.3H942 F944 S945 T951 L952 L1065H942-E948 IonicContact CE1-OE1 2.62Å; H942-E948 IonicContact NE2-OE1 3.92Å; H942-E948 PolarHBondContact NE2-OE1 3.36Å; H942-E948 IonicContact NE2-OE2 3.44Å; F944-E948 HydrophobicContact CB-CB 4.49Å; F944-E948 HydrophobicContact CD1-CB 3.98Å; S945-E948 WeakPolarHBondContact CB-OE2 3.2Å; S945-E948 PolarHBondContact N-OE2 3.01Å; S945-E948 PolarHBondContact O-N 3.32Å; S945-E948 VanDerWaalsContact OG-CG 3.26Å; S945-E948 WeakPolarHBondContact OG-CG 3.48Å; S945-E948 PolarHBondContact OG-N 2.99Å; S945-E948 PolarHBondContact OG-OE2 3.49Å; E948-T951 WeakPolarHBondContact O-CB 3.34Å; E948-T951 PolarHBondContact O-N 2.69Å; E948-L952 WeakPolarHBondContact O-CB 3.47Å; E948-L952 WeakPolarHBondContact O-CG 3.47Å; E948-L952 PolarHBondContact O-N 3.21Å; E948-L1065 HydrophobicContact CB-CD2 4.08Å; E948-L1065 HydrophobicContact CG-CD2 3.77Å
949I96.9Very high95.1Very high0 Ų023 Ų230%012%0.117CC..Hα-helixtrans-60.6-48.8174.3-59.4176.1000110.3F930 F932 F944 S945 T951 L952 L953 L1028 Y1030 F1047F930-I949 HydrophobicContact CD1-CD1 4.44Å; F930-I949 HydrophobicContact CD1-CG2 4.11Å; F930-I949 HydrophobicContact CE1-CG2 4.25Å; F932-I949 HydrophobicContact CD1-CD1 4.07Å; F932-I949 HydrophobicContact CD1-CG1 3.97Å; F932-I949 HydrophobicContact CE1-CD1 4.43Å; F932-I949 HydrophobicContact CE1-CG1 3.81Å; F944-I949 HydrophobicContact CB-CD1 4.23Å; F944-I949 HydrophobicContact CB-CG1 3.7Å; S945-I949 WeakPolarHBondContact O-CG1 3.42Å; S945-I949 PolarHBondContact O-N 3.44Å; I949-T951 VanDerWaalsContact C-N 3.27Å; I949-T951 PolarHBondContact O-N 2.99Å; I949-L952 PolarHBondContact O-N 2.86Å; I949-L953 VanDerWaalsContact O-CB 3.25Å; I949-L953 WeakPolarHBondContact O-CB 3.3Å; I949-L953 PolarHBondContact O-N 2.87Å; I949-L1028 HydrophobicContact CD1-CD2 3.99Å; I949-Y1030 HydrophobicContact CB-CE1 4.21Å; I949-Y1030 HydrophobicContact CB-CE2 4.39Å; I949-Y1030 WeakPolarHBondContact CB-OH 3.24Å; I949-Y1030 HydrophobicContact CG2-CD1 4.41Å; I949-Y1030 HydrophobicContact CG2-CD2 4.34Å; I949-Y1030 HydrophobicContact CG2-CE1 3.76Å; I949-Y1030 HydrophobicContact CG2-CE2 3.64Å; I949-F1047 HydrophobicContact CB-CZ 4.41Å; I949-F1047 HydrophobicContact CG2-CE2 3.64Å; I949-F1047 HydrophobicContact CG2-CZ 3.59Å
950G96.4Very high95.3Very high0 Ų022.8 Ų22.80%011%0.106CC..Hα-helixtrans-61.9-33.8177.700000113.5G946 T954G946-G950 PolarHBondContact O-N 3.09Å; G950-T954 WeakPolarHBondContact O-CB 3.38Å; G950-T954 PolarHBondContact O-N 3.25Å; G950-T954 PolarHBondContact O-OG1 3.42Å
951T96.5Very high95.2Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-65.8-51.7173.9-66.30000111.4N947 E948 I949 L953 T954 W955 F984 L1065 I1068 Y1069N947-T951 VanDerWaalsContact O-CB 3.28Å; N947-T951 WeakPolarHBondContact O-CB 3.45Å; N947-T951 PolarHBondContact O-N 3.4Å; N947-T951 PolarHBondContact O-OG1 2.87Å; E948-T951 WeakPolarHBondContact O-CB 3.34Å; E948-T951 PolarHBondContact O-N 2.69Å; I949-T951 VanDerWaalsContact C-N 3.27Å; I949-T951 PolarHBondContact O-N 2.99Å; T951-L953 PolarHBondContact O-N 2.82Å; T951-T954 PolarHBondContact O-N 3.25Å; T951-W955 PolarHBondContact O-N 2.82Å; T951-F984 HydrophobicContact CG2-CD1 3.65Å; T951-F984 HydrophobicContact CG2-CD2 4Å; T951-F984 HydrophobicContact CG2-CE1 3.64Å; T951-F984 HydrophobicContact CG2-CE2 3.99Å; T951-F984 HydrophobicContact CG2-CG 3.83Å; T951-F984 HydrophobicContact CG2-CZ 3.83Å; T951-L1065 HydrophobicContact CG2-CD1 3.7Å; T951-I1068 HydrophobicContact CG2-CG2 3.85Å; T951-Y1069 HydrophobicContact CG2-CE1 4.16Å
952L98Very high95Very high0 Ų018.2 Ų18.20%09%0.091CC..Hα-helixtrans-59.2-46.6176.8-75.4168.3000111.4F932 F944 E948 I949 W955 W956 F1047 F1050 F1061 Q1064 L1065 I1068F932-L952 HydrophobicContact CE1-CD1 4.45Å; F932-L952 HydrophobicContact CZ-CD1 4.04Å; F944-L952 HydrophobicContact CD1-CD1 3.95Å; F944-L952 HydrophobicContact CE1-CD1 3.9Å; E948-L952 WeakPolarHBondContact O-CB 3.47Å; E948-L952 WeakPolarHBondContact O-CG 3.47Å; E948-L952 PolarHBondContact O-N 3.21Å; I949-L952 PolarHBondContact O-N 2.86Å; L952-W955 PolarHBondContact O-N 3.46Å; L952-W956 VanDerWaalsContact O-CB 3.29Å; L952-W956 WeakPolarHBondContact O-CB 3.39Å; L952-W956 PolarHBondContact O-N 3.41Å; L952-F1047 HydrophobicContact CB-CE1 4.03Å; L952-F1047 HydrophobicContact CB-CZ 4.05Å; L952-F1047 HydrophobicContact CD1-CE1 4.19Å; L952-F1050 HydrophobicContact CB-CE1 4.02Å; L952-F1050 HydrophobicContact CD2-CE1 4.05Å; L952-F1050 HydrophobicContact CD2-CZ 4.2Å; L952-F1061 HydrophobicContact CD1-CB 4.42Å; L952-F1061 HydrophobicContact CD1-CD1 4.05Å; L952-F1061 HydrophobicContact CD2-CD1 4.49Å; L952-Q1064 HydrophobicContact CD2-CB 4.34Å; L952-Q1064 HydrophobicContact CD2-CG 4.05Å; L952-L1065 HydrophobicContact CD2-CB 4.34Å; L952-L1065 HydrophobicContact CD2-CD1 4.42Å; L952-L1065 HydrophobicContact CG-CD1 4.23Å; L952-I1068 HydrophobicContact CD2-CD1 4.02Å
953L97.5Very high94.7Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-67.5-41.1-178.5-169.361.7000112.2I949 T951 W955 W956 L957 L1022 Y1030 T1043 I1046 F1047I949-L953 VanDerWaalsContact O-CB 3.25Å; I949-L953 WeakPolarHBondContact O-CB 3.3Å; I949-L953 PolarHBondContact O-N 2.87Å; T951-L953 PolarHBondContact O-N 2.82Å; L953-W955 VanDerWaalsContact C-N 3.33Å; L953-W955 PolarHBondContact O-N 2.93Å; L953-W956 PolarHBondContact O-N 2.6Å; L953-L957 HydrophobicContact CD1-CD1 3.88Å; L953-L957 HydrophobicContact CD1-CG 4.05Å; L953-L957 HydrophobicContact CG-CD1 3.88Å; L953-L957 HydrophobicContact CG-CG 4.4Å; L953-L957 WeakPolarHBondContact O-CB 3.27Å; L953-L957 WeakPolarHBondContact O-CG 3.36Å; L953-L957 PolarHBondContact O-N 2.97Å; L953-L1022 HydrophobicContact CB-CD2 4.19Å; L953-L1022 HydrophobicContact CD2-CD1 3.51Å; L953-L1022 HydrophobicContact CD2-CD2 4.01Å; L953-L1022 HydrophobicContact CD2-CG 4.42Å; L953-L1022 HydrophobicContact CG-CD1 4.06Å; L953-L1022 HydrophobicContact CG-CD2 3.89Å; L953-Y1030 HydrophobicContact CD2-CD1 3.77Å; L953-Y1030 HydrophobicContact CD2-CG 3.91Å; L953-T1043 HydrophobicContact CD2-CG2 4.3Å; L953-I1046 HydrophobicContact CD1-CB 4.4Å; L953-I1046 HydrophobicContact CD1-CD1 4.35Å; L953-I1046 HydrophobicContact CD1-CG2 3.55Å; L953-F1047 HydrophobicContact CB-CE2 4.18Å; L953-F1047 HydrophobicContact CB-CZ 4.26Å; L953-F1047 HydrophobicContact CD1-CE2 4.03Å
954T97.4Very high94.1Very high0 Ų023 Ų230%015%0.145CC..Hα-helixtrans-57.1-48.2172.3-660000110.4G950 T951 W958 I975 F984 A985 M988 F994G950-T954 WeakPolarHBondContact O-CB 3.38Å; G950-T954 PolarHBondContact O-N 3.25Å; G950-T954 PolarHBondContact O-OG1 3.42Å; T951-T954 PolarHBondContact O-N 3.25Å; T954-W958 VanDerWaalsContact O-CB 3.23Å; T954-W958 WeakPolarHBondContact O-CB 3.44Å; T954-W958 PolarHBondContact O-N 3.45Å; T954-I975 HydrophobicContact CG2-CD1 3.72Å; T954-F984 HydrophobicContact CG2-CD1 4.37Å; T954-F984 HydrophobicContact CG2-CE1 4.05Å; T954-A985 HydrophobicContact CG2-CB 4.14Å; T954-M988 HydrophobicContact CG2-SD 3.88Å; T954-F994 HydrophobicContact CG2-CZ 4.17Å
955W97.2Very high93.5Very high32 Ų3227.6 Ų27.612%0.12117%0.165CC..Hα-helixtrans-65.3-45.3-179.3179.687.5000112.3T951 L952 L953 T959 M988 F1050 Y1053 Q1064 I1068 Y1072T951-W955 PolarHBondContact O-N 2.82Å; L952-W955 PolarHBondContact O-N 3.46Å; L953-W955 VanDerWaalsContact C-N 3.33Å; L953-W955 PolarHBondContact O-N 2.93Å; W955-T959 HydrophobicContact CZ2-CG2 4.24Å; W955-T959 WeakPolarHBondContact O-CB 3.21Å; W955-T959 PolarHBondContact O-N 2.86Å; W955-T959 PolarHBondContact O-OG1 2.86Å; W955-M988 HydrophobicContact CB-CE 4.4Å; W955-M988 HydrophobicContact CB-SD 4.35Å; W955-M988 HydrophobicContact CG-CE 4.4Å; W955-F1050 HydrophobicContact CE3-CE1 4.4Å; W955-F1050 HydrophobicContact CE3-CE2 4.23Å; W955-F1050 AromaticContact CE3-CZ 3.62Å; W955-F1050 HydrophobicContact CE3-CZ 3.62Å; W955-F1050 AromaticContact CZ3-CE2 3.7Å; W955-F1050 HydrophobicContact CZ3-CE2 3.7Å; W955-F1050 AromaticContact CZ3-CZ 3.58Å; W955-F1050 HydrophobicContact CZ3-CZ 3.58Å; W955-Y1053 HydrophobicContact CH2-CE1 4.37Å; W955-Q1064 HydrophobicContact CZ3-CG 4.31Å; W955-I1068 HydrophobicContact CB-CD1 3.6Å; W955-I1068 HydrophobicContact CB-CG1 4.21Å; W955-I1068 HydrophobicContact CD2-CD1 3.94Å; W955-I1068 HydrophobicContact CD2-CG1 4.17Å; W955-I1068 HydrophobicContact CE3-CD1 4.39Å; W955-I1068 HydrophobicContact CG-CD1 3.57Å; W955-I1068 HydrophobicContact CG-CG1 3.77Å; W955-Y1072 AromaticContact CD1-CE2 3.93Å
956W97.2Very high92.9Very high2 Ų229.4 Ų29.41%0.00817%0.174CC..Hα-helixtrans-62.3-55.5-177.6180-108.8000112.3Y838 H839 L952 L953 W958 T959 N960 I1046 D1049 F1050 Y1053Y838-W956 AromaticContact CD2-NE1 3.91Å; H839-W956 AromaticContact CE1-CH2 3.23Å; H839-W956 WeakPolarHBondContact CE1-CH2 3.37Å; H839-W956 AromaticContact CE1-CZ2 3.77Å; H839-W956 AromaticContact ND1-CH2 3.29Å; H839-W956 VanDerWaalsContact ND1-CH2 3.29Å; H839-W956 WeakPolarHBondContact ND1-CH2 3.15Å; H839-W956 AromaticContact ND1-CZ2 3.47Å; H839-W956 WeakPolarHBondContact ND1-CZ2 3.34Å; L952-W956 VanDerWaalsContact O-CB 3.29Å; L952-W956 WeakPolarHBondContact O-CB 3.39Å; L952-W956 PolarHBondContact O-N 3.41Å; L953-W956 PolarHBondContact O-N 2.6Å; W956-W958 VanDerWaalsContact C-N 3.34Å; W956-W958 PolarHBondContact O-N 2.93Å; W956-T959 PolarHBondContact O-N 3.13Å; W956-N960 VanDerWaalsContact CE3-ND2 3.31Å; W956-N960 PolarHBondContact O-N 2.88Å; W956-N960 PolarHBondContact O-ND2 3.49Å; W956-I1046 VanDerWaalsContact CD1-CG2 3.42Å; W956-D1049 WeakPolarHBondContact CZ2-OD2 3.37Å; W956-F1050 HydrophobicContact CB-CD1 3.88Å; W956-F1050 HydrophobicContact CB-CE1 3.76Å; W956-F1050 HydrophobicContact CB-CZ 4.3Å; W956-F1050 HydrophobicContact CD2-CB 3.94Å; W956-F1050 AromaticContact CD2-CD1 3.89Å; W956-F1050 HydrophobicContact CD2-CD1 3.89Å; W956-F1050 AromaticContact CD2-CD2 3.78Å; W956-F1050 HydrophobicContact CD2-CD2 3.78Å; W956-F1050 HydrophobicContact CD2-CE1 4.3Å; W956-F1050 HydrophobicContact CD2-CE2 4.22Å; W956-F1050 AromaticContact CD2-CG 3.62Å; W956-F1050 HydrophobicContact CD2-CG 3.62Å; W956-F1050 HydrophobicContact CD2-CZ 4.45Å; W956-F1050 HydrophobicContact CE3-CB 4.22Å; W956-F1050 HydrophobicContact CE3-CD1 4.03Å; W956-F1050 AromaticContact CE3-CD2 3.19Å; W956-F1050 HydrophobicContact CE3-CD2 3.19Å; W956-F1050 HydrophobicContact CE3-CE1 4.15Å; W956-F1050 AromaticContact CE3-CE2 3.38Å; W956-F1050 HydrophobicContact CE3-CE2 3.38Å; W956-F1050 AromaticContact CE3-CG 3.57Å; W956-F1050 HydrophobicContact CE3-CG 3.57Å; W956-F1050 AromaticContact CE3-CZ 3.85Å; W956-F1050 HydrophobicContact CE3-CZ 3.85Å; W956-F1050 HydrophobicContact CG-CB 4.44Å; W956-F1050 AromaticContact CG-CD1 3.86Å; W956-F1050 HydrophobicContact CG-CD1 3.86Å; W956-F1050 HydrophobicContact CG-CE1 4.19Å; W956-F1050 HydrophobicContact CG-CG 4.08Å; W956-F1050 HydrophobicContact CH2-CB 4.33Å; W956-F1050 AromaticContact CH2-CD2 3.96Å; W956-F1050 HydrophobicContact CH2-CD2 3.96Å; W956-F1050 HydrophobicContact CH2-CG 4.38Å; W956-F1050 HydrophobicContact CZ2-CB 4.08Å; W956-F1050 HydrophobicContact CZ2-CD2 4.47Å; W956-F1050 HydrophobicContact CZ2-CG 4.45Å; W956-F1050 HydrophobicContact CZ3-CB 4.42Å; W956-F1050 AromaticContact CZ3-CD2 3.31Å; W956-F1050 HydrophobicContact CZ3-CD2 3.31Å; W956-F1050 AromaticContact CZ3-CE2 3.7Å; W956-F1050 HydrophobicContact CZ3-CE2 3.7Å; W956-F1050 AromaticContact CZ3-CG 3.99Å; W956-F1050 HydrophobicContact CZ3-CG 3.99Å; W956-Y1053 VanDerWaalsContact CH2-CB 3.46Å; W956-Y1053 AromaticContact CH2-CD1 4Å; W956-Y1053 HydrophobicContact CH2-CD1 4Å; W956-Y1053 HydrophobicContact CH2-CD2 4.35Å; W956-Y1053 AromaticContact CH2-CG 3.68Å; W956-Y1053 HydrophobicContact CH2-CG 3.68Å; W956-Y1053 AromaticContact CZ3-CD1 3.47Å; W956-Y1053 HydrophobicContact CZ3-CD1 3.47Å; W956-Y1053 VanDerWaalsContact CZ3-CD1 3.47Å; W956-Y1053 HydrophobicContact CZ3-CD2 4.36Å; W956-Y1053 HydrophobicContact CZ3-CE1 4.06Å; W956-Y1053 AromaticContact CZ3-CG 3.63Å; W956-Y1053 HydrophobicContact CZ3-CG 3.63Å
957L95.8Very high91.9Very high2 Ų237 Ų371%0.0121%0.205CC..Hα-helixtrans-63.9-41.5-176.8-67.8174.6000111.2Y838 L953 W961 L1022 P1032 I1046Y838-L957 HydrophobicContact CE2-CD2 4.09Å; L953-L957 HydrophobicContact CD1-CD1 3.88Å; L953-L957 HydrophobicContact CD1-CG 4.05Å; L953-L957 HydrophobicContact CG-CD1 3.88Å; L953-L957 HydrophobicContact CG-CG 4.4Å; L953-L957 WeakPolarHBondContact O-CB 3.27Å; L953-L957 WeakPolarHBondContact O-CG 3.36Å; L953-L957 PolarHBondContact O-N 2.97Å; L957-W961 WeakPolarHBondContact O-CB 3.29Å; L957-W961 PolarHBondContact O-N 3.04Å; L957-L1022 HydrophobicContact CD1-CB 4.02Å; L957-L1022 HydrophobicContact CD1-CD1 4.11Å; L957-L1022 HydrophobicContact CD1-CD2 4.42Å; L957-L1022 HydrophobicContact CD1-CG 4.4Å; L957-P1032 HydrophobicContact CD1-CB 3.85Å; L957-I1046 HydrophobicContact CD2-CD1 4.2Å
958W94.8Very high91.1Very high3 Ų340.1 Ų40.11%0.01123%0.233CC..Hα-helixtrans-64.5-48.2176.3172.1-106.4000112.6T954 W956 N960 W961 K962 T970 V973 M988 E992 F994 L1021T954-W958 VanDerWaalsContact O-CB 3.23Å; T954-W958 WeakPolarHBondContact O-CB 3.44Å; T954-W958 PolarHBondContact O-N 3.45Å; W956-W958 VanDerWaalsContact C-N 3.34Å; W956-W958 PolarHBondContact O-N 2.93Å; W958-N960 VanDerWaalsContact C-N 3.32Å; W958-N960 PolarHBondContact O-N 3.47Å; W958-W961 HydrophobicContact CZ3-CE3 4.43Å; W958-W961 PolarHBondContact O-N 2.89Å; W958-K962 HydrophobicContact CD2-CB 4.41Å; W958-K962 HydrophobicContact CD2-CD 4.16Å; W958-K962 HydrophobicContact CG-CD 4.25Å; W958-K962 HydrophobicContact CZ2-CB 4.37Å; W958-K962 HydrophobicContact CZ2-CD 4.1Å; W958-K962 VanDerWaalsContact O-CB 3.26Å; W958-K962 WeakPolarHBondContact O-CB 3.23Å; W958-K962 VanDerWaalsContact O-CG 3.31Å; W958-K962 WeakPolarHBondContact O-CG 3.22Å; W958-K962 PolarHBondContact O-N 2.84Å; W958-T970 HydrophobicContact CH2-CG2 3.94Å; W958-T970 HydrophobicContact CZ3-CG2 4.47Å; W958-V973 HydrophobicContact CE3-CG1 4.44Å; W958-V973 HydrophobicContact CZ3-CB 4.24Å; W958-V973 HydrophobicContact CZ3-CG1 4.08Å; W958-M988 HydrophobicContact CB-CE 4.14Å; W958-M988 HydrophobicContact CG-CE 3.94Å; W958-E992 HydrophobicContact CZ2-CB 3.76Å; W958-E992 WeakPolarHBondContact CZ2-O 3.05Å; W958-E992 VanDerWaalsContact NE1-CB 3.34Å; W958-E992 PolarHBondContact NE1-OE2 3.33Å; W958-F994 AromaticContact CD2-CD1 3.53Å; W958-F994 HydrophobicContact CD2-CD1 3.53Å; W958-F994 HydrophobicContact CD2-CE1 4.04Å; W958-F994 HydrophobicContact CD2-CG 4.38Å; W958-F994 AromaticContact CE2-CD1 3.66Å; W958-F994 HydrophobicContact CE3-CB 3.95Å; W958-F994 AromaticContact CE3-CD1 3.7Å; W958-F994 HydrophobicContact CE3-CD1 3.7Å; W958-F994 HydrophobicContact CE3-CG 4.1Å; W958-F994 HydrophobicContact CG-CD1 4.05Å; W958-F994 HydrophobicContact CG-CE1 4.07Å; W958-F994 HydrophobicContact CH2-CB 3.7Å; W958-F994 AromaticContact CH2-CD1 3.92Å; W958-F994 HydrophobicContact CH2-CD1 3.92Å; W958-F994 HydrophobicContact CH2-CG 4.31Å; W958-F994 HydrophobicContact CZ2-CB 4.47Å; W958-F994 AromaticContact CZ2-CD1 3.86Å; W958-F994 HydrophobicContact CZ2-CD1 3.86Å; W958-F994 HydrophobicContact CZ3-CB 3.48Å; W958-F994 VanDerWaalsContact CZ3-CB 3.48Å; W958-F994 AromaticContact CZ3-CD1 3.92Å; W958-F994 HydrophobicContact CZ3-CD1 3.92Å; W958-F994 HydrophobicContact CZ3-CG 4.1Å; W958-L1021 HydrophobicContact CE3-CD1 4.05Å
959T93.8Very high90.2Very high37 Ų3744 Ų4423%0.22725%0.251CS..Hα-helixtrans-65.8-37.7-174.1-60.50000111.8W955 W956W955-T959 HydrophobicContact CZ2-CG2 4.24Å; W955-T959 WeakPolarHBondContact O-CB 3.21Å; W955-T959 PolarHBondContact O-N 2.86Å; W955-T959 PolarHBondContact O-OG1 2.86Å; W956-T959 PolarHBondContact O-N 3.13Å
960N93.8Very high89.4Confident30 Ų3044.4 Ų44.416%0.1625%0.253CS..Hα-helixtrans-74.1-48.3174.4-73.6-67.5000112.1Y838 H839 W956 W958 K962 S963Y838-N960 HydrophobicContact CD1-CB 3.52Å; Y838-N960 HydrophobicContact CD2-CB 3.65Å; Y838-N960 HydrophobicContact CE1-CB 3.63Å; Y838-N960 HydrophobicContact CE2-CB 3.79Å; Y838-N960 HydrophobicContact CG-CB 3.5Å; H839-N960 PolarHBondContact CE1-OD1 3.04Å; W956-N960 VanDerWaalsContact CE3-ND2 3.31Å; W956-N960 PolarHBondContact O-N 2.88Å; W956-N960 PolarHBondContact O-ND2 3.49Å; W958-N960 VanDerWaalsContact C-N 3.32Å; W958-N960 PolarHBondContact O-N 3.47Å; N960-K962 VanDerWaalsContact C-N 3.31Å; N960-K962 PolarHBondContact O-N 3.1Å; N960-S963 WeakPolarHBondContact O-CB 3.39Å; N960-S963 PolarHBondContact O-N 2.95Å; N960-S963 VanDerWaalsContact O-N 3.09Å
961W90.8Very high88.7Confident65 Ų6548.1 Ų48.125%0.24627%0.273CS..Hα-helixtrans-62.5-37.1-177.8-174.993.2000113L957 W958 S963 K965 T970 V973 A1019 L1021L957-W961 WeakPolarHBondContact O-CB 3.29Å; L957-W961 PolarHBondContact O-N 3.04Å; W958-W961 HydrophobicContact CZ3-CE3 4.43Å; W958-W961 PolarHBondContact O-N 2.89Å; W961-S963 VanDerWaalsContact C-N 3.26Å; W961-S963 PolarHBondContact O-N 3.25Å; W961-K965 HydrophobicContact CE3-CG 4.5Å; W961-K965 HydrophobicContact CZ3-CG 4.23Å; W961-K965 WeakPolarHBondContact O-CG 3.49Å; W961-T970 HydrophobicContact CZ3-CG2 4.2Å; W961-V973 HydrophobicContact CE3-CG1 4.43Å; W961-V973 HydrophobicContact CE3-CG2 4.21Å; W961-V973 HydrophobicContact CH2-CG2 3.22Å; W961-V973 HydrophobicContact CZ2-CG2 3.96Å; W961-V973 HydrophobicContact CZ3-CB 4.45Å; W961-V973 HydrophobicContact CZ3-CG1 4.37Å; W961-V973 HydrophobicContact CZ3-CG2 3.37Å; W961-A1019 HydrophobicContact CZ2-CB 4.48Å; W961-L1021 HydrophobicContact CB-CD1 3.97Å; W961-L1021 HydrophobicContact CB-CD2 4.13Å; W961-L1021 HydrophobicContact CD2-CD1 4.16Å; W961-L1021 HydrophobicContact CD2-CD2 3.9Å; W961-L1021 HydrophobicContact CE3-CD1 4.39Å; W961-L1021 HydrophobicContact CG-CD1 3.97Å; W961-L1021 HydrophobicContact CG-CD2 3.52Å; W961-L1021 HydrophobicContact CG-CG 4.41Å
962K91.1Very high88.4Confident58 Ų5852.2 Ų52.225%0.25229%0.292SS..THydrogen-bonded Turntrans-74.3-16.2178.985.3-166-172.1-171.70112.9W958 N960 G964 K965 E992W958-K962 HydrophobicContact CD2-CB 4.41Å; W958-K962 HydrophobicContact CD2-CD 4.16Å; W958-K962 HydrophobicContact CG-CD 4.25Å; W958-K962 HydrophobicContact CZ2-CB 4.37Å; W958-K962 HydrophobicContact CZ2-CD 4.1Å; W958-K962 VanDerWaalsContact O-CB 3.26Å; W958-K962 WeakPolarHBondContact O-CB 3.23Å; W958-K962 VanDerWaalsContact O-CG 3.31Å; W958-K962 WeakPolarHBondContact O-CG 3.22Å; W958-K962 PolarHBondContact O-N 2.84Å; N960-K962 VanDerWaalsContact C-N 3.31Å; N960-K962 PolarHBondContact O-N 3.1Å; K962-G964 PolarHBondContact O-N 3.48Å; K962-K965 WeakPolarHBondContact O-CB 3.08Å; K962-K965 PolarHBondContact O-N 2.97Å; K962-E992 IonicContact NZ-OE2 3.76Å; K962-E992 PolarHBondContact NZ-OE2 2.66Å
963S87.7Confident88.2Confident93 Ų9352.3 Ų52.365%0.6529%0.293SS*.THydrogen-bonded Turntrans-59.1123.6-177.1-169.10000110N960 W961 K965N960-S963 WeakPolarHBondContact O-CB 3.39Å; N960-S963 PolarHBondContact O-N 2.95Å; N960-S963 VanDerWaalsContact O-N 3.09Å; W961-S963 VanDerWaalsContact C-N 3.26Å; W961-S963 PolarHBondContact O-N 3.25Å; S963-K965 VanDerWaalsContact C-N 3.28Å; S963-K965 PolarHBondContact O-N 3.33Å
964G82.3Confident88.1Confident81 Ų8152.6 Ų52.684%0.83529%0.294SS*.THydrogen-bonded Turntrans75.62.4-174.800000116.1K962K962-G964 PolarHBondContact O-N 3.48Å
965K84.6Confident88.1Confident98 Ų9852.6 Ų52.643%0.42629%0.294SS..  trans-92146.3176.3-57.8-62.4-174.8-177.80112.2W961 K962 S963 E969 T970W961-K965 HydrophobicContact CE3-CG 4.5Å; W961-K965 HydrophobicContact CZ3-CG 4.23Å; W961-K965 WeakPolarHBondContact O-CG 3.49Å; K962-K965 WeakPolarHBondContact O-CB 3.08Å; K962-K965 PolarHBondContact O-N 2.97Å; S963-K965 VanDerWaalsContact C-N 3.28Å; S963-K965 PolarHBondContact O-N 3.33Å; K965-E969 HydrophobicContact CB-CB 4.48Å; K965-T970 HydrophobicContact CB-CG2 4.33Å
966T78.8Confident88.1Confident81 Ų8151 Ų5150%0.49729%0.288SS..  trans-81.3157171.267.70000111.5A968 E969 T970T966-A968 PolarHBondContact O-N 3.46Å; T966-A968 VanDerWaalsContact O-N 3.14Å; T966-E969 WeakPolarHBondContact CB-OE2 3.48Å; T966-E969 WeakPolarHBondContact CG2-OE2 3.46Å; T966-E969 PolarHBondContact N-OE2 2.88Å; T966-E969 WeakPolarHBondContact O-CB 3.34Å; T966-E969 PolarHBondContact O-N 3.17Å; T966-E969 WeakPolarHBondContact OG1-CG 3.33Å; T966-E969 PolarHBondContact OG1-OE2 3.08Å; T966-T970 PolarHBondContact O-N 2.9Å
967K73Confident88Confident166 Ų16651 Ų5172%0.72229%0.288SS*.THydrogen-bonded Turntrans-59.2-26.1177.6-169.8175.2-178.3176.90113.8T970K967-T970 PolarHBondContact O-OG1 3.34Å
968A74.7Confident87.8Confident77 Ų7751 Ų5164%0.63629%0.288SS*.THydrogen-bonded Turntrans-70.5-36.1176.100000111.7T966 T970T966-A968 PolarHBondContact O-N 3.46Å; T966-A968 VanDerWaalsContact O-N 3.14Å; A968-T970 VanDerWaalsContact C-N 3.25Å; A968-T970 PolarHBondContact O-N 3.27Å
969E76.5Confident87.3Confident98 Ų9850.9 Ų50.946%0.45829%0.288SS..THydrogen-bonded Turntrans-72.4-19178.6-67.1167.5100.600112.7K965 T966K965-E969 HydrophobicContact CB-CB 4.48Å; T966-E969 WeakPolarHBondContact CB-OE2 3.48Å; T966-E969 WeakPolarHBondContact CG2-OE2 3.46Å; T966-E969 PolarHBondContact N-OE2 2.88Å; T966-E969 WeakPolarHBondContact O-CB 3.34Å; T966-E969 PolarHBondContact O-N 3.17Å; T966-E969 WeakPolarHBondContact OG1-CG 3.33Å; T966-E969 PolarHBondContact OG1-OE2 3.08Å
970T80.5Confident86.8Confident9 Ų949.3 Ų49.36%0.05528%0.279CS..THydrogen-bonded Turntrans-89.2-11-177.165.40000114.9W958 W961 K965 T966 K967 A968 E972 V973W958-T970 HydrophobicContact CH2-CG2 3.94Å; W958-T970 HydrophobicContact CZ3-CG2 4.47Å; W961-T970 HydrophobicContact CZ3-CG2 4.2Å; K965-T970 HydrophobicContact CB-CG2 4.33Å; T966-T970 PolarHBondContact O-N 2.9Å; K967-T970 PolarHBondContact O-OG1 3.34Å; A968-T970 VanDerWaalsContact C-N 3.25Å; A968-T970 PolarHBondContact O-N 3.27Å; T970-E972 VanDerWaalsContact C-N 3.33Å; T970-E972 PolarHBondContact O-N 3.29Å; T970-V973 WeakPolarHBondContact O-CG2 3.21Å; T970-V973 PolarHBondContact O-N 2.89Å
971N81.4Confident86.7Confident78 Ų7848 Ų4842%0.41727%0.273SS..THydrogen-bonded Turntrans-70.8-19.9-172.3-78.3-24.1000115.1K995N971-K995 WeakPolarHBondContact O-CE 3.11Å; N971-K995 PolarHBondContact O-NZ 2.75Å
972E89.3Confident86.7Confident87 Ų8745 Ų4541%0.40726%0.261SS..THydrogen-bonded Turntrans-113.829.8-179.9-67.2-60.6148.200112.4T970 Y974 K995 K1018 A1019T970-E972 VanDerWaalsContact C-N 3.33Å; T970-E972 PolarHBondContact O-N 3.29Å; E972-Y974 WeakPolarHBondContact O-CD2 3.49Å; E972-Y974 PolarHBondContact OE2-OH 2.63Å; E972-K995 IonicContact OE1-NZ 3.12Å; E972-K995 PolarHBondContact OE1-NZ 3.48Å; E972-K995 IonicContact OE2-NZ 3.51Å; E972-K995 PolarHBondContact OE2-NZ 2.84Å; E972-K1018 WeakPolarHBondContact OE2-CE 3.4Å; E972-K1018 IonicContact OE2-NZ 3.74Å; E972-K1018 PolarHBondContact OE2-NZ 3.15Å; E972-A1019 PolarHBondContact O-N 3.28Å
973V94Very high86.7Confident1 Ų143.2 Ų43.21%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-102.3133.8176.8-173.60000109.3W958 W961 T970 F994 K995 A1019 L1021W958-V973 HydrophobicContact CE3-CG1 4.44Å; W958-V973 HydrophobicContact CZ3-CB 4.24Å; W958-V973 HydrophobicContact CZ3-CG1 4.08Å; W961-V973 HydrophobicContact CE3-CG1 4.43Å; W961-V973 HydrophobicContact CE3-CG2 4.21Å; W961-V973 HydrophobicContact CH2-CG2 3.22Å; W961-V973 HydrophobicContact CZ2-CG2 3.96Å; W961-V973 HydrophobicContact CZ3-CB 4.45Å; W961-V973 HydrophobicContact CZ3-CG1 4.37Å; W961-V973 HydrophobicContact CZ3-CG2 3.37Å; T970-V973 WeakPolarHBondContact O-CG2 3.21Å; T970-V973 PolarHBondContact O-N 2.89Å; V973-F994 HydrophobicContact CB-CB 4.34Å; V973-K995 PolarHBondContact O-N 2.93Å; V973-A1019 CarbonylContact C-O 3.52Å; V973-A1019 WeakPolarHBondContact CA-O 3.33Å; V973-A1019 HydrophobicContact CG2-CB 4.38Å; V973-L1021 HydrophobicContact CG1-CD1 3.48Å; V973-L1021 VanDerWaalsContact CG1-CD1 3.48Å; V973-L1021 HydrophobicContact CG1-CD2 4.23Å; V973-L1021 HydrophobicContact CG1-CG 3.52Å
974Y96Very high87Confident6 Ų638.8 Ų38.82%0.02422%0.223CC..EExtended strand (participates in β ladder)trans-123.2139.3-171.8-72.6-101000112.1E972 K995 E997 L1013 K1018 A1019 V1020 L1021E972-Y974 WeakPolarHBondContact O-CD2 3.49Å; E972-Y974 PolarHBondContact OE2-OH 2.63Å; Y974-K995 VanDerWaalsContact CA-O 3.3Å; Y974-K995 WeakPolarHBondContact CA-O 3.34Å; Y974-K995 HydrophobicContact CD1-CB 3.65Å; Y974-K995 HydrophobicContact CD1-CD 4.45Å; Y974-K995 HydrophobicContact CE1-CB 3.58Å; Y974-K995 HydrophobicContact CE1-CD 3.62Å; Y974-K995 HydrophobicContact CE1-CG 4.25Å; Y974-K995 HydrophobicContact CE2-CB 4.46Å; Y974-K995 HydrophobicContact CE2-CD 3.83Å; Y974-K995 HydrophobicContact CG-CB 4.16Å; Y974-K995 WeakPolarHBondContact OH-CD 3.44Å; Y974-K995 PolarHBondContact OH-NZ 2.92Å; Y974-E997 HydrophobicContact CD1-CG 4.17Å; Y974-E997 HydrophobicContact CE1-CG 4.16Å; Y974-E997 VanDerWaalsContact CE1-OE1 3.32Å; Y974-E997 WeakPolarHBondContact CE1-OE1 3.34Å; Y974-L1013 HydrophobicContact CD1-CD1 3.8Å; Y974-L1013 HydrophobicContact CD1-CD2 4.17Å; Y974-L1013 HydrophobicContact CD2-CD2 4.39Å; Y974-L1013 HydrophobicContact CE1-CD1 4.35Å; Y974-L1013 HydrophobicContact CE1-CD2 3.92Å; Y974-L1013 HydrophobicContact CE2-CD2 4.18Å; Y974-L1013 HydrophobicContact CG-CD1 3.87Å; Y974-L1013 HydrophobicContact CG-CD2 4.39Å; Y974-K1018 HydrophobicContact CD2-CB 4.05Å; Y974-K1018 HydrophobicContact CD2-CD 4.39Å; Y974-K1018 HydrophobicContact CE2-CB 3.96Å; Y974-K1018 HydrophobicContact CE2-CD 3.58Å; Y974-K1018 HydrophobicContact CE2-CG 4.07Å; Y974-K1018 PolarHBondContact OH-NZ 2.85Å; Y974-A1019 PolarHBondContact N-O 2.91Å; Y974-V1020 WeakPolarHBondContact O-CA 3.22Å; Y974-L1021 PolarHBondContact O-N 3.05Å
975I97.2Very high87.5Confident0 Ų035 Ų350%018%0.183CC..EExtended strand (participates in β ladder)trans-121.3129.6162.3-65.8-177.6000107.7T954 A985 F994 K995 C996 E997 L1021 L1022T954-I975 HydrophobicContact CG2-CD1 3.72Å; I975-A985 HydrophobicContact CG2-CB 4.19Å; I975-F994 HydrophobicContact CB-CD2 4.09Å; I975-F994 HydrophobicContact CB-CE2 3.88Å; I975-F994 HydrophobicContact CD1-CD2 4.07Å; I975-F994 HydrophobicContact CD1-CE2 3.71Å; I975-F994 HydrophobicContact CD1-CZ 3.99Å; I975-F994 HydrophobicContact CG1-CD2 4.03Å; I975-F994 HydrophobicContact CG1-CE2 4Å; I975-K995 PolarHBondContact N-O 2.86Å; I975-C996 VanDerWaalsContact O-CA 3.29Å; I975-C996 WeakPolarHBondContact O-CA 3.2Å; I975-E997 PolarHBondContact O-N 3.23Å; I975-L1021 HydrophobicContact CG1-CB 4.32Å; I975-L1022 CarbonylContact C-O 3.54Å; I975-L1022 WeakPolarHBondContact CA-O 3.42Å; I975-L1022 HydrophobicContact CG1-CB 4.4Å; I975-L1022 HydrophobicContact CG2-CB 4.26Å
976L97Very high87.9Confident0 Ų035.4 Ų35.40%018%0.182CC..EExtended strand (participates in β ladder)trans-111.9140.3-176.7-50179.1000109.7E997 L1006 R1009 A1010 L1013 V1020 L1022 A1023 W1024L976-E997 WeakPolarHBondContact CA-O 3.47Å; L976-E997 HydrophobicContact CD2-CB 3.72Å; L976-E997 HydrophobicContact CD2-CG 4.49Å; L976-L1006 HydrophobicContact CB-CD2 3.75Å; L976-R1009 HydrophobicContact CD1-CB 4.1Å; L976-R1009 HydrophobicContact CD1-CG 3.99Å; L976-R1009 HydrophobicContact CD2-CG 4.33Å; L976-A1010 HydrophobicContact CD1-CB 3.87Å; L976-L1013 HydrophobicContact CD1-CD1 4.16Å; L976-L1013 HydrophobicContact CD2-CD1 3.88Å; L976-L1013 HydrophobicContact CG-CD1 4.5Å; L976-V1020 HydrophobicContact CD1-CG1 4.15Å; L976-V1020 HydrophobicContact CG-CG1 4.25Å; L976-L1022 PolarHBondContact N-O 3.06Å; L976-A1023 HydrophobicContact CB-CB 3.93Å; L976-A1023 HydrophobicContact CD1-CB 4.34Å; L976-A1023 CarbonylContact O-C 3.39Å; L976-A1023 VanDerWaalsContact O-CA 3.26Å; L976-A1023 WeakPolarHBondContact O-CA 3.24Å; L976-W1024 PolarHBondContact O-N 2.66Å
977N95Very high88.6Confident2 Ų233.8 Ų33.81%0.01117%0.172CC..EExtended strand (participates in β ladder)trans-144.1169.4169.565.7-23.9000111.8S982 E997 E998 T999 W1024N977-S982 PolarHBondContact ND2-O 3.04Å; N977-E997 PolarHBondContact N-O 2.93Å; N977-E998 CarbonylContact O-C 3.59Å; N977-E998 VanDerWaalsContact O-CA 3.23Å; N977-E998 WeakPolarHBondContact O-CA 3.3Å; N977-T999 PolarHBondContact O-N 2.75Å; N977-W1024 WeakPolarHBondContact CA-O 3.45Å; N977-W1024 HydrophobicContact CB-CD2 4.31Å; N977-W1024 HydrophobicContact CB-CG 4.4Å; N977-W1024 HydrophobicContact CB-CZ2 4.43Å; N977-W1024 WeakPolarHBondContact CB-O 3.24Å
978T90.7Very high89.6Confident0 Ų025.9 Ų25.90%014%0.137CC..EExtended strand (participates in β ladder)trans-84.9159.8178.583.20000111G980 S981 T999 L1006 W1024 E1025 E1026T978-G980 PolarHBondContact O-N 3.28Å; T978-G980 VanDerWaalsContact O-N 3.15Å; T978-G980 PolarHBondContact OG1-N 3.14Å; T978-S981 WeakPolarHBondContact O-CB 3.49Å; T978-S981 PolarHBondContact O-N 2.94Å; T978-S981 PolarHBondContact OG1-OG 3.46Å; T978-T999 WeakPolarHBondContact CA-O 3.03Å; T978-L1006 HydrophobicContact CG2-CD1 3.69Å; T978-L1006 HydrophobicContact CG2-CD2 4.45Å; T978-L1006 HydrophobicContact CG2-CG 4.08Å; T978-W1024 PolarHBondContact N-O 3.42Å; T978-E1025 HydrophobicContact CG2-CB 3.43Å; T978-E1025 VanDerWaalsContact CG2-CB 3.43Å; T978-E1026 PolarHBondContact OG1-OE2 3.04Å
979A85.2Confident90.5Very high1 Ų122.7 Ų22.71%0.00811%0.111CC..THydrogen-bonded Turntrans-58.3-25.4173.500000114S981 K983 T999 L1121 T1156A979-S981 VanDerWaalsContact C-N 3.32Å; A979-K983 PolarHBondContact O-NZ 3.31Å; A979-T999 PolarHBondContact N-O 3.04Å; A979-L1121 HydrophobicContact CB-CD1 3.36Å; A979-T1156 PolarHBondContact O-OG1 3.39Å
980G83.7Confident91.2Very high5 Ų522.4 Ų22.45%0.05213%0.126CC..THydrogen-bonded Turntrans-78.4-15176.800000114.1T978 E1026 N1169T978-G980 PolarHBondContact O-N 3.28Å; T978-G980 VanDerWaalsContact O-N 3.15Å; T978-G980 PolarHBondContact OG1-N 3.14Å; G980-E1026 VanDerWaalsContact C-OE2 3.25Å; G980-N1169 WeakPolarHBondContact CA-ND2 3.35Å; G980-N1169 WeakPolarHBondContact O-CB 3.5Å; G980-N1169 PolarHBondContact O-ND2 3.47Å
981S91.4Very high91.7Very high3 Ų328 Ų282%0.02115%0.149CC..SBendtrans-90.2161.3-174.5-41.10000112T978 A979 K983 E1025 E1026T978-S981 WeakPolarHBondContact O-CB 3.49Å; T978-S981 PolarHBondContact O-N 2.94Å; T978-S981 PolarHBondContact OG1-OG 3.46Å; A979-S981 VanDerWaalsContact C-N 3.32Å; S981-K983 PolarHBondContact O-NZ 3.47Å; S981-E1025 WeakPolarHBondContact OG-CA 3.46Å; S981-E1026 WeakPolarHBondContact CA-OE2 3.34Å; S981-E1026 PolarHBondContact N-OE2 3.39Å; S981-E1026 PolarHBondContact OG-N 3.31Å; S981-E1026 VanDerWaalsContact OG-N 3.16Å; S981-E1026 PolarHBondContact OG-OE2 3.18Å
982S91.1Very high92.1Very high2 Ų226.6 Ų26.61%0.01414%0.14CC..  trans-51.3142.7-178.7171.10000112.8N947 N977 F984 H1075 E1171N947-S982 WeakPolarHBondContact OD1-CB 3.3Å; N947-S982 PolarHBondContact OD1-N 2.86Å; N977-S982 PolarHBondContact ND2-O 3.04Å; S982-F984 PolarHBondContact O-N 2.82Å; S982-F984 WeakPolarHBondContact OG-CB 3.38Å; S982-F984 PolarHBondContact OG-N 3.02Å; S982-F984 VanDerWaalsContact OG-N 3.08Å; S982-H1075 WeakPolarHBondContact OG-CB 3.48Å; S982-E1171 VanDerWaalsContact CA-OE1 3.3Å; S982-E1171 WeakPolarHBondContact CA-OE1 3.24Å; S982-E1171 VanDerWaalsContact CB-OE1 3.3Å; S982-E1171 WeakPolarHBondContact CB-OE1 3.49Å; S982-E1171 PolarHBondContact OG-OE1 2.88Å
983K90.7Very high92.1Very high20 Ų2023.9 Ų23.99%0.08714%0.136CC..THydrogen-bonded Turntrans-77.33.1174.6-52.7-48.8162-150.20113.8A979 S981 A985 R986 T987 E998 E1171A979-K983 PolarHBondContact O-NZ 3.31Å; S981-K983 PolarHBondContact O-NZ 3.47Å; K983-A985 PolarHBondContact O-N 3.42Å; K983-R986 WeakPolarHBondContact O-CB 3.47Å; K983-R986 PolarHBondContact O-N 2.96Å; K983-T987 PolarHBondContact O-N 3.44Å; K983-T987 PolarHBondContact O-OG1 3.47Å; K983-E998 VanDerWaalsContact CD-OE1 3.29Å; K983-E998 WeakPolarHBondContact CD-OE1 3.46Å; K983-E998 VanDerWaalsContact CE-OE1 3.26Å; K983-E998 WeakPolarHBondContact CE-OE1 3.28Å; K983-E998 IonicContact NZ-OE1 3.58Å; K983-E998 PolarHBondContact NZ-OE1 3.01Å; K983-E1171 WeakPolarHBondContact CG-OE2 3.35Å; K983-E1171 PolarHBondContact N-OE1 2.99Å; K983-E1171 PolarHBondContact N-OE2 3.35Å
984F94Very high92.1Very high0 Ų024.2 Ų24.20%014%0.137CC..Hα-helixtrans-51.9-47.8-179.9173.6-99.9000113.3T951 T954 S982 R986 T987 M988 I1068 Y1072 H1075T951-F984 HydrophobicContact CG2-CD1 3.65Å; T951-F984 HydrophobicContact CG2-CD2 4Å; T951-F984 HydrophobicContact CG2-CE1 3.64Å; T951-F984 HydrophobicContact CG2-CE2 3.99Å; T951-F984 HydrophobicContact CG2-CG 3.83Å; T951-F984 HydrophobicContact CG2-CZ 3.83Å; T954-F984 HydrophobicContact CG2-CD1 4.37Å; T954-F984 HydrophobicContact CG2-CE1 4.05Å; S982-F984 PolarHBondContact O-N 2.82Å; S982-F984 WeakPolarHBondContact OG-CB 3.38Å; S982-F984 PolarHBondContact OG-N 3.02Å; S982-F984 VanDerWaalsContact OG-N 3.08Å; F984-R986 PolarHBondContact O-N 3.24Å; F984-R986 VanDerWaalsContact O-N 3.14Å; F984-T987 WeakPolarHBondContact O-CB 3.25Å; F984-T987 PolarHBondContact O-N 3.33Å; F984-M988 HydrophobicContact CE1-CB 4.17Å; F984-M988 HydrophobicContact CE1-SD 3.78Å; F984-M988 HydrophobicContact CE2-CB 4.5Å; F984-M988 HydrophobicContact CZ-CB 4.04Å; F984-M988 HydrophobicContact CZ-CG 4.3Å; F984-M988 HydrophobicContact CZ-SD 3.78Å; F984-M988 PolarHBondContact O-N 2.89Å; F984-I1068 HydrophobicContact CD2-CG2 4.4Å; F984-I1068 HydrophobicContact CE1-CG2 4.36Å; F984-I1068 HydrophobicContact CE2-CG2 3.32Å; F984-I1068 HydrophobicContact CZ-CG2 3.3Å; F984-Y1072 HydrophobicContact CE2-CD2 4.28Å; F984-Y1072 HydrophobicContact CE2-CG 4.32Å; F984-Y1072 HydrophobicContact CZ-CD2 4.32Å; F984-H1075 HydrophobicContact CB-CB 3.98Å; F984-H1075 AromaticContact CD2-CD2 3.99Å; F984-H1075 PolarHBondContact N-ND1 2.78Å
985A93Very high92Very high0 Ų027.4 Ų27.40%015%0.151CC..Hα-helixtrans-58.4-32.3-178.600000112.5T954 I975 K983 A989 F994T954-A985 HydrophobicContact CG2-CB 4.14Å; I975-A985 HydrophobicContact CG2-CB 4.19Å; K983-A985 PolarHBondContact O-N 3.42Å; A985-A989 WeakPolarHBondContact O-CB 3.48Å; A985-A989 PolarHBondContact O-N 2.83Å; A985-F994 WeakPolarHBondContact O-CE2 3.25Å; A985-F994 WeakPolarHBondContact O-CZ 3.44Å
986R92.6Very high91.9Very high108 Ų10828.6 Ų28.641%0.40816%0.159SC..Hα-helixtrans-72.3-42.7174.3-178.4179.3-65.4173.10.8112K983 F984 M988 A989 A990 C996 E998K983-R986 WeakPolarHBondContact O-CB 3.47Å; K983-R986 PolarHBondContact O-N 2.96Å; F984-R986 PolarHBondContact O-N 3.24Å; F984-R986 VanDerWaalsContact O-N 3.14Å; R986-M988 VanDerWaalsContact C-N 3.33Å; R986-A989 WeakPolarHBondContact O-CB 3.29Å; R986-A989 PolarHBondContact O-N 2.84Å; R986-A990 PolarHBondContact O-N 3.47Å; R986-C996 HydrophobicContact CB-CB 4.45Å; R986-E998 IonicContact CZ-OE2 2.7Å; R986-E998 IonicContact NH1-OE2 3.01Å; R986-E998 VanDerWaalsContact NH2-CG 3.34Å; R986-E998 IonicContact NH2-OE1 3.93Å; R986-E998 PolarHBondContact NH2-OE1 3.35Å; R986-E998 IonicContact NH2-OE2 3.25Å; R986-E998 PolarHBondContact NH2-OE2 2.69Å
987T93.1Very high91.7Very high46 Ų4631 Ų3128%0.28217%0.171SC..Hα-helixtrans-60.8-45.3176-58.40000110.8K983 F984 A990 K991 Y1072 H1075K983-T987 PolarHBondContact O-N 3.44Å; K983-T987 PolarHBondContact O-OG1 3.47Å; F984-T987 WeakPolarHBondContact O-CB 3.25Å; F984-T987 PolarHBondContact O-N 3.33Å; T987-A990 PolarHBondContact O-N 2.82Å; T987-K991 PolarHBondContact O-N 2.81Å; T987-Y1072 VanDerWaalsContact CG2-O 3.27Å; T987-Y1072 WeakPolarHBondContact CG2-O 3.33Å; T987-H1075 WeakPolarHBondContact CB-NE2 3.46Å; T987-H1075 PolarHBondContact OG1-CE1 3Å; T987-H1075 PolarHBondContact OG1-NE2 3.4Å
988M94.2Very high91.5Very high0 Ų031.8 Ų31.80%017%0.174CC..Hα-helixtrans-65.9-45.1176.8-169-179.7172.900111.4T954 W955 W958 F984 R986 A990 K991 E992 F994 Y1072T954-M988 HydrophobicContact CG2-SD 3.88Å; W955-M988 HydrophobicContact CB-CE 4.4Å; W955-M988 HydrophobicContact CB-SD 4.35Å; W955-M988 HydrophobicContact CG-CE 4.4Å; W958-M988 HydrophobicContact CB-CE 4.14Å; W958-M988 HydrophobicContact CG-CE 3.94Å; F984-M988 HydrophobicContact CE1-CB 4.17Å; F984-M988 HydrophobicContact CE1-SD 3.78Å; F984-M988 HydrophobicContact CE2-CB 4.5Å; F984-M988 HydrophobicContact CZ-CB 4.04Å; F984-M988 HydrophobicContact CZ-CG 4.3Å; F984-M988 HydrophobicContact CZ-SD 3.78Å; F984-M988 PolarHBondContact O-N 2.89Å; R986-M988 VanDerWaalsContact C-N 3.33Å; M988-A990 VanDerWaalsContact C-N 3.28Å; M988-A990 PolarHBondContact O-N 2.75Å; M988-K991 PolarHBondContact O-N 2.8Å; M988-E992 HydrophobicContact CE-CG 3.93Å; M988-E992 HydrophobicContact CG-CG 3.79Å; M988-E992 VanDerWaalsContact O-CB 3.3Å; M988-E992 WeakPolarHBondContact O-CB 3.25Å; M988-E992 WeakPolarHBondContact O-CG 3.28Å; M988-E992 PolarHBondContact O-N 2.97Å; M988-F994 HydrophobicContact CB-CE1 4.32Å; M988-F994 HydrophobicContact CB-CZ 4.05Å; M988-F994 HydrophobicContact CE-CE1 4.41Å; M988-F994 HydrophobicContact CG-CE1 3.91Å; M988-F994 HydrophobicContact CG-CZ 4.08Å; M988-F994 HydrophobicContact SD-CE1 4.3Å; M988-F994 HydrophobicContact SD-CZ 4.38Å; M988-Y1072 HydrophobicContact CB-CD1 4.39Å; M988-Y1072 HydrophobicContact CG-CD1 4.11Å; M988-Y1072 HydrophobicContact CG-CE1 3.88Å
989A93.4Very high91.4Very high11 Ų1132.4 Ų32.49%0.09118%0.178CC..Hα-helixtrans-53.5-42.9174.200000112.8A985 R986 K991 E992 G993 F994 C996A985-A989 WeakPolarHBondContact O-CB 3.48Å; A985-A989 PolarHBondContact O-N 2.83Å; R986-A989 WeakPolarHBondContact O-CB 3.29Å; R986-A989 PolarHBondContact O-N 2.84Å; A989-K991 PolarHBondContact O-N 3.43Å; A989-E992 PolarHBondContact O-N 3.3Å; A989-G993 WeakPolarHBondContact O-CA 3.48Å; A989-G993 PolarHBondContact O-N 2.84Å; A989-F994 HydrophobicContact CB-CD2 3.82Å; A989-F994 HydrophobicContact CB-CE1 4.38Å; A989-F994 HydrophobicContact CB-CE2 3.57Å; A989-F994 HydrophobicContact CB-CG 4.31Å; A989-F994 HydrophobicContact CB-CZ 3.88Å; A989-F994 VanDerWaalsContact CB-O 3.27Å; A989-F994 WeakPolarHBondContact CB-O 3.47Å; A989-C996 HydrophobicContact CB-CB 3.83Å
990A91.5Very high91.3Very high92 Ų9232.7 Ų32.776%0.7618%0.179SC*.Hα-helixtrans-63.4-28.5179.700000113.3R986 T987 M988R986-A990 PolarHBondContact O-N 3.47Å; T987-A990 PolarHBondContact O-N 2.82Å; M988-A990 VanDerWaalsContact C-N 3.28Å; M988-A990 PolarHBondContact O-N 2.75Å
991K91.3Very high91.2Very high126 Ų12633 Ų3355%0.54818%0.18SC..Hα-helixtrans-92-37.3177.8-177.3163.9169.41780112.8T987 M988 A989 T1071 Y1072T987-K991 PolarHBondContact O-N 2.81Å; M988-K991 PolarHBondContact O-N 2.8Å; A989-K991 PolarHBondContact O-N 3.43Å; K991-T1071 PolarHBondContact NZ-O 3.19Å; K991-Y1072 HydrophobicContact CB-CD1 4.27Å; K991-Y1072 HydrophobicContact CB-CE1 4.25Å; K991-Y1072 HydrophobicContact CD-CD1 3.74Å; K991-Y1072 HydrophobicContact CD-CE1 3.76Å; K991-Y1072 HydrophobicContact CG-CD1 4.39Å; K991-Y1072 HydrophobicContact CG-CE1 4.12Å
992E91Very high90.8Very high48 Ų4833 Ų3322%0.22418%0.18CC..Hα-helixtrans-96.2-28.6-170-66-68.3143.200114.3W958 K962 M988 A989 F994 Y1072W958-E992 HydrophobicContact CZ2-CB 3.76Å; W958-E992 WeakPolarHBondContact CZ2-O 3.05Å; W958-E992 VanDerWaalsContact NE1-CB 3.34Å; W958-E992 PolarHBondContact NE1-OE2 3.33Å; K962-E992 IonicContact NZ-OE2 3.76Å; K962-E992 PolarHBondContact NZ-OE2 2.66Å; M988-E992 HydrophobicContact CE-CG 3.93Å; M988-E992 HydrophobicContact CG-CG 3.79Å; M988-E992 VanDerWaalsContact O-CB 3.3Å; M988-E992 WeakPolarHBondContact O-CB 3.25Å; M988-E992 WeakPolarHBondContact O-CG 3.28Å; M988-E992 PolarHBondContact O-N 2.97Å; A989-E992 PolarHBondContact O-N 3.3Å; E992-F994 HydrophobicContact CB-CD1 4.01Å; E992-F994 HydrophobicContact CB-CE1 4Å; E992-Y1072 VanDerWaalsContact CD-OH 3.32Å; E992-Y1072 HydrophobicContact CG-CE1 3.9Å; E992-Y1072 WeakPolarHBondContact OE1-CE1 3.14Å; E992-Y1072 PolarHBondContact OE1-OH 2.87Å
993G88.7Confident90.7Very high31 Ų3133.3 Ų33.332%0.3218%0.182SC..  trans102.4-4.2171.800000117.2A989A989-G993 WeakPolarHBondContact O-CA 3.48Å; A989-G993 PolarHBondContact O-N 2.84Å
994F93.2Very high90.6Very high7 Ų732.5 Ų32.53%0.03118%0.178CC..  trans-69.3165.8166.163-88.6000111.4T954 W958 V973 I975 A985 M988 A989 E992 C996T954-F994 HydrophobicContact CG2-CZ 4.17Å; W958-F994 AromaticContact CD2-CD1 3.53Å; W958-F994 HydrophobicContact CD2-CD1 3.53Å; W958-F994 HydrophobicContact CD2-CE1 4.04Å; W958-F994 HydrophobicContact CD2-CG 4.38Å; W958-F994 AromaticContact CE2-CD1 3.66Å; W958-F994 HydrophobicContact CE3-CB 3.95Å; W958-F994 AromaticContact CE3-CD1 3.7Å; W958-F994 HydrophobicContact CE3-CD1 3.7Å; W958-F994 HydrophobicContact CE3-CG 4.1Å; W958-F994 HydrophobicContact CG-CD1 4.05Å; W958-F994 HydrophobicContact CG-CE1 4.07Å; W958-F994 HydrophobicContact CH2-CB 3.7Å; W958-F994 AromaticContact CH2-CD1 3.92Å; W958-F994 HydrophobicContact CH2-CD1 3.92Å; W958-F994 HydrophobicContact CH2-CG 4.31Å; W958-F994 HydrophobicContact CZ2-CB 4.47Å; W958-F994 AromaticContact CZ2-CD1 3.86Å; W958-F994 HydrophobicContact CZ2-CD1 3.86Å; W958-F994 HydrophobicContact CZ3-CB 3.48Å; W958-F994 VanDerWaalsContact CZ3-CB 3.48Å; W958-F994 AromaticContact CZ3-CD1 3.92Å; W958-F994 HydrophobicContact CZ3-CD1 3.92Å; W958-F994 HydrophobicContact CZ3-CG 4.1Å; V973-F994 HydrophobicContact CB-CB 4.34Å; I975-F994 HydrophobicContact CB-CD2 4.09Å; I975-F994 HydrophobicContact CB-CE2 3.88Å; I975-F994 HydrophobicContact CD1-CD2 4.07Å; I975-F994 HydrophobicContact CD1-CE2 3.71Å; I975-F994 HydrophobicContact CD1-CZ 3.99Å; I975-F994 HydrophobicContact CG1-CD2 4.03Å; I975-F994 HydrophobicContact CG1-CE2 4Å; A985-F994 WeakPolarHBondContact O-CE2 3.25Å; A985-F994 WeakPolarHBondContact O-CZ 3.44Å; M988-F994 HydrophobicContact CB-CE1 4.32Å; M988-F994 HydrophobicContact CB-CZ 4.05Å; M988-F994 HydrophobicContact CE-CE1 4.41Å; M988-F994 HydrophobicContact CG-CE1 3.91Å; M988-F994 HydrophobicContact CG-CZ 4.08Å; M988-F994 HydrophobicContact SD-CE1 4.3Å; M988-F994 HydrophobicContact SD-CZ 4.38Å; A989-F994 HydrophobicContact CB-CD2 3.82Å; A989-F994 HydrophobicContact CB-CE1 4.38Å; A989-F994 HydrophobicContact CB-CE2 3.57Å; A989-F994 HydrophobicContact CB-CG 4.31Å; A989-F994 HydrophobicContact CB-CZ 3.88Å; A989-F994 VanDerWaalsContact CB-O 3.27Å; A989-F994 WeakPolarHBondContact CB-O 3.47Å; E992-F994 HydrophobicContact CB-CD1 4.01Å; E992-F994 HydrophobicContact CB-CE1 4Å; F994-C996 HydrophobicContact CE2-CB 4.44Å
995K94.4Very high90.4Very high73 Ų7335.2 Ų35.232%0.31719%0.188SC..EExtended strand (participates in β ladder)trans-94.7130.8177-68175.2-178.6166.10110.4N971 E972 V973 Y974 I975N971-K995 WeakPolarHBondContact O-CE 3.11Å; N971-K995 PolarHBondContact O-NZ 2.75Å; E972-K995 IonicContact OE1-NZ 3.12Å; E972-K995 PolarHBondContact OE1-NZ 3.48Å; E972-K995 IonicContact OE2-NZ 3.51Å; E972-K995 PolarHBondContact OE2-NZ 2.84Å; V973-K995 PolarHBondContact O-N 2.93Å; Y974-K995 VanDerWaalsContact CA-O 3.3Å; Y974-K995 WeakPolarHBondContact CA-O 3.34Å; Y974-K995 HydrophobicContact CD1-CB 3.65Å; Y974-K995 HydrophobicContact CD1-CD 4.45Å; Y974-K995 HydrophobicContact CE1-CB 3.58Å; Y974-K995 HydrophobicContact CE1-CD 3.62Å; Y974-K995 HydrophobicContact CE1-CG 4.25Å; Y974-K995 HydrophobicContact CE2-CB 4.46Å; Y974-K995 HydrophobicContact CE2-CD 3.83Å; Y974-K995 HydrophobicContact CG-CB 4.16Å; Y974-K995 WeakPolarHBondContact OH-CD 3.44Å; Y974-K995 PolarHBondContact OH-NZ 2.92Å; I975-K995 PolarHBondContact N-O 2.86Å
996C94.6Very high90.4Very high25 Ų2535.2 Ų35.217%0.16919%0.188CC..EExtended strand (participates in β ladder)trans-108.7124.4170.8175.60000109.7I975 R986 A989 F994I975-C996 VanDerWaalsContact O-CA 3.29Å; I975-C996 WeakPolarHBondContact O-CA 3.2Å; R986-C996 HydrophobicContact CB-CB 4.45Å; A989-C996 HydrophobicContact CB-CB 3.83Å; F994-C996 HydrophobicContact CE2-CB 4.44Å
997E94Very high90.5Very high52 Ų5230.1 Ų30.124%0.24317%0.169CC..EExtended strand (participates in β ladder)trans-120.7136.6173.7-64.4-173.6177.700111.1Y974 I975 L976 N977 R1009Y974-E997 HydrophobicContact CD1-CG 4.17Å; Y974-E997 HydrophobicContact CE1-CG 4.16Å; Y974-E997 VanDerWaalsContact CE1-OE1 3.32Å; Y974-E997 WeakPolarHBondContact CE1-OE1 3.34Å; I975-E997 PolarHBondContact O-N 3.23Å; L976-E997 WeakPolarHBondContact CA-O 3.47Å; L976-E997 HydrophobicContact CD2-CB 3.72Å; L976-E997 HydrophobicContact CD2-CG 4.49Å; N977-E997 PolarHBondContact N-O 2.93Å; E997-R1009 VanDerWaalsContact CD-NH2 3.26Å; E997-R1009 IonicContact OE1-CZ 3.57Å; E997-R1009 IonicContact OE1-NH2 2.57Å; E997-R1009 PolarHBondContact OE1-NH2 3.18Å; E997-R1009 IonicContact OE2-CZ 3.63Å; E997-R1009 IonicContact OE2-NE 2.93Å; E997-R1009 PolarHBondContact OE2-NE 3.43Å; E997-R1009 IonicContact OE2-NH2 3.79Å; E997-R1009 PolarHBondContact OE2-NH2 2.99Å
998E90.2Very high90.5Very high17 Ų1730.1 Ų30.18%0.07917%0.167CC..EExtended strand (participates in β ladder)trans-91.2140.1174.2-69.2178.8141.600110.1N977 K983 R986 R1119 W1138N977-E998 CarbonylContact O-C 3.59Å; N977-E998 VanDerWaalsContact O-CA 3.23Å; N977-E998 WeakPolarHBondContact O-CA 3.3Å; K983-E998 VanDerWaalsContact CD-OE1 3.29Å; K983-E998 WeakPolarHBondContact CD-OE1 3.46Å; K983-E998 VanDerWaalsContact CE-OE1 3.26Å; K983-E998 WeakPolarHBondContact CE-OE1 3.28Å; K983-E998 IonicContact NZ-OE1 3.58Å; K983-E998 PolarHBondContact NZ-OE1 3.01Å; R986-E998 IonicContact CZ-OE2 2.7Å; R986-E998 IonicContact NH1-OE2 3.01Å; R986-E998 VanDerWaalsContact NH2-CG 3.34Å; R986-E998 IonicContact NH2-OE1 3.93Å; R986-E998 PolarHBondContact NH2-OE1 3.35Å; R986-E998 IonicContact NH2-OE2 3.25Å; R986-E998 PolarHBondContact NH2-OE2 2.69Å; E998-R1119 IonicContact OE1-NH2 2.73Å; E998-R1119 IonicContact OE2-CZ 2.67Å; E998-R1119 IonicContact OE2-NH1 2.8Å; E998-R1119 PolarHBondContact OE2-NH1 3.03Å; E998-R1119 IonicContact OE2-NH2 3.29Å; E998-R1119 PolarHBondContact OE2-NH2 2.87Å; E998-R1119 VanDerWaalsContact OE2-NH2 3.1Å; E998-W1138 HydrophobicContact CB-CZ3 4.46Å; E998-W1138 WeakPolarHBondContact O-CH2 3.42Å; E998-W1138 WeakPolarHBondContact O-CZ3 3.47Å
999T88.5Confident90.4Very high13 Ų1334.2 Ų34.28%0.0818%0.183CC..EExtended strand (participates in β ladder)trans-118.8179.4167.671.90000111.2N977 T978 A979 L1006 R1009N977-T999 PolarHBondContact O-N 2.75Å; T978-T999 WeakPolarHBondContact CA-O 3.03Å; A979-T999 PolarHBondContact N-O 3.04Å; T999-L1006 HydrophobicContact CG2-CD2 4.25Å; T999-L1006 WeakPolarHBondContact OG1-CD2 3.29Å; T999-L1006 WeakPolarHBondContact OG1-CG 3.41Å; T999-R1009 HydrophobicContact CG2-CB 3.85Å; T999-R1009 HydrophobicContact CG2-CG 4.13Å
1000L83.4Confident90.5Very high8 Ų833.7 Ų33.74%0.04218%0.178CC..  trans-64.2161.2167.9-72.9174.4000111.8W1005 L1121 W1138L1000-W1005 HydrophobicContact CB-CB 4.15Å; L1000-W1005 VanDerWaalsContact CB-CD1 3.44Å; L1000-W1005 HydrophobicContact CB-CD2 4.2Å; L1000-W1005 HydrophobicContact CB-CG 3.67Å; L1000-W1005 HydrophobicContact CD1-CD2 3.78Å; L1000-W1005 VanDerWaalsContact CD1-CE2 3.48Å; L1000-W1005 HydrophobicContact CD1-CE3 4.34Å; L1000-W1005 HydrophobicContact CD1-CG 4.13Å; L1000-W1005 HydrophobicContact CD1-CH2 4.36Å; L1000-W1005 HydrophobicContact CD1-CZ2 3.8Å; L1000-L1121 HydrophobicContact CD2-CB 4.18Å; L1000-L1121 HydrophobicContact CD2-CD1 4.34Å; L1000-W1138 HydrophobicContact CD1-CB 4.18Å; L1000-W1138 VanDerWaalsContact CD1-O 3.24Å; L1000-W1138 WeakPolarHBondContact CD1-O 3.48Å; L1000-W1138 HydrophobicContact CD2-CB 3.57Å; L1000-W1138 HydrophobicContact CD2-CE3 4.37Å; L1000-W1138 HydrophobicContact CG-CB 3.82Å; L1000-W1138 HydrophobicContact CG-CE3 4.42Å
1001V81.2Confident90.6Very high11 Ų1131.3 Ų31.37%0.06715%0.153CC..SBendtrans-63.3136171.6179.20000110.5W1005V1001-W1005 VanDerWaalsContact O-CD1 3.32Å
1002G84Confident90.8Very high2 Ų228.5 Ų28.52%0.02114%0.144CC..SBendtrans107.4132.6-178.800000113.5K1004 W1005 E1025G1002-K1004 PolarHBondContact O-N 3.02Å; G1002-K1004 VanDerWaalsContact O-N 3.15Å; G1002-W1005 PolarHBondContact O-N 2.99Å; G1002-E1025 PolarHBondContact N-OE2 2.74Å; G1002-E1025 VanDerWaalsContact N-OE2 3.13Å
1003F87.9Confident90.9Very high10 Ų1026.3 Ų26.34%0.04413%0.134CC..Hα-helixtrans-58.8-28.3-176.7-93.4-89.3000114.8W1005 L1006 A1007 E1025 G1029 M1031F1003-W1005 PolarHBondContact O-N 3.42Å; F1003-L1006 HydrophobicContact CD1-CB 4.42Å; F1003-L1006 HydrophobicContact CD1-CD1 4.31Å; F1003-L1006 HydrophobicContact CE1-CD1 4.07Å; F1003-L1006 HydrophobicContact CE2-CD1 4.34Å; F1003-L1006 HydrophobicContact CZ-CD1 4.08Å; F1003-L1006 PolarHBondContact O-N 2.9Å; F1003-A1007 WeakPolarHBondContact O-CB 3.49Å; F1003-A1007 PolarHBondContact O-N 3.44Å; F1003-E1025 HydrophobicContact CD2-CG 4.35Å; F1003-E1025 HydrophobicContact CE2-CB 4.33Å; F1003-E1025 HydrophobicContact CE2-CG 3.71Å; F1003-G1029 WeakPolarHBondContact CZ-O 3.5Å; F1003-M1031 HydrophobicContact CD1-CB 4.36Å; F1003-M1031 HydrophobicContact CE1-CB 3.71Å
1004K88Confident91.1Very high2 Ų228.7 Ų28.71%0.00913%0.133CC..Hα-helixtrans-53.6-30.7173.269.6-172.2175.5-169.40113.6G664 I665 E783 G1002 N1008G664-K1004 PolarHBondContact O-NZ 3.48Å; I665-K1004 WeakPolarHBondContact O-CE 3.23Å; I665-K1004 PolarHBondContact O-NZ 3.45Å; E783-K1004 HydrophobicContact CB-CB 3.99Å; G1002-K1004 PolarHBondContact O-N 3.02Å; G1002-K1004 VanDerWaalsContact O-N 3.15Å; K1004-N1008 WeakPolarHBondContact O-CB 3.2Å; K1004-N1008 PolarHBondContact O-N 3.42Å
1005W89.8Confident91Very high58 Ų5832 Ų3222%0.2216%0.162CC..Hα-helixtrans-85.8-45.1177.6-55.5108.9000112.4L1000 V1001 G1002 F1003 N1008 R1009L1000-W1005 HydrophobicContact CB-CB 4.15Å; L1000-W1005 VanDerWaalsContact CB-CD1 3.44Å; L1000-W1005 HydrophobicContact CB-CD2 4.2Å; L1000-W1005 HydrophobicContact CB-CG 3.67Å; L1000-W1005 HydrophobicContact CD1-CD2 3.78Å; L1000-W1005 VanDerWaalsContact CD1-CE2 3.48Å; L1000-W1005 HydrophobicContact CD1-CE3 4.34Å; L1000-W1005 HydrophobicContact CD1-CG 4.13Å; L1000-W1005 HydrophobicContact CD1-CH2 4.36Å; L1000-W1005 HydrophobicContact CD1-CZ2 3.8Å; V1001-W1005 VanDerWaalsContact O-CD1 3.32Å; G1002-W1005 PolarHBondContact O-N 2.99Å; F1003-W1005 PolarHBondContact O-N 3.42Å; W1005-N1008 PolarHBondContact O-N 3.5Å; W1005-R1009 WeakPolarHBondContact O-CB 3.33Å; W1005-R1009 PolarHBondContact O-N 2.91Å
1006L93.3Very high90.9Very high0 Ų032.4 Ų32.40%017%0.174CC..Hα-helixtrans-58.1-54175.9-79.2173.4000111.3L976 T978 T999 F1003 R1009 A1010 A1023 E1025L976-L1006 HydrophobicContact CB-CD2 3.75Å; T978-L1006 HydrophobicContact CG2-CD1 3.69Å; T978-L1006 HydrophobicContact CG2-CD2 4.45Å; T978-L1006 HydrophobicContact CG2-CG 4.08Å; T999-L1006 HydrophobicContact CG2-CD2 4.25Å; T999-L1006 WeakPolarHBondContact OG1-CD2 3.29Å; T999-L1006 WeakPolarHBondContact OG1-CG 3.41Å; F1003-L1006 HydrophobicContact CD1-CB 4.42Å; F1003-L1006 HydrophobicContact CD1-CD1 4.31Å; F1003-L1006 HydrophobicContact CE1-CD1 4.07Å; F1003-L1006 HydrophobicContact CE2-CD1 4.34Å; F1003-L1006 HydrophobicContact CZ-CD1 4.08Å; F1003-L1006 PolarHBondContact O-N 2.9Å; L1006-R1009 PolarHBondContact O-N 3.5Å; L1006-A1010 WeakPolarHBondContact O-CB 3.37Å; L1006-A1010 PolarHBondContact O-N 2.85Å; L1006-A1023 HydrophobicContact CB-CB 4.05Å; L1006-A1023 HydrophobicContact CD2-CB 4.2Å; L1006-E1025 HydrophobicContact CD1-CB 4.32Å
1007A94.7Very high90.7Very high0 Ų040.8 Ų40.80%021%0.208CC..Hα-helixtrans-66.3-39.3-179.400000111.6V782 F1003 R1009 A1010 N1011 M1031 M1036V782-A1007 HydrophobicContact CB-CB 4.47Å; V782-A1007 HydrophobicContact CG1-CB 3.86Å; V782-A1007 HydrophobicContact CG2-CB 4.06Å; F1003-A1007 WeakPolarHBondContact O-CB 3.49Å; F1003-A1007 PolarHBondContact O-N 3.44Å; A1007-R1009 VanDerWaalsContact C-N 3.32Å; A1007-R1009 PolarHBondContact O-N 3.16Å; A1007-A1010 PolarHBondContact O-N 3.31Å; A1007-N1011 WeakPolarHBondContact O-CB 3.4Å; A1007-N1011 PolarHBondContact O-N 2.96Å; A1007-M1031 HydrophobicContact CB-SD 3.89Å; A1007-M1036 HydrophobicContact CB-CB 4.47Å; A1007-M1036 HydrophobicContact CB-CE 4.25Å; A1007-M1036 WeakPolarHBondContact CB-O 3.31Å; A1007-M1036 WeakPolarHBondContact O-CE 3.19Å
1008N92.9Very high90.7Very high47 Ų4741 Ų4125%0.25121%0.208SC..Hα-helixtrans-64.2-39174.8-170.245.4000111.7V782 K1004 W1005 N1011 N1012V782-N1008 HydrophobicContact CG1-CB 4.01Å; K1004-N1008 WeakPolarHBondContact O-CB 3.2Å; K1004-N1008 PolarHBondContact O-N 3.42Å; W1005-N1008 PolarHBondContact O-N 3.5Å; N1008-N1011 WeakPolarHBondContact O-CB 3.31Å; N1008-N1011 PolarHBondContact O-N 2.64Å; N1008-N1012 VanDerWaalsContact O-CG 3.23Å; N1008-N1012 PolarHBondContact O-N 3.37Å; N1008-N1012 VanDerWaalsContact O-N 3.07Å; N1008-N1012 PolarHBondContact O-ND2 3.35Å; N1008-N1012 VanDerWaalsContact O-ND2 3.14Å
1009R93.6Very high90.7Very high85 Ų8542 Ų4232%0.32122%0.218SC..Hα-helixtrans-66.9-43.7175.2-177.554.1178.4170.7-0.7111.5L976 E997 T999 W1005 L1006 A1007 N1011 N1012 L1013L976-R1009 HydrophobicContact CD1-CB 4.1Å; L976-R1009 HydrophobicContact CD1-CG 3.99Å; L976-R1009 HydrophobicContact CD2-CG 4.33Å; E997-R1009 VanDerWaalsContact CD-NH2 3.26Å; E997-R1009 IonicContact OE1-CZ 3.57Å; E997-R1009 IonicContact OE1-NH2 2.57Å; E997-R1009 PolarHBondContact OE1-NH2 3.18Å; E997-R1009 IonicContact OE2-CZ 3.63Å; E997-R1009 IonicContact OE2-NE 2.93Å; E997-R1009 PolarHBondContact OE2-NE 3.43Å; E997-R1009 IonicContact OE2-NH2 3.79Å; E997-R1009 PolarHBondContact OE2-NH2 2.99Å; T999-R1009 HydrophobicContact CG2-CB 3.85Å; T999-R1009 HydrophobicContact CG2-CG 4.13Å; W1005-R1009 WeakPolarHBondContact O-CB 3.33Å; W1005-R1009 PolarHBondContact O-N 2.91Å; L1006-R1009 PolarHBondContact O-N 3.5Å; A1007-R1009 VanDerWaalsContact C-N 3.32Å; A1007-R1009 PolarHBondContact O-N 3.16Å; R1009-N1011 VanDerWaalsContact C-N 3.29Å; R1009-N1011 PolarHBondContact O-N 2.79Å; R1009-N1012 PolarHBondContact O-N 3.1Å; R1009-L1013 HydrophobicContact CG-CD1 4.14Å; R1009-L1013 WeakPolarHBondContact O-CG 3.33Å; R1009-L1013 PolarHBondContact O-N 2.97Å
1010A95Very high91Very high0 Ų041.9 Ų41.90%022%0.218CC..Hα-helixtrans-57.7-43.417400000111.5L976 L1006 A1007 N1012 L1013 R1014 V1020 M1031 M1036L976-A1010 HydrophobicContact CD1-CB 3.87Å; L1006-A1010 WeakPolarHBondContact O-CB 3.37Å; L1006-A1010 PolarHBondContact O-N 2.85Å; A1007-A1010 PolarHBondContact O-N 3.31Å; A1010-N1012 PolarHBondContact O-N 2.96Å; A1010-L1013 PolarHBondContact O-N 2.97Å; A1010-R1014 WeakPolarHBondContact O-CB 3.28Å; A1010-R1014 WeakPolarHBondContact O-CG 3.33Å; A1010-R1014 PolarHBondContact O-N 3.18Å; A1010-V1020 HydrophobicContact CB-CB 4.49Å; A1010-V1020 HydrophobicContact CB-CG1 3.97Å; A1010-V1020 HydrophobicContact CB-CG2 4.38Å; A1010-M1031 HydrophobicContact CB-CE 3.52Å; A1010-M1036 HydrophobicContact CB-CE 4.04Å
1011N93.9Very high91.6Very high42 Ų4242.4 Ų42.423%0.22522%0.22CC..Hα-helixtrans-58.2-47.8176.8-173.161.5000111.4N780 V782 A1007 N1008 R1009 L1013 R1014 A1015 M1036N780-N1011 PolarHBondContact ND2-ND2 3.07Å; V782-N1011 HydrophobicContact CG2-CB 4.19Å; A1007-N1011 WeakPolarHBondContact O-CB 3.4Å; A1007-N1011 PolarHBondContact O-N 2.96Å; N1008-N1011 WeakPolarHBondContact O-CB 3.31Å; N1008-N1011 PolarHBondContact O-N 2.64Å; R1009-N1011 VanDerWaalsContact C-N 3.29Å; R1009-N1011 PolarHBondContact O-N 2.79Å; N1011-L1013 VanDerWaalsContact C-N 3.33Å; N1011-L1013 PolarHBondContact O-N 3.04Å; N1011-R1014 PolarHBondContact O-N 3.44Å; N1011-A1015 VanDerWaalsContact O-CB 3.3Å; N1011-A1015 WeakPolarHBondContact O-CB 3.42Å; N1011-A1015 PolarHBondContact O-N 3.3Å; N1011-M1036 HydrophobicContact CB-CE 3.62Å
1012N93.8Very high92.3Very high68 Ų6841.9 Ų41.936%0.36422%0.217SC..Hα-helixtrans-64.7-37.2-179.8-67.7-28000112.4N1008 R1009 A1010 S1016N1008-N1012 VanDerWaalsContact O-CG 3.23Å; N1008-N1012 PolarHBondContact O-N 3.37Å; N1008-N1012 VanDerWaalsContact O-N 3.07Å; N1008-N1012 PolarHBondContact O-ND2 3.35Å; N1008-N1012 VanDerWaalsContact O-ND2 3.14Å; R1009-N1012 PolarHBondContact O-N 3.1Å; A1010-N1012 PolarHBondContact O-N 2.96Å; N1012-S1016 PolarHBondContact O-N 3.04Å; N1012-S1016 PolarHBondContact O-OG 3.34Å
1013L94.6Very high93Very high2 Ų241.8 Ų41.81%0.0122%0.216CC..Hα-helixtrans-67.7-48.5174.9-69.9169.2000111Y974 L976 R1009 A1010 N1011 A1015 S1016 K1017 K1018 V1020Y974-L1013 HydrophobicContact CD1-CD1 3.8Å; Y974-L1013 HydrophobicContact CD1-CD2 4.17Å; Y974-L1013 HydrophobicContact CD2-CD2 4.39Å; Y974-L1013 HydrophobicContact CE1-CD1 4.35Å; Y974-L1013 HydrophobicContact CE1-CD2 3.92Å; Y974-L1013 HydrophobicContact CE2-CD2 4.18Å; Y974-L1013 HydrophobicContact CG-CD1 3.87Å; Y974-L1013 HydrophobicContact CG-CD2 4.39Å; L976-L1013 HydrophobicContact CD1-CD1 4.16Å; L976-L1013 HydrophobicContact CD2-CD1 3.88Å; L976-L1013 HydrophobicContact CG-CD1 4.5Å; R1009-L1013 HydrophobicContact CG-CD1 4.14Å; R1009-L1013 WeakPolarHBondContact O-CG 3.33Å; R1009-L1013 PolarHBondContact O-N 2.97Å; A1010-L1013 PolarHBondContact O-N 2.97Å; N1011-L1013 VanDerWaalsContact C-N 3.33Å; N1011-L1013 PolarHBondContact O-N 3.04Å; L1013-A1015 VanDerWaalsContact C-N 3.34Å; L1013-A1015 PolarHBondContact O-N 2.91Å; L1013-S1016 CarbonylContact O-C 3.01Å; L1013-S1016 WeakPolarHBondContact O-CA 3.43Å; L1013-S1016 WeakPolarHBondContact O-CB 3.06Å; L1013-S1016 PolarHBondContact O-N 3.4Å; L1013-K1017 PolarHBondContact O-N 3.47Å; L1013-K1018 HydrophobicContact CB-CB 4.18Å; L1013-K1018 HydrophobicContact CB-CD 4.48Å; L1013-K1018 HydrophobicContact CD2-CD 3.52Å; L1013-K1018 WeakPolarHBondContact O-CB 3.39Å; L1013-K1018 PolarHBondContact O-N 2.95Å; L1013-V1020 HydrophobicContact CB-CG2 3.68Å; L1013-V1020 HydrophobicContact CD1-CG2 3.98Å
1014R92.7Very high93.4Very high80 Ų8041.3 Ų41.330%0.30221%0.214SC..Hα-helixtrans-59.1-42.3176-72.5177178.8-174.4-3111.7A1010 N1011 S1016 K1017 V1020 G1033 M1036A1010-R1014 WeakPolarHBondContact O-CB 3.28Å; A1010-R1014 WeakPolarHBondContact O-CG 3.33Å; A1010-R1014 PolarHBondContact O-N 3.18Å; N1011-R1014 PolarHBondContact O-N 3.44Å; R1014-S1016 PolarHBondContact O-N 3.29Å; R1014-K1017 WeakPolarHBondContact O-CA 3.49Å; R1014-K1017 PolarHBondContact O-N 2.99Å; R1014-V1020 HydrophobicContact CG-CG2 4.17Å; R1014-G1033 PolarHBondContact NH1-O 2.87Å; R1014-G1033 PolarHBondContact NH2-O 3.05Å; R1014-M1036 PolarHBondContact NH1-SD 3.07Å
1015A90.6Very high93.6Very high78 Ų7842 Ų4265%0.64522%0.217SC*.Hα-helixtrans-61.8-28.5173.900000112.9N1011 L1013 K1017N1011-A1015 VanDerWaalsContact O-CB 3.3Å; N1011-A1015 WeakPolarHBondContact O-CB 3.42Å; N1011-A1015 PolarHBondContact O-N 3.3Å; L1013-A1015 VanDerWaalsContact C-N 3.34Å; L1013-A1015 PolarHBondContact O-N 2.91Å; A1015-K1017 PolarHBondContact O-N 3.45Å
1016S92.5Very high93.6Very high80 Ų8039.6 Ų39.656%0.55921%0.209SC*.THydrogen-bonded Turntrans-86.816172.5-52.30000113N1012 L1013 R1014 K1018N1012-S1016 PolarHBondContact O-N 3.04Å; N1012-S1016 PolarHBondContact O-OG 3.34Å; L1013-S1016 CarbonylContact O-C 3.01Å; L1013-S1016 WeakPolarHBondContact O-CA 3.43Å; L1013-S1016 WeakPolarHBondContact O-CB 3.06Å; L1013-S1016 PolarHBondContact O-N 3.4Å; R1014-S1016 PolarHBondContact O-N 3.29Å; S1016-K1018 PolarHBondContact O-N 3.32Å
1017K90.9Very high93.4Very high202 Ų20239.8 Ų39.888%0.87821%0.21SC*.THydrogen-bonded Turntrans59.327.3-177.7-56.1-176.3177.6-177.70114.6L1013 R1014 A1015L1013-K1017 PolarHBondContact O-N 3.47Å; R1014-K1017 WeakPolarHBondContact O-CA 3.49Å; R1014-K1017 PolarHBondContact O-N 2.99Å; A1015-K1017 PolarHBondContact O-N 3.45Å
1018K92.6Very high93.3Very high57 Ų5740.1 Ų40.125%0.24821%0.212CC..  trans-92.7143.7175-61.5171.1168.7-158.50110.3E972 Y974 L1013 S1016E972-K1018 WeakPolarHBondContact OE2-CE 3.4Å; E972-K1018 IonicContact OE2-NZ 3.74Å; E972-K1018 PolarHBondContact OE2-NZ 3.15Å; Y974-K1018 HydrophobicContact CD2-CB 4.05Å; Y974-K1018 HydrophobicContact CD2-CD 4.39Å; Y974-K1018 HydrophobicContact CE2-CB 3.96Å; Y974-K1018 HydrophobicContact CE2-CD 3.58Å; Y974-K1018 HydrophobicContact CE2-CG 4.07Å; Y974-K1018 PolarHBondContact OH-NZ 2.85Å; L1013-K1018 HydrophobicContact CB-CB 4.18Å; L1013-K1018 HydrophobicContact CB-CD 4.48Å; L1013-K1018 HydrophobicContact CD2-CD 3.52Å; L1013-K1018 WeakPolarHBondContact O-CB 3.39Å; L1013-K1018 PolarHBondContact O-N 2.95Å; S1016-K1018 PolarHBondContact O-N 3.32Å
1019A91.5Very high93.5Very high36 Ų3637.9 Ų37.930%0.29820%0.2SC..EExtended strand (participates in β ladder)trans-80.8131.5176.700000109.7W961 E972 V973 Y974W961-A1019 HydrophobicContact CZ2-CB 4.48Å; E972-A1019 PolarHBondContact O-N 3.28Å; V973-A1019 CarbonylContact C-O 3.52Å; V973-A1019 WeakPolarHBondContact CA-O 3.33Å; V973-A1019 HydrophobicContact CG2-CB 4.38Å; Y974-A1019 PolarHBondContact N-O 2.91Å
1020V95Very high93.7Very high11 Ų1133.9 Ų33.97%0.06719%0.185CC..EExtended strand (participates in β ladder)trans-120.6107.1173.2-177.50000106.8Y974 L976 A1010 L1013 R1014Y974-V1020 WeakPolarHBondContact O-CA 3.22Å; L976-V1020 HydrophobicContact CD1-CG1 4.15Å; L976-V1020 HydrophobicContact CG-CG1 4.25Å; A1010-V1020 HydrophobicContact CB-CB 4.49Å; A1010-V1020 HydrophobicContact CB-CG1 3.97Å; A1010-V1020 HydrophobicContact CB-CG2 4.38Å; L1013-V1020 HydrophobicContact CB-CG2 3.68Å; L1013-V1020 HydrophobicContact CD1-CG2 3.98Å; R1014-V1020 HydrophobicContact CG-CG2 4.17Å
1021L94.8Very high93.7Very high19 Ų1933.9 Ų33.910%0.09919%0.185CC..EExtended strand (participates in β ladder)trans-80-34.3-176.5-62-176.2000112.3W958 W961 V973 Y974 I975W958-L1021 HydrophobicContact CE3-CD1 4.05Å; W961-L1021 HydrophobicContact CB-CD1 3.97Å; W961-L1021 HydrophobicContact CB-CD2 4.13Å; W961-L1021 HydrophobicContact CD2-CD1 4.16Å; W961-L1021 HydrophobicContact CD2-CD2 3.9Å; W961-L1021 HydrophobicContact CE3-CD1 4.39Å; W961-L1021 HydrophobicContact CG-CD1 3.97Å; W961-L1021 HydrophobicContact CG-CD2 3.52Å; W961-L1021 HydrophobicContact CG-CG 4.41Å; V973-L1021 HydrophobicContact CG1-CD1 3.48Å; V973-L1021 VanDerWaalsContact CG1-CD1 3.48Å; V973-L1021 HydrophobicContact CG1-CD2 4.23Å; V973-L1021 HydrophobicContact CG1-CG 3.52Å; Y974-L1021 PolarHBondContact O-N 3.05Å; I975-L1021 HydrophobicContact CG1-CB 4.32Å
1022L97.2Very high93.8Very high0 Ų032.2 Ų32.20%018%0.177CC..EExtended strand (participates in β ladder)trans-155.7136.5-175.7-178.163.3000110.4L953 L957 I975 L976 W1024 P1032L953-L1022 HydrophobicContact CB-CD2 4.19Å; L953-L1022 HydrophobicContact CD2-CD1 3.51Å; L953-L1022 HydrophobicContact CD2-CD2 4.01Å; L953-L1022 HydrophobicContact CD2-CG 4.42Å; L953-L1022 HydrophobicContact CG-CD1 4.06Å; L953-L1022 HydrophobicContact CG-CD2 3.89Å; L957-L1022 HydrophobicContact CD1-CB 4.02Å; L957-L1022 HydrophobicContact CD1-CD1 4.11Å; L957-L1022 HydrophobicContact CD1-CD2 4.42Å; L957-L1022 HydrophobicContact CD1-CG 4.4Å; I975-L1022 CarbonylContact C-O 3.54Å; I975-L1022 WeakPolarHBondContact CA-O 3.42Å; I975-L1022 HydrophobicContact CG1-CB 4.4Å; I975-L1022 HydrophobicContact CG2-CB 4.26Å; L976-L1022 PolarHBondContact N-O 3.06Å; L1022-W1024 HydrophobicContact CD1-CB 4.34Å; L1022-W1024 HydrophobicContact CD2-CB 4.37Å; L1022-W1024 HydrophobicContact CD2-CG 4.09Å; L1022-W1024 HydrophobicContact CG-CB 4.21Å; L1022-W1024 HydrophobicContact CG-CG 4.31Å; L1022-P1032 HydrophobicContact CD1-CB 4.18Å
1023A97Very high93.4Very high0 Ų029.2 Ų29.20%016%0.161CC..EExtended strand (participates in β ladder)trans-120.9130.5157.800000108.9L976 L1006 M1031L976-A1023 HydrophobicContact CB-CB 3.93Å; L976-A1023 HydrophobicContact CD1-CB 4.34Å; L976-A1023 CarbonylContact O-C 3.39Å; L976-A1023 VanDerWaalsContact O-CA 3.26Å; L976-A1023 WeakPolarHBondContact O-CA 3.24Å; L1006-A1023 HydrophobicContact CB-CB 4.05Å; L1006-A1023 HydrophobicContact CD2-CB 4.2Å; A1023-M1031 HydrophobicContact CB-CB 4.37Å; A1023-M1031 HydrophobicContact CB-CE 3.62Å; A1023-M1031 PolarHBondContact N-O 3.03Å; A1023-M1031 VanDerWaalsContact N-O 3.17Å; A1023-M1031 PolarHBondContact O-N 3.27Å
1024W97Very high93.1Very high0 Ų030.8 Ų30.80%017%0.169CC..EExtended strand (participates in β ladder)trans-148.4158.7-174.870.8-81.1000114.3L976 N977 T978 L1022 G1029 Y1030L976-W1024 PolarHBondContact O-N 2.66Å; N977-W1024 WeakPolarHBondContact CA-O 3.45Å; N977-W1024 HydrophobicContact CB-CD2 4.31Å; N977-W1024 HydrophobicContact CB-CG 4.4Å; N977-W1024 HydrophobicContact CB-CZ2 4.43Å; N977-W1024 WeakPolarHBondContact CB-O 3.24Å; T978-W1024 PolarHBondContact N-O 3.42Å; L1022-W1024 HydrophobicContact CD1-CB 4.34Å; L1022-W1024 HydrophobicContact CD2-CB 4.37Å; L1022-W1024 HydrophobicContact CD2-CG 4.09Å; L1022-W1024 HydrophobicContact CG-CB 4.21Å; L1022-W1024 HydrophobicContact CG-CG 4.31Å; W1024-G1029 WeakPolarHBondContact CA-O 3.34Å; W1024-Y1030 HydrophobicContact CB-CD1 3.59Å; W1024-Y1030 HydrophobicContact CB-CE1 4.15Å; W1024-Y1030 HydrophobicContact CE3-CE1 4.02Å; W1024-Y1030 HydrophobicContact CG-CD1 4.39Å
1025E92.1Very high93.2Very high17 Ų1727 Ų278%0.07916%0.155CC..EExtended strand (participates in β ladder)trans-133.7155.9172.683.2-170.6171.500111.9T978 S981 G1002 F1003 L1006 A1027 G1029T978-E1025 HydrophobicContact CG2-CB 3.43Å; T978-E1025 VanDerWaalsContact CG2-CB 3.43Å; S981-E1025 WeakPolarHBondContact OG-CA 3.46Å; G1002-E1025 PolarHBondContact N-OE2 2.74Å; G1002-E1025 VanDerWaalsContact N-OE2 3.13Å; F1003-E1025 HydrophobicContact CD2-CG 4.35Å; F1003-E1025 HydrophobicContact CE2-CB 4.33Å; F1003-E1025 HydrophobicContact CE2-CG 3.71Å; L1006-E1025 HydrophobicContact CD1-CB 4.32Å; E1025-A1027 HydrophobicContact CG-CB 4.12Å; E1025-A1027 PolarHBondContact O-N 2.82Å; E1025-G1029 PolarHBondContact N-O 3.27Å
1026E90Very high93.4Very high7 Ų723.5 Ų23.53%0.03313%0.125CC..THydrogen-bonded Turntrans-68.2-17.1-174.677.5-68.2169.400113.4G946 N947 T978 G980 S981 L1028 R1158 N1169G946-E1026 WeakPolarHBondContact CA-O 3.44Å; N947-E1026 WeakPolarHBondContact OD1-CB 3.35Å; T978-E1026 PolarHBondContact OG1-OE2 3.04Å; G980-E1026 VanDerWaalsContact C-OE2 3.25Å; S981-E1026 WeakPolarHBondContact CA-OE2 3.34Å; S981-E1026 PolarHBondContact N-OE2 3.39Å; S981-E1026 PolarHBondContact OG-N 3.31Å; S981-E1026 VanDerWaalsContact OG-N 3.16Å; S981-E1026 PolarHBondContact OG-OE2 3.18Å; E1026-L1028 PolarHBondContact O-N 3.03Å; E1026-R1158 IonicContact OE1-CZ 3.83Å; E1026-R1158 IonicContact OE1-NE 3.85Å; E1026-R1158 IonicContact OE1-NH2 2.77Å; E1026-R1158 PolarHBondContact OE1-NH2 3.4Å; E1026-N1169 VanDerWaalsContact CD-ND2 3.29Å; E1026-N1169 PolarHBondContact OE1-ND2 2.86Å
1027A88.9Confident93.6Very high5 Ų519.8 Ų19.84%0.04110%0.1CC..THydrogen-bonded Turntrans-80.135.9177.400000112.1H929 E1025 G1029H929-A1027 PolarHBondContact CE1-O 2.97Å; H929-A1027 VanDerWaalsContact CE1-O 3.27Å; H929-A1027 PolarHBondContact ND1-O 2.91Å; E1025-A1027 HydrophobicContact CG-CB 4.12Å; E1025-A1027 PolarHBondContact O-N 2.82Å; A1027-G1029 VanDerWaalsContact C-N 3.28Å; A1027-G1029 PolarHBondContact O-N 2.89Å
1028L93.7Very high93.8Very high7 Ų710.3 Ų10.34%0.0376%0.058CC..THydrogen-bonded Turntrans67.718.1173.7-54.2171.5000115.7L898 E899 H929 F930 C931 I949 E1026 Y1030L898-L1028 HydrophobicContact CB-CD1 3.43Å; L898-L1028 VanDerWaalsContact CB-CD1 3.43Å; E899-L1028 HydrophobicContact CG-CD1 3.94Å; E899-L1028 HydrophobicContact CG-CG 4.48Å; H929-L1028 CarbonylContact C-O 3.52Å; H929-L1028 VanDerWaalsContact CA-O 3.25Å; H929-L1028 WeakPolarHBondContact CA-O 3.25Å; H929-L1028 HydrophobicContact CB-CB 4.2Å; F930-L1028 PolarHBondContact N-O 2.81Å; C931-L1028 HydrophobicContact CB-CD1 4.04Å; C931-L1028 HydrophobicContact CB-CD2 4.05Å; I949-L1028 HydrophobicContact CD1-CD2 3.99Å; E1026-L1028 PolarHBondContact O-N 3.03Å; L1028-Y1030 WeakPolarHBondContact O-CD2 3.26Å; L1028-Y1030 WeakPolarHBondContact O-CE2 3.19Å
1029G95.1Very high94Very high0 Ų07.6 Ų7.60%05%0.047CC..EExtended strand (participates in β ladder)trans-103.3135.6175.300000113.3F1003 W1024 E1025 A1027 S1038F1003-G1029 WeakPolarHBondContact CZ-O 3.5Å; W1024-G1029 WeakPolarHBondContact CA-O 3.34Å; E1025-G1029 PolarHBondContact N-O 3.27Å; A1027-G1029 VanDerWaalsContact C-N 3.28Å; A1027-G1029 PolarHBondContact O-N 2.89Å; G1029-S1038 VanDerWaalsContact C-OG 3.29Å; G1029-S1038 WeakPolarHBondContact CA-OG 3.19Å
1030Y97.8Very high94.3Very high0 Ų05.9 Ų5.90%03%0.033CC..EExtended strand (participates in β ladder)trans-143.4131.5-175.9-48.4-80.8000111F930 G946 I949 L953 W1024 L1028 P1032 S1038 D1039 T1043F930-Y1030 HydrophobicContact CB-CD2 4.17Å; F930-Y1030 HydrophobicContact CB-CE2 4.33Å; F930-Y1030 HydrophobicContact CD1-CD2 4.48Å; F930-Y1030 HydrophobicContact CD1-CE2 4.38Å; G946-Y1030 WeakPolarHBondContact CA-OH 2.97Å; G946-Y1030 PolarHBondContact O-OH 2.77Å; I949-Y1030 HydrophobicContact CB-CE1 4.21Å; I949-Y1030 HydrophobicContact CB-CE2 4.39Å; I949-Y1030 WeakPolarHBondContact CB-OH 3.24Å; I949-Y1030 HydrophobicContact CG2-CD1 4.41Å; I949-Y1030 HydrophobicContact CG2-CD2 4.34Å; I949-Y1030 HydrophobicContact CG2-CE1 3.76Å; I949-Y1030 HydrophobicContact CG2-CE2 3.64Å; L953-Y1030 HydrophobicContact CD2-CD1 3.77Å; L953-Y1030 HydrophobicContact CD2-CG 3.91Å; W1024-Y1030 HydrophobicContact CB-CD1 3.59Å; W1024-Y1030 HydrophobicContact CB-CE1 4.15Å; W1024-Y1030 HydrophobicContact CE3-CE1 4.02Å; W1024-Y1030 HydrophobicContact CG-CD1 4.39Å; L1028-Y1030 WeakPolarHBondContact O-CD2 3.26Å; L1028-Y1030 WeakPolarHBondContact O-CE2 3.19Å; Y1030-P1032 VanDerWaalsContact C-CD 3.48Å; Y1030-P1032 WeakPolarHBondContact O-CD 3.34Å; Y1030-S1038 PolarHBondContact N-OG 2.93Å; Y1030-S1038 PolarHBondContact O-OG 3.39Å; Y1030-D1039 PolarHBondContact O-N 3.15Å; Y1030-T1043 HydrophobicContact CD2-CG2 4.01Å; Y1030-T1043 HydrophobicContact CG-CG2 4.25Å
1031M96.9Very high94.4Very high1 Ų15.4 Ų5.41%0.0053%0.03CC..EExtended strand (participates in β ladder)trans-12380.4177.9-178.4-170.189.100109.8F1003 A1007 A1010 A1023 A1035 D1037F1003-M1031 HydrophobicContact CD1-CB 4.36Å; F1003-M1031 HydrophobicContact CE1-CB 3.71Å; A1007-M1031 HydrophobicContact CB-SD 3.89Å; A1010-M1031 HydrophobicContact CB-CE 3.52Å; A1023-M1031 HydrophobicContact CB-CB 4.37Å; A1023-M1031 HydrophobicContact CB-CE 3.62Å; A1023-M1031 PolarHBondContact N-O 3.03Å; A1023-M1031 VanDerWaalsContact N-O 3.17Å; A1023-M1031 PolarHBondContact O-N 3.27Å; M1031-A1035 VanDerWaalsContact CG-O 3.32Å; M1031-A1035 WeakPolarHBondContact CG-O 3.02Å; M1031-D1037 WeakPolarHBondContact CB-O 3.42Å; M1031-D1037 VanDerWaalsContact CG-O 3.25Å; M1031-D1037 WeakPolarHBondContact CG-O 3.33Å
1032P94.1Very high94.6Very high7 Ų74.5 Ų4.55%0.0453%0.025CC..  trans-83.6-23176.232.8-34.7000113.1L957 L1022 Y1030 I1042 I1046L957-P1032 HydrophobicContact CD1-CB 3.85Å; L1022-P1032 HydrophobicContact CD1-CB 4.18Å; Y1030-P1032 VanDerWaalsContact C-CD 3.48Å; Y1030-P1032 WeakPolarHBondContact O-CD 3.34Å; P1032-I1042 HydrophobicContact CG-CB 4.42Å; P1032-I1042 HydrophobicContact CG-CG2 3.94Å; P1032-I1046 HydrophobicContact CB-CD1 3.57Å; P1032-I1046 HydrophobicContact CG-CD1 3.52Å
1033G86.4Confident94.6Very high4 Ų44.5 Ų4.54%0.0413%0.025CC..SBendtrans-106.8-148.8-164.300000116.6R1014R1014-G1033 PolarHBondContact NH1-O 2.87Å; R1014-G1033 PolarHBondContact NH2-O 3.05Å
1034I89Confident94.7Very high35 Ų354.5 Ų4.518%0.1793%0.025CC..SBendtrans-81.1-28.3-173.962-168.8000113.5Y749 Y829 E832Y749-I1034 HydrophobicContact CD2-CB 4.16Å; Y749-I1034 HydrophobicContact CD2-CD1 3.71Å; Y749-I1034 HydrophobicContact CD2-CG1 3.62Å; Y749-I1034 HydrophobicContact CE1-CD1 4.43Å; Y749-I1034 HydrophobicContact CE2-CB 4.14Å; Y749-I1034 HydrophobicContact CE2-CD1 3.39Å; Y749-I1034 HydrophobicContact CE2-CG1 3.75Å; Y749-I1034 HydrophobicContact CG-CD1 4.35Å; Y749-I1034 HydrophobicContact CG-CG1 4.37Å; Y829-I1034 HydrophobicContact CD2-CD1 3.93Å; Y829-I1034 HydrophobicContact CD2-CG1 4.29Å; Y829-I1034 HydrophobicContact CE2-CD1 4.5Å; Y829-I1034 HydrophobicContact CE2-CG1 4.48Å; E832-I1034 HydrophobicContact CB-CD1 3.45Å; E832-I1034 VanDerWaalsContact CB-CD1 3.45Å; E832-I1034 HydrophobicContact CB-CG2 4.16Å
1035A94.4Very high94.6Very high0 Ų04.5 Ų4.50%03%0.025CC..SBendtrans-65.7147.4173.100000110.2P745 M1031 D1037P745-A1035 HydrophobicContact CB-CB 3.92Å; M1031-A1035 VanDerWaalsContact CG-O 3.32Å; M1031-A1035 WeakPolarHBondContact CG-O 3.02Å; A1035-D1037 VanDerWaalsContact C-N 3.3Å
1036M95.3Very high94.9Very high5 Ų53.7 Ų3.73%0.0252%0.021CC..SBendtrans-103.239.8176.6-65.9-62.2-60.300110.4S748 I752 V782 A1007 A1010 N1011 R1014S748-M1036 WeakPolarHBondContact OG-CA 3.33Å; S748-M1036 PolarHBondContact OG-N 3.32Å; I752-M1036 HydrophobicContact CD1-CB 3.98Å; I752-M1036 HydrophobicContact CD1-CG 3.4Å; V782-M1036 HydrophobicContact CG2-CB 3.9Å; V782-M1036 HydrophobicContact CG2-CE 3.9Å; A1007-M1036 HydrophobicContact CB-CB 4.47Å; A1007-M1036 HydrophobicContact CB-CE 4.25Å; A1007-M1036 WeakPolarHBondContact CB-O 3.31Å; A1007-M1036 WeakPolarHBondContact O-CE 3.19Å; A1010-M1036 HydrophobicContact CB-CE 4.04Å; N1011-M1036 HydrophobicContact CB-CE 3.62Å; R1014-M1036 PolarHBondContact NH1-SD 3.07Å
1037D95.1Very high95.3Very high3 Ų33.3 Ų3.32%0.0162%0.02CC..SBendtrans-149.8170.2175.8-159.55.1000108.9Y777 M1031 A1035 D1039Y777-D1037 HydrophobicContact CE1-CB 4.09Å; Y777-D1037 WeakPolarHBondContact CE1-OD2 3.39Å; Y777-D1037 PolarHBondContact OH-OD2 3.02Å; M1031-D1037 WeakPolarHBondContact CB-O 3.42Å; M1031-D1037 VanDerWaalsContact CG-O 3.25Å; M1031-D1037 WeakPolarHBondContact CG-O 3.33Å; A1035-D1037 VanDerWaalsContact C-N 3.3Å; D1037-D1039 PolarHBondContact O-N 3.44Å
1038S95.6Very high95.6Very high2 Ų23.1 Ų3.11%0.0142%0.018CC..  trans-60.8135.9173.7-168.80000111.1D928 G1029 Y1030D928-S1038 VanDerWaalsContact CB-O 3.25Å; D928-S1038 WeakPolarHBondContact CB-O 3.45Å; D928-S1038 WeakPolarHBondContact O-CB 3.33Å; D928-S1038 PolarHBondContact O-OG 3.15Å; G1029-S1038 VanDerWaalsContact C-OG 3.29Å; G1029-S1038 WeakPolarHBondContact CA-OG 3.19Å; Y1030-S1038 PolarHBondContact N-OG 2.93Å; Y1030-S1038 PolarHBondContact O-OG 3.39Å
1039D97Very high95.8Very high0 Ų02.8 Ų2.80%02%0.016CC..  trans-133.990.5-168.5-169.4-32.3000110.3P745 Y829 Y1030 D1037 I1041 I1042 T1043P745-D1039 HydrophobicContact CB-CB 3.92Å; P745-D1039 HydrophobicContact CG-CB 4.42Å; Y829-D1039 WeakPolarHBondContact CE2-OD2 3.37Å; Y829-D1039 PolarHBondContact OH-OD1 3.16Å; Y829-D1039 PolarHBondContact OH-OD2 2.64Å; Y1030-D1039 PolarHBondContact O-N 3.15Å; D1037-D1039 PolarHBondContact O-N 3.44Å; D1039-I1041 PolarHBondContact O-N 2.96Å; D1039-I1041 WeakPolarHBondContact OD1-CB 3.32Å; D1039-I1041 PolarHBondContact OD1-N 2.85Å; D1039-I1042 PolarHBondContact OD1-N 2.98Å; D1039-I1042 WeakPolarHBondContact OD2-CD1 3.36Å; D1039-T1043 WeakPolarHBondContact O-CB 3.45Å; D1039-T1043 PolarHBondContact O-N 3.37Å; D1039-T1043 PolarHBondContact O-OG1 2.61Å
1040A97.9Very high95.9Very high1 Ų12.8 Ų2.81%0.0082%0.016CC..Hα-helixtrans-71.6-19.517900000112.5T923 A927 H929 F930 C1044T923-A1040 HydrophobicContact CG2-CB 3.62Å; A927-A1040 VanDerWaalsContact O-CB 3.25Å; A927-A1040 WeakPolarHBondContact O-CB 3.46Å; A927-A1040 PolarHBondContact O-N 2.75Å; H929-A1040 WeakPolarHBondContact O-CB 3.34Å; F930-A1040 HydrophobicContact CB-CB 3.84Å; A1040-C1044 PolarHBondContact O-N 2.87Å; A1040-C1044 PolarHBondContact O-SG 3.32Å
1041I98.1Very high95.8Very high0 Ų03.4 Ų3.40%02%0.02CC..Hα-helixtrans-74.8-54.2-173.9-55.7159.3000109.6P743 P745 I746 Y829 F862 V863 V866 A927 D1039 T1043 C1044 A1045P743-I1041 HydrophobicContact CB-CD1 3.7Å; P743-I1041 HydrophobicContact CG-CD1 3.68Å; P745-I1041 HydrophobicContact CG-CD1 3.93Å; I746-I1041 HydrophobicContact CD1-CD1 4.42Å; I746-I1041 HydrophobicContact CG1-CD1 4.37Å; Y829-I1041 HydrophobicContact CE1-CD1 4.44Å; Y829-I1041 HydrophobicContact CE1-CG2 4.11Å; Y829-I1041 WeakPolarHBondContact OH-CB 3.4Å; F862-I1041 HydrophobicContact CB-CD1 3.81Å; F862-I1041 HydrophobicContact CB-CG1 4.27Å; F862-I1041 HydrophobicContact CB-CG2 3.94Å; F862-I1041 HydrophobicContact CG-CD1 4.36Å; V863-I1041 HydrophobicContact CG2-CB 4.3Å; V863-I1041 HydrophobicContact CG2-CG1 4.22Å; V863-I1041 HydrophobicContact CG2-CG2 4.06Å; V866-I1041 HydrophobicContact CB-CG2 4.22Å; V866-I1041 HydrophobicContact CG2-CG2 3.79Å; A927-I1041 HydrophobicContact CB-CG1 4.15Å; D1039-I1041 PolarHBondContact O-N 2.96Å; D1039-I1041 WeakPolarHBondContact OD1-CB 3.32Å; D1039-I1041 PolarHBondContact OD1-N 2.85Å; I1041-T1043 PolarHBondContact O-N 3.07Å; I1041-C1044 WeakPolarHBondContact O-CB 3.17Å; I1041-C1044 PolarHBondContact O-N 3.4Å; I1041-A1045 PolarHBondContact O-N 3.25Å
1042I97.4Very high95.7Very high0 Ų03.6 Ų3.60%02%0.021CC..Hα-helixtrans-64.4-36.4174.4-63.9178.4000109.7Y829 N836 P1032 D1039 C1044 A1045 I1046Y829-I1042 HydrophobicContact CE2-CD1 4.07Å; Y829-I1042 WeakPolarHBondContact OH-CG1 3.46Å; N836-I1042 HydrophobicContact CB-CG2 4.26Å; P1032-I1042 HydrophobicContact CG-CB 4.42Å; P1032-I1042 HydrophobicContact CG-CG2 3.94Å; D1039-I1042 PolarHBondContact OD1-N 2.98Å; D1039-I1042 WeakPolarHBondContact OD2-CD1 3.36Å; I1042-C1044 PolarHBondContact O-N 3.12Å; I1042-A1045 PolarHBondContact O-N 2.98Å; I1042-A1045 VanDerWaalsContact O-N 3.15Å; I1042-I1046 HydrophobicContact CG2-CD1 3.74Å; I1042-I1046 HydrophobicContact CG2-CG1 4.21Å; I1042-I1046 WeakPolarHBondContact O-CG1 3.47Å; I1042-I1046 PolarHBondContact O-N 3.03Å
1043T98.2Very high95.7Very high0 Ų06 Ų60%03%0.03CC..Hα-helixtrans-62.6-41.1177.4-55.50000112.1F930 L953 Y1030 D1039 I1041 A1045 I1046 F1047F930-T1043 HydrophobicContact CB-CG2 4.1Å; F930-T1043 HydrophobicContact CD1-CG2 3.37Å; F930-T1043 HydrophobicContact CE1-CG2 3.88Å; F930-T1043 HydrophobicContact CG-CG2 3.8Å; L953-T1043 HydrophobicContact CD2-CG2 4.3Å; Y1030-T1043 HydrophobicContact CD2-CG2 4.01Å; Y1030-T1043 HydrophobicContact CG-CG2 4.25Å; D1039-T1043 WeakPolarHBondContact O-CB 3.45Å; D1039-T1043 PolarHBondContact O-N 3.37Å; D1039-T1043 PolarHBondContact O-OG1 2.61Å; I1041-T1043 PolarHBondContact O-N 3.07Å; T1043-A1045 VanDerWaalsContact C-N 3.3Å; T1043-A1045 PolarHBondContact O-N 3.28Å; T1043-I1046 PolarHBondContact O-N 2.95Å; T1043-F1047 HydrophobicContact CG2-CD2 3.88Å; T1043-F1047 HydrophobicContact CG2-CE2 4Å; T1043-F1047 WeakPolarHBondContact O-CD2 3.36Å; T1043-F1047 PolarHBondContact O-N 3.28Å
1044C97.8Very high96.1Very high0 Ų05.9 Ų5.90%03%0.029CC..Hα-helixtrans-55.6-46.1172-74.90000111.6V863 F921 F930 A1040 I1041 I1042 F1047 A1048V863-C1044 HydrophobicContact CG1-CB 4.06Å; F921-C1044 HydrophobicContact CD2-CB 4.07Å; F921-C1044 WeakPolarHBondContact CE2-O 3.43Å; F930-C1044 WeakPolarHBondContact CD2-SG 3.41Å; F930-C1044 HydrophobicContact CE2-CB 4.26Å; F930-C1044 WeakPolarHBondContact CE2-SG 3.13Å; A1040-C1044 PolarHBondContact O-N 2.87Å; A1040-C1044 PolarHBondContact O-SG 3.32Å; I1041-C1044 WeakPolarHBondContact O-CB 3.17Å; I1041-C1044 PolarHBondContact O-N 3.4Å; I1042-C1044 PolarHBondContact O-N 3.12Å; C1044-F1047 PolarHBondContact O-N 2.88Å; C1044-A1048 PolarHBondContact O-N 2.95Å
1045A96.7Very high96.2Very high0 Ų011.5 Ų11.50%05%0.049CC..Hα-helixtrans-69.1-38.7-177.500000112.8V866 L867 F870 I1041 I1042 T1043 F1047 A1048 D1049V866-A1045 HydrophobicContact CB-CB 4.46Å; V866-A1045 HydrophobicContact CG1-CB 3.45Å; V866-A1045 VanDerWaalsContact CG1-CB 3.45Å; L867-A1045 HydrophobicContact CD2-CB 4.28Å; F870-A1045 HydrophobicContact CD1-CB 3.63Å; F870-A1045 WeakPolarHBondContact CD1-O 3.48Å; F870-A1045 HydrophobicContact CD2-CB 4.19Å; F870-A1045 HydrophobicContact CE1-CB 3.66Å; F870-A1045 HydrophobicContact CE2-CB 4.21Å; F870-A1045 HydrophobicContact CG-CB 3.91Å; F870-A1045 HydrophobicContact CZ-CB 3.95Å; I1041-A1045 PolarHBondContact O-N 3.25Å; I1042-A1045 PolarHBondContact O-N 2.98Å; I1042-A1045 VanDerWaalsContact O-N 3.15Å; T1043-A1045 VanDerWaalsContact C-N 3.3Å; T1043-A1045 PolarHBondContact O-N 3.28Å; A1045-F1047 VanDerWaalsContact C-N 3.34Å; A1045-F1047 PolarHBondContact O-N 2.95Å; A1045-A1048 PolarHBondContact O-N 3.23Å; A1045-D1049 PolarHBondContact O-N 3.4Å
1046I97.7Very high96Very high0 Ų015.2 Ų15.20%07%0.071CC..Hα-helixtrans-60.4-43.6172.5-69.9164.3000111N836 F870 L953 W956 L957 P1032 I1042 T1043 A1048 D1049 F1050N836-I1046 HydrophobicContact CB-CD1 3.94Å; N836-I1046 HydrophobicContact CB-CG1 3.87Å; F870-I1046 HydrophobicContact CE1-CG1 4.45Å; L953-I1046 HydrophobicContact CD1-CB 4.4Å; L953-I1046 HydrophobicContact CD1-CD1 4.35Å; L953-I1046 HydrophobicContact CD1-CG2 3.55Å; W956-I1046 VanDerWaalsContact CD1-CG2 3.42Å; L957-I1046 HydrophobicContact CD2-CD1 4.2Å; P1032-I1046 HydrophobicContact CB-CD1 3.57Å; P1032-I1046 HydrophobicContact CG-CD1 3.52Å; I1042-I1046 HydrophobicContact CG2-CD1 3.74Å; I1042-I1046 HydrophobicContact CG2-CG1 4.21Å; I1042-I1046 WeakPolarHBondContact O-CG1 3.47Å; I1042-I1046 PolarHBondContact O-N 3.03Å; T1043-I1046 PolarHBondContact O-N 2.95Å; I1046-A1048 VanDerWaalsContact C-N 3.34Å; I1046-D1049 WeakPolarHBondContact O-CB 3.36Å; I1046-D1049 PolarHBondContact O-N 3.43Å; I1046-F1050 WeakPolarHBondContact O-CB 3.44Å; I1046-F1050 PolarHBondContact O-N 2.8Å
1047F97.8Very high95.9Very high0 Ų019.7 Ų19.70%09%0.092CC..Hα-helixtrans-71.9-27.1178.5-88.8-86.6000113.1F921 F930 F932 I949 L952 L953 T1043 C1044 A1045 F1050 S1051 F1061F921-F1047 HydrophobicContact CE1-CB 4.13Å; F921-F1047 HydrophobicContact CZ-CB 3.79Å; F930-F1047 HydrophobicContact CD1-CD2 4.29Å; F930-F1047 HydrophobicContact CD1-CE2 4.45Å; F930-F1047 HydrophobicContact CE1-CB 4.3Å; F930-F1047 AromaticContact CE1-CD2 3.43Å; F930-F1047 HydrophobicContact CE1-CD2 3.43Å; F930-F1047 VanDerWaalsContact CE1-CD2 3.43Å; F930-F1047 AromaticContact CE1-CE2 3.83Å; F930-F1047 HydrophobicContact CE1-CE2 3.83Å; F930-F1047 AromaticContact CE1-CG 3.85Å; F930-F1047 HydrophobicContact CE1-CG 3.85Å; F930-F1047 HydrophobicContact CZ-CB 3.96Å; F930-F1047 AromaticContact CZ-CD2 3.96Å; F930-F1047 HydrophobicContact CZ-CD2 3.96Å; F930-F1047 HydrophobicContact CZ-CG 4.01Å; F932-F1047 HydrophobicContact CD1-CD1 4.1Å; F932-F1047 HydrophobicContact CD1-CE1 4.17Å; F932-F1047 AromaticContact CE1-CD1 3.58Å; F932-F1047 HydrophobicContact CE1-CD1 3.58Å; F932-F1047 AromaticContact CE1-CE1 3.32Å; F932-F1047 HydrophobicContact CE1-CE1 3.32Å; F932-F1047 HydrophobicContact CE1-CG 4.41Å; F932-F1047 AromaticContact CE1-CZ 3.97Å; F932-F1047 HydrophobicContact CE1-CZ 3.97Å; F932-F1047 AromaticContact CZ-CD1 3.88Å; F932-F1047 HydrophobicContact CZ-CD1 3.88Å; F932-F1047 AromaticContact CZ-CE1 3.73Å; F932-F1047 HydrophobicContact CZ-CE1 3.73Å; I949-F1047 HydrophobicContact CB-CZ 4.41Å; I949-F1047 HydrophobicContact CG2-CE2 3.64Å; I949-F1047 HydrophobicContact CG2-CZ 3.59Å; L952-F1047 HydrophobicContact CB-CE1 4.03Å; L952-F1047 HydrophobicContact CB-CZ 4.05Å; L952-F1047 HydrophobicContact CD1-CE1 4.19Å; L953-F1047 HydrophobicContact CB-CE2 4.18Å; L953-F1047 HydrophobicContact CB-CZ 4.26Å; L953-F1047 HydrophobicContact CD1-CE2 4.03Å; T1043-F1047 HydrophobicContact CG2-CD2 3.88Å; T1043-F1047 HydrophobicContact CG2-CE2 4Å; T1043-F1047 WeakPolarHBondContact O-CD2 3.36Å; T1043-F1047 PolarHBondContact O-N 3.28Å; C1044-F1047 PolarHBondContact O-N 2.88Å; A1045-F1047 VanDerWaalsContact C-N 3.34Å; A1045-F1047 PolarHBondContact O-N 2.95Å; F1047-F1050 HydrophobicContact CD1-CD1 4.44Å; F1047-F1050 HydrophobicContact CE1-CD1 4.34Å; F1047-S1051 WeakPolarHBondContact O-CB 3.39Å; F1047-S1051 PolarHBondContact O-N 2.8Å; F1047-F1061 HydrophobicContact CD1-CD1 4.38Å; F1047-F1061 AromaticContact CD1-CE1 3.61Å; F1047-F1061 HydrophobicContact CD1-CE1 3.61Å; F1047-F1061 AromaticContact CD1-CZ 3.89Å; F1047-F1061 HydrophobicContact CD1-CZ 3.89Å; F1047-F1061 HydrophobicContact CE1-CD1 4.4Å; F1047-F1061 AromaticContact CE1-CE1 3.98Å; F1047-F1061 HydrophobicContact CE1-CE1 3.98Å
1048A96.7Very high95.8Very high0 Ų025 Ų250%013%0.129CC..Hα-helixtrans-67.5-44.6169.200000111.6I850 L867 F872 F921 C1044 A1045 I1046 F1050 S1051 T1052I850-A1048 HydrophobicContact CD1-CB 3.74Å; L867-A1048 HydrophobicContact CD2-CB 3.48Å; L867-A1048 VanDerWaalsContact CD2-CB 3.48Å; F872-A1048 HydrophobicContact CD1-CB 4.46Å; F872-A1048 HydrophobicContact CD2-CB 4Å; F872-A1048 HydrophobicContact CE1-CB 3.96Å; F872-A1048 HydrophobicContact CE2-CB 3.43Å; F872-A1048 VanDerWaalsContact CE2-CB 3.43Å; F872-A1048 HydrophobicContact CG-CB 4.5Å; F872-A1048 HydrophobicContact CZ-CB 3.44Å; F872-A1048 VanDerWaalsContact CZ-CB 3.44Å; F872-A1048 WeakPolarHBondContact CZ-O 3.38Å; F921-A1048 HydrophobicContact CE2-CB 4.04Å; F921-A1048 HydrophobicContact CZ-CB 4.42Å; C1044-A1048 PolarHBondContact O-N 2.95Å; A1045-A1048 PolarHBondContact O-N 3.23Å; I1046-A1048 VanDerWaalsContact C-N 3.34Å; A1048-F1050 VanDerWaalsContact C-N 3.3Å; A1048-F1050 PolarHBondContact O-N 2.79Å; A1048-S1051 PolarHBondContact O-N 3.37Å; A1048-S1051 PolarHBondContact O-OG 3.31Å; A1048-T1052 PolarHBondContact O-N 2.9Å; A1048-T1052 VanDerWaalsContact O-N 3.14Å; A1048-T1052 PolarHBondContact O-OG1 3.27Å; A1048-T1052 VanDerWaalsContact O-OG1 3.14Å
1049D96.6Very high95.7Very high0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-58.9-44.5174.4-170.951.2000110.6Y838 H839 N843 F870 W956 A1045 I1046 T1052 Y1053Y838-D1049 PolarHBondContact N-OD2 2.96Å; H839-D1049 VanDerWaalsContact CA-OD1 3.27Å; H839-D1049 WeakPolarHBondContact CA-OD1 3.46Å; H839-D1049 VanDerWaalsContact CB-OD1 3.27Å; H839-D1049 WeakPolarHBondContact CB-OD1 3.48Å; H839-D1049 PolarHBondContact N-OD1 3.34Å; H839-D1049 PolarHBondContact N-OD2 3.16Å; H839-D1049 IonicContact ND1-OD2 3.8Å; N843-D1049 PolarHBondContact ND2-OD1 3.39Å; N843-D1049 PolarHBondContact OD1-OD1 2.96Å; F870-D1049 HydrophobicContact CD1-CB 4.33Å; W956-D1049 WeakPolarHBondContact CZ2-OD2 3.37Å; A1045-D1049 PolarHBondContact O-N 3.4Å; I1046-D1049 WeakPolarHBondContact O-CB 3.36Å; I1046-D1049 PolarHBondContact O-N 3.43Å; D1049-T1052 PolarHBondContact O-N 2.87Å; D1049-Y1053 PolarHBondContact O-N 3.06Å; D1049-Y1053 VanDerWaalsContact O-N 3.11Å
1050F97.3Very high95.6Very high0 Ų027.7 Ų27.70%015%0.145CC..Hα-helixtrans-64.2-42.5176.8-164.4177.7000112.3L952 W955 W956 I1046 F1047 A1048 T1052 Y1053 L1054 F1061 Q1064L952-F1050 HydrophobicContact CB-CE1 4.02Å; L952-F1050 HydrophobicContact CD2-CE1 4.05Å; L952-F1050 HydrophobicContact CD2-CZ 4.2Å; W955-F1050 HydrophobicContact CE3-CE1 4.4Å; W955-F1050 HydrophobicContact CE3-CE2 4.23Å; W955-F1050 AromaticContact CE3-CZ 3.62Å; W955-F1050 HydrophobicContact CE3-CZ 3.62Å; W955-F1050 AromaticContact CZ3-CE2 3.7Å; W955-F1050 HydrophobicContact CZ3-CE2 3.7Å; W955-F1050 AromaticContact CZ3-CZ 3.58Å; W955-F1050 HydrophobicContact CZ3-CZ 3.58Å; W956-F1050 HydrophobicContact CB-CD1 3.88Å; W956-F1050 HydrophobicContact CB-CE1 3.76Å; W956-F1050 HydrophobicContact CB-CZ 4.3Å; W956-F1050 HydrophobicContact CD2-CB 3.94Å; W956-F1050 AromaticContact CD2-CD1 3.89Å; W956-F1050 HydrophobicContact CD2-CD1 3.89Å; W956-F1050 AromaticContact CD2-CD2 3.78Å; W956-F1050 HydrophobicContact CD2-CD2 3.78Å; W956-F1050 HydrophobicContact CD2-CE1 4.3Å; W956-F1050 HydrophobicContact CD2-CE2 4.22Å; W956-F1050 AromaticContact CD2-CG 3.62Å; W956-F1050 HydrophobicContact CD2-CG 3.62Å; W956-F1050 HydrophobicContact CD2-CZ 4.45Å; W956-F1050 HydrophobicContact CE3-CB 4.22Å; W956-F1050 HydrophobicContact CE3-CD1 4.03Å; W956-F1050 AromaticContact CE3-CD2 3.19Å; W956-F1050 HydrophobicContact CE3-CD2 3.19Å; W956-F1050 HydrophobicContact CE3-CE1 4.15Å; W956-F1050 AromaticContact CE3-CE2 3.38Å; W956-F1050 HydrophobicContact CE3-CE2 3.38Å; W956-F1050 AromaticContact CE3-CG 3.57Å; W956-F1050 HydrophobicContact CE3-CG 3.57Å; W956-F1050 AromaticContact CE3-CZ 3.85Å; W956-F1050 HydrophobicContact CE3-CZ 3.85Å; W956-F1050 HydrophobicContact CG-CB 4.44Å; W956-F1050 AromaticContact CG-CD1 3.86Å; W956-F1050 HydrophobicContact CG-CD1 3.86Å; W956-F1050 HydrophobicContact CG-CE1 4.19Å; W956-F1050 HydrophobicContact CG-CG 4.08Å; W956-F1050 HydrophobicContact CH2-CB 4.33Å; W956-F1050 AromaticContact CH2-CD2 3.96Å; W956-F1050 HydrophobicContact CH2-CD2 3.96Å; W956-F1050 HydrophobicContact CH2-CG 4.38Å; W956-F1050 HydrophobicContact CZ2-CB 4.08Å; W956-F1050 HydrophobicContact CZ2-CD2 4.47Å; W956-F1050 HydrophobicContact CZ2-CG 4.45Å; W956-F1050 HydrophobicContact CZ3-CB 4.42Å; W956-F1050 AromaticContact CZ3-CD2 3.31Å; W956-F1050 HydrophobicContact CZ3-CD2 3.31Å; W956-F1050 AromaticContact CZ3-CE2 3.7Å; W956-F1050 HydrophobicContact CZ3-CE2 3.7Å; W956-F1050 AromaticContact CZ3-CG 3.99Å; W956-F1050 HydrophobicContact CZ3-CG 3.99Å; I1046-F1050 WeakPolarHBondContact O-CB 3.44Å; I1046-F1050 PolarHBondContact O-N 2.8Å; F1047-F1050 HydrophobicContact CD1-CD1 4.44Å; F1047-F1050 HydrophobicContact CE1-CD1 4.34Å; A1048-F1050 VanDerWaalsContact C-N 3.3Å; A1048-F1050 PolarHBondContact O-N 2.79Å; F1050-T1052 VanDerWaalsContact C-N 3.26Å; F1050-T1052 PolarHBondContact O-N 2.66Å; F1050-Y1053 HydrophobicContact CD2-CD1 4.11Å; F1050-Y1053 HydrophobicContact CE2-CD1 4.15Å; F1050-Y1053 PolarHBondContact O-N 3.34Å; F1050-L1054 HydrophobicContact CD2-CD1 3.95Å; F1050-L1054 HydrophobicContact CD2-CD2 4.31Å; F1050-L1054 HydrophobicContact CD2-CG 3.77Å; F1050-L1054 HydrophobicContact CE2-CD1 3.85Å; F1050-L1054 HydrophobicContact CE2-CD2 3.78Å; F1050-L1054 HydrophobicContact CE2-CG 3.71Å; F1050-L1054 HydrophobicContact CZ-CD1 4.47Å; F1050-L1054 WeakPolarHBondContact O-CG 3.48Å; F1050-L1054 PolarHBondContact O-N 2.86Å; F1050-F1061 HydrophobicContact CB-CE1 4.1Å; F1050-F1061 HydrophobicContact CB-CZ 4.35Å; F1050-F1061 HydrophobicContact CD1-CD1 4.41Å; F1050-F1061 AromaticContact CD1-CE1 3.69Å; F1050-F1061 HydrophobicContact CD1-CE1 3.69Å; F1050-F1061 HydrophobicContact CD2-CE1 4.35Å; F1050-F1061 HydrophobicContact CE1-CE1 4.21Å; F1050-F1061 AromaticContact CG-CE1 3.77Å; F1050-F1061 HydrophobicContact CG-CE1 3.77Å; F1050-F1061 HydrophobicContact CG-CZ 4.47Å; F1050-Q1064 HydrophobicContact CE2-CG 4.01Å; F1050-Q1064 HydrophobicContact CZ-CG 3.65Å
1051S96.1Very high95.6Very high13 Ų1327.8 Ų27.89%0.09115%0.145CC..Hα-helixtrans-62.7-36.9178.872.80000111.8F1047 A1048 L1054 Y1055F1047-S1051 WeakPolarHBondContact O-CB 3.39Å; F1047-S1051 PolarHBondContact O-N 2.8Å; A1048-S1051 PolarHBondContact O-N 3.37Å; A1048-S1051 PolarHBondContact O-OG 3.31Å; S1051-L1054 PolarHBondContact O-N 3.36Å; S1051-Y1055 WeakPolarHBondContact O-CB 3.39Å; S1051-Y1055 PolarHBondContact O-N 2.93Å
1052T94.6Very high95.4Very high5 Ų528.7 Ų28.73%0.03115%0.151CC..Hα-helixtrans-67.1-43.4177-58.10000111.3A842 N843 S846 F872 A1048 D1049 F1050 L1054 Y1055 T1056A842-T1052 VanDerWaalsContact C-CG2 3.46Å; A842-T1052 HydrophobicContact CB-CG2 3.61Å; A842-T1052 WeakPolarHBondContact O-CG2 3.02Å; N843-T1052 WeakPolarHBondContact OD1-CB 3.47Å; N843-T1052 PolarHBondContact OD1-OG1 2.82Å; S846-T1052 PolarHBondContact OG-OG1 3.38Å; F872-T1052 WeakPolarHBondContact CE1-OG1 3.49Å; A1048-T1052 PolarHBondContact O-N 2.9Å; A1048-T1052 VanDerWaalsContact O-N 3.14Å; A1048-T1052 PolarHBondContact O-OG1 3.27Å; A1048-T1052 VanDerWaalsContact O-OG1 3.14Å; D1049-T1052 PolarHBondContact O-N 2.87Å; F1050-T1052 VanDerWaalsContact C-N 3.26Å; F1050-T1052 PolarHBondContact O-N 2.66Å; T1052-L1054 PolarHBondContact O-N 3.41Å; T1052-Y1055 WeakPolarHBondContact O-CB 3.25Å; T1052-Y1055 PolarHBondContact O-N 2.87Å; T1052-T1056 WeakPolarHBondContact O-CG2 3.35Å; T1052-T1056 PolarHBondContact O-N 3.26Å; T1052-T1056 VanDerWaalsContact O-N 3.1Å
1053Y93.9Very high95.2Very high57 Ų5732 Ų3222%0.22417%0.169CC..Hα-helixtrans-57.2-48.3171.4165.9-94.7000112H839 W955 W956 D1049 F1050 Y1055 T1056 Q1057H839-Y1053 AromaticContact CD2-CD2 3.88Å; H839-Y1053 AromaticContact CE1-CD2 3.92Å; H839-Y1053 AromaticContact NE2-CD2 3.35Å; H839-Y1053 VanDerWaalsContact NE2-CD2 3.35Å; H839-Y1053 WeakPolarHBondContact NE2-CD2 3.44Å; W955-Y1053 HydrophobicContact CH2-CE1 4.37Å; W956-Y1053 VanDerWaalsContact CH2-CB 3.46Å; W956-Y1053 AromaticContact CH2-CD1 4Å; W956-Y1053 HydrophobicContact CH2-CD1 4Å; W956-Y1053 HydrophobicContact CH2-CD2 4.35Å; W956-Y1053 AromaticContact CH2-CG 3.68Å; W956-Y1053 HydrophobicContact CH2-CG 3.68Å; W956-Y1053 AromaticContact CZ3-CD1 3.47Å; W956-Y1053 HydrophobicContact CZ3-CD1 3.47Å; W956-Y1053 VanDerWaalsContact CZ3-CD1 3.47Å; W956-Y1053 HydrophobicContact CZ3-CD2 4.36Å; W956-Y1053 HydrophobicContact CZ3-CE1 4.06Å; W956-Y1053 AromaticContact CZ3-CG 3.63Å; W956-Y1053 HydrophobicContact CZ3-CG 3.63Å; D1049-Y1053 PolarHBondContact O-N 3.06Å; D1049-Y1053 VanDerWaalsContact O-N 3.11Å; F1050-Y1053 HydrophobicContact CD2-CD1 4.11Å; F1050-Y1053 HydrophobicContact CE2-CD1 4.15Å; F1050-Y1053 PolarHBondContact O-N 3.34Å; Y1053-Y1055 VanDerWaalsContact C-N 3.29Å; Y1053-Y1055 PolarHBondContact O-N 3.29Å; Y1053-T1056 WeakPolarHBondContact O-CB 3.44Å; Y1053-T1056 PolarHBondContact O-N 3.43Å; Y1053-T1056 PolarHBondContact O-OG1 3.39Å; Y1053-Q1057 HydrophobicContact CE1-CG 4.17Å; Y1053-Q1057 HydrophobicContact CE2-CG 4.2Å; Y1053-Q1057 PolarHBondContact O-N 3.19Å
1054L94.7Very high95.1Very high3 Ų332.2 Ų32.22%0.01617%0.17CC..Hα-helixtrans-62.1-38179.6-69.2178.1000112.2F1050 S1051 T1052 T1056 Q1057 S1058 M1059 F1061 Q1064F1050-L1054 HydrophobicContact CD2-CD1 3.95Å; F1050-L1054 HydrophobicContact CD2-CD2 4.31Å; F1050-L1054 HydrophobicContact CD2-CG 3.77Å; F1050-L1054 HydrophobicContact CE2-CD1 3.85Å; F1050-L1054 HydrophobicContact CE2-CD2 3.78Å; F1050-L1054 HydrophobicContact CE2-CG 3.71Å; F1050-L1054 HydrophobicContact CZ-CD1 4.47Å; F1050-L1054 WeakPolarHBondContact O-CG 3.48Å; F1050-L1054 PolarHBondContact O-N 2.86Å; S1051-L1054 PolarHBondContact O-N 3.36Å; T1052-L1054 PolarHBondContact O-N 3.41Å; L1054-T1056 VanDerWaalsContact C-N 3.33Å; L1054-T1056 PolarHBondContact O-N 3.17Å; L1054-Q1057 CarbonylContact O-C 3.57Å; L1054-Q1057 WeakPolarHBondContact O-CA 3.5Å; L1054-Q1057 PolarHBondContact O-N 2.91Å; L1054-S1058 PolarHBondContact O-N 3.35Å; L1054-M1059 CarbonylContact C-O 3.52Å; L1054-M1059 HydrophobicContact CB-CB 4.43Å; L1054-M1059 WeakPolarHBondContact CB-O 3.37Å; L1054-M1059 HydrophobicContact CD2-CB 4.08Å; L1054-M1059 HydrophobicContact CD2-CE 4.3Å; L1054-M1059 PolarHBondContact O-N 2.99Å; L1054-F1061 HydrophobicContact CD1-CB 4.41Å; L1054-F1061 HydrophobicContact CD1-CD1 3.48Å; L1054-F1061 VanDerWaalsContact CD1-CD1 3.48Å; L1054-F1061 HydrophobicContact CD1-CD2 4.27Å; L1054-F1061 HydrophobicContact CD1-CE1 3.7Å; L1054-F1061 HydrophobicContact CD1-CE2 4.45Å; L1054-F1061 HydrophobicContact CD1-CG 3.8Å; L1054-F1061 HydrophobicContact CD1-CZ 4.19Å; L1054-Q1064 HydrophobicContact CD1-CB 4.18Å; L1054-Q1064 HydrophobicContact CD2-CB 3.75Å; L1054-Q1064 HydrophobicContact CD2-CG 3.91Å
1055Y91Very high94.9Very high152 Ų15232.6 Ų32.660%0.59617%0.172SC*.Hα-helixtrans-58.4-43.2172.5-176.3-94.1000111.8S1051 T1052 Y1053 Q1057 S1058S1051-Y1055 WeakPolarHBondContact O-CB 3.39Å; S1051-Y1055 PolarHBondContact O-N 2.93Å; T1052-Y1055 WeakPolarHBondContact O-CB 3.25Å; T1052-Y1055 PolarHBondContact O-N 2.87Å; Y1053-Y1055 VanDerWaalsContact C-N 3.29Å; Y1053-Y1055 PolarHBondContact O-N 3.29Å; Y1055-Q1057 PolarHBondContact O-N 3.46Å; Y1055-S1058 PolarHBondContact O-N 3Å
1056T91Very high94.7Very high78 Ų7837.7 Ų37.748%0.47920%0.196SC..Hα-helixtrans-62.2-25.3175740000113.4T1052 Y1053 L1054T1052-T1056 WeakPolarHBondContact O-CG2 3.35Å; T1052-T1056 PolarHBondContact O-N 3.26Å; T1052-T1056 VanDerWaalsContact O-N 3.1Å; Y1053-T1056 WeakPolarHBondContact O-CB 3.44Å; Y1053-T1056 PolarHBondContact O-N 3.43Å; Y1053-T1056 PolarHBondContact O-OG1 3.39Å; L1054-T1056 VanDerWaalsContact C-N 3.33Å; L1054-T1056 PolarHBondContact O-N 3.17Å
1057Q92.3Very high94.5Very high99 Ų9942.3 Ų42.346%0.46322%0.217SC..THydrogen-bonded Turntrans-92.60.9176.5-56.2-54.4-62.200113Y1053 L1054 Y1055 M1059Y1053-Q1057 HydrophobicContact CE1-CG 4.17Å; Y1053-Q1057 HydrophobicContact CE2-CG 4.2Å; Y1053-Q1057 PolarHBondContact O-N 3.19Å; L1054-Q1057 CarbonylContact O-C 3.57Å; L1054-Q1057 WeakPolarHBondContact O-CA 3.5Å; L1054-Q1057 PolarHBondContact O-N 2.91Å; Y1055-Q1057 PolarHBondContact O-N 3.46Å; Q1057-M1059 HydrophobicContact CB-CB 4.35Å; Q1057-M1059 HydrophobicContact CB-CG 4.07Å; Q1057-M1059 HydrophobicContact CB-SD 3.99Å; Q1057-M1059 PolarHBondContact O-N 3.26Å
1058S93.1Very high94.3Very high114 Ų11442.3 Ų42.380%0.79722%0.217SC*.THydrogen-bonded Turntrans55.236.8-172.3-54.30000112.9L1054 Y1055L1054-S1058 PolarHBondContact O-N 3.35Å; Y1055-S1058 PolarHBondContact O-N 3Å
1059M94.3Very high94.1Very high38 Ų3842.6 Ų42.619%0.18722%0.219CC..  trans-116151.7-178.5-72.7177.45600111.3L1054 Q1057 D1063 Q1064 Q1067L1054-M1059 CarbonylContact C-O 3.52Å; L1054-M1059 HydrophobicContact CB-CB 4.43Å; L1054-M1059 WeakPolarHBondContact CB-O 3.37Å; L1054-M1059 HydrophobicContact CD2-CB 4.08Å; L1054-M1059 HydrophobicContact CD2-CE 4.3Å; L1054-M1059 PolarHBondContact O-N 2.99Å; Q1057-M1059 HydrophobicContact CB-CB 4.35Å; Q1057-M1059 HydrophobicContact CB-CG 4.07Å; Q1057-M1059 HydrophobicContact CB-SD 3.99Å; Q1057-M1059 PolarHBondContact O-N 3.26Å; M1059-D1063 HydrophobicContact CB-CB 4.25Å; M1059-D1063 HydrophobicContact CE-CB 4.13Å; M1059-D1063 HydrophobicContact CG-CB 4.41Å; M1059-Q1064 HydrophobicContact CE-CB 3.94Å; M1059-Q1067 HydrophobicContact CE-CG 4.22Å; M1059-Q1067 PolarHBondContact SD-NE2 3Å; M1059-Q1067 VanDerWaalsContact SD-NE2 3.38Å
1060S94.7Very high93.9Very high22 Ų2245.2 Ų45.215%0.15424%0.24CC..  trans-94.4168.2165.966.70000111.6E934 C1062 D1063 Q1064E934-S1060 WeakPolarHBondContact OE1-CA 3.38Å; E934-S1060 WeakPolarHBondContact OE1-CB 3.48Å; S1060-C1062 PolarHBondContact O-N 3.47Å; S1060-C1062 PolarHBondContact OG-N 3.02Å; S1060-D1063 WeakPolarHBondContact CB-OD2 3.31Å; S1060-D1063 PolarHBondContact N-OD2 2.81Å; S1060-D1063 PolarHBondContact O-N 2.94Å; S1060-D1063 PolarHBondContact OG-N 2.84Å; S1060-D1063 PolarHBondContact OG-OD2 2.89Å; S1060-Q1064 PolarHBondContact O-N 3.44Å
1061F96.8Very high93.7Very high3 Ų348.1 Ų48.11%0.01326%0.258CS..Hα-helixtrans-62.2-34.4170.7-76.7-76.2000111.8L919 F932 E934 F944 L952 F1047 F1050 L1054 Q1064 L1065L919-F1061 HydrophobicContact CD1-CD2 4.16Å; L919-F1061 HydrophobicContact CD1-CE2 3.83Å; L919-F1061 HydrophobicContact CD2-CE2 4.26Å; F932-F1061 HydrophobicContact CE2-CB 4.19Å; F932-F1061 HydrophobicContact CE2-CD1 4.29Å; F932-F1061 AromaticContact CE2-CD2 3.65Å; F932-F1061 HydrophobicContact CE2-CD2 3.65Å; F932-F1061 HydrophobicContact CE2-CE2 4.02Å; F932-F1061 AromaticContact CE2-CG 3.79Å; F932-F1061 HydrophobicContact CE2-CG 3.79Å; F932-F1061 HydrophobicContact CE2-CZ 4.49Å; F932-F1061 HydrophobicContact CZ-CB 4.24Å; F932-F1061 AromaticContact CZ-CD1 3.98Å; F932-F1061 HydrophobicContact CZ-CD1 3.98Å; F932-F1061 HydrophobicContact CZ-CD2 4.18Å; F932-F1061 HydrophobicContact CZ-CE1 4.35Å; F932-F1061 AromaticContact CZ-CG 3.88Å; F932-F1061 HydrophobicContact CZ-CG 3.88Å; E934-F1061 WeakPolarHBondContact OE1-CD2 3.43Å; E934-F1061 PolarHBondContact OE1-N 3.28Å; E934-F1061 PolarHBondContact OE2-N 3.41Å; F944-F1061 HydrophobicContact CE1-CB 3.89Å; F944-F1061 HydrophobicContact CE2-CB 4.17Å; F944-F1061 HydrophobicContact CZ-CB 3.39Å; F944-F1061 HydrophobicContact CZ-CG 4.44Å; L952-F1061 HydrophobicContact CD1-CB 4.42Å; L952-F1061 HydrophobicContact CD1-CD1 4.05Å; L952-F1061 HydrophobicContact CD2-CD1 4.49Å; F1047-F1061 HydrophobicContact CD1-CD1 4.38Å; F1047-F1061 AromaticContact CD1-CE1 3.61Å; F1047-F1061 HydrophobicContact CD1-CE1 3.61Å; F1047-F1061 AromaticContact CD1-CZ 3.89Å; F1047-F1061 HydrophobicContact CD1-CZ 3.89Å; F1047-F1061 HydrophobicContact CE1-CD1 4.4Å; F1047-F1061 AromaticContact CE1-CE1 3.98Å; F1047-F1061 HydrophobicContact CE1-CE1 3.98Å; F1050-F1061 HydrophobicContact CB-CE1 4.1Å; F1050-F1061 HydrophobicContact CB-CZ 4.35Å; F1050-F1061 HydrophobicContact CD1-CD1 4.41Å; F1050-F1061 AromaticContact CD1-CE1 3.69Å; F1050-F1061 HydrophobicContact CD1-CE1 3.69Å; F1050-F1061 HydrophobicContact CD2-CE1 4.35Å; F1050-F1061 HydrophobicContact CE1-CE1 4.21Å; F1050-F1061 AromaticContact CG-CE1 3.77Å; F1050-F1061 HydrophobicContact CG-CE1 3.77Å; F1050-F1061 HydrophobicContact CG-CZ 4.47Å; L1054-F1061 HydrophobicContact CD1-CB 4.41Å; L1054-F1061 HydrophobicContact CD1-CD1 3.48Å; L1054-F1061 VanDerWaalsContact CD1-CD1 3.48Å; L1054-F1061 HydrophobicContact CD1-CD2 4.27Å; L1054-F1061 HydrophobicContact CD1-CE1 3.7Å; L1054-F1061 HydrophobicContact CD1-CE2 4.45Å; L1054-F1061 HydrophobicContact CD1-CG 3.8Å; L1054-F1061 HydrophobicContact CD1-CZ 4.19Å; F1061-Q1064 PolarHBondContact O-N 3.27Å; F1061-L1065 WeakPolarHBondContact O-CB 3.36Å; F1061-L1065 PolarHBondContact O-N 3.24Å
1062C93.6Very high93.6Very high19 Ų1948.4 Ų48.413%0.12826%0.257CS..Hα-helixtrans-63.3-44.5173-74.30000112E934 Q936 S1060 Q1064 L1065 E1066E934-C1062 PolarHBondContact OE2-N 2.93Å; Q936-C1062 PolarHBondContact NE2-SG 3.48Å; Q936-C1062 VanDerWaalsContact NE2-SG 3.36Å; S1060-C1062 PolarHBondContact O-N 3.47Å; S1060-C1062 PolarHBondContact OG-N 3.02Å; C1062-Q1064 VanDerWaalsContact C-N 3.3Å; C1062-Q1064 PolarHBondContact O-N 3.38Å; C1062-L1065 PolarHBondContact O-N 2.73Å; C1062-E1066 WeakPolarHBondContact O-CG 3.4Å; C1062-E1066 PolarHBondContact O-N 3.38Å
1063D94.3Very high93.4Very high69 Ų6948.2 Ų48.237%0.36926%0.256SS..Hα-helixtrans-61.1-42.3176.6-60.7-47000111.1M1059 S1060 E1066 Q1067M1059-D1063 HydrophobicContact CB-CB 4.25Å; M1059-D1063 HydrophobicContact CE-CB 4.13Å; M1059-D1063 HydrophobicContact CG-CB 4.41Å; S1060-D1063 WeakPolarHBondContact CB-OD2 3.31Å; S1060-D1063 PolarHBondContact N-OD2 2.81Å; S1060-D1063 PolarHBondContact O-N 2.94Å; S1060-D1063 PolarHBondContact OG-N 2.84Å; S1060-D1063 PolarHBondContact OG-OD2 2.89Å; D1063-E1066 PolarHBondContact O-N 2.94Å; D1063-Q1067 WeakPolarHBondContact O-CG 3.14Å; D1063-Q1067 PolarHBondContact O-N 2.96Å
1064Q96.3Very high93.2Very high4 Ų445.6 Ų45.62%0.01925%0.246CC..Hα-helixtrans-64.6-40.7177.6-175.756.973.500112.2L952 W955 F1050 L1054 M1059 S1060 F1061 C1062 Q1067 I1068L952-Q1064 HydrophobicContact CD2-CB 4.34Å; L952-Q1064 HydrophobicContact CD2-CG 4.05Å; W955-Q1064 HydrophobicContact CZ3-CG 4.31Å; F1050-Q1064 HydrophobicContact CE2-CG 4.01Å; F1050-Q1064 HydrophobicContact CZ-CG 3.65Å; L1054-Q1064 HydrophobicContact CD1-CB 4.18Å; L1054-Q1064 HydrophobicContact CD2-CB 3.75Å; L1054-Q1064 HydrophobicContact CD2-CG 3.91Å; M1059-Q1064 HydrophobicContact CE-CB 3.94Å; S1060-Q1064 PolarHBondContact O-N 3.44Å; F1061-Q1064 PolarHBondContact O-N 3.27Å; C1062-Q1064 VanDerWaalsContact C-N 3.3Å; C1062-Q1064 PolarHBondContact O-N 3.38Å; Q1064-Q1067 PolarHBondContact O-N 3.13Å; Q1064-I1068 HydrophobicContact CG-CD1 4.23Å; Q1064-I1068 VanDerWaalsContact O-CG1 3.26Å; Q1064-I1068 WeakPolarHBondContact O-CG1 3.25Å; Q1064-I1068 PolarHBondContact O-N 3.47Å
1065L94.1Very high93Very high8 Ų845.6 Ų45.64%0.04225%0.246CC..Hα-helixtrans-64.6-41.1176.1-17266.8000111.2E948 T951 L952 F1061 C1062 I1068 Y1069E948-L1065 HydrophobicContact CB-CD2 4.08Å; E948-L1065 HydrophobicContact CG-CD2 3.77Å; T951-L1065 HydrophobicContact CG2-CD1 3.7Å; L952-L1065 HydrophobicContact CD2-CB 4.34Å; L952-L1065 HydrophobicContact CD2-CD1 4.42Å; L952-L1065 HydrophobicContact CG-CD1 4.23Å; F1061-L1065 WeakPolarHBondContact O-CB 3.36Å; F1061-L1065 PolarHBondContact O-N 3.24Å; C1062-L1065 PolarHBondContact O-N 2.73Å; L1065-I1068 WeakPolarHBondContact O-CB 3.37Å; L1065-I1068 PolarHBondContact O-N 3.49Å; L1065-Y1069 HydrophobicContact CD1-CE1 3.96Å; L1065-Y1069 HydrophobicContact CD1-CE2 4.04Å; L1065-Y1069 HydrophobicContact CD2-CE2 3.88Å; L1065-Y1069 HydrophobicContact CG-CD2 4.17Å; L1065-Y1069 HydrophobicContact CG-CE1 4.37Å; L1065-Y1069 HydrophobicContact CG-CE2 3.56Å; L1065-Y1069 WeakPolarHBondContact O-CD2 3.38Å; L1065-Y1069 VanDerWaalsContact O-CG 3.3Å; L1065-Y1069 PolarHBondContact O-N 3.46Å
1066E91.4Very high92.9Very high107 Ų10738.9 Ų38.950%0.522%0.22SC..Hα-helixtrans-63.1-41174.1-73-175.4-179.300112.1C1062 D1063 Y1069 A1070 V1182C1062-E1066 WeakPolarHBondContact O-CG 3.4Å; C1062-E1066 PolarHBondContact O-N 3.38Å; D1063-E1066 PolarHBondContact O-N 2.94Å; E1066-Y1069 PolarHBondContact O-N 3.06Å; E1066-A1070 WeakPolarHBondContact O-CB 3.2Å; E1066-A1070 PolarHBondContact O-N 2.84Å; E1066-V1182 HydrophobicContact CG-CG2 4.45Å
1067Q93.3Very high92.8Very high97 Ų9736 Ų3645%0.45321%0.206SC..Hα-helixtrans-63.7-40.2173.9-74.8-173.410.400112.6M1059 D1063 Q1064 A1070 T1071M1059-Q1067 HydrophobicContact CE-CG 4.22Å; M1059-Q1067 PolarHBondContact SD-NE2 3Å; M1059-Q1067 VanDerWaalsContact SD-NE2 3.38Å; D1063-Q1067 WeakPolarHBondContact O-CG 3.14Å; D1063-Q1067 PolarHBondContact O-N 2.96Å; Q1064-Q1067 PolarHBondContact O-N 3.13Å; Q1067-A1070 PolarHBondContact O-N 3.31Å; Q1067-T1071 WeakPolarHBondContact O-CB 3.5Å; Q1067-T1071 PolarHBondContact O-N 3.34Å; Q1067-T1071 PolarHBondContact O-OG1 3.22Å
1068I94.7Very high92.5Very high1 Ų132.3 Ų32.31%0.00519%0.191CC..Hα-helixtrans-60.3-48.5174.1-72.7165.4000109.6T951 L952 W955 F984 Q1064 L1065 A1070 T1071 Y1072T951-I1068 HydrophobicContact CG2-CG2 3.85Å; L952-I1068 HydrophobicContact CD2-CD1 4.02Å; W955-I1068 HydrophobicContact CB-CD1 3.6Å; W955-I1068 HydrophobicContact CB-CG1 4.21Å; W955-I1068 HydrophobicContact CD2-CD1 3.94Å; W955-I1068 HydrophobicContact CD2-CG1 4.17Å; W955-I1068 HydrophobicContact CE3-CD1 4.39Å; W955-I1068 HydrophobicContact CG-CD1 3.57Å; W955-I1068 HydrophobicContact CG-CG1 3.77Å; F984-I1068 HydrophobicContact CD2-CG2 4.4Å; F984-I1068 HydrophobicContact CE1-CG2 4.36Å; F984-I1068 HydrophobicContact CE2-CG2 3.32Å; F984-I1068 HydrophobicContact CZ-CG2 3.3Å; Q1064-I1068 HydrophobicContact CG-CD1 4.23Å; Q1064-I1068 VanDerWaalsContact O-CG1 3.26Å; Q1064-I1068 WeakPolarHBondContact O-CG1 3.25Å; Q1064-I1068 PolarHBondContact O-N 3.47Å; L1065-I1068 WeakPolarHBondContact O-CB 3.37Å; L1065-I1068 PolarHBondContact O-N 3.49Å; I1068-A1070 PolarHBondContact O-N 2.68Å; I1068-T1071 PolarHBondContact O-N 2.84Å; I1068-T1071 VanDerWaalsContact O-N 3.09Å; I1068-Y1072 HydrophobicContact CG2-CD2 4.04Å; I1068-Y1072 WeakPolarHBondContact O-CD2 3.42Å; I1068-Y1072 PolarHBondContact O-N 3.06Å
1069Y92.7Very high92.2Very high6 Ų628.5 Ų28.52%0.02416%0.163CC..Hα-helixtrans-65.3-37.2178.2-66.1-22.7000113.2T951 L1065 E1066 T1071 G1073 A1074 H1075 L1076 S1179T951-Y1069 HydrophobicContact CG2-CE1 4.16Å; L1065-Y1069 HydrophobicContact CD1-CE1 3.96Å; L1065-Y1069 HydrophobicContact CD1-CE2 4.04Å; L1065-Y1069 HydrophobicContact CD2-CE2 3.88Å; L1065-Y1069 HydrophobicContact CG-CD2 4.17Å; L1065-Y1069 HydrophobicContact CG-CE1 4.37Å; L1065-Y1069 HydrophobicContact CG-CE2 3.56Å; L1065-Y1069 WeakPolarHBondContact O-CD2 3.38Å; L1065-Y1069 VanDerWaalsContact O-CG 3.3Å; L1065-Y1069 PolarHBondContact O-N 3.46Å; E1066-Y1069 PolarHBondContact O-N 3.06Å; Y1069-T1071 PolarHBondContact O-N 2.9Å; Y1069-G1073 WeakPolarHBondContact CD1-O 3.29Å; Y1069-G1073 CarbonylContact O-C 3.58Å; Y1069-G1073 WeakPolarHBondContact O-CA 3.39Å; Y1069-G1073 PolarHBondContact O-N 2.95Å; Y1069-A1074 HydrophobicContact CD1-CB 4.3Å; Y1069-A1074 HydrophobicContact CD2-CB 4.17Å; Y1069-A1074 HydrophobicContact CG-CB 3.92Å; Y1069-H1075 PolarHBondContact OH-O 2.97Å; Y1069-L1076 HydrophobicContact CE2-CD2 3.64Å; Y1069-S1179 WeakPolarHBondContact O-CB 3.39Å
1070A90.9Very high91.8Very high54 Ų5427.1 Ų27.145%0.44616%0.157SC..Hα-helixtrans-65.9-26.2173.300000112.6E1066 Q1067 I1068E1066-A1070 WeakPolarHBondContact O-CB 3.2Å; E1066-A1070 PolarHBondContact O-N 2.84Å; Q1067-A1070 PolarHBondContact O-N 3.31Å; I1068-A1070 PolarHBondContact O-N 2.68Å
1071T93.3Very high91.3Very high62 Ų6226.5 Ų26.538%0.3815%0.151SC..Hα-helixtrans-91.6-39.6-177.1-59.20000113.2K991 Q1067 I1068 Y1069K991-T1071 PolarHBondContact NZ-O 3.19Å; Q1067-T1071 WeakPolarHBondContact O-CB 3.5Å; Q1067-T1071 PolarHBondContact O-N 3.34Å; Q1067-T1071 PolarHBondContact O-OG1 3.22Å; I1068-T1071 PolarHBondContact O-N 2.84Å; I1068-T1071 VanDerWaalsContact O-N 3.09Å; Y1069-T1071 PolarHBondContact O-N 2.9Å
1072Y93.7Very high90.8Very high19 Ų1926.3 Ų26.38%0.07515%0.151CC..Hα-helixtrans-115.2-18.9-171.9-59.5-78.1000113.4W955 F984 T987 M988 K991 E992 I1068W955-Y1072 AromaticContact CD1-CE2 3.93Å; F984-Y1072 HydrophobicContact CE2-CD2 4.28Å; F984-Y1072 HydrophobicContact CE2-CG 4.32Å; F984-Y1072 HydrophobicContact CZ-CD2 4.32Å; T987-Y1072 VanDerWaalsContact CG2-O 3.27Å; T987-Y1072 WeakPolarHBondContact CG2-O 3.33Å; M988-Y1072 HydrophobicContact CB-CD1 4.39Å; M988-Y1072 HydrophobicContact CG-CD1 4.11Å; M988-Y1072 HydrophobicContact CG-CE1 3.88Å; K991-Y1072 HydrophobicContact CB-CD1 4.27Å; K991-Y1072 HydrophobicContact CB-CE1 4.25Å; K991-Y1072 HydrophobicContact CD-CD1 3.74Å; K991-Y1072 HydrophobicContact CD-CE1 3.76Å; K991-Y1072 HydrophobicContact CG-CD1 4.39Å; K991-Y1072 HydrophobicContact CG-CE1 4.12Å; E992-Y1072 VanDerWaalsContact CD-OH 3.32Å; E992-Y1072 HydrophobicContact CG-CE1 3.9Å; E992-Y1072 WeakPolarHBondContact OE1-CE1 3.14Å; E992-Y1072 PolarHBondContact OE1-OH 2.87Å; I1068-Y1072 HydrophobicContact CG2-CD2 4.04Å; I1068-Y1072 WeakPolarHBondContact O-CD2 3.42Å; I1068-Y1072 PolarHBondContact O-N 3.06Å
1073G91.1Very high90.2Very high1 Ų127.1 Ų27.11%0.0116%0.157CC..  trans108.1149-171.400000111.8Y1069 L1174Y1069-G1073 WeakPolarHBondContact CD1-O 3.29Å; Y1069-G1073 CarbonylContact O-C 3.58Å; Y1069-G1073 WeakPolarHBondContact O-CA 3.39Å; Y1069-G1073 PolarHBondContact O-N 2.95Å; G1073-L1174 CarbonylContact C-O 3.55Å; G1073-L1174 WeakPolarHBondContact CA-O 3.47Å
1074A89.6Confident89.5Confident1 Ų125.1 Ų25.11%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-80.7128.4179.200000111.5Y1069 L1076 V1173 L1174 S1179Y1069-A1074 HydrophobicContact CD1-CB 4.3Å; Y1069-A1074 HydrophobicContact CD2-CB 4.17Å; Y1069-A1074 HydrophobicContact CG-CB 3.92Å; A1074-L1076 HydrophobicContact CB-CG 4.45Å; A1074-V1173 WeakPolarHBondContact O-CA 3.5Å; A1074-L1174 HydrophobicContact CB-CB 4.28Å; A1074-L1174 PolarHBondContact N-O 3.41Å; A1074-L1174 PolarHBondContact O-N 3.5Å; A1074-S1179 WeakPolarHBondContact CB-OG 3.37Å; A1074-S1179 PolarHBondContact N-OG 3.31Å
1075H91.2Very high88.3Confident3 Ų328.1 Ų28.11%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-118.983.7174.8-80.5-98.4000108.4S982 F984 T987 Y1069 E1171S982-H1075 WeakPolarHBondContact OG-CB 3.48Å; F984-H1075 HydrophobicContact CB-CB 3.98Å; F984-H1075 AromaticContact CD2-CD2 3.99Å; F984-H1075 PolarHBondContact N-ND1 2.78Å; T987-H1075 WeakPolarHBondContact CB-NE2 3.46Å; T987-H1075 PolarHBondContact OG1-CE1 3Å; T987-H1075 PolarHBondContact OG1-NE2 3.4Å; Y1069-H1075 PolarHBondContact OH-O 2.97Å; H1075-E1171 WeakPolarHBondContact CB-OE1 3.09Å; H1075-E1171 IonicContact CG-OE1 3.56Å; H1075-E1171 IonicContact ND1-OE1 3.61Å; H1075-E1171 PolarHBondContact ND1-OE1 3.29Å
1076L88.7Confident87.1Confident11 Ų1130.4 Ų30.46%0.05818%0.178CC..EExtended strand (participates in β ladder)trans-97.4121.8-176.7-60.5176000109.5Y1069 A1074 E1171 I1172 V1182 A1185 R1186 L1189Y1069-L1076 HydrophobicContact CE2-CD2 3.64Å; A1074-L1076 HydrophobicContact CB-CG 4.45Å; L1076-E1171 CarbonylContact O-C 3.55Å; L1076-E1171 WeakPolarHBondContact O-CA 3.4Å; L1076-I1172 HydrophobicContact CB-CD1 4.17Å; L1076-I1172 HydrophobicContact CB-CG1 3.79Å; L1076-I1172 HydrophobicContact CD1-CD1 4.22Å; L1076-I1172 PolarHBondContact N-O 2.91Å; L1076-I1172 VanDerWaalsContact N-O 3.1Å; L1076-I1172 WeakPolarHBondContact O-CG1 3.48Å; L1076-I1172 PolarHBondContact O-N 3.09Å; L1076-V1182 HydrophobicContact CD1-CG1 4.37Å; L1076-A1185 HydrophobicContact CD1-CB 3.4Å; L1076-A1185 VanDerWaalsContact CD1-CB 3.4Å; L1076-R1186 HydrophobicContact CD1-CG 4.34Å; L1076-L1189 HydrophobicContact CB-CD2 4.29Å
1077G87.6Confident86.1Confident18 Ų1830.6 Ų30.619%0.18618%0.182CC..EExtended strand (participates in β ladder)trans-124154-178.900000114I1170G1077-I1170 CarbonylContact C-O 3.59Å; G1077-I1170 WeakPolarHBondContact CA-O 3.31Å
1078C87Confident85Confident22 Ų2229.7 Ų29.715%0.14919%0.191CC..EExtended strand (participates in β ladder)trans-135.8153.3168.666.20000110.4N1169 I1170 L1189C1078-N1169 CarbonylContact O-C 3.54Å; C1078-I1170 PolarHBondContact N-O 3.39Å; C1078-I1170 PolarHBondContact O-N 3.34Å; C1078-L1189 HydrophobicContact CB-CD2 4.01Å; C1078-L1189 HydrophobicContact CB-CG 4.4Å
1079T86Confident84.1Confident34 Ų3431.3 Ų31.321%0.20920%0.199CC..EExtended strand (participates in β ladder)trans-118.9136.3176.8-59.40000108.8F1081 C1168 N1169T1079-F1081 HydrophobicContact CG2-CD2 4.43Å; T1079-F1081 HydrophobicContact CG2-CE1 4.32Å; T1079-F1081 HydrophobicContact CG2-CE2 3.8Å; T1079-F1081 HydrophobicContact CG2-CZ 3.73Å; T1079-C1168 WeakPolarHBondContact CA-O 3.39Å; T1079-N1169 WeakPolarHBondContact CG2-OD1 3.09Å; T1079-N1169 PolarHBondContact OG1-OD1 3.38Å
1080T85.7Confident83.7Confident9 Ų931.7 Ų31.76%0.05520%0.201CC..EExtended strand (participates in β ladder)trans-128.4149.3174.5-176.70000110.8F1082 C1168 I1197T1080-F1082 HydrophobicContact CG2-CE2 3.61Å; T1080-F1082 HydrophobicContact CG2-CZ 4.35Å; T1080-C1168 HydrophobicContact CG2-CB 3.73Å; T1080-C1168 PolarHBondContact N-O 3.06Å; T1080-C1168 PolarHBondContact O-N 3.24Å; T1080-I1197 HydrophobicContact CG2-CD1 4.29Å; T1080-I1197 HydrophobicContact CG2-CG1 4.46Å
1081F85Confident83.2Confident8 Ų831.9 Ų31.94%0.03520%0.203CC..EExtended strand (participates in β ladder)trans-124138.5-169.1-56-103.9000110.6E899 T1079 I1166 K1167 T1211 V1213E899-F1081 WeakPolarHBondContact OE1-CZ 3.42Å; T1079-F1081 HydrophobicContact CG2-CD2 4.43Å; T1079-F1081 HydrophobicContact CG2-CE1 4.32Å; T1079-F1081 HydrophobicContact CG2-CE2 3.8Å; T1079-F1081 HydrophobicContact CG2-CZ 3.73Å; F1081-I1166 WeakPolarHBondContact CA-O 3.45Å; F1081-K1167 HydrophobicContact CD1-CD 3.82Å; F1081-K1167 HydrophobicContact CD1-CG 3.7Å; F1081-K1167 HydrophobicContact CE1-CD 3.39Å; F1081-K1167 VanDerWaalsContact CE1-CE 3.4Å; F1081-K1167 HydrophobicContact CE1-CG 3.84Å; F1081-K1167 HydrophobicContact CZ-CD 4.32Å; F1081-T1211 WeakPolarHBondContact CB-OG1 3.15Å; F1081-T1211 PolarHBondContact O-N 2.77Å; F1081-T1211 PolarHBondContact O-OG1 3.13Å; F1081-V1213 HydrophobicContact CD2-CB 4.06Å; F1081-V1213 HydrophobicContact CD2-CG2 3.66Å; F1081-V1213 HydrophobicContact CE2-CB 4.01Å; F1081-V1213 HydrophobicContact CE2-CG2 3.71Å; F1081-V1213 HydrophobicContact CG-CG2 4.5Å
1082F86Confident82.8Confident0 Ų034.1 Ų34.10%021%0.207CC..EExtended strand (participates in β ladder)trans-134.7125-179.7-66.7-90.7000110.8T1080 R1165 I1166 I1197 L1201 P1203 L1208 V1209 M1210T1080-F1082 HydrophobicContact CG2-CE2 3.61Å; T1080-F1082 HydrophobicContact CG2-CZ 4.35Å; F1082-R1165 CarbonylContact O-C 3.56Å; F1082-R1165 WeakPolarHBondContact O-CA 3.39Å; F1082-I1166 HydrophobicContact CB-CB 4.38Å; F1082-I1166 PolarHBondContact N-O 3.2Å; F1082-I1166 PolarHBondContact O-N 3.43Å; F1082-I1197 HydrophobicContact CE1-CG2 4.25Å; F1082-I1197 HydrophobicContact CE2-CG1 4.36Å; F1082-I1197 HydrophobicContact CZ-CB 4.45Å; F1082-I1197 HydrophobicContact CZ-CD1 3.99Å; F1082-I1197 HydrophobicContact CZ-CG1 3.82Å; F1082-I1197 HydrophobicContact CZ-CG2 3.89Å; F1082-L1201 HydrophobicContact CD2-CD1 3.66Å; F1082-L1201 HydrophobicContact CE2-CD1 3.19Å; F1082-L1201 HydrophobicContact CZ-CD1 3.73Å; F1082-P1203 HydrophobicContact CE1-CB 4.32Å; F1082-L1208 HydrophobicContact CB-CB 4.12Å; F1082-L1208 HydrophobicContact CB-CD1 4.36Å; F1082-L1208 HydrophobicContact CB-CD2 3.96Å; F1082-L1208 HydrophobicContact CB-CG 4.39Å; F1082-L1208 HydrophobicContact CD1-CB 3.92Å; F1082-L1208 HydrophobicContact CG-CB 4.39Å; F1082-L1208 HydrophobicContact CG-CD1 4.5Å; F1082-V1209 CarbonylContact C-O 3.6Å; F1082-V1209 WeakPolarHBondContact CA-O 3.4Å; F1082-M1210 HydrophobicContact CD1-CB 4.1Å; F1082-M1210 HydrophobicContact CD1-CG 4.34Å; F1082-M1210 HydrophobicContact CE1-CB 3.87Å; F1082-M1210 HydrophobicContact CE1-CE 3.75Å; F1082-M1210 HydrophobicContact CE1-CG 3.88Å; F1082-M1210 HydrophobicContact CZ-CE 3.87Å; F1082-M1210 HydrophobicContact CZ-CG 4.19Å
1083S82.5Confident82.4Confident36 Ų3633.3 Ų33.325%0.25220%0.204SC..EExtended strand (participates in β ladder)trans-87.4148.1173.558.10000112.5K1164 V1209S1083-K1164 VanDerWaalsContact CA-O 3.29Å; S1083-K1164 WeakPolarHBondContact CA-O 3.33Å; S1083-V1209 PolarHBondContact N-O 2.82Å; S1083-V1209 PolarHBondContact O-N 2.87Å; S1083-V1209 VanDerWaalsContact O-N 3.12Å; S1083-V1209 PolarHBondContact OG-O 3.36Å
1084Y79.6Confident82.3Confident26 Ų2633.2 Ų33.210%0.10220%0.203CC..  trans-129.1158.5175.860.9-93.6000112D1086 L1090 K1164 R1165 I1166Y1084-D1086 VanDerWaalsContact CD2-O 3.22Å; Y1084-D1086 WeakPolarHBondContact CD2-O 3.48Å; Y1084-L1090 HydrophobicContact CD1-CD1 4.12Å; Y1084-L1090 HydrophobicContact CD2-CB 4.24Å; Y1084-L1090 HydrophobicContact CE1-CD1 3.66Å; Y1084-L1090 HydrophobicContact CE1-CG 4.48Å; Y1084-L1090 HydrophobicContact CE2-CB 3.91Å; Y1084-L1090 HydrophobicContact CE2-CD1 4.47Å; Y1084-L1090 HydrophobicContact CE2-CD2 4.46Å; Y1084-K1164 HydrophobicContact CD1-CB 4.39Å; Y1084-K1164 VanDerWaalsContact CD1-O 3.29Å; Y1084-K1164 WeakPolarHBondContact CD1-O 3.43Å; Y1084-K1164 HydrophobicContact CD2-CB 4.06Å; Y1084-K1164 HydrophobicContact CD2-CG 4.46Å; Y1084-K1164 HydrophobicContact CE1-CB 4.05Å; Y1084-K1164 WeakPolarHBondContact CE1-O 3.44Å; Y1084-K1164 HydrophobicContact CE2-CB 3.68Å; Y1084-K1164 HydrophobicContact CE2-CD 4.24Å; Y1084-K1164 HydrophobicContact CE2-CG 3.82Å; Y1084-K1164 HydrophobicContact CG-CB 4.39Å; Y1084-K1164 VanDerWaalsContact CZ-CA 3.45Å; Y1084-K1164 PolarHBondContact N-O 2.99Å; Y1084-R1165 VanDerWaalsContact CE1-N 3.34Å; Y1084-I1166 HydrophobicContact CD1-CG1 4.24Å; Y1084-I1166 HydrophobicContact CE1-CG1 4.42Å
1085S70.5Confident82Confident67 Ų6735.5 Ų35.547%0.46922%0.219SC..SBendtrans-74.2-45.4-173.1560000114.2H1089 K1164S1085-H1089 PolarHBondContact OG-ND1 3.5Å; S1085-K1164 PolarHBondContact O-NZ 3.42Å
1086D69.2Low81.6Confident56 Ų5637.1 Ų37.130%0.29923%0.228SC..  trans-152.7163.3-169.661.970000112.8Y1084 A1088 H1089 L1090Y1084-D1086 VanDerWaalsContact CD2-O 3.22Å; Y1084-D1086 WeakPolarHBondContact CD2-O 3.48Å; D1086-A1088 VanDerWaalsContact C-N 3.25Å; D1086-A1088 PolarHBondContact O-N 3.27Å; D1086-A1088 WeakPolarHBondContact OD1-CA 3.27Å; D1086-A1088 WeakPolarHBondContact OD1-CB 3.49Å; D1086-A1088 PolarHBondContact OD1-N 3.1Å; D1086-H1089 WeakPolarHBondContact O-CB 3.4Å; D1086-H1089 PolarHBondContact O-N 2.95Å; D1086-H1089 IonicContact OD1-CG 3.67Å; D1086-H1089 PolarHBondContact OD1-N 2.8Å; D1086-H1089 IonicContact OD1-ND1 2.93Å; D1086-H1089 PolarHBondContact OD1-ND1 3.49Å; D1086-H1089 IonicContact OD2-CE1 3.6Å; D1086-H1089 IonicContact OD2-CG 2.73Å; D1086-H1089 IonicContact OD2-ND1 3.8Å; D1086-H1089 PolarHBondContact OD2-ND1 3.22Å; D1086-L1090 PolarHBondContact O-N 3.25Å
1087N69.5Low81.4Confident112 Ų11236.6 Ų36.660%0.59923%0.225SC*.Hα-helixtrans-68.1-21.9-177.1-69.7-19.2000113.4L1090 A1091N1087-L1090 PolarHBondContact O-N 3.17Å; N1087-A1091 PolarHBondContact O-N 3.4Å
1088A69.8Low81.2Confident77 Ų7739 Ų3964%0.63623%0.229SC*.Hα-helixtrans-71.2-39.1175.600000110.8D1086 A1091 K1092D1086-A1088 VanDerWaalsContact C-N 3.25Å; D1086-A1088 PolarHBondContact O-N 3.27Å; D1086-A1088 WeakPolarHBondContact OD1-CA 3.27Å; D1086-A1088 WeakPolarHBondContact OD1-CB 3.49Å; D1086-A1088 PolarHBondContact OD1-N 3.1Å; A1088-A1091 PolarHBondContact O-N 3.01Å; A1088-K1092 PolarHBondContact O-N 2.91Å
1089H76.7Confident80.5Confident36 Ų3645.1 Ų45.117%0.16725%0.249CC..Hα-helixtrans-61-42.6170.3-89.8101000112.1S1085 D1086 A1091 K1092 I1093S1085-H1089 PolarHBondContact OG-ND1 3.5Å; D1086-H1089 WeakPolarHBondContact O-CB 3.4Å; D1086-H1089 PolarHBondContact O-N 2.95Å; D1086-H1089 IonicContact OD1-CG 3.67Å; D1086-H1089 PolarHBondContact OD1-N 2.8Å; D1086-H1089 IonicContact OD1-ND1 2.93Å; D1086-H1089 PolarHBondContact OD1-ND1 3.49Å; D1086-H1089 IonicContact OD2-CE1 3.6Å; D1086-H1089 IonicContact OD2-CG 2.73Å; D1086-H1089 IonicContact OD2-ND1 3.8Å; D1086-H1089 PolarHBondContact OD2-ND1 3.22Å; H1089-A1091 PolarHBondContact O-N 2.97Å; H1089-K1092 WeakPolarHBondContact O-CB 3.41Å; H1089-K1092 PolarHBondContact O-N 2.83Å; H1089-I1093 VanDerWaalsContact O-CG1 3.3Å; H1089-I1093 WeakPolarHBondContact O-CG1 3.27Å; H1089-I1093 PolarHBondContact O-N 3.47Å
1090L83.2Confident79.4Confident13 Ų1344.6 Ų44.67%0.06825%0.248CC..Hα-helixtrans-56.9-47.6176.4-176.269.9000112.1Y1084 D1086 N1087 K1092 I1093 F1094 Q1159 I1166Y1084-L1090 HydrophobicContact CD1-CD1 4.12Å; Y1084-L1090 HydrophobicContact CD2-CB 4.24Å; Y1084-L1090 HydrophobicContact CE1-CD1 3.66Å; Y1084-L1090 HydrophobicContact CE1-CG 4.48Å; Y1084-L1090 HydrophobicContact CE2-CB 3.91Å; Y1084-L1090 HydrophobicContact CE2-CD1 4.47Å; Y1084-L1090 HydrophobicContact CE2-CD2 4.46Å; D1086-L1090 PolarHBondContact O-N 3.25Å; N1087-L1090 PolarHBondContact O-N 3.17Å; L1090-K1092 VanDerWaalsContact C-N 3.3Å; L1090-K1092 PolarHBondContact O-N 3.36Å; L1090-I1093 PolarHBondContact O-N 3.42Å; L1090-F1094 HydrophobicContact CD1-CD2 3.78Å; L1090-F1094 HydrophobicContact CD1-CE2 3.6Å; L1090-F1094 HydrophobicContact CG-CD2 4.13Å; L1090-F1094 HydrophobicContact CG-CE2 4.36Å; L1090-F1094 PolarHBondContact O-N 3.45Å; L1090-F1094 VanDerWaalsContact O-N 3.08Å; L1090-Q1159 HydrophobicContact CD1-CB 4.33Å; L1090-Q1159 HydrophobicContact CD2-CB 4.32Å; L1090-I1166 HydrophobicContact CD1-CD1 4.07Å; L1090-I1166 HydrophobicContact CD1-CG1 3.96Å
1091A81.9Confident78Confident59 Ų5944.9 Ų44.949%0.48825%0.252SS..Hα-helixtrans-60.7-40179.100000111.9N1087 A1088 H1089 S1095N1087-A1091 PolarHBondContact O-N 3.4Å; A1088-A1091 PolarHBondContact O-N 3.01Å; H1089-A1091 PolarHBondContact O-N 2.97Å; A1091-S1095 VanDerWaalsContact O-CB 3.26Å; A1091-S1095 WeakPolarHBondContact O-CB 3.32Å; A1091-S1095 PolarHBondContact O-N 3.37Å
1092K83.8Confident76.6Confident109 Ų10947.8 Ų47.847%0.47428%0.278SS..Hα-helixtrans-62.4-47.2174.8-175.2-174.1173.2-167.30111.6A1088 H1089 L1090 F1094 S1095 D1096A1088-K1092 PolarHBondContact O-N 2.91Å; H1089-K1092 WeakPolarHBondContact O-CB 3.41Å; H1089-K1092 PolarHBondContact O-N 2.83Å; L1090-K1092 VanDerWaalsContact C-N 3.3Å; L1090-K1092 PolarHBondContact O-N 3.36Å; K1092-F1094 PolarHBondContact O-N 3.4Å; K1092-S1095 WeakPolarHBondContact O-CB 3.41Å; K1092-S1095 PolarHBondContact O-N 3.29Å; K1092-D1096 PolarHBondContact O-N 3.05Å
1093I86.7Confident74.6Confident1 Ų154.7 Ų54.71%0.00531%0.314CS..Hα-helixtrans-59-49.8-179.5-66.6162.4000110.9H1089 L1090 S1095 D1096 L1097 I1166 N1206 L1208H1089-I1093 VanDerWaalsContact O-CG1 3.3Å; H1089-I1093 WeakPolarHBondContact O-CG1 3.27Å; H1089-I1093 PolarHBondContact O-N 3.47Å; L1090-I1093 PolarHBondContact O-N 3.42Å; I1093-S1095 VanDerWaalsContact C-N 3.33Å; I1093-S1095 PolarHBondContact O-N 3.22Å; I1093-D1096 WeakPolarHBondContact O-CB 3.3Å; I1093-D1096 PolarHBondContact O-N 2.95Å; I1093-D1096 VanDerWaalsContact O-N 3.14Å; I1093-L1097 HydrophobicContact CG2-CD1 4.07Å; I1093-L1097 HydrophobicContact CG2-CG 4.48Å; I1093-L1097 WeakPolarHBondContact O-CG 3.21Å; I1093-L1097 PolarHBondContact O-N 3.24Å; I1093-I1166 HydrophobicContact CB-CD1 4.43Å; I1093-I1166 HydrophobicContact CD1-CD1 3.89Å; I1093-I1166 HydrophobicContact CG2-CD1 3.79Å; I1093-N1206 HydrophobicContact CD1-CB 4.31Å; I1093-N1206 HydrophobicContact CG1-CB 3.94Å; I1093-L1208 HydrophobicContact CD1-CD1 4.37Å; I1093-L1208 HydrophobicContact CD1-CD2 3.77Å; I1093-L1208 HydrophobicContact CD1-CG 4.14Å
1094F87.8Confident72.6Confident0 Ų054.6 Ų54.60%032%0.318CS..Hα-helixtrans-70.1-29.9179.2-82.8-78.3000113L1090 K1092 D1096 L1097 R1098 N1143 I1145 I1157 Q1159 I1166L1090-F1094 HydrophobicContact CD1-CD2 3.78Å; L1090-F1094 HydrophobicContact CD1-CE2 3.6Å; L1090-F1094 HydrophobicContact CG-CD2 4.13Å; L1090-F1094 HydrophobicContact CG-CE2 4.36Å; L1090-F1094 PolarHBondContact O-N 3.45Å; L1090-F1094 VanDerWaalsContact O-N 3.08Å; K1092-F1094 PolarHBondContact O-N 3.4Å; F1094-D1096 VanDerWaalsContact C-N 3.34Å; F1094-L1097 HydrophobicContact CD1-CD1 3.89Å; F1094-L1097 HydrophobicContact CE1-CD1 4.02Å; F1094-L1097 HydrophobicContact CG-CD1 4.42Å; F1094-R1098 WeakPolarHBondContact O-CB 3.48Å; F1094-R1098 WeakPolarHBondContact O-CG 3.44Å; F1094-R1098 PolarHBondContact O-N 3.13Å; F1094-N1143 HydrophobicContact CB-CB 4.32Å; F1094-N1143 HydrophobicContact CD1-CB 3.4Å; F1094-N1143 VanDerWaalsContact CD1-CB 3.4Å; F1094-N1143 HydrophobicContact CD2-CB 3.59Å; F1094-N1143 HydrophobicContact CE1-CB 3.4Å; F1094-N1143 VanDerWaalsContact CE1-CB 3.4Å; F1094-N1143 HydrophobicContact CE2-CB 3.61Å; F1094-N1143 HydrophobicContact CG-CB 3.48Å; F1094-N1143 VanDerWaalsContact CG-CB 3.48Å; F1094-N1143 HydrophobicContact CZ-CB 3.51Å; F1094-I1145 HydrophobicContact CD1-CD1 3.82Å; F1094-I1145 HydrophobicContact CD1-CG1 4.27Å; F1094-I1145 HydrophobicContact CE1-CD1 4.32Å; F1094-I1145 HydrophobicContact CE1-CG1 4.38Å; F1094-I1157 HydrophobicContact CE1-CG2 4.2Å; F1094-I1157 HydrophobicContact CZ-CG2 4.16Å; F1094-Q1159 HydrophobicContact CE2-CB 4.14Å; F1094-Q1159 HydrophobicContact CZ-CB 4.42Å; F1094-I1166 HydrophobicContact CE2-CD1 4.32Å; F1094-I1166 HydrophobicContact CE2-CG1 4.24Å
1095S84.3Confident70.8Confident49 Ų4965 Ų6534%0.34336%0.357SS..Hα-helixtrans-61.3-42.6168.1-174.20000111.6A1091 K1092 I1093 R1098 R1099A1091-S1095 VanDerWaalsContact O-CB 3.26Å; A1091-S1095 WeakPolarHBondContact O-CB 3.32Å; A1091-S1095 PolarHBondContact O-N 3.37Å; K1092-S1095 WeakPolarHBondContact O-CB 3.41Å; K1092-S1095 PolarHBondContact O-N 3.29Å; I1093-S1095 VanDerWaalsContact C-N 3.33Å; I1093-S1095 PolarHBondContact O-N 3.22Å; S1095-R1098 PolarHBondContact O-N 2.98Å; S1095-R1099 WeakPolarHBondContact O-CB 3.46Å; S1095-R1099 WeakPolarHBondContact O-CG 3.45Å; S1095-R1099 PolarHBondContact O-N 3.09Å
1096D82.4Confident69.4Low36 Ų3666.7 Ų66.719%0.19337%0.37CS..Hα-helixtrans-68-39.4177.9-69.9-14000112.5K1092 I1093 F1094 R1099 A1100K1092-D1096 PolarHBondContact O-N 3.05Å; I1093-D1096 WeakPolarHBondContact O-CB 3.3Å; I1093-D1096 PolarHBondContact O-N 2.95Å; I1093-D1096 VanDerWaalsContact O-N 3.14Å; F1094-D1096 VanDerWaalsContact C-N 3.34Å; D1096-R1099 IonicContact OD1-CZ 2.76Å; D1096-R1099 IonicContact OD1-NE 2.78Å; D1096-R1099 IonicContact OD1-NH2 3.35Å; D1096-R1099 PolarHBondContact OD1-NH2 3.02Å; D1096-A1100 WeakPolarHBondContact O-CB 3.26Å; D1096-A1100 PolarHBondContact O-N 3.04Å
1097L85.4Confident68.2Low1 Ų170.2 Ų70.21%0.00539%0.393CS..Hα-helixtrans-63.2-42172.6-68.5171.3000111.7I1093 F1094 A1100 G1101 I1145 Y1147 I1157 F1200I1093-L1097 HydrophobicContact CG2-CD1 4.07Å; I1093-L1097 HydrophobicContact CG2-CG 4.48Å; I1093-L1097 WeakPolarHBondContact O-CG 3.21Å; I1093-L1097 PolarHBondContact O-N 3.24Å; F1094-L1097 HydrophobicContact CD1-CD1 3.89Å; F1094-L1097 HydrophobicContact CE1-CD1 4.02Å; F1094-L1097 HydrophobicContact CG-CD1 4.42Å; L1097-A1100 WeakPolarHBondContact O-CB 3.48Å; L1097-A1100 PolarHBondContact O-N 3.39Å; L1097-G1101 PolarHBondContact O-N 3.41Å; L1097-I1145 HydrophobicContact CB-CD1 3.86Å; L1097-Y1147 PolarHBondContact O-OH 3.14Å; L1097-I1157 HydrophobicContact CD1-CB 4.32Å; L1097-I1157 HydrophobicContact CD1-CD1 4.14Å; L1097-I1157 HydrophobicContact CD1-CG2 3.71Å; L1097-I1157 HydrophobicContact CD2-CD1 3.72Å; L1097-F1200 HydrophobicContact CD2-CB 4.24Å
1098R82.1Confident67.2Low68 Ų6866.9 Ų66.926%0.25738%0.381SS..Hα-helixtrans-66.6-45.2175.8-74.5174.8-174.7123.3-2.4112.5F1094 S1095 A1100 G1101 A1102 D1120 S1122 N1143 I1145F1094-R1098 WeakPolarHBondContact O-CB 3.48Å; F1094-R1098 WeakPolarHBondContact O-CG 3.44Å; F1094-R1098 PolarHBondContact O-N 3.13Å; S1095-R1098 PolarHBondContact O-N 2.98Å; R1098-A1100 VanDerWaalsContact C-N 3.26Å; R1098-A1100 PolarHBondContact O-N 3.42Å; R1098-G1101 PolarHBondContact O-N 2.83Å; R1098-G1101 VanDerWaalsContact O-N 3.1Å; R1098-A1102 WeakPolarHBondContact O-CB 2.94Å; R1098-A1102 PolarHBondContact O-N 3.46Å; R1098-D1120 IonicContact CZ-OD2 3.02Å; R1098-D1120 IonicContact NE-OD2 3.44Å; R1098-D1120 PolarHBondContact NE-OD2 2.78Å; R1098-D1120 IonicContact NH2-OD2 2.69Å; R1098-S1122 PolarHBondContact NH2-OG 3.22Å; R1098-N1143 PolarHBondContact NH1-OD1 2.84Å; R1098-N1143 PolarHBondContact NH2-OD1 2.88Å; R1098-I1145 HydrophobicContact CG-CD1 3.92Å
1099R72.9Confident66.3Low151 Ų15167 Ų6757%0.5738%0.378SS*.Hα-helixtrans-59.8-39175.9-78-168.1-74.2-175.9-5.7111.7S1095 D1096 G1101 A1102 L1103S1095-R1099 WeakPolarHBondContact O-CB 3.46Å; S1095-R1099 WeakPolarHBondContact O-CG 3.45Å; S1095-R1099 PolarHBondContact O-N 3.09Å; D1096-R1099 IonicContact OD1-CZ 2.76Å; D1096-R1099 IonicContact OD1-NE 2.78Å; D1096-R1099 IonicContact OD1-NH2 3.35Å; D1096-R1099 PolarHBondContact OD1-NH2 3.02Å; R1099-G1101 VanDerWaalsContact C-N 3.3Å; R1099-G1101 PolarHBondContact O-N 3.05Å; R1099-A1102 PolarHBondContact O-N 3.39Å; R1099-L1103 PolarHBondContact O-N 3.41Å
1100A62.8Low65.3Low23 Ų2368.1 Ų68.119%0.1938%0.38CS..Hα-helixtrans-62.8-35.8175.400000113.2D1096 L1097 R1098D1096-A1100 WeakPolarHBondContact O-CB 3.26Å; D1096-A1100 PolarHBondContact O-N 3.04Å; L1097-A1100 WeakPolarHBondContact O-CB 3.48Å; L1097-A1100 PolarHBondContact O-N 3.39Å; R1098-A1100 VanDerWaalsContact C-N 3.26Å; R1098-A1100 PolarHBondContact O-N 3.42Å
1101G57.2Low64.3Low14 Ų1470 Ų7014%0.14440%0.403CS..Hα-helixtrans-77.6-36.7174.600000114.1L1097 R1098 R1099 L1103 G1104L1097-G1101 PolarHBondContact O-N 3.41Å; R1098-G1101 PolarHBondContact O-N 2.83Å; R1098-G1101 VanDerWaalsContact O-N 3.1Å; R1099-G1101 VanDerWaalsContact C-N 3.3Å; R1099-G1101 PolarHBondContact O-N 3.05Å; G1101-L1103 VanDerWaalsContact C-N 3.35Å; G1101-L1103 PolarHBondContact O-N 3.18Å; G1101-G1104 PolarHBondContact O-N 3.36Å
1102A54.1Low63.8Low69 Ų6973.9 Ų73.957%0.5741%0.411SS*.Hα-helixtrans-73.5-20.4-176.900000114.4R1098 R1099 G1104R1098-A1102 WeakPolarHBondContact O-CB 2.94Å; R1098-A1102 PolarHBondContact O-N 3.46Å; R1099-A1102 PolarHBondContact O-N 3.39Å; A1102-G1104 PolarHBondContact O-N 3Å
1103L45.1Very low63.7Low146 Ų14669.3 Ų69.376%0.76439%0.392SS*.THydrogen-bonded Turntrans-69.1-1.7172.5-81.6160000113.5R1099 G1101 R1105R1099-L1103 PolarHBondContact O-N 3.41Å; G1101-L1103 VanDerWaalsContact C-N 3.35Å; G1101-L1103 PolarHBondContact O-N 3.18Å; L1103-R1105 PolarHBondContact O-N 3.38Å
1104G40.9Very low63.5Low33 Ų3375.9 Ų75.934%0.3442%0.42SS..  trans-9471-178.600000115.1G1101 A1102G1101-G1104 PolarHBondContact O-N 3.36Å; A1102-G1104 PolarHBondContact O-N 3Å
1105R40.6Very low63.3Low244 Ų24477.4 Ų77.492%0.92143%0.43SS*.SBendtrans-85.3106.9141.9-77.8-176.5-179.3174.70.3105.5L1103L1103-R1105 PolarHBondContact O-N 3.38Å
1106S41.8Very low63.3Low104 Ų10483.9 Ų83.973%0.72745%0.446SS*.SBendtrans79.3133.6-169.587.90000114.9A1108S1106-A1108 PolarHBondContact O-N 3.39Å
1107T42.6Very low63.3Low129 Ų12983.8 Ų83.879%0.79145%0.445SS*.  trans-15.884.3171520000115.4S1109T1107-S1109 PolarHBondContact O-N 3.07Å
1108A48.9Very low63.3Low43 Ų4384 Ų8436%0.35545%0.446SS..  trans-86.1111.8176.300000109S1106S1106-A1108 PolarHBondContact O-N 3.39Å
1109S50.6Low63.4Low80 Ų8082.7 Ų82.756%0.55944%0.441SS*.EExtended strand (participates in β ladder)trans-71.4127.1162.749.80000108.8T1107 L1113T1107-S1109 PolarHBondContact O-N 3.07Å; S1109-L1113 WeakPolarHBondContact CA-O 3.27Å
1110R56.5Low64Low59 Ų5975.6 Ų75.622%0.22341%0.414CS..EExtended strand (participates in β ladder)trans-110.9104.1169.4-163.9-179.2-164-1651.8107.2E1112 L1113 D1199 F1200R1110-E1112 PolarHBondContact O-N 2.99Å; R1110-L1113 PolarHBondContact N-O 3.27Å; R1110-L1113 VanDerWaalsContact N-O 3.08Å; R1110-L1113 PolarHBondContact O-N 3.18Å; R1110-D1199 PolarHBondContact NE-O 2.63Å; R1110-F1200 HydrophobicContact CB-CE2 4.21Å; R1110-F1200 HydrophobicContact CB-CZ 4.07Å
1111G61.4Low64.9Low53 Ų5374.9 Ų74.955%0.54641%0.407SS..THydrogen-bonded Turntrans62.8-129.1-164.100000110.5D1199G1111-D1199 WeakPolarHBondContact CA-OD2 3.35Å
1112E72.4Confident65.9Low140 Ų14074.8 Ų74.865%0.65440%0.404SS*.THydrogen-bonded Turntrans-85.5-14.5-176.9-66.4173-149.300113.1R1110 L1195 D1199R1110-E1112 PolarHBondContact O-N 2.99Å; E1112-L1195 HydrophobicContact CB-CD1 4.17Å; E1112-L1195 HydrophobicContact CB-CD2 4.07Å; E1112-L1195 HydrophobicContact CG-CD2 4.3Å; E1112-D1199 PolarHBondContact N-OD2 2.93Å
1113L82.4Confident66.9Low13 Ų1374.2 Ų74.27%0.06839%0.394CS..EExtended strand (participates in β ladder)trans-89.8127.1-173.2-60.2179.8000112.5S1109 R1110 L1149 L1192 L1195 V1196 F1200S1109-L1113 WeakPolarHBondContact CA-O 3.27Å; R1110-L1113 PolarHBondContact N-O 3.27Å; R1110-L1113 VanDerWaalsContact N-O 3.08Å; R1110-L1113 PolarHBondContact O-N 3.18Å; L1113-L1149 HydrophobicContact CB-CD2 4.09Å; L1113-L1149 HydrophobicContact CD2-CD1 3.95Å; L1113-L1192 HydrophobicContact CD1-CD1 4.07Å; L1113-L1192 HydrophobicContact CD2-CD1 3.61Å; L1113-L1195 HydrophobicContact CD1-CB 3.88Å; L1113-L1195 HydrophobicContact CD2-CB 4.03Å; L1113-L1195 HydrophobicContact CD2-CD1 3.73Å; L1113-L1195 HydrophobicContact CG-CB 3.96Å; L1113-L1195 HydrophobicContact CG-CD1 4.34Å; L1113-V1196 HydrophobicContact CD1-CG2 3.79Å; L1113-F1200 HydrophobicContact CB-CE2 4.35Å; L1113-F1200 HydrophobicContact CD1-CD2 4.32Å; L1113-F1200 HydrophobicContact CD1-CE2 3.97Å
1114K82.3Confident68.4Low139 Ų13967.6 Ų67.660%0.60436%0.361SS*.EExtended strand (participates in β ladder)trans-95.2103.3173.9-69.1-178.2-178.3178.40110.6R1116 L1149 S1150K1114-R1116 PolarHBondContact O-N 3.35Å; K1114-L1149 WeakPolarHBondContact O-CA 3.34Å; K1114-L1149 WeakPolarHBondContact O-CD2 3.38Å; K1114-S1150 PolarHBondContact O-N 3.23Å
1115V83.4Confident70.2Confident32 Ų3270.3 Ų70.319%0.19436%0.361CS..EExtended strand (participates in β ladder)trans-74.6118.2175.91800000109.4Y1147 L1149 F1200V1115-Y1147 HydrophobicContact CG1-CD1 3.98Å; V1115-Y1147 HydrophobicContact CG2-CD1 4.28Å; V1115-L1149 HydrophobicContact CG2-CD2 4.11Å; V1115-F1200 HydrophobicContact CG2-CE1 4.31Å; V1115-F1200 HydrophobicContact CG2-CZ 3.69Å
1116R83.5Confident72Confident185 Ų18560.9 Ų60.970%0.69833%0.329SS*.EExtended strand (participates in β ladder)trans-80.8-40.6172178.6-179.5176.4178.9-0.6110.8K1114 T1148K1114-R1116 PolarHBondContact O-N 3.35Å; R1116-T1148 WeakPolarHBondContact CA-O 3.46Å; R1116-T1148 WeakPolarHBondContact CB-O 3.43Å; R1116-T1148 PolarHBondContact N-O 2.83Å
1117H82.7Confident73.6Confident34 Ų3458 Ų5816%0.15731%0.309CS..EExtended strand (participates in β ladder)trans-153.6141-168.8170.6-126.5000111.7R1119 N1126 S1127 G1128 Y1147 T1148H1117-R1119 WeakPolarHBondContact CE1-CG 3.43Å; H1117-N1126 PolarHBondContact NE2-OD1 2.91Å; H1117-S1127 WeakPolarHBondContact CA-OG 3.48Å; H1117-S1127 PolarHBondContact CD2-OG 2.81Å; H1117-G1128 WeakPolarHBondContact CD2-CA 3.26Å; H1117-G1128 PolarHBondContact CD2-N 3.36Å; H1117-G1128 PolarHBondContact NE2-N 2.85Å; H1117-Y1147 CarbonylContact O-C 3.54Å; H1117-Y1147 WeakPolarHBondContact O-CA 3.38Å; H1117-T1148 PolarHBondContact N-O 3.25Å; H1117-T1148 PolarHBondContact O-N 3.09Å
1118M85Confident74.7Confident5 Ų554.1 Ų54.13%0.02529%0.294CS..EExtended strand (participates in β ladder)trans-127.3132.4174.7-178.8-148.1-175.600109.4D1120 Y1125 S1127 I1145 T1146 Y1147M1118-D1120 HydrophobicContact CE-CB 4.16Å; M1118-Y1125 HydrophobicContact SD-CD1 3.86Å; M1118-Y1125 HydrophobicContact SD-CE1 3.65Å; M1118-S1127 PolarHBondContact N-OG 3.13Å; M1118-S1127 PolarHBondContact O-N 3.01Å; M1118-I1145 HydrophobicContact CE-CD1 4.12Å; M1118-I1145 HydrophobicContact CE-CG1 4.48Å; M1118-I1145 HydrophobicContact CE-CG2 3.42Å; M1118-I1145 VanDerWaalsContact CE-CG2 3.42Å; M1118-I1145 HydrophobicContact CG-CG2 3.98Å; M1118-T1146 CarbonylContact C-O 3.6Å; M1118-T1146 WeakPolarHBondContact CA-O 3.32Å; M1118-Y1147 HydrophobicContact CB-CD1 4.09Å; M1118-Y1147 HydrophobicContact CB-CE1 4.22Å; M1118-Y1147 HydrophobicContact CE-CE1 4.42Å; M1118-Y1147 HydrophobicContact CG-CD1 3.92Å; M1118-Y1147 HydrophobicContact CG-CE1 3.67Å; M1118-Y1147 HydrophobicContact SD-CE1 4.33Å
1119R85.1Confident75Confident40 Ų4056.7 Ų56.715%0.15130%0.299CS..EExtended strand (participates in β ladder)trans-118.1121.3167-63.2-172.4-74.8166.51.2109.2E998 H1117 L1121 Y1125 I1145 T1146E998-R1119 IonicContact OE1-NH2 2.73Å; E998-R1119 IonicContact OE2-CZ 2.67Å; E998-R1119 IonicContact OE2-NH1 2.8Å; E998-R1119 PolarHBondContact OE2-NH1 3.03Å; E998-R1119 IonicContact OE2-NH2 3.29Å; E998-R1119 PolarHBondContact OE2-NH2 2.87Å; E998-R1119 VanDerWaalsContact OE2-NH2 3.1Å; H1117-R1119 WeakPolarHBondContact CE1-CG 3.43Å; R1119-L1121 HydrophobicContact CB-CD2 4.37Å; R1119-Y1125 CarbonylContact C-O 3.59Å; R1119-Y1125 WeakPolarHBondContact CA-O 3.45Å; R1119-I1145 CarbonylContact O-C 3.58Å; R1119-I1145 WeakPolarHBondContact O-CA 3.09Å; R1119-T1146 PolarHBondContact N-O 3.31Å; R1119-T1146 PolarHBondContact O-N 3.24Å
1120D85.6Confident74.7Confident3 Ų359.3 Ų59.32%0.01631%0.314CS..EExtended strand (participates in β ladder)trans-102.2100166.4-179-6.1000108.4R1098 M1118 S1122 T1123 G1124 Y1125 I1145R1098-D1120 IonicContact CZ-OD2 3.02Å; R1098-D1120 IonicContact NE-OD2 3.44Å; R1098-D1120 PolarHBondContact NE-OD2 2.78Å; R1098-D1120 IonicContact NH2-OD2 2.69Å; M1118-D1120 HydrophobicContact CE-CB 4.16Å; D1120-S1122 PolarHBondContact O-N 2.97Å; D1120-S1122 WeakPolarHBondContact OD1-CA 3.44Å; D1120-S1122 WeakPolarHBondContact OD1-CB 3.49Å; D1120-S1122 PolarHBondContact OD1-N 2.97Å; D1120-S1122 PolarHBondContact OD1-OG 3.46Å; D1120-T1123 WeakPolarHBondContact CB-OG1 3.22Å; D1120-T1123 PolarHBondContact O-N 3.34Å; D1120-T1123 PolarHBondContact OD1-N 2.95Å; D1120-T1123 WeakPolarHBondContact OD2-CG2 3.46Å; D1120-T1123 PolarHBondContact OD2-OG1 3.33Å; D1120-G1124 CarbonylContact O-C 3.58Å; D1120-G1124 WeakPolarHBondContact O-CA 3.28Å; D1120-G1124 PolarHBondContact O-N 2.76Å; D1120-Y1125 PolarHBondContact N-O 3.13Å; D1120-Y1125 PolarHBondContact O-N 3.07Å; D1120-I1145 HydrophobicContact CB-CG1 4.26Å
1121L81.5Confident74.1Confident8 Ų859.9 Ų59.94%0.04234%0.338CS..THydrogen-bonded Turntrans-69.2-17.1-179.1-55.5-179.3000112.1A979 L1000 R1119 W1138 S1139 V1144A979-L1121 HydrophobicContact CB-CD1 3.36Å; L1000-L1121 HydrophobicContact CD2-CB 4.18Å; L1000-L1121 HydrophobicContact CD2-CD1 4.34Å; R1119-L1121 HydrophobicContact CB-CD2 4.37Å; L1121-W1138 HydrophobicContact CB-CB 4.47Å; L1121-W1138 HydrophobicContact CD1-CE3 4.49Å; L1121-W1138 HydrophobicContact CD2-CD2 4.3Å; L1121-W1138 HydrophobicContact CD2-CE3 4.28Å; L1121-W1138 PolarHBondContact O-N 3.33Å; L1121-W1138 VanDerWaalsContact O-N 3.07Å; L1121-S1139 PolarHBondContact O-N 3.46Å; L1121-V1144 HydrophobicContact CB-CB 4.28Å; L1121-V1144 HydrophobicContact CD1-CB 4.44Å; L1121-V1144 HydrophobicContact CD1-CG1 3.92Å; L1121-V1144 PolarHBondContact N-O 3.25Å
1122S76.9Confident73.1Confident11 Ų1163.6 Ų63.68%0.07734%0.343CS..THydrogen-bonded Turntrans-83.6-23.3179.570.80000113.8R1098 D1120 S1139 Y1142R1098-S1122 PolarHBondContact NH2-OG 3.22Å; D1120-S1122 PolarHBondContact O-N 2.97Å; D1120-S1122 WeakPolarHBondContact OD1-CA 3.44Å; D1120-S1122 WeakPolarHBondContact OD1-CB 3.49Å; D1120-S1122 PolarHBondContact OD1-N 2.97Å; D1120-S1122 PolarHBondContact OD1-OG 3.46Å; S1122-S1139 WeakPolarHBondContact CA-O 3.38Å; S1122-Y1142 WeakPolarHBondContact CB-O 3.45Å
1123T76.4Confident71.6Confident57 Ų5766.3 Ų66.335%0.3535%0.353SS..THydrogen-bonded Turntrans-112.5-10175.560.60000113.1D1120 Y1125D1120-T1123 WeakPolarHBondContact CB-OG1 3.22Å; D1120-T1123 PolarHBondContact O-N 3.34Å; D1120-T1123 PolarHBondContact OD1-N 2.95Å; D1120-T1123 WeakPolarHBondContact OD2-CG2 3.46Å; D1120-T1123 PolarHBondContact OD2-OG1 3.33Å; T1123-Y1125 PolarHBondContact O-N 3.47Å; T1123-Y1125 WeakPolarHBondContact OG1-CB 3.34Å; T1123-Y1125 PolarHBondContact OG1-N 3Å
1124G75.5Confident70Confident7 Ų772.2 Ų72.27%0.07238%0.384CS..THydrogen-bonded Turntrans75.26.8-172.400000113.6D1120 A1135D1120-G1124 CarbonylContact O-C 3.58Å; D1120-G1124 WeakPolarHBondContact O-CA 3.28Å; D1120-G1124 PolarHBondContact O-N 2.76Å; G1124-A1135 WeakPolarHBondContact CA-O 3.42Å
1125Y78.3Confident68.6Low91 Ų9167.7 Ų67.736%0.35737%0.373SS..EExtended strand (participates in β ladder)trans-71.2132.7178.9174.7-95.6000110.9M1118 R1119 D1120 T1123M1118-Y1125 HydrophobicContact SD-CD1 3.86Å; M1118-Y1125 HydrophobicContact SD-CE1 3.65Å; R1119-Y1125 CarbonylContact C-O 3.59Å; R1119-Y1125 WeakPolarHBondContact CA-O 3.45Å; D1120-Y1125 PolarHBondContact N-O 3.13Å; D1120-Y1125 PolarHBondContact O-N 3.07Å; T1123-Y1125 PolarHBondContact O-N 3.47Å; T1123-Y1125 WeakPolarHBondContact OG1-CB 3.34Å; T1123-Y1125 PolarHBondContact OG1-N 3Å
1126N78.9Confident67.2Low45 Ų4571.5 Ų71.524%0.24140%0.396CS..EExtended strand (participates in β ladder)trans-139116.5179.3179.8-8.2000109H1117 G1128H1117-N1126 PolarHBondContact NE2-OD1 2.91Å; N1126-G1128 VanDerWaalsContact C-N 3.3Å; N1126-G1128 PolarHBondContact O-N 3.26Å; N1126-G1128 PolarHBondContact OD1-N 2.82Å
1127S76Confident65.8Low45 Ų4564.7 Ų64.732%0.31538%0.376SS..THydrogen-bonded Turntrans-80.3-8.6-17881.80000114.1H1117 M1118H1117-S1127 WeakPolarHBondContact CA-OG 3.48Å; H1117-S1127 PolarHBondContact CD2-OG 2.81Å; M1118-S1127 PolarHBondContact N-OG 3.13Å; M1118-S1127 PolarHBondContact O-N 3.01Å
1128G65.4Low64.7Low46 Ų4668.4 Ų68.447%0.47439%0.389SS..THydrogen-bonded Turntrans-92.6-10.6-17200000114.1H1117 N1126 P1130H1117-G1128 WeakPolarHBondContact CD2-CA 3.26Å; H1117-G1128 PolarHBondContact CD2-N 3.36Å; H1117-G1128 PolarHBondContact NE2-N 2.85Å; N1126-G1128 VanDerWaalsContact C-N 3.3Å; N1126-G1128 PolarHBondContact O-N 3.26Å; N1126-G1128 PolarHBondContact OD1-N 2.82Å; G1128-P1130 WeakPolarHBondContact O-CD 3.32Å
1129E55.9Low63.5Low98 Ų9868.3 Ų68.346%0.45839%0.388SS..SBendtrans-121.285.9177.6-72177.2178.600109.6G1131 M1132E1129-G1131 PolarHBondContact O-N 2.96Å; E1129-M1132 HydrophobicContact CB-CB 4.38Å; E1129-M1132 PolarHBondContact O-N 2.88Å
1130P43.8Very low62.1Low134 Ų13469.1 Ų69.187%0.8740%0.399SS*.THydrogen-bonded Turntrans-66.296.1175.5-12.427.1000109.5G1128G1128-P1130 WeakPolarHBondContact O-CD 3.32Å
1131G43.5Very low61Low71 Ų7172.7 Ų72.773%0.73242%0.417SS*.THydrogen-bonded Turntrans141.8-27.5177.200000115.1E1129 K1133E1129-G1131 PolarHBondContact O-N 2.96Å; G1131-K1133 VanDerWaalsContact C-N 3.27Å; G1131-K1133 PolarHBondContact O-N 3.44Å
1132M40.6Very low60.5Low132 Ų13273.3 Ų73.365%0.6542%0.419SS*.  trans-79.678.6168.5-80.6-148.4170.500109.5E1129 N1134E1129-M1132 HydrophobicContact CB-CB 4.38Å; E1129-M1132 PolarHBondContact O-N 2.88Å; M1132-N1134 PolarHBondContact O-N 3.46Å; M1132-N1134 VanDerWaalsContact O-N 3.13Å
1133K40.3Very low60.9Low197 Ų19774 Ų7486%0.85742%0.422SS*.  trans-63112.7166.2-79-177.3177176.80108.4G1131G1131-K1133 VanDerWaalsContact C-N 3.27Å; G1131-K1133 PolarHBondContact O-N 3.44Å
1134N48.4Very low61.4Low137 Ų13771.6 Ų71.673%0.73341%0.407SS*.  trans65.377.8169.7-51.7-11.8000114.4M1132 T1136M1132-N1134 PolarHBondContact O-N 3.46Å; M1132-N1134 VanDerWaalsContact O-N 3.13Å; N1134-T1136 PolarHBondContact O-N 3.41Å
1135A53Low62Low43 Ų4371.2 Ų71.236%0.35540%0.404SS..PPolyproline II helixtrans-54.3139.2152.500000107.7G1124 P1137G1124-A1135 WeakPolarHBondContact CA-O 3.42Å; A1135-P1137 VanDerWaalsContact O-N 3.14Å
1136T54.7Low62.5Low112 Ų11267 Ų6769%0.68739%0.387SS*.PPolyproline II helixtrans-49.8126.8175.2-53.50000108.2N1134 W1138N1134-T1136 PolarHBondContact O-N 3.41Å; T1136-W1138 PolarHBondContact O-N 3.39Å; T1136-W1138 VanDerWaalsContact O-N 3.08Å
1137P54.3Low63Low43 Ų4364.9 Ų64.928%0.27938%0.376SS..PPolyproline II helixtrans-50.2124.3176.4-24.930.9000108.8A1135 S1139A1135-P1137 VanDerWaalsContact O-N 3.14Å; P1137-S1139 PolarHBondContact O-N 2.98Å
1138W60.3Low63.6Low112 Ų11264 Ų6442%0.42437%0.368SS..SBendtrans-62.8-42.6177.1-72.119.4000108E998 L1000 L1121 T1136E998-W1138 HydrophobicContact CB-CZ3 4.46Å; E998-W1138 WeakPolarHBondContact O-CH2 3.42Å; E998-W1138 WeakPolarHBondContact O-CZ3 3.47Å; L1000-W1138 HydrophobicContact CD1-CB 4.18Å; L1000-W1138 VanDerWaalsContact CD1-O 3.24Å; L1000-W1138 WeakPolarHBondContact CD1-O 3.48Å; L1000-W1138 HydrophobicContact CD2-CB 3.57Å; L1000-W1138 HydrophobicContact CD2-CE3 4.37Å; L1000-W1138 HydrophobicContact CG-CB 3.82Å; L1000-W1138 HydrophobicContact CG-CE3 4.42Å; L1121-W1138 HydrophobicContact CB-CB 4.47Å; L1121-W1138 HydrophobicContact CD1-CE3 4.49Å; L1121-W1138 HydrophobicContact CD2-CD2 4.3Å; L1121-W1138 HydrophobicContact CD2-CE3 4.28Å; L1121-W1138 PolarHBondContact O-N 3.33Å; L1121-W1138 VanDerWaalsContact O-N 3.07Å; T1136-W1138 PolarHBondContact O-N 3.39Å; T1136-W1138 VanDerWaalsContact O-N 3.08Å
1139S59Low64.7Low2 Ų262 Ų621%0.01435%0.347CS..  trans-128.695.2179.7-175.80000112.4L1121 S1122 P1137 I1141 Y1142L1121-S1139 PolarHBondContact O-N 3.46Å; S1122-S1139 WeakPolarHBondContact CA-O 3.38Å; P1137-S1139 PolarHBondContact O-N 2.98Å; S1139-I1141 PolarHBondContact O-N 2.92Å; S1139-Y1142 WeakPolarHBondContact OG-CB 3.41Å; S1139-Y1142 WeakPolarHBondContact OG-CD2 3.18Å; S1139-Y1142 PolarHBondContact OG-N 2.83Å
1140P54.7Low66Low57 Ų5760.9 Ų60.937%0.3735%0.35SS..SBendtrans-68.6-3.3173.226.7-31.6000113.5
1141I63Low67.9Low79 Ų7958.3 Ų58.341%0.40533%0.329SS..SBendtrans-110.3-36.9-170-52.7175.6000112S1139 Q1159S1139-I1141 PolarHBondContact O-N 2.92Å; I1141-Q1159 PolarHBondContact O-NE2 3.44Å
1142Y72.3Confident69.8Low20 Ų2056.1 Ų56.18%0.07831%0.306CS..SBendtrans-113126.2-174.8-55.4-83000111.5F663 G664 I665 S1122 S1139 V1144 Q1159F663-Y1142 PolarHBondContact O-OH 3.21Å; G664-Y1142 WeakPolarHBondContact CA-OH 3.22Å; G664-Y1142 PolarHBondContact O-OH 3.13Å; I665-Y1142 HydrophobicContact CD1-CD1 4.02Å; I665-Y1142 HydrophobicContact CD1-CE1 4.3Å; I665-Y1142 HydrophobicContact CG1-CD1 3.65Å; I665-Y1142 HydrophobicContact CG1-CD2 4.43Å; I665-Y1142 HydrophobicContact CG1-CE1 3.48Å; I665-Y1142 VanDerWaalsContact CG1-CE1 3.48Å; I665-Y1142 HydrophobicContact CG1-CE2 4.24Å; I665-Y1142 HydrophobicContact CG1-CG 4.2Å; I665-Y1142 PolarHBondContact N-OH 3.06Å; S1122-Y1142 WeakPolarHBondContact CB-O 3.45Å; S1139-Y1142 WeakPolarHBondContact OG-CB 3.41Å; S1139-Y1142 WeakPolarHBondContact OG-CD2 3.18Å; S1139-Y1142 PolarHBondContact OG-N 2.83Å; Y1142-V1144 PolarHBondContact O-N 3.45Å; Y1142-Q1159 HydrophobicContact CD1-CG 4.16Å
1143N84.3Confident72.2Confident26 Ų2649.9 Ų49.914%0.13928%0.276CS..  trans-67.3118.4171.7-63.3-63.7000110.8F1094 R1098 R1158 Q1159F1094-N1143 HydrophobicContact CB-CB 4.32Å; F1094-N1143 HydrophobicContact CD1-CB 3.4Å; F1094-N1143 VanDerWaalsContact CD1-CB 3.4Å; F1094-N1143 HydrophobicContact CD2-CB 3.59Å; F1094-N1143 HydrophobicContact CE1-CB 3.4Å; F1094-N1143 VanDerWaalsContact CE1-CB 3.4Å; F1094-N1143 HydrophobicContact CE2-CB 3.61Å; F1094-N1143 HydrophobicContact CG-CB 3.48Å; F1094-N1143 VanDerWaalsContact CG-CB 3.48Å; F1094-N1143 HydrophobicContact CZ-CB 3.51Å; R1098-N1143 PolarHBondContact NH1-OD1 2.84Å; R1098-N1143 PolarHBondContact NH2-OD1 2.88Å; N1143-R1158 VanDerWaalsContact O-CA 3.3Å; N1143-R1158 WeakPolarHBondContact O-CA 3.08Å; N1143-Q1159 HydrophobicContact CB-CB 4.46Å; N1143-Q1159 HydrophobicContact CB-CG 4.44Å; N1143-Q1159 VanDerWaalsContact N-CD 3.33Å; N1143-Q1159 PolarHBondContact ND2-OE1 2.99Å; N1143-Q1159 PolarHBondContact O-N 3.46Å
1144V86.7Confident74.6Confident6 Ų641.1 Ų41.14%0.03624%0.239CC..EExtended strand (participates in β ladder)trans-142.9115.6175.5-174.60000109L1121 Y1142 T1156 R1158L1121-V1144 HydrophobicContact CB-CB 4.28Å; L1121-V1144 HydrophobicContact CD1-CB 4.44Å; L1121-V1144 HydrophobicContact CD1-CG1 3.92Å; L1121-V1144 PolarHBondContact N-O 3.25Å; Y1142-V1144 PolarHBondContact O-N 3.45Å; V1144-T1156 HydrophobicContact CG1-CG2 3.78Å; V1144-R1158 HydrophobicContact CB-CB 4.43Å; V1144-R1158 HydrophobicContact CG1-CB 4.26Å; V1144-R1158 HydrophobicContact CG2-CB 4.04Å
1145I88.7Confident76.6Confident0 Ų034.6 Ų34.60%020%0.204CC..EExtended strand (participates in β ladder)trans-124.4123.3-179.8-54.6177.1000109.3F1094 L1097 R1098 M1118 R1119 D1120 Y1147 T1156 I1157F1094-I1145 HydrophobicContact CD1-CD1 3.82Å; F1094-I1145 HydrophobicContact CD1-CG1 4.27Å; F1094-I1145 HydrophobicContact CE1-CD1 4.32Å; F1094-I1145 HydrophobicContact CE1-CG1 4.38Å; L1097-I1145 HydrophobicContact CB-CD1 3.86Å; R1098-I1145 HydrophobicContact CG-CD1 3.92Å; M1118-I1145 HydrophobicContact CE-CD1 4.12Å; M1118-I1145 HydrophobicContact CE-CG1 4.48Å; M1118-I1145 HydrophobicContact CE-CG2 3.42Å; M1118-I1145 VanDerWaalsContact CE-CG2 3.42Å; M1118-I1145 HydrophobicContact CG-CG2 3.98Å; R1119-I1145 CarbonylContact O-C 3.58Å; R1119-I1145 WeakPolarHBondContact O-CA 3.09Å; D1120-I1145 HydrophobicContact CB-CG1 4.26Å; I1145-Y1147 HydrophobicContact CB-CE2 4.16Å; I1145-Y1147 HydrophobicContact CG2-CD2 3.99Å; I1145-Y1147 HydrophobicContact CG2-CE1 4.34Å; I1145-Y1147 HydrophobicContact CG2-CE2 3.35Å; I1145-T1156 CarbonylContact O-C 3.59Å; I1145-T1156 VanDerWaalsContact O-CA 3.29Å; I1145-T1156 WeakPolarHBondContact O-CA 3.43Å; I1145-I1157 PolarHBondContact N-O 2.94Å; I1145-I1157 PolarHBondContact O-N 3.2Å
1146T88.7Confident78.4Confident1 Ų132.7 Ų32.71%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-108131.9175-57.70000110M1118 R1119 F1155 T1156M1118-T1146 CarbonylContact C-O 3.6Å; M1118-T1146 WeakPolarHBondContact CA-O 3.32Å; R1119-T1146 PolarHBondContact N-O 3.31Å; R1119-T1146 PolarHBondContact O-N 3.24Å; T1146-F1155 CarbonylContact C-O 3.43Å; T1146-F1155 WeakPolarHBondContact CA-O 3.46Å; T1146-T1156 WeakPolarHBondContact CG2-OG1 3.24Å; T1146-T1156 PolarHBondContact OG1-OG1 3.17Å
1147Y88.9Confident80.2Confident1 Ų127.4 Ų27.40%0.00416%0.155CC..EExtended strand (participates in β ladder)trans-114.1137.7173.2-61.8-92.6000109.4L1097 V1115 H1117 M1118 I1145 T1154 F1155 I1157 F1200L1097-Y1147 PolarHBondContact O-OH 3.14Å; V1115-Y1147 HydrophobicContact CG1-CD1 3.98Å; V1115-Y1147 HydrophobicContact CG2-CD1 4.28Å; H1117-Y1147 CarbonylContact O-C 3.54Å; H1117-Y1147 WeakPolarHBondContact O-CA 3.38Å; M1118-Y1147 HydrophobicContact CB-CD1 4.09Å; M1118-Y1147 HydrophobicContact CB-CE1 4.22Å; M1118-Y1147 HydrophobicContact CE-CE1 4.42Å; M1118-Y1147 HydrophobicContact CG-CD1 3.92Å; M1118-Y1147 HydrophobicContact CG-CE1 3.67Å; M1118-Y1147 HydrophobicContact SD-CE1 4.33Å; I1145-Y1147 HydrophobicContact CB-CE2 4.16Å; I1145-Y1147 HydrophobicContact CG2-CD2 3.99Å; I1145-Y1147 HydrophobicContact CG2-CE1 4.34Å; I1145-Y1147 HydrophobicContact CG2-CE2 3.35Å; Y1147-T1154 CarbonylContact O-C 3.59Å; Y1147-T1154 VanDerWaalsContact O-CA 3.23Å; Y1147-T1154 WeakPolarHBondContact O-CA 3.4Å; Y1147-F1155 VanDerWaalsContact CB-CE1 3.49Å; Y1147-F1155 HydrophobicContact CD1-CZ 4.26Å; Y1147-F1155 AromaticContact CD2-CD2 3.77Å; Y1147-F1155 HydrophobicContact CD2-CD2 3.77Å; Y1147-F1155 HydrophobicContact CD2-CE1 4.47Å; Y1147-F1155 AromaticContact CD2-CE2 3.17Å; Y1147-F1155 HydrophobicContact CD2-CE2 3.17Å; Y1147-F1155 AromaticContact CD2-CZ 3.59Å; Y1147-F1155 HydrophobicContact CD2-CZ 3.59Å; Y1147-F1155 AromaticContact CE2-CE2 3.84Å; Y1147-F1155 HydrophobicContact CE2-CE2 3.84Å; Y1147-F1155 HydrophobicContact CE2-CZ 4.4Å; Y1147-F1155 HydrophobicContact CG-CD2 4.35Å; Y1147-F1155 HydrophobicContact CG-CE1 4.14Å; Y1147-F1155 AromaticContact CG-CE2 3.62Å; Y1147-F1155 HydrophobicContact CG-CE2 3.62Å; Y1147-F1155 AromaticContact CG-CZ 3.49Å; Y1147-F1155 HydrophobicContact CG-CZ 3.49Å; Y1147-F1155 VanDerWaalsContact CG-CZ 3.49Å; Y1147-F1155 PolarHBondContact N-O 3.41Å; Y1147-F1155 PolarHBondContact O-N 3.08Å; Y1147-I1157 HydrophobicContact CE2-CD1 4.3Å; Y1147-F1200 HydrophobicContact CD1-CE1 4.02Å; Y1147-F1200 HydrophobicContact CE1-CD1 4.33Å; Y1147-F1200 AromaticContact CE1-CE1 3.76Å; Y1147-F1200 HydrophobicContact CE1-CE1 3.76Å; Y1147-F1200 HydrophobicContact CE2-CD1 4.22Å; Y1147-F1200 HydrophobicContact CE2-CE1 4.39Å; Y1147-F1200 HydrophobicContact CG-CE1 4.44Å; Y1147-F1200 AromaticContact CZ-CE1 3.96Å
1148T88.5Confident81.7Confident26 Ų2625.8 Ų25.816%0.1614%0.143CC..EExtended strand (participates in β ladder)trans-114.9126.8170.4-50.80000107.7R1116 H1117 T1154R1116-T1148 WeakPolarHBondContact CA-O 3.46Å; R1116-T1148 WeakPolarHBondContact CB-O 3.43Å; R1116-T1148 PolarHBondContact N-O 2.83Å; H1117-T1148 PolarHBondContact N-O 3.25Å; H1117-T1148 PolarHBondContact O-N 3.09Å; T1148-T1154 HydrophobicContact CG2-CG2 4.13Å
1149L88.8Confident82.8Confident4 Ų421.6 Ų21.62%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-86.1166.1179-63.1-177.7000111.3L1113 K1114 V1115 D1151 G1152 S1153 F1155 L1192L1113-L1149 HydrophobicContact CB-CD2 4.09Å; L1113-L1149 HydrophobicContact CD2-CD1 3.95Å; K1114-L1149 WeakPolarHBondContact O-CA 3.34Å; K1114-L1149 WeakPolarHBondContact O-CD2 3.38Å; V1115-L1149 HydrophobicContact CG2-CD2 4.11Å; L1149-D1151 WeakPolarHBondContact CB-OD1 3.31Å; L1149-D1151 PolarHBondContact O-N 3.27Å; L1149-G1152 PolarHBondContact O-N 3.28Å; L1149-G1152 VanDerWaalsContact O-N 3.09Å; L1149-S1153 PolarHBondContact N-O 3.15Å; L1149-F1155 HydrophobicContact CD1-CE1 4.41Å; L1149-F1155 HydrophobicContact CD2-CE1 3.93Å; L1149-F1155 HydrophobicContact CG-CD1 4.47Å; L1149-F1155 HydrophobicContact CG-CE1 4.17Å; L1149-L1192 HydrophobicContact CD1-CD1 3.48Å; L1149-L1192 VanDerWaalsContact CD1-CD1 3.48Å; L1149-L1192 HydrophobicContact CD1-CD2 4.39Å
1150S83.9Confident83.4Confident75 Ų7521.8 Ų21.852%0.52413%0.131SC..THydrogen-bonded Turntrans-62.8-26.5-179.355.20000114.3K1114 G1152K1114-S1150 PolarHBondContact O-N 3.23Å; S1150-G1152 VanDerWaalsContact C-N 3.27Å
1151D83.3Confident83.8Confident81 Ų8120.7 Ų20.743%0.43313%0.13SC..THydrogen-bonded Turntrans-81.7-3.6176.667.9-17.1000113.3L1149 S1153L1149-D1151 WeakPolarHBondContact CB-OD1 3.31Å; L1149-D1151 PolarHBondContact O-N 3.27Å; D1151-S1153 VanDerWaalsContact CG-OG 3.23Å; D1151-S1153 VanDerWaalsContact OD1-CB 3.25Å; D1151-S1153 WeakPolarHBondContact OD1-CB 3.16Å; D1151-S1153 PolarHBondContact OD1-N 3.13Å; D1151-S1153 PolarHBondContact OD1-OG 3.38Å; D1151-S1153 PolarHBondContact OD2-OG 2.93Å
1152G84.2Confident83.7Confident25 Ų2519.7 Ų19.726%0.25813%0.128SC..SBendtrans92.7-11-177.400000114.4L1149 S1150L1149-G1152 PolarHBondContact O-N 3.28Å; L1149-G1152 VanDerWaalsContact O-N 3.09Å; S1150-G1152 VanDerWaalsContact C-N 3.27Å
1153S89.9Confident83.2Confident1 Ų121.2 Ų21.21%0.00714%0.136CC..  trans-61.2146.9173.8-56.60000110.5L1149 D1151 E1171L1149-S1153 PolarHBondContact N-O 3.15Å; D1151-S1153 VanDerWaalsContact CG-OG 3.23Å; D1151-S1153 VanDerWaalsContact OD1-CB 3.25Å; D1151-S1153 WeakPolarHBondContact OD1-CB 3.16Å; D1151-S1153 PolarHBondContact OD1-N 3.13Å; D1151-S1153 PolarHBondContact OD1-OG 3.38Å; D1151-S1153 PolarHBondContact OD2-OG 2.93Å; S1153-E1171 CarbonylContact C-O 3.57Å; S1153-E1171 VanDerWaalsContact CA-O 3.29Å; S1153-E1171 WeakPolarHBondContact CA-O 3.29Å; S1153-E1171 WeakPolarHBondContact CB-O 3.27Å
1154T90.6Very high82.7Confident13 Ų1325 Ų258%0.0815%0.151CC..EExtended strand (participates in β ladder)trans-126.6151.3-178.974.30000111.7Y1147 T1148 E1171Y1147-T1154 CarbonylContact O-C 3.59Å; Y1147-T1154 VanDerWaalsContact O-CA 3.23Å; Y1147-T1154 WeakPolarHBondContact O-CA 3.4Å; T1148-T1154 HydrophobicContact CG2-CG2 4.13Å; T1154-E1171 PolarHBondContact N-O 3.45Å; T1154-E1171 PolarHBondContact O-N 3.32Å; T1154-E1171 PolarHBondContact OG1-OE2 3.11Å
1155F91.6Very high82.4Confident0 Ų026.4 Ų26.40%016%0.156CC..EExtended strand (participates in β ladder)trans-142.9140.4164.862.6-84.5000111.3T1146 Y1147 L1149 I1157 N1169 I1170 V1196 F1200T1146-F1155 CarbonylContact C-O 3.43Å; T1146-F1155 WeakPolarHBondContact CA-O 3.46Å; Y1147-F1155 VanDerWaalsContact CB-CE1 3.49Å; Y1147-F1155 HydrophobicContact CD1-CZ 4.26Å; Y1147-F1155 AromaticContact CD2-CD2 3.77Å; Y1147-F1155 HydrophobicContact CD2-CD2 3.77Å; Y1147-F1155 HydrophobicContact CD2-CE1 4.47Å; Y1147-F1155 AromaticContact CD2-CE2 3.17Å; Y1147-F1155 HydrophobicContact CD2-CE2 3.17Å; Y1147-F1155 AromaticContact CD2-CZ 3.59Å; Y1147-F1155 HydrophobicContact CD2-CZ 3.59Å; Y1147-F1155 AromaticContact CE2-CE2 3.84Å; Y1147-F1155 HydrophobicContact CE2-CE2 3.84Å; Y1147-F1155 HydrophobicContact CE2-CZ 4.4Å; Y1147-F1155 HydrophobicContact CG-CD2 4.35Å; Y1147-F1155 HydrophobicContact CG-CE1 4.14Å; Y1147-F1155 AromaticContact CG-CE2 3.62Å; Y1147-F1155 HydrophobicContact CG-CE2 3.62Å; Y1147-F1155 AromaticContact CG-CZ 3.49Å; Y1147-F1155 HydrophobicContact CG-CZ 3.49Å; Y1147-F1155 VanDerWaalsContact CG-CZ 3.49Å; Y1147-F1155 PolarHBondContact N-O 3.41Å; Y1147-F1155 PolarHBondContact O-N 3.08Å; L1149-F1155 HydrophobicContact CD1-CE1 4.41Å; L1149-F1155 HydrophobicContact CD2-CE1 3.93Å; L1149-F1155 HydrophobicContact CG-CD1 4.47Å; L1149-F1155 HydrophobicContact CG-CE1 4.17Å; F1155-I1157 HydrophobicContact CD2-CD1 4.24Å; F1155-I1157 HydrophobicContact CD2-CG1 4.2Å; F1155-I1157 HydrophobicContact CE2-CD1 4.08Å; F1155-N1169 CarbonylContact C-O 3.53Å; F1155-N1169 WeakPolarHBondContact CA-O 3.31Å; F1155-N1169 WeakPolarHBondContact CB-O 3.28Å; F1155-I1170 HydrophobicContact CB-CB 4.3Å; F1155-I1170 HydrophobicContact CB-CG1 3.92Å; F1155-I1170 HydrophobicContact CB-CG2 4.35Å; F1155-V1196 HydrophobicContact CB-CG2 4.43Å; F1155-V1196 HydrophobicContact CD1-CG2 3.76Å; F1155-V1196 HydrophobicContact CD2-CG1 3.68Å; F1155-V1196 HydrophobicContact CD2-CG2 4.21Å; F1155-V1196 HydrophobicContact CE1-CG2 3.99Å; F1155-V1196 HydrophobicContact CE2-CG1 3.94Å; F1155-V1196 HydrophobicContact CE2-CG2 4.4Å; F1155-V1196 HydrophobicContact CG-CG1 4.09Å; F1155-V1196 HydrophobicContact CG-CG2 3.88Å; F1155-V1196 HydrophobicContact CZ-CG2 4.3Å; F1155-F1200 HydrophobicContact CE2-CB 4.47Å; F1155-F1200 AromaticContact CE2-CD1 3.9Å; F1155-F1200 HydrophobicContact CE2-CD1 3.9Å; F1155-F1200 HydrophobicContact CE2-CD2 4.32Å; F1155-F1200 HydrophobicContact CE2-CE1 4.22Å; F1155-F1200 AromaticContact CE2-CG 3.96Å; F1155-F1200 HydrophobicContact CE2-CG 3.96Å; F1155-F1200 AromaticContact CZ-CD1 3.86Å; F1155-F1200 HydrophobicContact CZ-CD1 3.86Å; F1155-F1200 AromaticContact CZ-CD2 3.92Å; F1155-F1200 HydrophobicContact CZ-CD2 3.92Å; F1155-F1200 AromaticContact CZ-CE1 3.74Å; F1155-F1200 HydrophobicContact CZ-CE1 3.74Å; F1155-F1200 AromaticContact CZ-CE2 3.82Å; F1155-F1200 HydrophobicContact CZ-CE2 3.82Å; F1155-F1200 AromaticContact CZ-CG 3.96Å; F1155-F1200 HydrophobicContact CZ-CG 3.96Å; F1155-F1200 AromaticContact CZ-CZ 3.74Å; F1155-F1200 HydrophobicContact CZ-CZ 3.74Å
1156T90.9Very high82.4Confident3 Ų326.4 Ų26.42%0.01816%0.156CC..EExtended strand (participates in β ladder)trans-119.1119.3-179.5-62.70000109.7A979 V1144 I1145 T1146 C1168 N1169A979-T1156 PolarHBondContact O-OG1 3.39Å; V1144-T1156 HydrophobicContact CG1-CG2 3.78Å; I1145-T1156 CarbonylContact O-C 3.59Å; I1145-T1156 VanDerWaalsContact O-CA 3.29Å; I1145-T1156 WeakPolarHBondContact O-CA 3.43Å; T1146-T1156 WeakPolarHBondContact CG2-OG1 3.24Å; T1146-T1156 PolarHBondContact OG1-OG1 3.17Å; T1156-C1168 CarbonylContact O-C 3.58Å; T1156-C1168 WeakPolarHBondContact O-CA 3.45Å; T1156-N1169 PolarHBondContact N-O 2.72Å; T1156-N1169 PolarHBondContact O-N 2.92Å
1157I90.8Very high82.3Confident0 Ų027.4 Ų27.40%016%0.16CC..EExtended strand (participates in β ladder)trans-101.3122.6174-58.1169.4000108.1F1094 L1097 I1145 Y1147 F1155 I1166 C1168 F1200 L1201F1094-I1157 HydrophobicContact CE1-CG2 4.2Å; F1094-I1157 HydrophobicContact CZ-CG2 4.16Å; L1097-I1157 HydrophobicContact CD1-CB 4.32Å; L1097-I1157 HydrophobicContact CD1-CD1 4.14Å; L1097-I1157 HydrophobicContact CD1-CG2 3.71Å; L1097-I1157 HydrophobicContact CD2-CD1 3.72Å; I1145-I1157 PolarHBondContact N-O 2.94Å; I1145-I1157 PolarHBondContact O-N 3.2Å; Y1147-I1157 HydrophobicContact CE2-CD1 4.3Å; F1155-I1157 HydrophobicContact CD2-CD1 4.24Å; F1155-I1157 HydrophobicContact CD2-CG1 4.2Å; F1155-I1157 HydrophobicContact CE2-CD1 4.08Å; I1157-I1166 HydrophobicContact CG2-CG2 3.61Å; I1157-C1168 HydrophobicContact CG1-CB 4.36Å; I1157-F1200 HydrophobicContact CD1-CB 4.2Å; I1157-L1201 HydrophobicContact CD1-CD2 3.9Å; I1157-L1201 HydrophobicContact CD1-CG 4.3Å; I1157-L1201 HydrophobicContact CG1-CD2 4.3Å; I1157-L1201 HydrophobicContact CG2-CD2 3.89Å
1158R87Confident82.4Confident9 Ų927.4 Ų27.43%0.03416%0.16CC..EExtended strand (participates in β ladder)trans-136.1151.1-177.863.5-178.9177.8103.2-21.5112.5E1026 N1143 V1144 I1166 K1167E1026-R1158 IonicContact OE1-CZ 3.83Å; E1026-R1158 IonicContact OE1-NE 3.85Å; E1026-R1158 IonicContact OE1-NH2 2.77Å; E1026-R1158 PolarHBondContact OE1-NH2 3.4Å; N1143-R1158 VanDerWaalsContact O-CA 3.3Å; N1143-R1158 WeakPolarHBondContact O-CA 3.08Å; V1144-R1158 HydrophobicContact CB-CB 4.43Å; V1144-R1158 HydrophobicContact CG1-CB 4.26Å; V1144-R1158 HydrophobicContact CG2-CB 4.04Å; R1158-I1166 CarbonylContact O-C 3.49Å; R1158-I1166 WeakPolarHBondContact O-CA 3.45Å; R1158-K1167 HydrophobicContact CG-CB 3.9Å; R1158-K1167 PolarHBondContact N-O 3.34Å; R1158-K1167 PolarHBondContact O-N 3.09Å
1159Q82.4Confident82.5Confident24 Ų2426.5 Ų26.511%0.11215%0.154CC..EExtended strand (participates in β ladder)trans-71.2149.2166.874.2-175.145.600110.6L1090 F1094 I1141 Y1142 N1143L1090-Q1159 HydrophobicContact CD1-CB 4.33Å; L1090-Q1159 HydrophobicContact CD2-CB 4.32Å; F1094-Q1159 HydrophobicContact CE2-CB 4.14Å; F1094-Q1159 HydrophobicContact CZ-CB 4.42Å; I1141-Q1159 PolarHBondContact O-NE2 3.44Å; Y1142-Q1159 HydrophobicContact CD1-CG 4.16Å; N1143-Q1159 HydrophobicContact CB-CB 4.46Å; N1143-Q1159 HydrophobicContact CB-CG 4.44Å; N1143-Q1159 VanDerWaalsContact N-CD 3.33Å; N1143-Q1159 PolarHBondContact ND2-OE1 2.99Å; N1143-Q1159 PolarHBondContact O-N 3.46Å
1160G72.2Confident82.6Confident7 Ų726.5 Ų26.57%0.07215%0.154CC..  trans-67.2166169.400000112R1165G1160-R1165 WeakPolarHBondContact CA-O 3.28Å; G1160-R1165 PolarHBondContact N-O 2.91Å
1161G63.8Low83.1Confident34 Ų3423.2 Ų23.235%0.35113%0.131SC..SBendtrans-77.7-76.3177.100000111.6
1162T59.9Low83.4Confident58 Ų5819.4 Ų19.436%0.35611%0.11SC..SBendtrans-95.6-42.4-176.5-25.40000112.6K669 Y771K669-T1162 HydrophobicContact CB-CG2 3.46Å; K669-T1162 VanDerWaalsContact CB-CG2 3.46Å; K669-T1162 VanDerWaalsContact O-CG2 3.23Å; K669-T1162 WeakPolarHBondContact O-CG2 3.28Å; Y771-T1162 HydrophobicContact CE1-CG2 4.46Å
1163E63.2Low83.6Confident52 Ų5220 Ų2024%0.24311%0.109CC..SBendtrans-78.2145.9-178-55.7-175118.800111.1R1165E1163-R1165 HydrophobicContact CB-CB 4.49Å; E1163-R1165 HydrophobicContact CB-CG 3.94Å; E1163-R1165 VanDerWaalsContact CD-CZ 3.47Å; E1163-R1165 PolarHBondContact O-N 2.83Å; E1163-R1165 IonicContact OE1-CZ 3.91Å; E1163-R1165 IonicContact OE1-NE 2.74Å; E1163-R1165 IonicContact OE1-NH2 3.11Å; E1163-R1165 PolarHBondContact OE1-NH2 3Å; E1163-R1165 WeakPolarHBondContact OE2-CD 3.47Å; E1163-R1165 IonicContact OE2-CZ 2.92Å; E1163-R1165 IonicContact OE2-NE 3.47Å; E1163-R1165 PolarHBondContact OE2-NE 3.42Å; E1163-R1165 IonicContact OE2-NH1 3.32Å; E1163-R1165 PolarHBondContact OE2-NH1 3.11Å; E1163-R1165 IonicContact OE2-NH2 3.49Å; E1163-R1165 PolarHBondContact OE2-NH2 3.22Å
1164K72.9Confident83.6Confident106 Ų10620.9 Ų20.946%0.46111%0.113SC..SBendtrans-70.962.3172.5-68.6-178.9-179172.90111.5S1083 Y1084 S1085S1083-K1164 VanDerWaalsContact CA-O 3.29Å; S1083-K1164 WeakPolarHBondContact CA-O 3.33Å; Y1084-K1164 HydrophobicContact CD1-CB 4.39Å; Y1084-K1164 VanDerWaalsContact CD1-O 3.29Å; Y1084-K1164 WeakPolarHBondContact CD1-O 3.43Å; Y1084-K1164 HydrophobicContact CD2-CB 4.06Å; Y1084-K1164 HydrophobicContact CD2-CG 4.46Å; Y1084-K1164 HydrophobicContact CE1-CB 4.05Å; Y1084-K1164 WeakPolarHBondContact CE1-O 3.44Å; Y1084-K1164 HydrophobicContact CE2-CB 3.68Å; Y1084-K1164 HydrophobicContact CE2-CD 4.24Å; Y1084-K1164 HydrophobicContact CE2-CG 3.82Å; Y1084-K1164 HydrophobicContact CG-CB 4.39Å; Y1084-K1164 VanDerWaalsContact CZ-CA 3.45Å; Y1084-K1164 PolarHBondContact N-O 2.99Å; S1085-K1164 PolarHBondContact O-NZ 3.42Å
1165R81.1Confident83.5Confident34 Ų3423 Ų2313%0.12813%0.127CC..EExtended strand (participates in β ladder)trans-122.5151.6-178.6-63.3-173.2-170.3177.914.5111.8F1082 Y1084 G1160 E1163F1082-R1165 CarbonylContact O-C 3.56Å; F1082-R1165 WeakPolarHBondContact O-CA 3.39Å; Y1084-R1165 VanDerWaalsContact CE1-N 3.34Å; G1160-R1165 WeakPolarHBondContact CA-O 3.28Å; G1160-R1165 PolarHBondContact N-O 2.91Å; E1163-R1165 HydrophobicContact CB-CB 4.49Å; E1163-R1165 HydrophobicContact CB-CG 3.94Å; E1163-R1165 VanDerWaalsContact CD-CZ 3.47Å; E1163-R1165 PolarHBondContact O-N 2.83Å; E1163-R1165 IonicContact OE1-CZ 3.91Å; E1163-R1165 IonicContact OE1-NE 2.74Å; E1163-R1165 IonicContact OE1-NH2 3.11Å; E1163-R1165 PolarHBondContact OE1-NH2 3Å; E1163-R1165 WeakPolarHBondContact OE2-CD 3.47Å; E1163-R1165 IonicContact OE2-CZ 2.92Å; E1163-R1165 IonicContact OE2-NE 3.47Å; E1163-R1165 PolarHBondContact OE2-NE 3.42Å; E1163-R1165 IonicContact OE2-NH1 3.32Å; E1163-R1165 PolarHBondContact OE2-NH1 3.11Å; E1163-R1165 IonicContact OE2-NH2 3.49Å; E1163-R1165 PolarHBondContact OE2-NH2 3.22Å
1166I87.6Confident83.3Confident0 Ų024.9 Ų24.90%014%0.14CC..EExtended strand (participates in β ladder)trans-107.3125.7162.9-71168.6000106.4F1081 F1082 Y1084 L1090 I1093 F1094 I1157 R1158 L1201 L1208F1081-I1166 WeakPolarHBondContact CA-O 3.45Å; F1082-I1166 HydrophobicContact CB-CB 4.38Å; F1082-I1166 PolarHBondContact N-O 3.2Å; F1082-I1166 PolarHBondContact O-N 3.43Å; Y1084-I1166 HydrophobicContact CD1-CG1 4.24Å; Y1084-I1166 HydrophobicContact CE1-CG1 4.42Å; L1090-I1166 HydrophobicContact CD1-CD1 4.07Å; L1090-I1166 HydrophobicContact CD1-CG1 3.96Å; I1093-I1166 HydrophobicContact CB-CD1 4.43Å; I1093-I1166 HydrophobicContact CD1-CD1 3.89Å; I1093-I1166 HydrophobicContact CG2-CD1 3.79Å; F1094-I1166 HydrophobicContact CE2-CD1 4.32Å; F1094-I1166 HydrophobicContact CE2-CG1 4.24Å; I1157-I1166 HydrophobicContact CG2-CG2 3.61Å; R1158-I1166 CarbonylContact O-C 3.49Å; R1158-I1166 WeakPolarHBondContact O-CA 3.45Å; I1166-L1201 HydrophobicContact CG2-CD2 4.19Å; I1166-L1208 HydrophobicContact CD1-CD1 4.5Å; I1166-L1208 HydrophobicContact CD1-CD2 3.96Å
1167K86.4Confident83.1Confident23 Ų2331.7 Ų31.710%0.117%0.171CC..EExtended strand (participates in β ladder)trans-97.3133.1170.5-56.9-159.1-172.5-170.50108.6E899 F1081 R1158E899-K1167 IonicContact OE1-NZ 3.54Å; E899-K1167 IonicContact OE2-NZ 2.7Å; E899-K1167 PolarHBondContact OE2-NZ 3.17Å; F1081-K1167 HydrophobicContact CD1-CD 3.82Å; F1081-K1167 HydrophobicContact CD1-CG 3.7Å; F1081-K1167 HydrophobicContact CE1-CD 3.39Å; F1081-K1167 VanDerWaalsContact CE1-CE 3.4Å; F1081-K1167 HydrophobicContact CE1-CG 3.84Å; F1081-K1167 HydrophobicContact CZ-CD 4.32Å; R1158-K1167 HydrophobicContact CG-CB 3.9Å; R1158-K1167 PolarHBondContact N-O 3.34Å; R1158-K1167 PolarHBondContact O-N 3.09Å
1168C90.8Very high82.7Confident0 Ų038.6 Ų38.60%020%0.201CC..EExtended strand (participates in β ladder)trans-122.5109.3174.3-176.30000108.8T1079 T1080 T1156 I1157 L1201T1079-C1168 WeakPolarHBondContact CA-O 3.39Å; T1080-C1168 HydrophobicContact CG2-CB 3.73Å; T1080-C1168 PolarHBondContact N-O 3.06Å; T1080-C1168 PolarHBondContact O-N 3.24Å; T1156-C1168 CarbonylContact O-C 3.58Å; T1156-C1168 WeakPolarHBondContact O-CA 3.45Å; I1157-C1168 HydrophobicContact CG1-CB 4.36Å; C1168-L1201 HydrophobicContact CB-CD1 3.98Å
1169N90.9Very high82.6Confident8 Ų838.4 Ų38.44%0.04320%0.201CC..EExtended strand (participates in β ladder)trans-94.4128.8177-56.1-17.4000107.7G980 E1026 C1078 T1079 F1155 T1156G980-N1169 WeakPolarHBondContact CA-ND2 3.35Å; G980-N1169 WeakPolarHBondContact O-CB 3.5Å; G980-N1169 PolarHBondContact O-ND2 3.47Å; E1026-N1169 VanDerWaalsContact CD-ND2 3.29Å; E1026-N1169 PolarHBondContact OE1-ND2 2.86Å; C1078-N1169 CarbonylContact O-C 3.54Å; T1079-N1169 WeakPolarHBondContact CG2-OD1 3.09Å; T1079-N1169 PolarHBondContact OG1-OD1 3.38Å; F1155-N1169 CarbonylContact C-O 3.53Å; F1155-N1169 WeakPolarHBondContact CA-O 3.31Å; F1155-N1169 WeakPolarHBondContact CB-O 3.28Å; T1156-N1169 PolarHBondContact N-O 2.72Å; T1156-N1169 PolarHBondContact O-N 2.92Å
1170I92.4Very high82.3Confident3 Ų346 Ų462%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-126.4133.5-176.3-53.8179.6000107.3G1077 C1078 F1155 L1189 L1192 K1193 V1196G1077-I1170 CarbonylContact C-O 3.59Å; G1077-I1170 WeakPolarHBondContact CA-O 3.31Å; C1078-I1170 PolarHBondContact N-O 3.39Å; C1078-I1170 PolarHBondContact O-N 3.34Å; F1155-I1170 HydrophobicContact CB-CB 4.3Å; F1155-I1170 HydrophobicContact CB-CG1 3.92Å; F1155-I1170 HydrophobicContact CB-CG2 4.35Å; I1170-L1189 HydrophobicContact CB-CD1 4.44Å; I1170-L1189 HydrophobicContact CG2-CD1 4Å; I1170-L1192 HydrophobicContact CG2-CD2 3.65Å; I1170-L1192 HydrophobicContact CG2-CG 3.75Å; I1170-K1193 HydrophobicContact CD1-CB 3.91Å; I1170-K1193 HydrophobicContact CD1-CG 4.07Å; I1170-V1196 HydrophobicContact CD1-CB 3.88Å; I1170-V1196 HydrophobicContact CD1-CG1 3.99Å; I1170-V1196 HydrophobicContact CD1-CG2 4.2Å
1171E92.8Very high82.8Confident7 Ų749.7 Ų49.73%0.03325%0.252CS..EExtended strand (participates in β ladder)trans-135.7130.5-177.6-177.8-174.3-147.800109.9S982 K983 H1075 L1076 S1153 T1154 V1173S982-E1171 VanDerWaalsContact CA-OE1 3.3Å; S982-E1171 WeakPolarHBondContact CA-OE1 3.24Å; S982-E1171 VanDerWaalsContact CB-OE1 3.3Å; S982-E1171 WeakPolarHBondContact CB-OE1 3.49Å; S982-E1171 PolarHBondContact OG-OE1 2.88Å; K983-E1171 WeakPolarHBondContact CG-OE2 3.35Å; K983-E1171 PolarHBondContact N-OE1 2.99Å; K983-E1171 PolarHBondContact N-OE2 3.35Å; H1075-E1171 WeakPolarHBondContact CB-OE1 3.09Å; H1075-E1171 IonicContact CG-OE1 3.56Å; H1075-E1171 IonicContact ND1-OE1 3.61Å; H1075-E1171 PolarHBondContact ND1-OE1 3.29Å; L1076-E1171 CarbonylContact O-C 3.55Å; L1076-E1171 WeakPolarHBondContact O-CA 3.4Å; S1153-E1171 CarbonylContact C-O 3.57Å; S1153-E1171 VanDerWaalsContact CA-O 3.29Å; S1153-E1171 WeakPolarHBondContact CA-O 3.29Å; S1153-E1171 WeakPolarHBondContact CB-O 3.27Å; T1154-E1171 PolarHBondContact N-O 3.45Å; T1154-E1171 PolarHBondContact O-N 3.32Å; T1154-E1171 PolarHBondContact OG1-OE2 3.11Å; E1171-V1173 HydrophobicContact CG-CG2 4.15Å
1172I91.2Very high83.3Confident1 Ų149.2 Ų49.21%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-96.4137.9163.560.4166.1000109.2L1076 L1174 A1185 Q1188 L1189 L1192L1076-I1172 HydrophobicContact CB-CD1 4.17Å; L1076-I1172 HydrophobicContact CB-CG1 3.79Å; L1076-I1172 HydrophobicContact CD1-CD1 4.22Å; L1076-I1172 PolarHBondContact N-O 2.91Å; L1076-I1172 VanDerWaalsContact N-O 3.1Å; L1076-I1172 WeakPolarHBondContact O-CG1 3.48Å; L1076-I1172 PolarHBondContact O-N 3.09Å; I1172-L1174 HydrophobicContact CD1-CD1 4.38Å; I1172-A1185 HydrophobicContact CD1-CB 3.87Å; I1172-A1185 WeakPolarHBondContact CD1-O 3.26Å; I1172-Q1188 HydrophobicContact CD1-CB 4.28Å; I1172-Q1188 HydrophobicContact CG2-CG 4.37Å; I1172-L1189 HydrophobicContact CD1-CB 4.06Å; I1172-L1189 HydrophobicContact CG1-CB 4.23Å; I1172-L1189 HydrophobicContact CG1-CD1 4.47Å; I1172-L1189 HydrophobicContact CG2-CB 4.33Å; I1172-L1189 HydrophobicContact CG2-CD1 4.13Å; I1172-L1192 HydrophobicContact CG2-CD2 3.75Å
1173V88.4Confident84.3Confident38 Ų3851.7 Ų51.723%0.2325%0.25CC..EExtended strand (participates in β ladder)trans-116.9114.7178-177.10000107.9A1074 E1171A1074-V1173 WeakPolarHBondContact O-CA 3.5Å; E1171-V1173 HydrophobicContact CG-CG2 4.15Å
1174L88.5Confident85.2Confident18 Ų1850.9 Ų50.99%0.09425%0.252CS..EExtended strand (participates in β ladder)trans-114.1136.5177.8-60178.4000109.5G1073 A1074 I1172 K1178 S1179 A1185G1073-L1174 CarbonylContact C-O 3.55Å; G1073-L1174 WeakPolarHBondContact CA-O 3.47Å; A1074-L1174 HydrophobicContact CB-CB 4.28Å; A1074-L1174 PolarHBondContact N-O 3.41Å; A1074-L1174 PolarHBondContact O-N 3.5Å; I1172-L1174 HydrophobicContact CD1-CD1 4.38Å; L1174-K1178 HydrophobicContact CB-CB 4.33Å; L1174-S1179 PolarHBondContact O-OG 3.28Å; L1174-A1185 HydrophobicContact CD1-CB 3.39Å
1175P88.3Confident85.7Confident58 Ų5846 Ų4638%0.37723%0.231SC..  trans-69.8161.9175.134.5-38.7000110.6E1177 K1178 S1179P1175-E1177 VanDerWaalsContact CB-OE2 3.27Å; P1175-E1177 WeakPolarHBondContact CB-OE2 3.36Å; P1175-E1177 WeakPolarHBondContact CG-OE2 3.29Å; P1175-E1177 PolarHBondContact O-N 3.01Å; P1175-K1178 HydrophobicContact CG-CB 4.34Å; P1175-K1178 HydrophobicContact CG-CD 4.27Å; P1175-K1178 HydrophobicContact CG-CG 4.23Å; P1175-K1178 PolarHBondContact O-N 3.22Å; P1175-S1179 PolarHBondContact O-N 3.21Å; P1175-S1179 PolarHBondContact O-OG 3.19Å
1176P87.4Confident85.9Confident40 Ų4049 Ų4926%0.2624%0.242SC..G310 helixtrans-46.4-40.1-178.2-31.935.7000114.9K1178 S1179P1176-K1178 VanDerWaalsContact C-N 3.25Å; P1176-K1178 PolarHBondContact O-N 3.11Å; P1176-S1179 PolarHBondContact O-N 3.08Å
1177E86.1Confident85.8Confident146 Ų14655.9 Ų55.968%0.68227%0.269SS*.G310 helixtrans-68.1-25.8-175.3-45.178.5-163.500112.8P1175P1175-E1177 VanDerWaalsContact CB-OE2 3.27Å; P1175-E1177 WeakPolarHBondContact CB-OE2 3.36Å; P1175-E1177 WeakPolarHBondContact CG-OE2 3.29Å; P1175-E1177 PolarHBondContact O-N 3.01Å
1178K83.8Confident86Confident145 Ų14558.3 Ų58.363%0.6328%0.28SS*.G310 helixtrans-99.7-2178.7-64.5-173-179.8-179.20113.4L1174 P1175 P1176 K1180L1174-K1178 HydrophobicContact CB-CB 4.33Å; P1175-K1178 HydrophobicContact CG-CB 4.34Å; P1175-K1178 HydrophobicContact CG-CD 4.27Å; P1175-K1178 HydrophobicContact CG-CG 4.23Å; P1175-K1178 PolarHBondContact O-N 3.22Å; P1176-K1178 VanDerWaalsContact C-N 3.25Å; P1176-K1178 PolarHBondContact O-N 3.11Å; K1178-K1180 VanDerWaalsContact C-N 3.34Å
1179S83.9Confident86Confident5 Ų558.8 Ų58.84%0.03528%0.283CS..THydrogen-bonded Turntrans-87.5-2.2-171.9-61.80000113.8Y1069 A1074 L1174 P1175 P1176Y1069-S1179 WeakPolarHBondContact O-CB 3.39Å; A1074-S1179 WeakPolarHBondContact CB-OG 3.37Å; A1074-S1179 PolarHBondContact N-OG 3.31Å; L1174-S1179 PolarHBondContact O-OG 3.28Å; P1175-S1179 PolarHBondContact O-N 3.21Å; P1175-S1179 PolarHBondContact O-OG 3.19Å; P1176-S1179 PolarHBondContact O-N 3.08Å
1180K77.2Confident86Confident184 Ų18463 Ų6380%0.830%0.302SS*.THydrogen-bonded Turntrans-72.9-28.9-178.8-63.4-172.7179.7-1760114.2K1178K1178-K1180 VanDerWaalsContact C-N 3.34Å
1181D81.4Confident85.9Confident83 Ų8368.1 Ų68.144%0.44433%0.33SS..  trans-102.281.5176.3-172.6-10.8000110.3Q1183 A1184 A1185D1181-Q1183 PolarHBondContact O-N 2.89Å; D1181-Q1183 PolarHBondContact OD1-N 3.15Å; D1181-A1184 HydrophobicContact CB-CB 4.03Å; D1181-A1184 PolarHBondContact O-N 3.23Å; D1181-A1184 PolarHBondContact OD1-N 3.29Å; D1181-A1184 VanDerWaalsContact OD2-CB 3.27Å; D1181-A1184 WeakPolarHBondContact OD2-CB 3.19Å; D1181-A1185 PolarHBondContact O-N 3.02Å; D1181-A1185 VanDerWaalsContact O-N 3.12Å
1182V75.2Confident85.8Confident24 Ų2468.4 Ų68.415%0.14533%0.331CS..Hα-helixtrans-60.1-30.4178.7179.80000111.5E1066 L1076 A1185 R1186E1066-V1182 HydrophobicContact CG-CG2 4.45Å; L1076-V1182 HydrophobicContact CD1-CG1 4.37Å; V1182-A1185 PolarHBondContact O-N 2.75Å; V1182-R1186 WeakPolarHBondContact O-CG 3.42Å; V1182-R1186 PolarHBondContact O-N 2.6Å
1183Q80.1Confident85.9Confident110 Ų11070 Ų7051%0.51434%0.338SS..Hα-helixtrans-72.8-40.5180-67.7-66.1-12.700112.1D1181 A1185 R1186 R1187D1181-Q1183 PolarHBondContact O-N 2.89Å; D1181-Q1183 PolarHBondContact OD1-N 3.15Å; Q1183-A1185 VanDerWaalsContact C-N 3.3Å; Q1183-R1186 PolarHBondContact O-N 2.63Å; Q1183-R1187 PolarHBondContact O-N 2.91Å; Q1183-R1187 VanDerWaalsContact O-N 3.09Å
1184A81.6Confident86Confident36 Ų3671.1 Ų71.130%0.29835%0.351SS..Hα-helixtrans-62.1-41.4171.100000111.5D1181 R1187 Q1188D1181-A1184 HydrophobicContact CB-CB 4.03Å; D1181-A1184 PolarHBondContact O-N 3.23Å; D1181-A1184 PolarHBondContact OD1-N 3.29Å; D1181-A1184 VanDerWaalsContact OD2-CB 3.27Å; D1181-A1184 WeakPolarHBondContact OD2-CB 3.19Å; A1184-R1187 PolarHBondContact O-N 3.14Å; A1184-Q1188 PolarHBondContact O-N 3.27Å
1185A84.7Confident86.1Confident2 Ų271.7 Ų71.72%0.01735%0.354CS..Hα-helixtrans-62.2-44.8176.100000111.6L1076 I1172 L1174 D1181 V1182 Q1183 R1187 Q1188 L1189L1076-A1185 HydrophobicContact CD1-CB 3.4Å; L1076-A1185 VanDerWaalsContact CD1-CB 3.4Å; I1172-A1185 HydrophobicContact CD1-CB 3.87Å; I1172-A1185 WeakPolarHBondContact CD1-O 3.26Å; L1174-A1185 HydrophobicContact CD1-CB 3.39Å; D1181-A1185 PolarHBondContact O-N 3.02Å; D1181-A1185 VanDerWaalsContact O-N 3.12Å; V1182-A1185 PolarHBondContact O-N 2.75Å; Q1183-A1185 VanDerWaalsContact C-N 3.3Å; A1185-R1187 VanDerWaalsContact C-N 3.32Å; A1185-R1187 PolarHBondContact O-N 3.39Å; A1185-Q1188 WeakPolarHBondContact O-CA 3.33Å; A1185-Q1188 WeakPolarHBondContact O-CB 3.41Å; A1185-Q1188 PolarHBondContact O-N 2.8Å; A1185-L1189 PolarHBondContact O-N 3.17Å
1186R84.4Confident86.1Confident98 Ų9869 Ų6937%0.3734%0.336SS..Hα-helixtrans-58.1-40.2173.6-74.8177.3-179-168.30.8112.9L1076 V1182 Q1183 Q1188 L1189 E1190L1076-R1186 HydrophobicContact CD1-CG 4.34Å; V1182-R1186 WeakPolarHBondContact O-CG 3.42Å; V1182-R1186 PolarHBondContact O-N 2.6Å; Q1183-R1186 PolarHBondContact O-N 2.63Å; R1186-Q1188 VanDerWaalsContact C-N 3.35Å; R1186-L1189 PolarHBondContact O-N 3.49Å; R1186-E1190 PolarHBondContact O-N 3.13Å
1187R87.2Confident86.2Confident145 Ų14567.9 Ų67.955%0.54733%0.328SS..Hα-helixtrans-63.3-39.6173.6-71.3-173.7-67.5-93.41.7112.2Q1183 A1184 A1185 L1189 E1190 N1191Q1183-R1187 PolarHBondContact O-N 2.91Å; Q1183-R1187 VanDerWaalsContact O-N 3.09Å; A1184-R1187 PolarHBondContact O-N 3.14Å; A1185-R1187 VanDerWaalsContact C-N 3.32Å; A1185-R1187 PolarHBondContact O-N 3.39Å; R1187-L1189 VanDerWaalsContact C-N 3.34Å; R1187-E1190 PolarHBondContact O-N 3.34Å; R1187-N1191 VanDerWaalsContact O-CG 3.3Å; R1187-N1191 PolarHBondContact O-N 3.04Å
1188Q88.8Confident86.2Confident73 Ų7367.1 Ų67.134%0.34132%0.322SS..Hα-helixtrans-63.6-40.3175.3-175.4-179.6-9.300111.6I1172 A1184 A1185 R1186 N1191 L1192I1172-Q1188 HydrophobicContact CD1-CB 4.28Å; I1172-Q1188 HydrophobicContact CG2-CG 4.37Å; A1184-Q1188 PolarHBondContact O-N 3.27Å; A1185-Q1188 WeakPolarHBondContact O-CA 3.33Å; A1185-Q1188 WeakPolarHBondContact O-CB 3.41Å; A1185-Q1188 PolarHBondContact O-N 2.8Å; R1186-Q1188 VanDerWaalsContact C-N 3.35Å; Q1188-N1191 PolarHBondContact O-N 3.42Å; Q1188-L1192 WeakPolarHBondContact O-CB 3.36Å; Q1188-L1192 PolarHBondContact O-N 3.38Å
1189L90.7Very high86.3Confident11 Ų1161 Ų616%0.05830%0.297CS..Hα-helixtrans-62.5-46.1176.2-179.862.2000112.1L1076 C1078 I1170 I1172 A1185 R1186 R1187 N1191 L1192 K1193L1076-L1189 HydrophobicContact CB-CD2 4.29Å; C1078-L1189 HydrophobicContact CB-CD2 4.01Å; C1078-L1189 HydrophobicContact CB-CG 4.4Å; I1170-L1189 HydrophobicContact CB-CD1 4.44Å; I1170-L1189 HydrophobicContact CG2-CD1 4Å; I1172-L1189 HydrophobicContact CD1-CB 4.06Å; I1172-L1189 HydrophobicContact CG1-CB 4.23Å; I1172-L1189 HydrophobicContact CG1-CD1 4.47Å; I1172-L1189 HydrophobicContact CG2-CB 4.33Å; I1172-L1189 HydrophobicContact CG2-CD1 4.13Å; A1185-L1189 PolarHBondContact O-N 3.17Å; R1186-L1189 PolarHBondContact O-N 3.49Å; R1187-L1189 VanDerWaalsContact C-N 3.34Å; L1189-N1191 PolarHBondContact O-N 2.86Å; L1189-L1192 PolarHBondContact O-N 3.05Å; L1189-K1193 WeakPolarHBondContact O-CB 3.21Å; L1189-K1193 PolarHBondContact O-N 3.23Å
1190E91Very high86.4Confident97 Ų9761 Ų6145%0.45330%0.296SS..Hα-helixtrans-64.5-39.3177.4-73.5-56.1125.500112.5R1186 R1187 K1193 A1194R1186-E1190 PolarHBondContact O-N 3.13Å; R1187-E1190 PolarHBondContact O-N 3.34Å; E1190-K1193 PolarHBondContact O-N 3.47Å; E1190-K1193 IonicContact OE1-NZ 2.75Å; E1190-K1193 IonicContact OE2-NZ 3.75Å; E1190-A1194 PolarHBondContact O-N 3.46Å
1191N91.1Very high86.8Confident110 Ų11052.2 Ų52.259%0.58826%0.258SS*.Hα-helixtrans-62.5-45.2173.6-73-14.3000111.4R1187 Q1188 L1189 K1193 A1194 L1195R1187-N1191 VanDerWaalsContact O-CG 3.3Å; R1187-N1191 PolarHBondContact O-N 3.04Å; Q1188-N1191 PolarHBondContact O-N 3.42Å; L1189-N1191 PolarHBondContact O-N 2.86Å; N1191-K1193 VanDerWaalsContact C-N 3.34Å; N1191-K1193 PolarHBondContact O-N 3.34Å; N1191-A1194 PolarHBondContact O-N 2.99Å; N1191-L1195 WeakPolarHBondContact O-CG 3.38Å; N1191-L1195 PolarHBondContact O-N 3.05Å; N1191-L1195 VanDerWaalsContact O-N 3.09Å
1192L91.6Very high86.9Confident12 Ų1251.1 Ų51.16%0.06325%0.249CC..Hα-helixtrans-62.5-42.4176.8176.658.4000111.4L1113 L1149 I1170 I1172 Q1188 L1189 A1194 L1195 V1196L1113-L1192 HydrophobicContact CD1-CD1 4.07Å; L1113-L1192 HydrophobicContact CD2-CD1 3.61Å; L1149-L1192 HydrophobicContact CD1-CD1 3.48Å; L1149-L1192 VanDerWaalsContact CD1-CD1 3.48Å; L1149-L1192 HydrophobicContact CD1-CD2 4.39Å; I1170-L1192 HydrophobicContact CG2-CD2 3.65Å; I1170-L1192 HydrophobicContact CG2-CG 3.75Å; I1172-L1192 HydrophobicContact CG2-CD2 3.75Å; Q1188-L1192 WeakPolarHBondContact O-CB 3.36Å; Q1188-L1192 PolarHBondContact O-N 3.38Å; L1189-L1192 PolarHBondContact O-N 3.05Å; L1192-A1194 PolarHBondContact O-N 2.84Å; L1192-L1195 PolarHBondContact O-N 3.43Å; L1192-V1196 HydrophobicContact CD1-CG2 3.94Å; L1192-V1196 HydrophobicContact CG-CG2 4.31Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.38Å; L1192-V1196 PolarHBondContact O-N 3.07Å
1193K92.1Very high87.3Confident36 Ų3651.2 Ų51.216%0.15725%0.25CS..Hα-helixtrans-56.7-49174.8175.2-174.7173.9-173.80111.8I1170 L1189 E1190 N1191 L1195 V1196 I1197I1170-K1193 HydrophobicContact CD1-CB 3.91Å; I1170-K1193 HydrophobicContact CD1-CG 4.07Å; L1189-K1193 WeakPolarHBondContact O-CB 3.21Å; L1189-K1193 PolarHBondContact O-N 3.23Å; E1190-K1193 PolarHBondContact O-N 3.47Å; E1190-K1193 IonicContact OE1-NZ 2.75Å; E1190-K1193 IonicContact OE2-NZ 3.75Å; N1191-K1193 VanDerWaalsContact C-N 3.34Å; N1191-K1193 PolarHBondContact O-N 3.34Å; K1193-L1195 VanDerWaalsContact C-N 3.31Å; K1193-L1195 PolarHBondContact O-N 3.11Å; K1193-V1196 PolarHBondContact O-N 3.49Å; K1193-I1197 HydrophobicContact CG-CD1 3.83Å; K1193-I1197 VanDerWaalsContact O-CG1 3.24Å; K1193-I1197 WeakPolarHBondContact O-CG1 3.28Å; K1193-I1197 PolarHBondContact O-N 3.06Å
1194A90.3Very high87.4Confident60 Ų6053.3 Ų53.350%0.49627%0.265SS..Hα-helixtrans-58.4-43.1177.200000112E1190 N1191 L1192 K1198E1190-A1194 PolarHBondContact O-N 3.46Å; N1191-A1194 PolarHBondContact O-N 2.99Å; L1192-A1194 PolarHBondContact O-N 2.84Å; A1194-K1198 VanDerWaalsContact O-CB 3.25Å; A1194-K1198 WeakPolarHBondContact O-CB 3.2Å; A1194-K1198 PolarHBondContact O-N 3.26Å
1195L90.4Very high87.4Confident31 Ų3158 Ų5816%0.16228%0.281CS..Hα-helixtrans-66.6-44.8177.8-69.6174.5000112.8E1112 L1113 N1191 L1192 K1193 I1197 K1198 D1199E1112-L1195 HydrophobicContact CB-CD1 4.17Å; E1112-L1195 HydrophobicContact CB-CD2 4.07Å; E1112-L1195 HydrophobicContact CG-CD2 4.3Å; L1113-L1195 HydrophobicContact CD1-CB 3.88Å; L1113-L1195 HydrophobicContact CD2-CB 4.03Å; L1113-L1195 HydrophobicContact CD2-CD1 3.73Å; L1113-L1195 HydrophobicContact CG-CB 3.96Å; L1113-L1195 HydrophobicContact CG-CD1 4.34Å; N1191-L1195 WeakPolarHBondContact O-CG 3.38Å; N1191-L1195 PolarHBondContact O-N 3.05Å; N1191-L1195 VanDerWaalsContact O-N 3.09Å; L1192-L1195 PolarHBondContact O-N 3.43Å; K1193-L1195 VanDerWaalsContact C-N 3.31Å; K1193-L1195 PolarHBondContact O-N 3.11Å; L1195-I1197 VanDerWaalsContact C-N 3.35Å; L1195-I1197 PolarHBondContact O-N 3.48Å; L1195-K1198 PolarHBondContact O-N 3.4Å; L1195-D1199 VanDerWaalsContact O-CB 3.31Å; L1195-D1199 WeakPolarHBondContact O-CB 3.36Å; L1195-D1199 PolarHBondContact O-N 3.35Å
1196V89.4Confident87.2Confident0 Ų058.4 Ų58.40%028%0.283CS..Hα-helixtrans-61.3-44.3177.5171.10000110.8L1113 F1155 I1170 L1192 K1193 F1200 L1201L1113-V1196 HydrophobicContact CD1-CG2 3.79Å; F1155-V1196 HydrophobicContact CB-CG2 4.43Å; F1155-V1196 HydrophobicContact CD1-CG2 3.76Å; F1155-V1196 HydrophobicContact CD2-CG1 3.68Å; F1155-V1196 HydrophobicContact CD2-CG2 4.21Å; F1155-V1196 HydrophobicContact CE1-CG2 3.99Å; F1155-V1196 HydrophobicContact CE2-CG1 3.94Å; F1155-V1196 HydrophobicContact CE2-CG2 4.4Å; F1155-V1196 HydrophobicContact CG-CG1 4.09Å; F1155-V1196 HydrophobicContact CG-CG2 3.88Å; F1155-V1196 HydrophobicContact CZ-CG2 4.3Å; I1170-V1196 HydrophobicContact CD1-CB 3.88Å; I1170-V1196 HydrophobicContact CD1-CG1 3.99Å; I1170-V1196 HydrophobicContact CD1-CG2 4.2Å; L1192-V1196 HydrophobicContact CD1-CG2 3.94Å; L1192-V1196 HydrophobicContact CG-CG2 4.31Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.38Å; L1192-V1196 PolarHBondContact O-N 3.07Å; K1193-V1196 PolarHBondContact O-N 3.49Å; V1196-F1200 WeakPolarHBondContact O-CA 3.29Å; V1196-F1200 VanDerWaalsContact O-CB 3.31Å; V1196-F1200 WeakPolarHBondContact O-CB 3.42Å; V1196-F1200 PolarHBondContact O-N 3.05Å; V1196-L1201 PolarHBondContact O-N 2.64Å
1197I89.1Confident87Confident18 Ų1862.3 Ų62.39%0.09230%0.298CS..Iπ-helixtrans-62.8-47.6178.4-66170.8000110.5T1080 F1082 K1193 L1195 L1201 K1202 P1203 M1210T1080-I1197 HydrophobicContact CG2-CD1 4.29Å; T1080-I1197 HydrophobicContact CG2-CG1 4.46Å; F1082-I1197 HydrophobicContact CE1-CG2 4.25Å; F1082-I1197 HydrophobicContact CE2-CG1 4.36Å; F1082-I1197 HydrophobicContact CZ-CB 4.45Å; F1082-I1197 HydrophobicContact CZ-CD1 3.99Å; F1082-I1197 HydrophobicContact CZ-CG1 3.82Å; F1082-I1197 HydrophobicContact CZ-CG2 3.89Å; K1193-I1197 HydrophobicContact CG-CD1 3.83Å; K1193-I1197 VanDerWaalsContact O-CG1 3.24Å; K1193-I1197 WeakPolarHBondContact O-CG1 3.28Å; K1193-I1197 PolarHBondContact O-N 3.06Å; L1195-I1197 VanDerWaalsContact C-N 3.35Å; L1195-I1197 PolarHBondContact O-N 3.48Å; I1197-L1201 HydrophobicContact CG1-CD1 4.37Å; I1197-L1201 PolarHBondContact O-N 3.19Å; I1197-K1202 PolarHBondContact O-N 2.61Å; I1197-P1203 HydrophobicContact CG2-CG 4.03Å; I1197-P1203 WeakPolarHBondContact O-CD 3.4Å; I1197-M1210 HydrophobicContact CD1-CE 4Å; I1197-M1210 HydrophobicContact CG2-CE 4.11Å
1198K87Confident86.8Confident129 Ų12956 Ų5656%0.56128%0.275SS*.Iπ-helixtrans-65.3-48.1-179.1-179.8-170.3169.2-169.20112.8A1194 L1195 K1202A1194-K1198 VanDerWaalsContact O-CB 3.25Å; A1194-K1198 WeakPolarHBondContact O-CB 3.2Å; A1194-K1198 PolarHBondContact O-N 3.26Å; L1195-K1198 PolarHBondContact O-N 3.4Å; K1198-K1202 WeakPolarHBondContact O-CG 3.46Å
1199D84.4Confident86.3Confident17 Ų1757.1 Ų57.19%0.09129%0.286CS..Iπ-helixtrans-93.5-28.8-166.5-65.6-22.2000113.1R1110 G1111 E1112 L1195 K1202R1110-D1199 PolarHBondContact NE-O 2.63Å; G1111-D1199 WeakPolarHBondContact CA-OD2 3.35Å; E1112-D1199 PolarHBondContact N-OD2 2.93Å; L1195-D1199 VanDerWaalsContact O-CB 3.31Å; L1195-D1199 WeakPolarHBondContact O-CB 3.36Å; L1195-D1199 PolarHBondContact O-N 3.35Å; D1199-K1202 WeakPolarHBondContact O-CE 3.49Å
1200F85.8Confident85.6Confident4 Ų460.3 Ų60.32%0.01830%0.302CS..Iπ-helixtrans-104.4-55.9-178.5-72.2-103.2000113.2L1097 R1110 L1113 V1115 Y1147 F1155 I1157 V1196L1097-F1200 HydrophobicContact CD2-CB 4.24Å; R1110-F1200 HydrophobicContact CB-CE2 4.21Å; R1110-F1200 HydrophobicContact CB-CZ 4.07Å; L1113-F1200 HydrophobicContact CB-CE2 4.35Å; L1113-F1200 HydrophobicContact CD1-CD2 4.32Å; L1113-F1200 HydrophobicContact CD1-CE2 3.97Å; V1115-F1200 HydrophobicContact CG2-CE1 4.31Å; V1115-F1200 HydrophobicContact CG2-CZ 3.69Å; Y1147-F1200 HydrophobicContact CD1-CE1 4.02Å; Y1147-F1200 HydrophobicContact CE1-CD1 4.33Å; Y1147-F1200 AromaticContact CE1-CE1 3.76Å; Y1147-F1200 HydrophobicContact CE1-CE1 3.76Å; Y1147-F1200 HydrophobicContact CE2-CD1 4.22Å; Y1147-F1200 HydrophobicContact CE2-CE1 4.39Å; Y1147-F1200 HydrophobicContact CG-CE1 4.44Å; Y1147-F1200 AromaticContact CZ-CE1 3.96Å; F1155-F1200 HydrophobicContact CE2-CB 4.47Å; F1155-F1200 AromaticContact CE2-CD1 3.9Å; F1155-F1200 HydrophobicContact CE2-CD1 3.9Å; F1155-F1200 HydrophobicContact CE2-CD2 4.32Å; F1155-F1200 HydrophobicContact CE2-CE1 4.22Å; F1155-F1200 AromaticContact CE2-CG 3.96Å; F1155-F1200 HydrophobicContact CE2-CG 3.96Å; F1155-F1200 AromaticContact CZ-CD1 3.86Å; F1155-F1200 HydrophobicContact CZ-CD1 3.86Å; F1155-F1200 AromaticContact CZ-CD2 3.92Å; F1155-F1200 HydrophobicContact CZ-CD2 3.92Å; F1155-F1200 AromaticContact CZ-CE1 3.74Å; F1155-F1200 HydrophobicContact CZ-CE1 3.74Å; F1155-F1200 AromaticContact CZ-CE2 3.82Å; F1155-F1200 HydrophobicContact CZ-CE2 3.82Å; F1155-F1200 AromaticContact CZ-CG 3.96Å; F1155-F1200 HydrophobicContact CZ-CG 3.96Å; F1155-F1200 AromaticContact CZ-CZ 3.74Å; F1155-F1200 HydrophobicContact CZ-CZ 3.74Å; I1157-F1200 HydrophobicContact CD1-CB 4.2Å; V1196-F1200 WeakPolarHBondContact O-CA 3.29Å; V1196-F1200 VanDerWaalsContact O-CB 3.31Å; V1196-F1200 WeakPolarHBondContact O-CB 3.42Å; V1196-F1200 PolarHBondContact O-N 3.05Å
1201L86Confident84.4Confident0 Ų057.5 Ų57.50%029%0.291CS..Iπ-helixtrans-77.4-31.8-175.2-68.8174.1000113.2F1082 I1157 I1166 C1168 V1196 I1197 N1206 L1208F1082-L1201 HydrophobicContact CD2-CD1 3.66Å; F1082-L1201 HydrophobicContact CE2-CD1 3.19Å; F1082-L1201 HydrophobicContact CZ-CD1 3.73Å; I1157-L1201 HydrophobicContact CD1-CD2 3.9Å; I1157-L1201 HydrophobicContact CD1-CG 4.3Å; I1157-L1201 HydrophobicContact CG1-CD2 4.3Å; I1157-L1201 HydrophobicContact CG2-CD2 3.89Å; I1166-L1201 HydrophobicContact CG2-CD2 4.19Å; C1168-L1201 HydrophobicContact CB-CD1 3.98Å; V1196-L1201 PolarHBondContact O-N 2.64Å; I1197-L1201 HydrophobicContact CG1-CD1 4.37Å; I1197-L1201 PolarHBondContact O-N 3.19Å; L1201-N1206 PolarHBondContact O-ND2 3.1Å; L1201-L1208 HydrophobicContact CB-CD1 4.42Å
1202K85Confident82.2Confident61 Ų6158.1 Ų58.127%0.26530%0.295SS..  trans4660.8174.2-54.5-167.5178.8-170.60112.8I1197 K1198 D1199 D1204 Q1205 N1206I1197-K1202 PolarHBondContact O-N 2.61Å; K1198-K1202 WeakPolarHBondContact O-CG 3.46Å; D1199-K1202 WeakPolarHBondContact O-CE 3.49Å; K1202-D1204 VanDerWaalsContact C-N 3.3Å; K1202-D1204 PolarHBondContact O-N 2.97Å; K1202-D1204 VanDerWaalsContact O-N 3.15Å; K1202-Q1205 HydrophobicContact CB-CB 4.12Å; K1202-Q1205 HydrophobicContact CB-CG 4.47Å; K1202-Q1205 PolarHBondContact O-N 3.12Å; K1202-N1206 PolarHBondContact O-N 2.93Å
1203P83.4Confident79.8Confident26 Ų2659.5 Ų59.517%0.16930%0.303CS..Hα-helixtrans-54.8-40.5-165.418.6-31.3000114F1082 I1197 N1206 R1207 L1208F1082-P1203 HydrophobicContact CE1-CB 4.32Å; I1197-P1203 HydrophobicContact CG2-CG 4.03Å; I1197-P1203 WeakPolarHBondContact O-CD 3.4Å; P1203-N1206 CarbonylContact O-C 3.52Å; P1203-N1206 PolarHBondContact O-N 2.94Å; P1203-R1207 CarbonylContact O-C 3.49Å; P1203-R1207 WeakPolarHBondContact O-CA 3.42Å; P1203-R1207 PolarHBondContact O-N 3.35Å; P1203-L1208 HydrophobicContact CB-CB 4.05Å; P1203-L1208 PolarHBondContact O-N 3.27Å
1204D82.3Confident76.9Confident154 Ų15470.2 Ų70.282%0.82435%0.35SS*.Hα-helixtrans-65-43.3178-58-34.9000112.9K1202 N1206K1202-D1204 VanDerWaalsContact C-N 3.3Å; K1202-D1204 PolarHBondContact O-N 2.97Å; K1202-D1204 VanDerWaalsContact O-N 3.15Å; D1204-N1206 VanDerWaalsContact C-N 3.33Å
1205Q81Confident76.2Confident133 Ų13370.7 Ų70.762%0.62134%0.342SS*.Hα-helixtrans-69.6-34.3179.3-64.6-173.3-8.800111.9K1202K1202-Q1205 HydrophobicContact CB-CB 4.12Å; K1202-Q1205 HydrophobicContact CB-CG 4.47Å; K1202-Q1205 PolarHBondContact O-N 3.12Å
1206N81.1Confident75.4Confident12 Ų1272.8 Ų72.86%0.06435%0.352CS..Hα-helixtrans-95.42-177.4-76.3-29.5000113.8I1093 L1201 K1202 P1203 D1204 L1208I1093-N1206 HydrophobicContact CD1-CB 4.31Å; I1093-N1206 HydrophobicContact CG1-CB 3.94Å; L1201-N1206 PolarHBondContact O-ND2 3.1Å; K1202-N1206 PolarHBondContact O-N 2.93Å; P1203-N1206 CarbonylContact O-C 3.52Å; P1203-N1206 PolarHBondContact O-N 2.94Å; D1204-N1206 VanDerWaalsContact C-N 3.33Å; N1206-L1208 HydrophobicContact CB-CD1 3.99Å; N1206-L1208 HydrophobicContact CB-CG 4.04Å; N1206-L1208 PolarHBondContact O-N 2.83Å
1207R80.3Confident74.7Confident180 Ų18076.8 Ų76.868%0.67937%0.371SS*.THydrogen-bonded Turntrans52.439.6-176.8-56.8179.4179.1178.5-2.8112.8P1203P1203-R1207 CarbonylContact O-C 3.49Å; P1203-R1207 WeakPolarHBondContact O-CA 3.42Å; P1203-R1207 PolarHBondContact O-N 3.35Å
1208L81.9Confident73.8Confident12 Ų1280.3 Ų80.36%0.06339%0.388CS..PPolyproline II helixtrans-88.3129.3176.1-68.2166.9000109.8F1082 I1093 I1166 L1201 P1203 N1206F1082-L1208 HydrophobicContact CB-CB 4.12Å; F1082-L1208 HydrophobicContact CB-CD1 4.36Å; F1082-L1208 HydrophobicContact CB-CD2 3.96Å; F1082-L1208 HydrophobicContact CB-CG 4.39Å; F1082-L1208 HydrophobicContact CD1-CB 3.92Å; F1082-L1208 HydrophobicContact CG-CB 4.39Å; F1082-L1208 HydrophobicContact CG-CD1 4.5Å; I1093-L1208 HydrophobicContact CD1-CD1 4.37Å; I1093-L1208 HydrophobicContact CD1-CD2 3.77Å; I1093-L1208 HydrophobicContact CD1-CG 4.14Å; I1166-L1208 HydrophobicContact CD1-CD1 4.5Å; I1166-L1208 HydrophobicContact CD1-CD2 3.96Å; L1201-L1208 HydrophobicContact CB-CD1 4.42Å; P1203-L1208 HydrophobicContact CB-CB 4.05Å; P1203-L1208 PolarHBondContact O-N 3.27Å; N1206-L1208 HydrophobicContact CB-CD1 3.99Å; N1206-L1208 HydrophobicContact CB-CG 4.04Å; N1206-L1208 PolarHBondContact O-N 2.83Å
1209V79.4Confident73Confident96 Ų9677.3 Ų77.358%0.58238%0.377SS*.EExtended strand (participates in β ladder)trans-95.3120.6170.4-179.40000107.5F1082 S1083 T1211F1082-V1209 CarbonylContact C-O 3.6Å; F1082-V1209 WeakPolarHBondContact CA-O 3.4Å; S1083-V1209 PolarHBondContact N-O 2.82Å; S1083-V1209 PolarHBondContact O-N 2.87Å; S1083-V1209 VanDerWaalsContact O-N 3.12Å; S1083-V1209 PolarHBondContact OG-O 3.36Å; V1209-T1211 PolarHBondContact O-N 3.29Å
1210M75.9Confident72.2Confident79 Ų7981.3 Ų81.339%0.38940%0.396SS..EExtended strand (participates in β ladder)trans-68.2116.4173.6-165.3-178.7-56.200108.5F1082 I1197 N1212F1082-M1210 HydrophobicContact CD1-CB 4.1Å; F1082-M1210 HydrophobicContact CD1-CG 4.34Å; F1082-M1210 HydrophobicContact CE1-CB 3.87Å; F1082-M1210 HydrophobicContact CE1-CE 3.75Å; F1082-M1210 HydrophobicContact CE1-CG 3.88Å; F1082-M1210 HydrophobicContact CZ-CE 3.87Å; F1082-M1210 HydrophobicContact CZ-CG 4.19Å; I1197-M1210 HydrophobicContact CD1-CE 4Å; I1197-M1210 HydrophobicContact CG2-CE 4.11Å; M1210-N1212 PolarHBondContact O-N 2.83Å
1211T65.1Low71.3Confident37 Ų3786.8 Ų86.823%0.22742%0.423CS..EExtended strand (participates in β ladder)trans-86.4102.6172.548.10000106F1081 V1209 V1213F1081-T1211 WeakPolarHBondContact CB-OG1 3.15Å; F1081-T1211 PolarHBondContact O-N 2.77Å; F1081-T1211 PolarHBondContact O-OG1 3.13Å; V1209-T1211 PolarHBondContact O-N 3.29Å; T1211-V1213 PolarHBondContact O-N 3.49Å
1212N43.9Very low70.1Confident124 Ų12493.5 Ų93.566%0.66346%0.456SS*.  trans-57.6108.8-177.5-77.7-25000110.8M1210M1210-N1212 PolarHBondContact O-N 2.83Å
1213V42.5Very low68.9Low41 Ų4196.2 Ų96.225%0.24847%0.472CS..  trans-102115.9146.7-1790000105.1E899 F1081 T1211E899-V1213 WeakPolarHBondContact O-CG1 3.48Å; F1081-V1213 HydrophobicContact CD2-CB 4.06Å; F1081-V1213 HydrophobicContact CD2-CG2 3.66Å; F1081-V1213 HydrophobicContact CE2-CB 4.01Å; F1081-V1213 HydrophobicContact CE2-CG2 3.71Å; F1081-V1213 HydrophobicContact CG-CG2 4.5Å; T1211-V1213 PolarHBondContact O-N 3.49Å
1214K30.1Very low67.6Low260 Ų260102.5 Ų102.5100%1.1350%0.499SS*.  trans-68.20-174.3-98-176174-178.70111.7

Retrieved 1,214 of 1,214 residues in 1483.7 ms (Link to these results)

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