A0A3Q0KH66_SCHMA Loading...

DNA polymerase alpha subunit B

Accessory subunit of the DNA polymerase alpha complex (also known as the alpha DNA polymerase-primase complex) which plays an essential role in the initiation of DNA synthesis.

AlphaFold DB , UniProt , Accession A0A3Q0KH66, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 675 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
1M71.1Confident84.1Confident52 Ų5268.1 Ų68.126%0.25635%0.351SS..  0130.20-176.8-177.3-61.400107.6I6 S27 E31 L35 A37 L40M1-I6 HydrophobicContact CG-CD1 4.12Å; M1-I6 HydrophobicContact CG-CG1 4.14Å; M1-I6 HydrophobicContact SD-CD1 3.59Å; M1-I6 VanDerWaalsContact SD-CD1 3.59Å; M1-I6 HydrophobicContact SD-CG1 3.69Å; M1-S27 PolarHBondContact O-OG 3.24Å; M1-E31 HydrophobicContact CB-CG 4.4Å; M1-E31 PolarHBondContact N-OE1 2.91Å; M1-L35 WeakPolarHBondContact CE-O 3.29Å; M1-A37 HydrophobicContact CG-CB 4.27Å; M1-A37 HydrophobicContact SD-CB 4.01Å; M1-L40 HydrophobicContact CE-CD2 4.38Å; M1-L40 HydrophobicContact SD-CD2 3.92Å
2E79.5Confident84Confident144 Ų14471.7 Ų71.767%0.67338%0.378SS*.  trans-78.4138.6-177.5-69-157.5177.900110.9G4 E5E2-G4 PolarHBondContact O-N 2.78Å; E2-E5 HydrophobicContact CB-CG 4.09Å; E2-E5 PolarHBondContact N-OE2 2.91Å; E2-E5 PolarHBondContact O-N 2.66Å
3V83Confident84Confident52 Ų5270.9 Ų70.932%0.31537%0.37SS..Hα-helixtrans-64.5-28.4-179.1165.80000111.7I6 V7 L23V3-I6 PolarHBondContact O-N 3.29Å; V3-V7 WeakPolarHBondContact O-CG2 3.41Å; V3-V7 PolarHBondContact O-N 3.26Å; V3-L23 HydrophobicContact CG1-CB 3.78Å; V3-L23 HydrophobicContact CG1-CD1 3.87Å; V3-L23 HydrophobicContact CG1-CG 4.35Å
4G82.6Confident83.9Confident39 Ų3969.4 Ų69.440%0.40238%0.38SS..Hα-helixtrans-61.5-48.6175.700000112.8E2 I6 V7 E8E2-G4 PolarHBondContact O-N 2.78Å; G4-I6 VanDerWaalsContact C-N 3.26Å; G4-I6 PolarHBondContact O-N 3.08Å; G4-V7 PolarHBondContact O-N 3.49Å; G4-E8 PolarHBondContact O-N 3.12Å
5E85.2Confident84Confident92 Ų9264.9 Ų64.943%0.4336%0.355SS..Hα-helixtrans-54.8-42.1179.1-59.1170.6152.100111.8E2 V7 E8 E9 A37E2-E5 HydrophobicContact CB-CG 4.09Å; E2-E5 PolarHBondContact N-OE2 2.91Å; E2-E5 PolarHBondContact O-N 2.66Å; E5-V7 VanDerWaalsContact C-N 3.35Å; E5-V7 PolarHBondContact O-N 3.21Å; E5-E8 PolarHBondContact O-N 2.83Å; E5-E9 WeakPolarHBondContact O-CB 3.47Å; E5-E9 WeakPolarHBondContact O-CG 3.39Å; E5-E9 PolarHBondContact O-N 2.95Å; E5-E9 VanDerWaalsContact O-N 3.07Å; E5-A37 HydrophobicContact CB-CB 3.77Å
6I87.4Confident84Confident0 Ų065.1 Ų65.10%036%0.359CS..Hα-helixtrans-65.9-38.2179.1-55.6174.2000111M1 V3 G4 L10 L23 L26 A37 L40 V41M1-I6 HydrophobicContact CG-CD1 4.12Å; M1-I6 HydrophobicContact CG-CG1 4.14Å; M1-I6 HydrophobicContact SD-CD1 3.59Å; M1-I6 VanDerWaalsContact SD-CD1 3.59Å; M1-I6 HydrophobicContact SD-CG1 3.69Å; V3-I6 PolarHBondContact O-N 3.29Å; G4-I6 VanDerWaalsContact C-N 3.26Å; G4-I6 PolarHBondContact O-N 3.08Å; I6-L10 HydrophobicContact CG2-CD1 3.96Å; I6-L10 HydrophobicContact CG2-CG 4.38Å; I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 WeakPolarHBondContact O-CD1 3.3Å; I6-L10 WeakPolarHBondContact O-CG 3.38Å; I6-L10 PolarHBondContact O-N 3.39Å; I6-L23 HydrophobicContact CG2-CD2 4.23Å; I6-L26 HydrophobicContact CD1-CB 4.49Å; I6-L26 HydrophobicContact CG2-CB 4.45Å; I6-L26 HydrophobicContact CG2-CD1 4.37Å; I6-A37 HydrophobicContact CG1-CB 4.22Å; I6-L40 HydrophobicContact CD1-CD2 4.37Å; I6-V41 HydrophobicContact CG2-CG2 4.18Å
7V87Confident84Confident43 Ų4362.1 Ų62.126%0.26135%0.345SS..Hα-helixtrans-68.8-42.9179.2173.40000111.1V3 G4 E5 L10 Q11 L23V3-V7 WeakPolarHBondContact O-CG2 3.41Å; V3-V7 PolarHBondContact O-N 3.26Å; G4-V7 PolarHBondContact O-N 3.49Å; E5-V7 VanDerWaalsContact C-N 3.35Å; E5-V7 PolarHBondContact O-N 3.21Å; V7-L10 PolarHBondContact O-N 3.18Å; V7-Q11 WeakPolarHBondContact O-CG 3.35Å; V7-Q11 PolarHBondContact O-N 2.71Å; V7-L23 HydrophobicContact CG2-CD1 3.52Å; V7-L23 HydrophobicContact CG2-CD2 3.66Å; V7-L23 HydrophobicContact CG2-CG 4.25Å
8E86.6Confident83.3Confident137 Ų13764.5 Ų64.564%0.6436%0.357SS*.Hα-helixtrans-62.2-49.4177.6-69178.5-176.500111.1G4 E5 L10 Q11 V12G4-E8 PolarHBondContact O-N 3.12Å; E5-E8 PolarHBondContact O-N 2.83Å; E8-L10 PolarHBondContact O-N 3.33Å; E8-Q11 PolarHBondContact O-N 2.82Å; E8-V12 WeakPolarHBondContact O-CG2 3.35Å; E8-V12 PolarHBondContact O-N 3.39Å
9E88.6Confident83.2Confident57 Ų5765.1 Ų65.127%0.26636%0.359SS..Hα-helixtrans-60.6-40.4175.9-71.4-71.7138.600112.2E5 Q11 V12 F13 A37 S38 V41E5-E9 WeakPolarHBondContact O-CB 3.47Å; E5-E9 WeakPolarHBondContact O-CG 3.39Å; E5-E9 PolarHBondContact O-N 2.95Å; E5-E9 VanDerWaalsContact O-N 3.07Å; E9-Q11 PolarHBondContact O-N 3.41Å; E9-V12 WeakPolarHBondContact O-CB 3.36Å; E9-V12 PolarHBondContact O-N 3.07Å; E9-F13 VanDerWaalsContact O-CD2 3.3Å; E9-F13 WeakPolarHBondContact O-CD2 3.45Å; E9-A37 HydrophobicContact CG-CB 4.45Å; E9-S38 VanDerWaalsContact OE2-CA 3.31Å; E9-S38 WeakPolarHBondContact OE2-CA 3.44Å; E9-S38 WeakPolarHBondContact OE2-CB 3.49Å; E9-S38 PolarHBondContact OE2-OG 3.44Å; E9-V41 HydrophobicContact CB-CB 4.04Å; E9-V41 HydrophobicContact CB-CG1 4.15Å; E9-V41 HydrophobicContact CB-CG2 3.79Å
10L88.1Confident83.1Confident2 Ų271.2 Ų71.21%0.0138%0.376CS..Hα-helixtrans-63.1-39.8175.7-77.9171.4000112.6I6 V7 E8 V12 F13 G14 L15 A17 L23 L26 V41 Y44 I57I6-L10 HydrophobicContact CG2-CD1 3.96Å; I6-L10 HydrophobicContact CG2-CG 4.38Å; I6-L10 WeakPolarHBondContact O-CB 3.48Å; I6-L10 WeakPolarHBondContact O-CD1 3.3Å; I6-L10 WeakPolarHBondContact O-CG 3.38Å; I6-L10 PolarHBondContact O-N 3.39Å; V7-L10 PolarHBondContact O-N 3.18Å; E8-L10 PolarHBondContact O-N 3.33Å; L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 2.99Å; L10-F13 PolarHBondContact O-N 3.29Å; L10-F13 VanDerWaalsContact O-N 3.13Å; L10-G14 PolarHBondContact O-N 3.38Å; L10-L15 HydrophobicContact CB-CB 4.31Å; L10-L15 HydrophobicContact CD2-CB 3.91Å; L10-L15 HydrophobicContact CD2-CD1 3.79Å; L10-L15 PolarHBondContact O-N 3.08Å; L10-A17 HydrophobicContact CD1-CB 4.06Å; L10-L23 HydrophobicContact CD1-CD2 4.19Å; L10-L26 HydrophobicContact CD1-CD1 4.35Å; L10-V41 HydrophobicContact CD2-CG1 3.98Å; L10-V41 HydrophobicContact CD2-CG2 4.05Å; L10-V41 HydrophobicContact CG-CG1 4.38Å; L10-V41 HydrophobicContact CG-CG2 3.91Å; L10-Y44 HydrophobicContact CD2-CD1 4.45Å; L10-I57 HydrophobicContact CD1-CD1 3.91Å; L10-I57 HydrophobicContact CD2-CD1 3.6Å; L10-I57 HydrophobicContact CG-CD1 4.41Å
11Q86.2Confident83.3Confident131 Ų13171.2 Ų71.261%0.61238%0.38SS*.Hα-helixtrans-64.8-33.5177.7-74.7177.311.700112.3V7 E8 E9 F13 G14V7-Q11 WeakPolarHBondContact O-CG 3.35Å; V7-Q11 PolarHBondContact O-N 2.71Å; E8-Q11 PolarHBondContact O-N 2.82Å; E9-Q11 PolarHBondContact O-N 3.41Å; Q11-F13 PolarHBondContact O-N 3Å; Q11-G14 PolarHBondContact O-N 2.86Å
12V82.7Confident84.1Confident111 Ų11168.8 Ų68.867%0.67337%0.368SS*.Hα-helixtrans-58.4-28.9173.7173.20000112.2E8 E9 L10E8-V12 WeakPolarHBondContact O-CG2 3.35Å; E8-V12 PolarHBondContact O-N 3.39Å; E9-V12 WeakPolarHBondContact O-CB 3.36Å; E9-V12 PolarHBondContact O-N 3.07Å; L10-V12 VanDerWaalsContact C-N 3.31Å; L10-V12 PolarHBondContact O-N 2.99Å
13F83.8Confident84.6Confident62 Ų6262.6 Ų62.627%0.27234%0.339SS..THydrogen-bonded Turntrans-97.84.1175.8-65.6-80000114.4E9 L10 Q11 L15 V41 E42 V45E9-F13 VanDerWaalsContact O-CD2 3.3Å; E9-F13 WeakPolarHBondContact O-CD2 3.45Å; L10-F13 PolarHBondContact O-N 3.29Å; L10-F13 VanDerWaalsContact O-N 3.13Å; Q11-F13 PolarHBondContact O-N 3Å; F13-L15 VanDerWaalsContact C-N 3.29Å; F13-L15 HydrophobicContact CB-CG 4.44Å; F13-L15 PolarHBondContact O-N 3.34Å; F13-V41 HydrophobicContact CD2-CG1 3.65Å; F13-V41 HydrophobicContact CE2-CG1 3.89Å; F13-E42 HydrophobicContact CE2-CG 4.32Å; F13-E42 HydrophobicContact CZ-CG 3.97Å; F13-V45 HydrophobicContact CB-CG2 3.77Å; F13-V45 HydrophobicContact CD1-CG1 4.03Å; F13-V45 HydrophobicContact CD1-CG2 4.07Å; F13-V45 HydrophobicContact CD2-CG2 3.82Å; F13-V45 HydrophobicContact CE2-CG2 4.44Å; F13-V45 HydrophobicContact CG-CG1 4.37Å; F13-V45 HydrophobicContact CG-CG2 3.61Å
14G82.5Confident84.8Confident49 Ų4964.8 Ų64.851%0.50535%0.346SS..THydrogen-bonded Turntrans75.611.7-178.200000114.9L10 Q11L10-G14 PolarHBondContact O-N 3.38Å; Q11-G14 PolarHBondContact O-N 2.86Å
15L85.2Confident85.1Confident3 Ų365.8 Ų65.82%0.01634%0.339CS..  trans-86.9142.9179.7-64179000111.2L10 F13 Y44 V45 Q48 D55 I57L10-L15 HydrophobicContact CB-CB 4.31Å; L10-L15 HydrophobicContact CD2-CB 3.91Å; L10-L15 HydrophobicContact CD2-CD1 3.79Å; L10-L15 PolarHBondContact O-N 3.08Å; F13-L15 VanDerWaalsContact C-N 3.29Å; F13-L15 HydrophobicContact CB-CG 4.44Å; F13-L15 PolarHBondContact O-N 3.34Å; L15-Y44 HydrophobicContact CD1-CD1 3.95Å; L15-Y44 HydrophobicContact CD1-CE1 4.05Å; L15-V45 HydrophobicContact CD1-CG2 3.6Å; L15-Q48 HydrophobicContact CD2-CG 4.45Å; L15-D55 WeakPolarHBondContact CA-O 3.28Å; L15-D55 HydrophobicContact CD2-CB 4.07Å; L15-I57 HydrophobicContact CB-CD1 4.27Å; L15-I57 HydrophobicContact CD1-CD1 4.39Å
16V85.1Confident85.3Confident67 Ų6761.6 Ų61.641%0.40632%0.32SS..BIsolated β-bridgetrans-122.7125-176.5-177.10000110.9D18 D55 R56 I57V16-D18 VanDerWaalsContact CG1-OD1 3.29Å; V16-D18 WeakPolarHBondContact CG1-OD1 3.45Å; V16-D55 PolarHBondContact N-O 2.78Å; V16-R56 CarbonylContact O-C 3.49Å; V16-R56 WeakPolarHBondContact O-CA 3.33Å; V16-I57 PolarHBondContact O-N 2.68Å
17A82.9Confident85.5Confident15 Ų1562.1 Ų62.112%0.12432%0.323CS..  trans-125.888.6177.500000110.4L10 D19 V22 L23 I57L10-A17 HydrophobicContact CD1-CB 4.06Å; A17-D19 VanDerWaalsContact C-N 3.33Å; A17-D19 PolarHBondContact O-N 3.4Å; A17-V22 HydrophobicContact CB-CG1 4.37Å; A17-L23 HydrophobicContact CB-CD2 3.82Å; A17-L23 HydrophobicContact CB-CG 4.17Å; A17-I57 HydrophobicContact CB-CB 4.19Å; A17-I57 HydrophobicContact CB-CD1 4.35Å
18D71.8Confident85.6Confident105 Ų10566 Ų6656%0.56134%0.337SS*.  trans-81.7-8.6-175.9-60.3-45.6000114.2V16 R56V16-D18 VanDerWaalsContact CG1-OD1 3.29Å; V16-D18 WeakPolarHBondContact CG1-OD1 3.45Å; D18-R56 IonicContact OD2-CZ 3.1Å; D18-R56 IonicContact OD2-NE 2.78Å; D18-R56 PolarHBondContact OD2-NE 2.8Å; D18-R56 IonicContact OD2-NH2 2.66Å; D18-R56 PolarHBondContact OD2-NH2 3.25Å
19D81.1Confident85.7Confident75 Ų7559.6 Ų59.640%0.40131%0.307SS..  trans-102.4121.6-176.5-173.1-12.7000110.9A17 V21 V22 L23A17-D19 VanDerWaalsContact C-N 3.33Å; A17-D19 PolarHBondContact O-N 3.4Å; D19-V21 PolarHBondContact O-N 2.93Å; D19-V21 WeakPolarHBondContact OD1-CB 3.33Å; D19-V21 PolarHBondContact OD1-N 3.14Å; D19-V22 HydrophobicContact CB-CB 4.22Å; D19-V22 HydrophobicContact CB-CG2 3.8Å; D19-V22 WeakPolarHBondContact O-CB 3.41Å; D19-V22 PolarHBondContact O-N 2.97Å; D19-V22 VanDerWaalsContact O-N 3.08Å; D19-L23 PolarHBondContact O-N 3.45Å
20R82.6Confident85.7Confident187 Ų18756.9 Ų56.971%0.70629%0.294SS*.Hα-helixtrans-59.6-33.2179-163.7-179.2-178.8154.310.3112.4V22 L23 E24R20-V22 VanDerWaalsContact C-N 3.3Å; R20-V22 PolarHBondContact O-N 3.16Å; R20-L23 PolarHBondContact O-N 3.2Å; R20-E24 HydrophobicContact CG-CG 4.5Å; R20-E24 WeakPolarHBondContact CG-OE1 3.41Å; R20-E24 IonicContact NE-OE1 3.21Å; R20-E24 PolarHBondContact NE-OE1 3.22Å; R20-E24 WeakPolarHBondContact O-CB 3.35Å; R20-E24 WeakPolarHBondContact O-CG 3.41Å; R20-E24 PolarHBondContact O-N 2.84Å
21V86.3Confident85.7Confident73 Ų7362.5 Ų62.544%0.44232%0.32SS..Hα-helixtrans-66.4-34.7178-177.70000111.3D19 K25D19-V21 PolarHBondContact O-N 2.93Å; D19-V21 WeakPolarHBondContact OD1-CB 3.33Å; D19-V21 PolarHBondContact OD1-N 3.14Å; V21-K25 VanDerWaalsContact O-CB 3.3Å; V21-K25 WeakPolarHBondContact O-CB 3.45Å; V21-K25 PolarHBondContact O-N 3.29Å; V21-K25 VanDerWaalsContact O-N 3.08Å
22V88.6Confident85.8Confident1 Ų162.3 Ų62.31%0.00631%0.314CS..Hα-helixtrans-67-45176.6171.70000110.5A17 D19 R20 K25 L26 I57 Q59 V62A17-V22 HydrophobicContact CB-CG1 4.37Å; D19-V22 HydrophobicContact CB-CB 4.22Å; D19-V22 HydrophobicContact CB-CG2 3.8Å; D19-V22 WeakPolarHBondContact O-CB 3.41Å; D19-V22 PolarHBondContact O-N 2.97Å; D19-V22 VanDerWaalsContact O-N 3.08Å; R20-V22 VanDerWaalsContact C-N 3.3Å; R20-V22 PolarHBondContact O-N 3.16Å; V22-K25 PolarHBondContact O-N 2.95Å; V22-L26 HydrophobicContact CG1-CD1 4.44Å; V22-L26 PolarHBondContact O-N 2.7Å; V22-I57 HydrophobicContact CG1-CB 4.2Å; V22-I57 HydrophobicContact CG1-CG2 3.43Å; V22-I57 VanDerWaalsContact CG1-CG2 3.43Å; V22-Q59 HydrophobicContact CG2-CB 4.08Å; V22-V62 HydrophobicContact CG1-CG2 3.85Å
23L88.6Confident86Confident14 Ų1458.7 Ų58.77%0.07329%0.288CS..Hα-helixtrans-68.7-42.7179.3-68.8169.9000112.7V3 I6 V7 L10 A17 D19 R20 K25 L26 S27V3-L23 HydrophobicContact CG1-CB 3.78Å; V3-L23 HydrophobicContact CG1-CD1 3.87Å; V3-L23 HydrophobicContact CG1-CG 4.35Å; I6-L23 HydrophobicContact CG2-CD2 4.23Å; V7-L23 HydrophobicContact CG2-CD1 3.52Å; V7-L23 HydrophobicContact CG2-CD2 3.66Å; V7-L23 HydrophobicContact CG2-CG 4.25Å; L10-L23 HydrophobicContact CD1-CD2 4.19Å; A17-L23 HydrophobicContact CB-CD2 3.82Å; A17-L23 HydrophobicContact CB-CG 4.17Å; D19-L23 PolarHBondContact O-N 3.45Å; R20-L23 PolarHBondContact O-N 3.2Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.32Å; L23-L26 PolarHBondContact O-N 3.37Å; L23-S27 PolarHBondContact O-N 3.38Å
24E88.3Confident86Confident98 Ų9859 Ų5946%0.45831%0.31SS..Hα-helixtrans-60.4-38.6173.8-74.9171.9-171.600111.2R20 S27 F28R20-E24 HydrophobicContact CG-CG 4.5Å; R20-E24 WeakPolarHBondContact CG-OE1 3.41Å; R20-E24 IonicContact NE-OE1 3.21Å; R20-E24 PolarHBondContact NE-OE1 3.22Å; R20-E24 WeakPolarHBondContact O-CB 3.35Å; R20-E24 WeakPolarHBondContact O-CG 3.41Å; R20-E24 PolarHBondContact O-N 2.84Å; E24-S27 PolarHBondContact O-N 3.16Å; E24-F28 WeakPolarHBondContact O-CB 3.41Å; E24-F28 PolarHBondContact O-N 3.49Å
25K89Confident86.2Confident60 Ų6058.3 Ų58.326%0.26129%0.294SS..Hα-helixtrans-69.6-38.1176.1-165163.5-172.5157.60112.8V21 V22 L23 F28 L29 V62 E63V21-K25 VanDerWaalsContact O-CB 3.3Å; V21-K25 WeakPolarHBondContact O-CB 3.45Å; V21-K25 PolarHBondContact O-N 3.29Å; V21-K25 VanDerWaalsContact O-N 3.08Å; V22-K25 PolarHBondContact O-N 2.95Å; L23-K25 VanDerWaalsContact C-N 3.27Å; L23-K25 PolarHBondContact O-N 3.32Å; K25-F28 PolarHBondContact O-N 3.2Å; K25-L29 WeakPolarHBondContact O-CG 3.5Å; K25-L29 PolarHBondContact O-N 3.48Å; K25-V62 HydrophobicContact CB-CG1 4.34Å; K25-V62 HydrophobicContact CD-CG1 4.31Å; K25-V62 HydrophobicContact CG-CG1 3.98Å; K25-E63 IonicContact NZ-OE1 3.1Å; K25-E63 PolarHBondContact NZ-OE1 3.43Å
26L89.7Confident86.4Confident3 Ų362.7 Ų62.72%0.01632%0.318CS..Hα-helixtrans-63.5-46.9171.9-77.3170.5000111.3I6 L10 V22 L23 F28 L29 G30 L40 Y44 V62 F65I6-L26 HydrophobicContact CD1-CB 4.49Å; I6-L26 HydrophobicContact CG2-CB 4.45Å; I6-L26 HydrophobicContact CG2-CD1 4.37Å; L10-L26 HydrophobicContact CD1-CD1 4.35Å; V22-L26 HydrophobicContact CG1-CD1 4.44Å; V22-L26 PolarHBondContact O-N 2.7Å; L23-L26 PolarHBondContact O-N 3.37Å; L26-F28 VanDerWaalsContact C-N 3.32Å; L26-F28 PolarHBondContact O-N 2.98Å; L26-L29 PolarHBondContact O-N 3.02Å; L26-L29 VanDerWaalsContact O-N 3.07Å; L26-G30 PolarHBondContact O-N 3.49Å; L26-L40 HydrophobicContact CB-CD2 4.29Å; L26-L40 VanDerWaalsContact O-CD2 3.22Å; L26-L40 WeakPolarHBondContact O-CD2 3.5Å; L26-Y44 HydrophobicContact CD2-CD2 4.25Å; L26-V62 HydrophobicContact CD1-CG2 4.39Å; L26-V62 HydrophobicContact CD2-CG1 3.97Å; L26-V62 HydrophobicContact CD2-CG2 4.08Å; L26-V62 HydrophobicContact CG-CG1 4.17Å; L26-V62 HydrophobicContact CG-CG2 4.05Å; L26-F65 HydrophobicContact CD2-CD1 4.43Å; L26-F65 HydrophobicContact CD2-CE1 4.41Å
27S90.1Very high86.5Confident11 Ų1160 Ų608%0.07730%0.302CS..Hα-helixtrans-56.3-45.6175.8-174.80000111.8M1 L23 E24 L29 G30 E31M1-S27 PolarHBondContact O-OG 3.24Å; L23-S27 PolarHBondContact O-N 3.38Å; E24-S27 PolarHBondContact O-N 3.16Å; S27-L29 VanDerWaalsContact C-N 3.35Å; S27-L29 PolarHBondContact O-N 3.3Å; S27-G30 PolarHBondContact O-N 2.98Å; S27-G30 VanDerWaalsContact O-N 3.17Å; S27-E31 PolarHBondContact O-N 2.92Å
28F90.4Very high86.7Confident126 Ų12661.2 Ų61.255%0.55331%0.31SS*.Hα-helixtrans-60.2-38.4174.8179.5-98.5000113.4E24 K25 L26 R32E24-F28 WeakPolarHBondContact O-CB 3.41Å; E24-F28 PolarHBondContact O-N 3.49Å; K25-F28 PolarHBondContact O-N 3.2Å; L26-F28 VanDerWaalsContact C-N 3.32Å; L26-F28 PolarHBondContact O-N 2.98Å; F28-R32 WeakPolarHBondContact O-CB 3.16Å; F28-R32 PolarHBondContact O-N 3.26Å
29L89.1Confident87.4Confident1 Ų158.5 Ų58.51%0.00530%0.297CS..Hα-helixtrans-68.6-39.4174.6-67.8173.4000112.1K25 L26 S27 R32 W33 L40 V62 F65 D66K25-L29 WeakPolarHBondContact O-CG 3.5Å; K25-L29 PolarHBondContact O-N 3.48Å; L26-L29 PolarHBondContact O-N 3.02Å; L26-L29 VanDerWaalsContact O-N 3.07Å; S27-L29 VanDerWaalsContact C-N 3.35Å; S27-L29 PolarHBondContact O-N 3.3Å; L29-R32 PolarHBondContact O-N 3.13Å; L29-W33 HydrophobicContact CB-CE3 4.15Å; L29-W33 HydrophobicContact CB-CH2 4.17Å; L29-W33 HydrophobicContact CB-CZ3 3.97Å; L29-W33 HydrophobicContact CD1-CH2 4.15Å; L29-W33 HydrophobicContact CD2-CH2 4.15Å; L29-W33 HydrophobicContact CD2-CZ2 3.93Å; L29-W33 HydrophobicContact CG-CH2 4.38Å; L29-W33 WeakPolarHBondContact O-CB 3.47Å; L29-W33 PolarHBondContact O-N 3.44Å; L29-L40 HydrophobicContact CB-CD1 4.48Å; L29-V62 HydrophobicContact CD1-CG1 3.75Å; L29-F65 HydrophobicContact CD1-CD1 4.1Å; L29-F65 HydrophobicContact CD1-CE1 4.48Å; L29-D66 HydrophobicContact CD1-CB 3.99Å; L29-D66 HydrophobicContact CD2-CB 3.78Å; L29-D66 VanDerWaalsContact CD2-CG 3.46Å
30G88Confident87.9Confident0 Ų055 Ų550%028%0.278CS..Hα-helixtrans-57.8-49.2173.300000112.2L26 S27 W33 G34 L35L26-G30 PolarHBondContact O-N 3.49Å; S27-G30 PolarHBondContact O-N 2.98Å; S27-G30 VanDerWaalsContact O-N 3.17Å; G30-W33 PolarHBondContact O-N 3.37Å; G30-G34 PolarHBondContact O-N 3.47Å; G30-L35 PolarHBondContact O-N 3.19Å
31E87.3Confident88.2Confident120 Ų12046.2 Ų46.256%0.56125%0.246SC*.Hα-helixtrans-65.3-43.6176.6-69.3-179175.600112.4M1 S27 W33 G34M1-E31 HydrophobicContact CB-CG 4.4Å; M1-E31 PolarHBondContact N-OE1 2.91Å; S27-E31 PolarHBondContact O-N 2.92Å; E31-W33 VanDerWaalsContact C-N 3.25Å; E31-W33 PolarHBondContact O-N 3.06Å; E31-G34 PolarHBondContact O-N 3.17Å
32R87.8Confident88.3Confident128 Ų12845.9 Ų45.948%0.48324%0.239SC..Hα-helixtrans-62-30.3177.3179.7177.7170.9-145.1-8.3113.2F28 L29 D66 S70F28-R32 WeakPolarHBondContact O-CB 3.16Å; F28-R32 PolarHBondContact O-N 3.26Å; L29-R32 PolarHBondContact O-N 3.13Å; R32-D66 IonicContact CZ-OD1 2.71Å; R32-D66 IonicContact NH1-OD1 3.79Å; R32-D66 PolarHBondContact NH1-OD1 3.28Å; R32-D66 IonicContact NH1-OD2 3.1Å; R32-D66 PolarHBondContact NH1-OD2 3.17Å; R32-S70 PolarHBondContact NH2-OG 3.07Å
33W87.5Confident88.3Confident34 Ų3448.6 Ų48.613%0.12925%0.251CS..Hα-helixtrans-101.8-1.8180-60.8-29.1000114.2L29 G30 E31 L35 L40 F65 T69 S70L29-W33 HydrophobicContact CB-CE3 4.15Å; L29-W33 HydrophobicContact CB-CH2 4.17Å; L29-W33 HydrophobicContact CB-CZ3 3.97Å; L29-W33 HydrophobicContact CD1-CH2 4.15Å; L29-W33 HydrophobicContact CD2-CH2 4.15Å; L29-W33 HydrophobicContact CD2-CZ2 3.93Å; L29-W33 HydrophobicContact CG-CH2 4.38Å; L29-W33 WeakPolarHBondContact O-CB 3.47Å; L29-W33 PolarHBondContact O-N 3.44Å; G30-W33 PolarHBondContact O-N 3.37Å; E31-W33 VanDerWaalsContact C-N 3.25Å; E31-W33 PolarHBondContact O-N 3.06Å; W33-L35 HydrophobicContact CB-CD1 4.09Å; W33-L35 HydrophobicContact CB-CG 3.92Å; W33-L35 HydrophobicContact CE3-CD1 4.02Å; W33-L40 HydrophobicContact CE3-CD1 4.19Å; W33-L40 HydrophobicContact CZ3-CD1 4.11Å; W33-F65 HydrophobicContact CH2-CD1 4.15Å; W33-F65 AromaticContact CH2-CE1 3.84Å; W33-F65 HydrophobicContact CH2-CE1 3.84Å; W33-F65 HydrophobicContact CH2-CZ 4.2Å; W33-F65 HydrophobicContact CZ3-CD1 4.3Å; W33-F65 AromaticContact CZ3-CE1 3.55Å; W33-F65 HydrophobicContact CZ3-CE1 3.55Å; W33-F65 AromaticContact CZ3-CZ 3.77Å; W33-F65 HydrophobicContact CZ3-CZ 3.77Å; W33-T69 HydrophobicContact CE3-CG2 4.46Å; W33-T69 HydrophobicContact CH2-CG2 3.66Å; W33-T69 HydrophobicContact CZ2-CG2 3.99Å; W33-T69 HydrophobicContact CZ3-CG2 3.91Å; W33-S70 PolarHBondContact NE1-OG 2.66Å
34G85Confident88.4Confident70 Ų7048 Ų4872%0.72225%0.248SC*.THydrogen-bonded Turntrans65.835.9-179.800000113.9G30 E31G30-G34 PolarHBondContact O-N 3.47Å; E31-G34 PolarHBondContact O-N 3.17Å
35L86.5Confident88.4Confident33 Ų3343.8 Ų43.817%0.17323%0.228CC..  trans-100.8156.2-179.9-53.2179.8000110.9M1 G30 W33 T39 L40 K43M1-L35 WeakPolarHBondContact CE-O 3.29Å; G30-L35 PolarHBondContact O-N 3.19Å; W33-L35 HydrophobicContact CB-CD1 4.09Å; W33-L35 HydrophobicContact CB-CG 3.92Å; W33-L35 HydrophobicContact CE3-CD1 4.02Å; L35-T39 HydrophobicContact CD2-CG2 4.03Å; L35-L40 HydrophobicContact CB-CB 4.45Å; L35-L40 HydrophobicContact CD1-CD1 4.39Å; L35-K43 HydrophobicContact CD1-CD 3.81Å; L35-K43 VanDerWaalsContact CD2-NZ 3.31Å
36N88.4Confident88.3Confident96 Ų9643.2 Ų43.251%0.51324%0.235SC..  trans-84.2169.7163.767.119.4000110.7S38 T39 L40N36-S38 PolarHBondContact O-N 3.4Å; N36-T39 PolarHBondContact O-N 2.99Å; N36-T39 WeakPolarHBondContact OD1-CB 3.33Å; N36-T39 PolarHBondContact OD1-N 3.48Å; N36-T39 PolarHBondContact OD1-OG1 3.04Å; N36-L40 WeakPolarHBondContact O-CB 3.46Å; N36-L40 PolarHBondContact O-N 3.48Å
37A87.5Confident88.3Confident10 Ų1043.8 Ų43.88%0.08324%0.237CC..Hα-helixtrans-57.7-46.9-176.700000112.4M1 E5 I6 E9 L40 V41M1-A37 HydrophobicContact CG-CB 4.27Å; M1-A37 HydrophobicContact SD-CB 4.01Å; E5-A37 HydrophobicContact CB-CB 3.77Å; I6-A37 HydrophobicContact CG1-CB 4.22Å; E9-A37 HydrophobicContact CG-CB 4.45Å; A37-L40 WeakPolarHBondContact O-CB 3.33Å; A37-L40 PolarHBondContact O-N 3.01Å; A37-V41 WeakPolarHBondContact O-CG2 3.32Å; A37-V41 PolarHBondContact O-N 3Å
38S86.8Confident88.2Confident40 Ų4044 Ų4428%0.2824%0.237SC..Hα-helixtrans-62.3-47.8-179.5-163.20000112.7E9 N36 L40 V41 E42E9-S38 VanDerWaalsContact OE2-CA 3.31Å; E9-S38 WeakPolarHBondContact OE2-CA 3.44Å; E9-S38 WeakPolarHBondContact OE2-CB 3.49Å; E9-S38 PolarHBondContact OE2-OG 3.44Å; N36-S38 PolarHBondContact O-N 3.4Å; S38-L40 VanDerWaalsContact C-N 3.3Å; S38-L40 PolarHBondContact O-N 3.37Å; S38-V41 PolarHBondContact O-N 3.32Å; S38-V41 VanDerWaalsContact O-N 3.16Å; S38-E42 PolarHBondContact O-N 3.25Å
39T87.2Confident87.9Confident49 Ų4943.3 Ų43.330%0.30123%0.231SC..Hα-helixtrans-65.5-32.6177.7-58.60000112.4L35 N36 K43L35-T39 HydrophobicContact CD2-CG2 4.03Å; N36-T39 PolarHBondContact O-N 2.99Å; N36-T39 WeakPolarHBondContact OD1-CB 3.33Å; N36-T39 PolarHBondContact OD1-N 3.48Å; N36-T39 PolarHBondContact OD1-OG1 3.04Å; T39-K43 HydrophobicContact CG2-CD 4.49Å; T39-K43 WeakPolarHBondContact O-CB 3.39Å; T39-K43 WeakPolarHBondContact O-CG 3.48Å; T39-K43 PolarHBondContact O-N 3.35Å
40L90.3Very high87.7Confident1 Ų149.3 Ų49.31%0.00526%0.263CS..Hα-helixtrans-65.9-46.6173.117670000110.8M1 I6 L26 L29 W33 L35 N36 A37 S38 K43 Y44 F65M1-L40 HydrophobicContact CE-CD2 4.38Å; M1-L40 HydrophobicContact SD-CD2 3.92Å; I6-L40 HydrophobicContact CD1-CD2 4.37Å; L26-L40 HydrophobicContact CB-CD2 4.29Å; L26-L40 VanDerWaalsContact O-CD2 3.22Å; L26-L40 WeakPolarHBondContact O-CD2 3.5Å; L29-L40 HydrophobicContact CB-CD1 4.48Å; W33-L40 HydrophobicContact CE3-CD1 4.19Å; W33-L40 HydrophobicContact CZ3-CD1 4.11Å; L35-L40 HydrophobicContact CB-CB 4.45Å; L35-L40 HydrophobicContact CD1-CD1 4.39Å; N36-L40 WeakPolarHBondContact O-CB 3.46Å; N36-L40 PolarHBondContact O-N 3.48Å; A37-L40 WeakPolarHBondContact O-CB 3.33Å; A37-L40 PolarHBondContact O-N 3.01Å; S38-L40 VanDerWaalsContact C-N 3.3Å; S38-L40 PolarHBondContact O-N 3.37Å; L40-K43 PolarHBondContact O-N 3.3Å; L40-Y44 PolarHBondContact O-N 3.42Å; L40-F65 HydrophobicContact CD1-CE1 4.17Å
41V90.5Very high87.5Confident3 Ų351.8 Ų51.82%0.01828%0.278CS..Hα-helixtrans-66.5-45.7179.3168.10000111.4I6 E9 L10 F13 A37 S38 K43 Y44 V45I6-V41 HydrophobicContact CG2-CG2 4.18Å; E9-V41 HydrophobicContact CB-CB 4.04Å; E9-V41 HydrophobicContact CB-CG1 4.15Å; E9-V41 HydrophobicContact CB-CG2 3.79Å; L10-V41 HydrophobicContact CD2-CG1 3.98Å; L10-V41 HydrophobicContact CD2-CG2 4.05Å; L10-V41 HydrophobicContact CG-CG1 4.38Å; L10-V41 HydrophobicContact CG-CG2 3.91Å; F13-V41 HydrophobicContact CD2-CG1 3.65Å; F13-V41 HydrophobicContact CE2-CG1 3.89Å; A37-V41 WeakPolarHBondContact O-CG2 3.32Å; A37-V41 PolarHBondContact O-N 3Å; S38-V41 PolarHBondContact O-N 3.32Å; S38-V41 VanDerWaalsContact O-N 3.16Å; V41-K43 VanDerWaalsContact C-N 3.27Å; V41-K43 PolarHBondContact O-N 3.49Å; V41-Y44 CarbonylContact O-C 3.42Å; V41-Y44 PolarHBondContact O-N 3.15Å; V41-V45 HydrophobicContact CG1-CG2 4.03Å; V41-V45 VanDerWaalsContact O-CG2 3.28Å; V41-V45 WeakPolarHBondContact O-CG2 3.43Å; V41-V45 PolarHBondContact O-N 3.33Å
42E88.2Confident87.2Confident66 Ų6653.5 Ų53.531%0.30829%0.291SS..Hα-helixtrans-57.5-40.3175.4-74.2-165145.100111.7F13 S38 A46 K420F13-E42 HydrophobicContact CE2-CG 4.32Å; F13-E42 HydrophobicContact CZ-CG 3.97Å; S38-E42 PolarHBondContact O-N 3.25Å; E42-A46 VanDerWaalsContact O-CB 3.31Å; E42-A46 WeakPolarHBondContact O-CB 3.38Å; E42-A46 PolarHBondContact O-N 3.23Å; E42-K420 IonicContact OE1-NZ 2.77Å; E42-K420 PolarHBondContact OE1-NZ 3.02Å
43K88.4Confident87.1Confident58 Ų5848.9 Ų48.925%0.25228%0.276SS..Hα-helixtrans-66.3-38.1173.2-76.1177-174.4172.50113L35 T39 L40 V41 F47 F65L35-K43 HydrophobicContact CD1-CD 3.81Å; L35-K43 VanDerWaalsContact CD2-NZ 3.31Å; T39-K43 HydrophobicContact CG2-CD 4.49Å; T39-K43 WeakPolarHBondContact O-CB 3.39Å; T39-K43 WeakPolarHBondContact O-CG 3.48Å; T39-K43 PolarHBondContact O-N 3.35Å; L40-K43 PolarHBondContact O-N 3.3Å; V41-K43 VanDerWaalsContact C-N 3.27Å; V41-K43 PolarHBondContact O-N 3.49Å; K43-F47 WeakPolarHBondContact O-CB 3.48Å; K43-F47 PolarHBondContact O-N 3.17Å; K43-F65 HydrophobicContact CB-CE2 4.32Å; K43-F65 HydrophobicContact CB-CZ 4.07Å
44Y90Very high87Confident2 Ų251.1 Ų51.11%0.00830%0.295CS..Hα-helixtrans-69.4-42.6176.5-177.8-89.4000111.8L10 L15 L26 L40 V41 F47 Q48 I57 N61 V62 F65L10-Y44 HydrophobicContact CD2-CD1 4.45Å; L15-Y44 HydrophobicContact CD1-CD1 3.95Å; L15-Y44 HydrophobicContact CD1-CE1 4.05Å; L26-Y44 HydrophobicContact CD2-CD2 4.25Å; L40-Y44 PolarHBondContact O-N 3.42Å; V41-Y44 CarbonylContact O-C 3.42Å; V41-Y44 PolarHBondContact O-N 3.15Å; Y44-F47 HydrophobicContact CE2-CD1 4.34Å; Y44-F47 WeakPolarHBondContact O-CB 3.32Å; Y44-F47 PolarHBondContact O-N 2.61Å; Y44-F47 VanDerWaalsContact O-N 3.15Å; Y44-Q48 HydrophobicContact CE1-CB 4.14Å; Y44-Q48 WeakPolarHBondContact O-CB 3.46Å; Y44-Q48 PolarHBondContact O-N 2.98Å; Y44-I57 HydrophobicContact CD1-CD1 3.91Å; Y44-I57 HydrophobicContact CE1-CD1 3.37Å; Y44-I57 HydrophobicContact CE1-CG1 3.74Å; Y44-I57 HydrophobicContact CE1-CG2 4.46Å; Y44-N61 WeakPolarHBondContact OH-CB 3.42Å; Y44-V62 HydrophobicContact CE2-CG2 4.3Å; Y44-F65 HydrophobicContact CD2-CB 4.17Å; Y44-F65 AromaticContact CD2-CD1 3.76Å; Y44-F65 HydrophobicContact CD2-CD1 3.76Å; Y44-F65 HydrophobicContact CD2-CD2 4.2Å; Y44-F65 HydrophobicContact CD2-CE1 4.1Å; Y44-F65 AromaticContact CD2-CG 3.8Å; Y44-F65 HydrophobicContact CD2-CG 3.8Å; Y44-F65 HydrophobicContact CD2-CZ 4.46Å; Y44-F65 HydrophobicContact CE2-CB 4.24Å; Y44-F65 HydrophobicContact CE2-CG 4.36Å
45V88.8Confident87Confident8 Ų852.6 Ų52.65%0.04829%0.286CS..Hα-helixtrans-60.1-45.7174173.20000110.3F13 L15 V41 F47 Q48 R49F13-V45 HydrophobicContact CB-CG2 3.77Å; F13-V45 HydrophobicContact CD1-CG1 4.03Å; F13-V45 HydrophobicContact CD1-CG2 4.07Å; F13-V45 HydrophobicContact CD2-CG2 3.82Å; F13-V45 HydrophobicContact CE2-CG2 4.44Å; F13-V45 HydrophobicContact CG-CG1 4.37Å; F13-V45 HydrophobicContact CG-CG2 3.61Å; L15-V45 HydrophobicContact CD1-CG2 3.6Å; V41-V45 HydrophobicContact CG1-CG2 4.03Å; V41-V45 VanDerWaalsContact O-CG2 3.28Å; V41-V45 WeakPolarHBondContact O-CG2 3.43Å; V41-V45 PolarHBondContact O-N 3.33Å; V45-F47 VanDerWaalsContact C-N 3.3Å; V45-F47 PolarHBondContact O-N 3.31Å; V45-Q48 PolarHBondContact O-N 3.48Å; V45-R49 HydrophobicContact CG1-CG 4.47Å; V45-R49 WeakPolarHBondContact O-CB 3.47Å; V45-R49 WeakPolarHBondContact O-CG 3.35Å; V45-R49 PolarHBondContact O-N 3.32Å
46A86.2Confident86.9Confident48 Ų4858.7 Ų58.740%0.39731%0.307SS..Hα-helixtrans-60.8-38.3174.700000112E42 N50E42-A46 VanDerWaalsContact O-CB 3.31Å; E42-A46 WeakPolarHBondContact O-CB 3.38Å; E42-A46 PolarHBondContact O-N 3.23Å; A46-N50 WeakPolarHBondContact O-CB 3.16Å; A46-N50 PolarHBondContact O-N 2.65Å; A46-N50 VanDerWaalsContact O-N 3.17Å; A46-N50 PolarHBondContact O-ND2 3.02Å
47F89.5Confident86.9Confident15 Ų1554.5 Ų54.57%0.06628%0.284CS..Hα-helixtrans-67.7-47.4174169.9-102.5000112.5K43 Y44 V45 R49 N50 T51 L53 L64 F65 E68K43-F47 WeakPolarHBondContact O-CB 3.48Å; K43-F47 PolarHBondContact O-N 3.17Å; Y44-F47 HydrophobicContact CE2-CD1 4.34Å; Y44-F47 WeakPolarHBondContact O-CB 3.32Å; Y44-F47 PolarHBondContact O-N 2.61Å; Y44-F47 VanDerWaalsContact O-N 3.15Å; V45-F47 VanDerWaalsContact C-N 3.3Å; V45-F47 PolarHBondContact O-N 3.31Å; F47-R49 PolarHBondContact O-N 2.68Å; F47-N50 PolarHBondContact O-N 3.42Å; F47-T51 HydrophobicContact CD2-CG2 4.13Å; F47-T51 HydrophobicContact CE2-CG2 3.77Å; F47-T51 HydrophobicContact CZ-CG2 4.22Å; F47-T51 PolarHBondContact O-N 3.26Å; F47-T51 VanDerWaalsContact O-N 3.15Å; F47-T51 PolarHBondContact O-OG1 2.96Å; F47-L53 HydrophobicContact CD1-CD1 4.24Å; F47-L53 HydrophobicContact CE1-CD1 3.5Å; F47-L53 HydrophobicContact CZ-CD1 4.07Å; F47-L64 HydrophobicContact CE1-CB 4.42Å; F47-L64 HydrophobicContact CZ-CB 3.82Å; F47-F65 HydrophobicContact CB-CD2 3.6Å; F47-F65 HydrophobicContact CB-CE2 3.93Å; F47-F65 HydrophobicContact CD1-CB 3.71Å; F47-F65 AromaticContact CD1-CD2 3.73Å; F47-F65 HydrophobicContact CD1-CD2 3.73Å; F47-F65 HydrophobicContact CD1-CG 4.11Å; F47-F65 HydrophobicContact CD2-CD2 4.25Å; F47-F65 HydrophobicContact CE1-CB 3.69Å; F47-F65 HydrophobicContact CE1-CD2 4.49Å; F47-F65 HydrophobicContact CG-CB 4.31Å; F47-F65 AromaticContact CG-CD2 3.59Å; F47-F65 HydrophobicContact CG-CD2 3.59Å; F47-F65 HydrophobicContact CG-CE2 4.41Å; F47-F65 HydrophobicContact CG-CG 4.39Å; F47-F65 HydrophobicContact CZ-CB 4.27Å; F47-E68 HydrophobicContact CE2-CB 4.33Å
48Q89.2Confident86.8Confident17 Ų1756.2 Ų56.28%0.07930%0.296CS..Hα-helixtrans-58.5-45.5-179.8174.8-102.1-13.100111.7L15 Y44 V45 T51 D52 L53 D55L15-Q48 HydrophobicContact CD2-CG 4.45Å; Y44-Q48 HydrophobicContact CE1-CB 4.14Å; Y44-Q48 WeakPolarHBondContact O-CB 3.46Å; Y44-Q48 PolarHBondContact O-N 2.98Å; V45-Q48 PolarHBondContact O-N 3.48Å; Q48-T51 PolarHBondContact O-N 3.44Å; Q48-D52 PolarHBondContact O-N 3.32Å; Q48-D52 VanDerWaalsContact O-N 3.14Å; Q48-L53 HydrophobicContact CG-CB 3.98Å; Q48-L53 WeakPolarHBondContact CG-O 3.3Å; Q48-L53 PolarHBondContact NE2-O 3.15Å; Q48-L53 PolarHBondContact O-N 2.8Å; Q48-L53 VanDerWaalsContact O-N 3.16Å; Q48-D55 PolarHBondContact NE2-OD1 3.32Å
49R84.8Confident86.8Confident110 Ų11058.3 Ų58.342%0.41530%0.301SS..Hα-helixtrans-69.5-33.5176.9-67.2-179.6179.9-168.5-2.4113.8V45 F47 T51V45-R49 HydrophobicContact CG1-CG 4.47Å; V45-R49 WeakPolarHBondContact O-CB 3.47Å; V45-R49 WeakPolarHBondContact O-CG 3.35Å; V45-R49 PolarHBondContact O-N 3.32Å; F47-R49 PolarHBondContact O-N 2.68Å; R49-T51 PolarHBondContact O-N 3.24Å
50N84.3Confident86.8Confident127 Ų12763 Ų6368%0.67932%0.317SS*.Hα-helixtrans-76.6-8.7175.9-81.5-58.6000113.7A46 F47A46-N50 WeakPolarHBondContact O-CB 3.16Å; A46-N50 PolarHBondContact O-N 2.65Å; A46-N50 VanDerWaalsContact O-N 3.17Å; A46-N50 PolarHBondContact O-ND2 3.02Å; F47-N50 PolarHBondContact O-N 3.42Å
51T83.1Confident86.7Confident52 Ų5263.5 Ų63.532%0.31932%0.32SS..THydrogen-bonded Turntrans-126.39.7-175.5550000113.9F47 Q48 R49 L53F47-T51 HydrophobicContact CD2-CG2 4.13Å; F47-T51 HydrophobicContact CE2-CG2 3.77Å; F47-T51 HydrophobicContact CZ-CG2 4.22Å; F47-T51 PolarHBondContact O-N 3.26Å; F47-T51 VanDerWaalsContact O-N 3.15Å; F47-T51 PolarHBondContact O-OG1 2.96Å; Q48-T51 PolarHBondContact O-N 3.44Å; R49-T51 PolarHBondContact O-N 3.24Å; T51-L53 PolarHBondContact O-N 3.39Å; T51-L53 WeakPolarHBondContact OG1-CD1 3.07Å; T51-L53 WeakPolarHBondContact OG1-CG 3.19Å
52D81.8Confident86.7Confident156 Ų15663.4 Ų63.483%0.83432%0.319SS*.THydrogen-bonded Turntrans48.740.8-178.9-61.1-39.7000113.6Q48Q48-D52 PolarHBondContact O-N 3.32Å; Q48-D52 VanDerWaalsContact O-N 3.14Å
53L85.3Confident86.7Confident32 Ų3264 Ų6417%0.16832%0.323CS..  trans-82.4147.1178.7-71.5174.3000111.7F47 Q48 T51 N61F47-L53 HydrophobicContact CD1-CD1 4.24Å; F47-L53 HydrophobicContact CE1-CD1 3.5Å; F47-L53 HydrophobicContact CZ-CD1 4.07Å; Q48-L53 HydrophobicContact CG-CB 3.98Å; Q48-L53 WeakPolarHBondContact CG-O 3.3Å; Q48-L53 PolarHBondContact NE2-O 3.15Å; Q48-L53 PolarHBondContact O-N 2.8Å; Q48-L53 VanDerWaalsContact O-N 3.16Å; T51-L53 PolarHBondContact O-N 3.39Å; T51-L53 WeakPolarHBondContact OG1-CD1 3.07Å; T51-L53 WeakPolarHBondContact OG1-CG 3.19Å; L53-N61 HydrophobicContact CD1-CB 4.1Å
54P85Confident86.7Confident81 Ų8163.8 Ų63.853%0.52632%0.324SS..  trans-67.7152.6-178.729.1-36.5000112.6R56P54-R56 PolarHBondContact O-N 3Å; P54-R56 VanDerWaalsContact O-N 3.12Å
55D84.5Confident86.7Confident100 Ų10063.8 Ų63.854%0.53532%0.324SS..SBendtrans-62.4-21.4-176.9-53.6-37.7000113.8L15 V16 Q48L15-D55 WeakPolarHBondContact CA-O 3.28Å; L15-D55 HydrophobicContact CD2-CB 4.07Å; V16-D55 PolarHBondContact N-O 2.78Å; Q48-D55 PolarHBondContact NE2-OD1 3.32Å
56R86Confident86.8Confident161 Ų16165.1 Ų65.161%0.60833%0.331SS*.BIsolated β-bridgetrans-86.4111.2173.4-161.2171-171.6-1108.3110.5V16 D18 P54 S58V16-R56 CarbonylContact O-C 3.49Å; V16-R56 WeakPolarHBondContact O-CA 3.33Å; D18-R56 IonicContact OD2-CZ 3.1Å; D18-R56 IonicContact OD2-NE 2.78Å; D18-R56 PolarHBondContact OD2-NE 2.8Å; D18-R56 IonicContact OD2-NH2 2.66Å; D18-R56 PolarHBondContact OD2-NH2 3.25Å; P54-R56 PolarHBondContact O-N 3Å; P54-R56 VanDerWaalsContact O-N 3.12Å; R56-S58 PolarHBondContact O-N 2.9Å
57I87.3Confident86.8Confident8 Ų871.4 Ų71.44%0.04134%0.344CS..  trans-73.6121.7-173.9-56.3-176.6000110.2L10 L15 V16 A17 V22 Y44 V62L10-I57 HydrophobicContact CD1-CD1 3.91Å; L10-I57 HydrophobicContact CD2-CD1 3.6Å; L10-I57 HydrophobicContact CG-CD1 4.41Å; L15-I57 HydrophobicContact CB-CD1 4.27Å; L15-I57 HydrophobicContact CD1-CD1 4.39Å; V16-I57 PolarHBondContact O-N 2.68Å; A17-I57 HydrophobicContact CB-CB 4.19Å; A17-I57 HydrophobicContact CB-CD1 4.35Å; V22-I57 HydrophobicContact CG1-CB 4.2Å; V22-I57 HydrophobicContact CG1-CG2 3.43Å; V22-I57 VanDerWaalsContact CG1-CG2 3.43Å; Y44-I57 HydrophobicContact CD1-CD1 3.91Å; Y44-I57 HydrophobicContact CE1-CD1 3.37Å; Y44-I57 HydrophobicContact CE1-CG1 3.74Å; Y44-I57 HydrophobicContact CE1-CG2 4.46Å; I57-V62 HydrophobicContact CG2-CG2 3.68Å
58S86.7Confident86.6Confident47 Ų4774.3 Ų74.333%0.32936%0.358SS..  trans-102.5156.7171.586.60000111.6R56 K60 N61 V62R56-S58 PolarHBondContact O-N 2.9Å; S58-K60 PolarHBondContact O-N 2.93Å; S58-K60 PolarHBondContact OG-N 3.04Å; S58-N61 WeakPolarHBondContact O-CB 3.44Å; S58-N61 PolarHBondContact O-N 2.79Å; S58-N61 PolarHBondContact OG-N 3.01Å; S58-N61 PolarHBondContact OG-OD1 3.1Å; S58-V62 PolarHBondContact O-N 3.23Å
59Q86.6Confident86.2Confident83 Ų8374.2 Ų74.239%0.38836%0.359SS..Hα-helixtrans-54.2-37174.4-176.9-175.4-26.400112.3V22 N61 V62 E63V22-Q59 HydrophobicContact CG2-CB 4.08Å; Q59-N61 VanDerWaalsContact C-N 3.3Å; Q59-N61 PolarHBondContact O-N 2.97Å; Q59-V62 PolarHBondContact O-N 3.48Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.14Å; Q59-E63 PolarHBondContact NE2-OE1 2.91Å; Q59-E63 WeakPolarHBondContact O-CG 3.4Å; Q59-E63 PolarHBondContact O-N 3.44Å
60K86.5Confident85.9Confident148 Ų14869.6 Ų69.664%0.64334%0.343SS*.Hα-helixtrans-62.8-35.5176.7-174.8-177.2176.3-172.50112.2S58 E63 L64S58-K60 PolarHBondContact O-N 2.93Å; S58-K60 PolarHBondContact OG-N 3.04Å; K60-E63 PolarHBondContact O-N 2.83Å; K60-L64 WeakPolarHBondContact O-CG 3.3Å; K60-L64 PolarHBondContact O-N 2.93Å
61N89.1Confident85.4Confident12 Ų1266.3 Ų66.36%0.06433%0.334CS..Hα-helixtrans-67.6-43.2178-58.47.4000110.2Y44 L53 S58 Q59 E63 L64 F65Y44-N61 WeakPolarHBondContact OH-CB 3.42Å; L53-N61 HydrophobicContact CD1-CB 4.1Å; S58-N61 WeakPolarHBondContact O-CB 3.44Å; S58-N61 PolarHBondContact O-N 2.79Å; S58-N61 PolarHBondContact OG-N 3.01Å; S58-N61 PolarHBondContact OG-OD1 3.1Å; Q59-N61 VanDerWaalsContact C-N 3.3Å; Q59-N61 PolarHBondContact O-N 2.97Å; N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 PolarHBondContact O-N 3.29Å; N61-L64 PolarHBondContact O-N 3.03Å; N61-F65 WeakPolarHBondContact O-CB 3.47Å; N61-F65 PolarHBondContact O-N 3.03Å
62V89.5Confident84.7Confident0 Ų067.9 Ų67.90%034%0.336CS..Hα-helixtrans-66.9-33.4176.9-178.70000112V22 K25 L26 L29 Y44 I57 S58 Q59 F65 D66V22-V62 HydrophobicContact CG1-CG2 3.85Å; K25-V62 HydrophobicContact CB-CG1 4.34Å; K25-V62 HydrophobicContact CD-CG1 4.31Å; K25-V62 HydrophobicContact CG-CG1 3.98Å; L26-V62 HydrophobicContact CD1-CG2 4.39Å; L26-V62 HydrophobicContact CD2-CG1 3.97Å; L26-V62 HydrophobicContact CD2-CG2 4.08Å; L26-V62 HydrophobicContact CG-CG1 4.17Å; L26-V62 HydrophobicContact CG-CG2 4.05Å; L29-V62 HydrophobicContact CD1-CG1 3.75Å; Y44-V62 HydrophobicContact CE2-CG2 4.3Å; I57-V62 HydrophobicContact CG2-CG2 3.68Å; S58-V62 PolarHBondContact O-N 3.23Å; Q59-V62 PolarHBondContact O-N 3.48Å; V62-F65 WeakPolarHBondContact O-CB 3.43Å; V62-F65 PolarHBondContact O-N 3.47Å; V62-D66 PolarHBondContact O-N 3.3Å
63E87.8Confident84Confident80 Ų8063.4 Ų63.437%0.37431%0.312SS..Hα-helixtrans-70-36.3174.3-76.5170.5-173.800113.3K25 Q59 K60 N61 R67K25-E63 IonicContact NZ-OE1 3.1Å; K25-E63 PolarHBondContact NZ-OE1 3.43Å; Q59-E63 WeakPolarHBondContact CG-OE1 3.14Å; Q59-E63 PolarHBondContact NE2-OE1 2.91Å; Q59-E63 WeakPolarHBondContact O-CG 3.4Å; Q59-E63 PolarHBondContact O-N 3.44Å; K60-E63 PolarHBondContact O-N 2.83Å; N61-E63 VanDerWaalsContact C-N 3.33Å; N61-E63 PolarHBondContact O-N 3.29Å; E63-R67 WeakPolarHBondContact O-CB 3.39Å; E63-R67 PolarHBondContact O-N 3.04Å; E63-R67 VanDerWaalsContact O-N 3.16Å
64L88.5Confident82.6Confident53 Ų5367.2 Ų67.228%0.27733%0.332SS..Hα-helixtrans-65.7-42.4170.3-68.9169.2000111F47 K60 N61 R67 E68F47-L64 HydrophobicContact CE1-CB 4.42Å; F47-L64 HydrophobicContact CZ-CB 3.82Å; K60-L64 WeakPolarHBondContact O-CG 3.3Å; K60-L64 PolarHBondContact O-N 2.93Å; N61-L64 PolarHBondContact O-N 3.03Å; L64-R67 PolarHBondContact O-N 3.32Å; L64-E68 WeakPolarHBondContact O-CB 3.12Å; L64-E68 PolarHBondContact O-N 2.98Å
65F90.7Very high81Confident1 Ų168.2 Ų68.20%0.00434%0.337CS..Hα-helixtrans-60.1-48.2176.9175.9-121.3000112.7L26 L29 W33 L40 K43 Y44 F47 N61 V62 T69L26-F65 HydrophobicContact CD2-CD1 4.43Å; L26-F65 HydrophobicContact CD2-CE1 4.41Å; L29-F65 HydrophobicContact CD1-CD1 4.1Å; L29-F65 HydrophobicContact CD1-CE1 4.48Å; W33-F65 HydrophobicContact CH2-CD1 4.15Å; W33-F65 AromaticContact CH2-CE1 3.84Å; W33-F65 HydrophobicContact CH2-CE1 3.84Å; W33-F65 HydrophobicContact CH2-CZ 4.2Å; W33-F65 HydrophobicContact CZ3-CD1 4.3Å; W33-F65 AromaticContact CZ3-CE1 3.55Å; W33-F65 HydrophobicContact CZ3-CE1 3.55Å; W33-F65 AromaticContact CZ3-CZ 3.77Å; W33-F65 HydrophobicContact CZ3-CZ 3.77Å; L40-F65 HydrophobicContact CD1-CE1 4.17Å; K43-F65 HydrophobicContact CB-CE2 4.32Å; K43-F65 HydrophobicContact CB-CZ 4.07Å; Y44-F65 HydrophobicContact CD2-CB 4.17Å; Y44-F65 AromaticContact CD2-CD1 3.76Å; Y44-F65 HydrophobicContact CD2-CD1 3.76Å; Y44-F65 HydrophobicContact CD2-CD2 4.2Å; Y44-F65 HydrophobicContact CD2-CE1 4.1Å; Y44-F65 AromaticContact CD2-CG 3.8Å; Y44-F65 HydrophobicContact CD2-CG 3.8Å; Y44-F65 HydrophobicContact CD2-CZ 4.46Å; Y44-F65 HydrophobicContact CE2-CB 4.24Å; Y44-F65 HydrophobicContact CE2-CG 4.36Å; F47-F65 HydrophobicContact CB-CD2 3.6Å; F47-F65 HydrophobicContact CB-CE2 3.93Å; F47-F65 HydrophobicContact CD1-CB 3.71Å; F47-F65 AromaticContact CD1-CD2 3.73Å; F47-F65 HydrophobicContact CD1-CD2 3.73Å; F47-F65 HydrophobicContact CD1-CG 4.11Å; F47-F65 HydrophobicContact CD2-CD2 4.25Å; F47-F65 HydrophobicContact CE1-CB 3.69Å; F47-F65 HydrophobicContact CE1-CD2 4.49Å; F47-F65 HydrophobicContact CG-CB 4.31Å; F47-F65 AromaticContact CG-CD2 3.59Å; F47-F65 HydrophobicContact CG-CD2 3.59Å; F47-F65 HydrophobicContact CG-CE2 4.41Å; F47-F65 HydrophobicContact CG-CG 4.39Å; F47-F65 HydrophobicContact CZ-CB 4.27Å; N61-F65 WeakPolarHBondContact O-CB 3.47Å; N61-F65 PolarHBondContact O-N 3.03Å; V62-F65 WeakPolarHBondContact O-CB 3.43Å; V62-F65 PolarHBondContact O-N 3.47Å; F65-T69 WeakPolarHBondContact CD2-OG1 3.47Å; F65-T69 HydrophobicContact CE2-CG2 4.46Å; F65-T69 WeakPolarHBondContact CE2-OG1 3.48Å; F65-T69 WeakPolarHBondContact O-CB 3.22Å; F65-T69 PolarHBondContact O-N 3.07Å; F65-T69 PolarHBondContact O-OG1 3.17Å
66D90.8Very high79.3Confident37 Ų3768 Ų6820%0.19834%0.344CS..Hα-helixtrans-58.2-52.2174.4179.610.6000110.7L29 R32 V62 E68 T69 S70L29-D66 HydrophobicContact CD1-CB 3.99Å; L29-D66 HydrophobicContact CD2-CB 3.78Å; L29-D66 VanDerWaalsContact CD2-CG 3.46Å; R32-D66 IonicContact CZ-OD1 2.71Å; R32-D66 IonicContact NH1-OD1 3.79Å; R32-D66 PolarHBondContact NH1-OD1 3.28Å; R32-D66 IonicContact NH1-OD2 3.1Å; R32-D66 PolarHBondContact NH1-OD2 3.17Å; V62-D66 PolarHBondContact O-N 3.3Å; D66-E68 VanDerWaalsContact C-N 3.33Å; D66-E68 PolarHBondContact O-N 3.41Å; D66-T69 PolarHBondContact O-N 2.95Å; D66-S70 WeakPolarHBondContact O-CB 3.4Å; D66-S70 PolarHBondContact O-N 2.92Å; D66-S70 PolarHBondContact O-OG 3.16Å; D66-S70 PolarHBondContact OD1-OG 3.23Å
67R86.3Confident77.2Confident179 Ų17969.2 Ų69.268%0.67535%0.353SS*.Hα-helixtrans-58.4-44-176.3-172.1-176.768.2177.21.8112.4E63 L64 A71E63-R67 WeakPolarHBondContact O-CB 3.39Å; E63-R67 PolarHBondContact O-N 3.04Å; E63-R67 VanDerWaalsContact O-N 3.16Å; L64-R67 PolarHBondContact O-N 3.32Å; R67-A71 WeakPolarHBondContact O-CB 3.16Å; R67-A71 PolarHBondContact O-N 2.91Å
68E84.1Confident74.8Confident76 Ų7673.6 Ų73.636%0.35538%0.384SS..Hα-helixtrans-78.4-35.7-178.5-166.5176.2141.900112.7F47 L64 D66 K72F47-E68 HydrophobicContact CE2-CB 4.33Å; L64-E68 WeakPolarHBondContact O-CB 3.12Å; L64-E68 PolarHBondContact O-N 2.98Å; D66-E68 VanDerWaalsContact C-N 3.33Å; D66-E68 PolarHBondContact O-N 3.41Å; E68-K72 WeakPolarHBondContact O-CG 3.41Å; E68-K72 PolarHBondContact O-N 3.41Å; E68-K72 WeakPolarHBondContact OE1-CE 3.31Å; E68-K72 IonicContact OE1-NZ 2.67Å; E68-K72 PolarHBondContact OE1-NZ 3.38Å
69T81.4Confident72.4Confident16 Ų1682.9 Ų82.910%0.09841%0.412CS..Hα-helixtrans-78.6-42.5-177.7-54.80000111.7W33 F65 D66 A71 K72 L73W33-T69 HydrophobicContact CE3-CG2 4.46Å; W33-T69 HydrophobicContact CH2-CG2 3.66Å; W33-T69 HydrophobicContact CZ2-CG2 3.99Å; W33-T69 HydrophobicContact CZ3-CG2 3.91Å; F65-T69 WeakPolarHBondContact CD2-OG1 3.47Å; F65-T69 HydrophobicContact CE2-CG2 4.46Å; F65-T69 WeakPolarHBondContact CE2-OG1 3.48Å; F65-T69 WeakPolarHBondContact O-CB 3.22Å; F65-T69 PolarHBondContact O-N 3.07Å; F65-T69 PolarHBondContact O-OG1 3.17Å; D66-T69 PolarHBondContact O-N 2.95Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 2.9Å; T69-K72 WeakPolarHBondContact O-CA 3.32Å; T69-K72 WeakPolarHBondContact O-CB 3.48Å; T69-K72 PolarHBondContact O-N 3.38Å; T69-L73 HydrophobicContact CG2-CD1 3.65Å; T69-L73 VanDerWaalsContact O-CD1 3.28Å; T69-L73 WeakPolarHBondContact O-CD1 3.35Å; T69-L73 PolarHBondContact O-N 3.36Å
70S79.1Confident69.9Low13 Ų1385 Ų859%0.09143%0.431CS..Hα-helixtrans-57.9-43.6172.9-73.30000111.4R32 W33 D66 K72 L73 D74R32-S70 PolarHBondContact NH2-OG 3.07Å; W33-S70 PolarHBondContact NE1-OG 2.66Å; D66-S70 WeakPolarHBondContact O-CB 3.4Å; D66-S70 PolarHBondContact O-N 2.92Å; D66-S70 PolarHBondContact O-OG 3.16Å; D66-S70 PolarHBondContact OD1-OG 3.23Å; S70-K72 VanDerWaalsContact C-N 3.28Å; S70-K72 PolarHBondContact O-N 3.18Å; S70-L73 PolarHBondContact O-N 3.21Å; S70-L73 VanDerWaalsContact O-N 3.14Å; S70-D74 PolarHBondContact O-N 2.63Å
71A73.3Confident67.4Low58 Ų5884.2 Ų84.248%0.47944%0.441SS..Hα-helixtrans-60.2-35.4174.400000113.1R67 T69 T75R67-A71 WeakPolarHBondContact O-CB 3.16Å; R67-A71 PolarHBondContact O-N 2.91Å; T69-A71 VanDerWaalsContact C-N 3.32Å; T69-A71 PolarHBondContact O-N 2.9Å; A71-T75 WeakPolarHBondContact O-CG2 2.93Å; A71-T75 PolarHBondContact O-OG1 3.19Å
72K69Low64.9Low84 Ų8493.6 Ų93.637%0.36548%0.481SS..Hα-helixtrans-71.8-35.5175.1-71.8167.6-173.9172.30112.4E68 T69 S70 T75 S76E68-K72 WeakPolarHBondContact O-CG 3.41Å; E68-K72 PolarHBondContact O-N 3.41Å; E68-K72 WeakPolarHBondContact OE1-CE 3.31Å; E68-K72 IonicContact OE1-NZ 2.67Å; E68-K72 PolarHBondContact OE1-NZ 3.38Å; T69-K72 WeakPolarHBondContact O-CA 3.32Å; T69-K72 WeakPolarHBondContact O-CB 3.48Å; T69-K72 PolarHBondContact O-N 3.38Å; S70-K72 VanDerWaalsContact C-N 3.28Å; S70-K72 PolarHBondContact O-N 3.18Å; K72-T75 PolarHBondContact O-OG1 2.75Å; K72-S76 PolarHBondContact O-OG 3.45Å
73L66.7Low62.1Low62 Ų6298.7 Ų98.733%0.32552%0.517SS..Hα-helixtrans-75.3-38.4177.1-88.8100.2000113.6T69 S70 T75 S76T69-L73 HydrophobicContact CG2-CD1 3.65Å; T69-L73 VanDerWaalsContact O-CD1 3.28Å; T69-L73 WeakPolarHBondContact O-CD1 3.35Å; T69-L73 PolarHBondContact O-N 3.36Å; S70-L73 PolarHBondContact O-N 3.21Å; S70-L73 VanDerWaalsContact O-N 3.14Å; L73-T75 VanDerWaalsContact C-N 3.34Å; L73-T75 PolarHBondContact O-N 3.31Å; L73-S76 WeakPolarHBondContact O-CB 3.45Å; L73-S76 PolarHBondContact O-N 3.27Å; L73-S76 VanDerWaalsContact O-N 3.15Å; L73-S76 PolarHBondContact O-OG 3.3Å; L73-S76 VanDerWaalsContact O-OG 3.09Å
74D55.3Low59.7Low112 Ų112103.7 Ų103.760%0.59954%0.54SS*.Hα-helixtrans-69-32.9-178-75.3-31.3000112.4S70 S76 K77S70-D74 PolarHBondContact O-N 2.63Å; D74-S76 PolarHBondContact O-N 3.04Å; D74-K77 PolarHBondContact O-N 3.37Å
75T52.4Low56.8Low103 Ų103107.2 Ų107.263%0.63256%0.564SS**G310 helixtrans-65.5-15.1174.154.80000113.8A71 K72 L73A71-T75 WeakPolarHBondContact O-CG2 2.93Å; A71-T75 PolarHBondContact O-OG1 3.19Å; K72-T75 PolarHBondContact O-OG1 2.75Å; L73-T75 VanDerWaalsContact C-N 3.34Å; L73-T75 PolarHBondContact O-N 3.31Å
76S48.6Very low54Low96 Ų96113.7 Ų113.767%0.67160%0.603SS**G310 helixtrans-80.6-15.9179.3-32.60000113.9K72 L73 D74K72-S76 PolarHBondContact O-OG 3.45Å; L73-S76 WeakPolarHBondContact O-CB 3.45Å; L73-S76 PolarHBondContact O-N 3.27Å; L73-S76 VanDerWaalsContact O-N 3.15Å; L73-S76 PolarHBondContact O-OG 3.3Å; L73-S76 VanDerWaalsContact O-OG 3.09Å; D74-S76 PolarHBondContact O-N 3.04Å
77K42.7Very low51Low186 Ų186121.8 Ų121.881%0.80964%0.637SS**G310 helixtrans-98.91.3-173.7-70.6-179.2178.2173.50114.8D74D74-K77 PolarHBondContact O-N 3.37Å
78S36.7Very low48.5Very low99 Ų99117.9 Ų117.969%0.69264%0.637SS**  trans-144.588.6-175.7-176.60000112.2
79R36.3Very low46Very low242 Ų242119 Ų11991%0.91366%0.66SS**  trans-163.9107.4160-117.2164.6176.2-173.9-3.9113.5
80T34.2Very low43.8Very low129 Ų129127 Ų12779%0.79169%0.693SS**  trans-84.9148.9158.545.70000109.7K82T80-K82 PolarHBondContact O-N 3.33Å
81P33.7Very low41.8Very low131 Ų131132.2 Ų132.285%0.85173%0.729SS**  trans-83.4121.9-170.531.4-33.6000112.1
82K36.3Very low40.1Very low208 Ų208135.8 Ų135.890%0.90474%0.739SS**  trans-132.5134.5153.5-77.5-168.2176.1179.90110.2T80T80-K82 PolarHBondContact O-N 3.33Å
83S30.3Very low38.6Very low108 Ų108134.9 Ų134.976%0.75574%0.738SS**  trans-62136.1-175.251.30000113.3
84H36.5Very low37.9Very low185 Ų185136.2 Ų136.286%0.85675%0.749SS**  trans-157.9137.3132.1-109.2-71.5000111
85V27.8Very low37.6Very low127 Ų127137.3 Ų137.377%0.7775%0.748SS**  trans-79.5123.7179.7175.10000110.3
86T32.7Very low37.6Very low137 Ų137136.3 Ų136.384%0.8474%0.739SS**  trans-138.7128.2157.437.20000109.8
87K28.5Very low37.6Very low206 Ų206133 Ų13390%0.89671%0.713SS**  trans-79121.5-178.3-64.9-179176.7-175.50110.2
88S33.3Very low38.1Very low97 Ų97128.1 Ų128.168%0.67870%0.696SS**  trans-156.995.8165.3171.60000109.9K90S88-K90 PolarHBondContact O-N 3.06Å
89A30.9Very low38.9Very low101 Ų101130 Ų13084%0.83569%0.694SS**  trans-6711716900000109.6
90K35.1Very low39.6Very low184 Ų184122.8 Ų122.880%0.867%0.671SS**  trans-173.5131.4168-102.7147.3-170.9-176.40110.5S88S88-K90 PolarHBondContact O-N 3.06Å
91S36.6Very low40.4Very low121 Ų121118.1 Ų118.185%0.84664%0.64SS**  trans60.284.9163173.10000117.1
92L39.1Very low41.2Very low133 Ų133117.9 Ų117.970%0.69663%0.63SS**  trans-121.8-16.8170.3-87.8163.5000115.7
93L37.5Very low42.2Very low65 Ų65112 Ų11234%0.3461%0.611SS.*Hα-helixtrans-82.1-22.2-156-109.486.3000119N458L93-N458 HydrophobicContact CD2-CB 3.82Å
94T51.2Low43.1Very low91 Ų91108.3 Ų108.356%0.55859%0.587SS**Hα-helixtrans-103.6-22.6-172.846.90000115.8
95K49.2Very low43.8Very low134 Ų134104.1 Ų104.158%0.58357%0.568SS**Hα-helixtrans-78-36.2177.7-87.4-168.8172.7-1720113.4Q99K95-Q99 PolarHBondContact O-N 3.39Å
96N53Low44.7Very low82 Ų82100.6 Ų100.644%0.43955%0.552SS.*Hα-helixtrans-69.3-41.7-178.9-75.613.6000111.2L98 Q99 E100N96-L98 PolarHBondContact O-N 2.94Å; N96-Q99 CarbonylContact O-C 3.55Å; N96-Q99 PolarHBondContact O-N 3.44Å; N96-E100 WeakPolarHBondContact O-CB 3.18Å; N96-E100 WeakPolarHBondContact O-CG 3.27Å; N96-E100 PolarHBondContact O-N 2.95Å
97M48.4Very low45.3Very low26 Ų2696.4 Ų96.413%0.12853%0.528CS..Hα-helixtrans-57.2-44.4179.4-71.5-176.864.400113.7Q99 E100 L101 F413 S459M97-Q99 VanDerWaalsContact C-N 3.3Å; M97-Q99 PolarHBondContact O-N 3.17Å; M97-E100 PolarHBondContact O-N 3.05Å; M97-L101 WeakPolarHBondContact O-CB 3.45Å; M97-L101 WeakPolarHBondContact O-CD1 3.4Å; M97-L101 VanDerWaalsContact O-CG 3.23Å; M97-L101 WeakPolarHBondContact O-CG 3.28Å; M97-L101 PolarHBondContact O-N 3.27Å; M97-F413 HydrophobicContact CE-CD1 4.43Å; M97-F413 HydrophobicContact CE-CE1 3.82Å; M97-F413 HydrophobicContact CE-CZ 4.47Å; M97-S459 PolarHBondContact SD-OG 3.24Å
98L51.9Low46Very low85 Ų8589.4 Ų89.445%0.44551%0.505SS..Hα-helixtrans-66.6-35.2178.1-159.776.9000111.5N96 M102N96-L98 PolarHBondContact O-N 2.94Å; L98-M102 VanDerWaalsContact O-CG 3.3Å; L98-M102 WeakPolarHBondContact O-CG 3.49Å; L98-M102 PolarHBondContact O-N 2.92Å; L98-M102 VanDerWaalsContact O-N 3.16Å
99Q54.4Low46.5Very low138 Ų13889.7 Ų89.765%0.64550%0.499SS*.Hα-helixtrans-77.5-34.6179.5-169.6147.63.600112.6K95 N96 M97 M102 V103K95-Q99 PolarHBondContact O-N 3.39Å; N96-Q99 CarbonylContact O-C 3.55Å; N96-Q99 PolarHBondContact O-N 3.44Å; M97-Q99 VanDerWaalsContact C-N 3.3Å; M97-Q99 PolarHBondContact O-N 3.17Å; Q99-M102 PolarHBondContact O-N 2.93Å; Q99-V103 VanDerWaalsContact O-CG2 3.28Å; Q99-V103 WeakPolarHBondContact O-CG2 3.33Å; Q99-V103 PolarHBondContact O-N 3.22Å
100E51.8Low47.1Very low91 Ų9190.9 Ų90.943%0.42549%0.487SS..Hα-helixtrans-67.5-39.2171.4-76.5168.3-154.300111.5N96 M97 V103 A104N96-E100 WeakPolarHBondContact O-CB 3.18Å; N96-E100 WeakPolarHBondContact O-CG 3.27Å; N96-E100 PolarHBondContact O-N 2.95Å; M97-E100 PolarHBondContact O-N 3.05Å; E100-V103 PolarHBondContact O-N 2.95Å; E100-A104 VanDerWaalsContact O-CB 3.28Å; E100-A104 WeakPolarHBondContact O-CB 3.31Å; E100-A104 PolarHBondContact O-N 3.14Å
101L50.4Low47.5Very low30 Ų3090.6 Ų90.616%0.15748%0.481CS..Hα-helixtrans-60.6-45.6172.2-76.1166.2000111.8M97 V103 A104 E105 F413M97-L101 WeakPolarHBondContact O-CB 3.45Å; M97-L101 WeakPolarHBondContact O-CD1 3.4Å; M97-L101 VanDerWaalsContact O-CG 3.23Å; M97-L101 WeakPolarHBondContact O-CG 3.28Å; M97-L101 PolarHBondContact O-N 3.27Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.4Å; L101-A104 PolarHBondContact O-N 3.47Å; L101-E105 PolarHBondContact O-N 3.21Å; L101-F413 HydrophobicContact CD2-CB 4.21Å
102M50.8Low47.9Very low127 Ų12789.9 Ų89.963%0.62647%0.467SS*.Hα-helixtrans-64.6-32.4175.5-70.7179.471.300113.2L98 Q99 A106L98-M102 VanDerWaalsContact O-CG 3.3Å; L98-M102 WeakPolarHBondContact O-CG 3.49Å; L98-M102 PolarHBondContact O-N 2.92Å; L98-M102 VanDerWaalsContact O-N 3.16Å; Q99-M102 PolarHBondContact O-N 2.93Å; M102-A106 PolarHBondContact O-N 2.94Å
103V56.2Low48.1Very low83 Ų8389.1 Ų89.150%0.50346%0.464SS..Hα-helixtrans-76.6-37175.3169.40000111.4Q99 E100 L101 A106 C107Q99-V103 VanDerWaalsContact O-CG2 3.28Å; Q99-V103 WeakPolarHBondContact O-CG2 3.33Å; Q99-V103 PolarHBondContact O-N 3.22Å; E100-V103 PolarHBondContact O-N 2.95Å; L101-V103 VanDerWaalsContact C-N 3.32Å; L101-V103 PolarHBondContact O-N 3.4Å; V103-A106 PolarHBondContact O-N 2.85Å; V103-C107 WeakPolarHBondContact O-CB 3.41Å; V103-C107 PolarHBondContact O-N 2.77Å
104A50.1Low48.3Very low32 Ų3292.2 Ų92.226%0.26448%0.48SS..Hα-helixtrans-65.6-39.6177.400000112.1E100 L101 C107 S108E100-A104 VanDerWaalsContact O-CB 3.28Å; E100-A104 WeakPolarHBondContact O-CB 3.31Å; E100-A104 PolarHBondContact O-N 3.14Å; L101-A104 PolarHBondContact O-N 3.47Å; A104-C107 PolarHBondContact O-N 3.04Å; A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 3.26Å
105E50.4Low47.7Very low97 Ų9792 Ų9245%0.45348%0.482SS..Hα-helixtrans-62-52.2171.6-80.7161.2-167.300110.9L101 C107 S108 D109 R417L101-E105 PolarHBondContact O-N 3.21Å; E105-C107 VanDerWaalsContact C-N 3.26Å; E105-C107 PolarHBondContact O-N 3.2Å; E105-S108 WeakPolarHBondContact O-CB 3.22Å; E105-S108 PolarHBondContact O-N 3.4Å; E105-D109 PolarHBondContact O-N 3.37Å; E105-D109 VanDerWaalsContact O-N 3.09Å; E105-R417 IonicContact OE1-CZ 3.87Å; E105-R417 IonicContact OE1-NE 2.65Å; E105-R417 IonicContact OE1-NH2 3.3Å; E105-R417 PolarHBondContact OE1-NH2 3.2Å
106A47Very low47.3Very low53 Ų5389.3 Ų89.344%0.43848%0.48SS..Hα-helixtrans-59.3-32.5178.200000114M102 V103 Q110M102-A106 PolarHBondContact O-N 2.94Å; V103-A106 PolarHBondContact O-N 2.85Å; A106-Q110 WeakPolarHBondContact O-CG 3.49Å; A106-Q110 PolarHBondContact O-N 3.08Å
107C45.7Very low46.5Very low48 Ų4895.1 Ų95.132%0.32450%0.497SS..Hα-helixtrans-84.1-19.1175.4-75.10000114.3V103 A104 E105 R111V103-C107 WeakPolarHBondContact O-CB 3.41Å; V103-C107 PolarHBondContact O-N 2.77Å; A104-C107 PolarHBondContact O-N 3.04Å; E105-C107 VanDerWaalsContact C-N 3.26Å; E105-C107 PolarHBondContact O-N 3.2Å; C107-R111 WeakPolarHBondContact O-CD 3.41Å; C107-R111 VanDerWaalsContact O-CG 3.3Å; C107-R111 WeakPolarHBondContact O-CG 3.25Å; C107-R111 PolarHBondContact O-N 3.23Å
108S43.7Very low45.8Very low59 Ų5997.1 Ų97.141%0.41353%0.525SS..Hα-helixtrans-70.5-55.3170.4-160.30000109.4A104 E105 Q110 R111 D112A104-S108 WeakPolarHBondContact O-CB 3.47Å; A104-S108 PolarHBondContact O-N 3.26Å; E105-S108 WeakPolarHBondContact O-CB 3.22Å; E105-S108 PolarHBondContact O-N 3.4Å; S108-Q110 PolarHBondContact O-N 3.33Å; S108-Q110 VanDerWaalsContact O-N 3.16Å; S108-R111 PolarHBondContact O-N 2.87Å; S108-D112 PolarHBondContact O-N 3.07Å; S108-D112 VanDerWaalsContact O-N 3.08Å
109D43Very low44.9Very low104 Ų104100 Ų10056%0.55655%0.545SS*.Hα-helixtrans-57.5-36.5-177.7-61.6-13.5000112.2E105 L113E105-D109 PolarHBondContact O-N 3.37Å; E105-D109 VanDerWaalsContact O-N 3.09Å; D109-L113 WeakPolarHBondContact O-CB 3.2Å; D109-L113 PolarHBondContact O-N 2.91Å
110Q43.8Very low43.8Very low125 Ų12598.1 Ų98.158%0.58455%0.547SS*.Hα-helixtrans-71-32.6174.8-75.6-168.4-5000113.9A106 S108 L114A106-Q110 WeakPolarHBondContact O-CG 3.49Å; A106-Q110 PolarHBondContact O-N 3.08Å; S108-Q110 PolarHBondContact O-N 3.33Å; S108-Q110 VanDerWaalsContact O-N 3.16Å; Q110-L114 WeakPolarHBondContact O-CB 3.28Å; Q110-L114 WeakPolarHBondContact O-CD1 3.44Å; Q110-L114 PolarHBondContact O-N 2.81Å
111R43.5Very low42.9Very low179 Ų179101.6 Ų101.668%0.67556%0.561SS**Hα-helixtrans-75.3-35.9179.3-78.2174.2179.51520.8112C107 S108 L114 S115C107-R111 WeakPolarHBondContact O-CD 3.41Å; C107-R111 VanDerWaalsContact O-CG 3.3Å; C107-R111 WeakPolarHBondContact O-CG 3.25Å; C107-R111 PolarHBondContact O-N 3.23Å; S108-R111 PolarHBondContact O-N 2.87Å; R111-L114 PolarHBondContact O-N 2.88Å; R111-S115 WeakPolarHBondContact O-CB 3.39Å; R111-S115 PolarHBondContact O-N 2.84Å; R111-S115 PolarHBondContact O-OG 2.96Å
112D44.5Very low42Very low105 Ų105106.6 Ų106.656%0.56158%0.584SS**Hα-helixtrans-72.4-31.1174.4-66.2-39.1000112.2S108 S115S108-D112 PolarHBondContact O-N 3.07Å; S108-D112 VanDerWaalsContact O-N 3.08Å; D112-S115 PolarHBondContact O-OG 2.95Å; D112-S115 VanDerWaalsContact O-OG 3.08Å
113L43.1Very low41.1Very low118 Ų118107.5 Ų107.562%0.61859%0.59SS**Hα-helixtrans-67.1-39.2166.9-85162.9000112.9D109 S116D109-L113 WeakPolarHBondContact O-CB 3.2Å; D109-L113 PolarHBondContact O-N 2.91Å; L113-S116 PolarHBondContact O-OG 3.39Å
114L42.9Very low40Very low130 Ų130110.7 Ų110.768%0.68160%0.603SS**Hα-helixtrans-76.1-29.6-179.4-88.2154.7000113.9Q110 R111 S116 Y117Q110-L114 WeakPolarHBondContact O-CB 3.28Å; Q110-L114 WeakPolarHBondContact O-CD1 3.44Å; Q110-L114 PolarHBondContact O-N 2.81Å; R111-L114 PolarHBondContact O-N 2.88Å; L114-S116 PolarHBondContact O-N 3.34Å; L114-Y117 PolarHBondContact O-N 3.02Å
115S37.8Very low39.3Very low86 Ų86114.6 Ų114.660%0.60163%0.626SS**Hα-helixtrans-68.4-24.1175.969.50000112.7R111 D112 Y117R111-S115 WeakPolarHBondContact O-CB 3.39Å; R111-S115 PolarHBondContact O-N 2.84Å; R111-S115 PolarHBondContact O-OG 2.96Å; D112-S115 PolarHBondContact O-OG 2.95Å; D112-S115 VanDerWaalsContact O-OG 3.08Å; S115-Y117 PolarHBondContact O-N 3.45Å
116S41.7Very low38.3Very low78 Ų78117.1 Ų117.155%0.54565%0.647SS.*THydrogen-bonded Turntrans-71.1-10.717776.80000115.1L113 L114L113-S116 PolarHBondContact O-OG 3.39Å; L114-S116 PolarHBondContact O-N 3.34Å
117Y35.6Very low37.5Very low204 Ų204119.9 Ų119.980%0.866%0.664SS**SBendtrans-119.461-178-70.9-82.9000112.7L114 S115L114-Y117 PolarHBondContact O-N 3.02Å; S115-Y117 PolarHBondContact O-N 3.45Å
118G34.6Very low36.7Very low68 Ų68123.6 Ų123.670%0.70169%0.685SS**  trans-137.7122.9-177.500000115.9
119V31.3Very low36.3Very low144 Ų144125.9 Ų125.987%0.87371%0.707SS**  trans-119.6136.5-167.8163.50000109.5
120S32.5Very low35.7Very low99 Ų99131.5 Ų131.569%0.69272%0.721SS**  cis-163.4-174.214-149.70000113.1
121K33.4Very low35.3Very low164 Ų164133.3 Ų133.371%0.71373%0.733SS**  trans72.3142.2152.8-79.4-168174.3-142.20120.1
122E29.6Very low34.9Very low135 Ų135131.7 Ų131.763%0.63174%0.737SS**  cis-165.8163.8-11.3-152.9161.2-113.800110.1
123L33.2Very low34.3Very low146 Ų146132.4 Ų132.476%0.76475%0.747SS**  trans80.4135.9169.3-44.7168.1000118.6
124I32.8Very low33.9Very low150 Ų150132.3 Ų132.377%0.76976%0.756SS**  cis-159.4154.7-23.1-115.7166.9000108.2
125P34.2Very low33.3Very low115 Ų115133.8 Ų133.875%0.74777%0.765SS**  trans-118.7158.2-159.141.1-31.4000117.9
126V30.2Very low33.3Very low149 Ų149139.5 Ų139.590%0.90378%0.779SS**  trans-157137.1164.2-175.80000108.3
127S29.9Very low32.7Very low112 Ų112144.1 Ų144.178%0.78379%0.792SS**  cis-153.5159.3-20.9-176.50000108.8
128T30Very low32.4Very low126 Ų126141.8 Ų141.877%0.77379%0.793SS**  trans-86.8151.1-171.737.10000115.2
129A35.2Very low32.2Very low106 Ų106147.1 Ų147.188%0.87680%0.8SS**  trans-134134.9142.600000109
130R29Very low32.2Very low223 Ų223145.9 Ų145.984%0.84279%0.794SS**  trans-96.9155.2-168.3-62.4167.6173.2169.3-4.1112
131L35.3Very low31.9Very low163 Ų163150.3 Ų150.385%0.85380%0.804SS**  trans-158.395.4133.1-100.9170.6000111.2
132I35.7Very low31.8Very low145 Ų145149.8 Ų149.874%0.74481%0.808SS**  trans38.7128.5135-55.1176.5000119.7
133P33.1Very low31.8Very low120 Ų120150.1 Ų150.178%0.77981%0.809SS**  trans-96162.8-172.539.2-36.8000115.2
134S33.9Very low31.8Very low116 Ų116146.1 Ų146.181%0.81179%0.794SS**  trans-143.1133.9159.258.90000111.8
135N30.7Very low32.4Very low160 Ų160149.9 Ų149.986%0.85680%0.798SS**  trans-60.6139.4-171.5-54.8-19.4000113.6
136K36.8Very low32.7Very low206 Ų206152.3 Ų152.390%0.89680%0.799SS**  trans-154.3149.9138.5-111.2173.3-175.4-173.10110.7
137E29.6Very low33.7Very low175 Ų175149 Ų14982%0.81878%0.78SS**  trans-92.4151.5-165.7-61.5154.4130.300112
138N29.2Very low36Very low155 Ų155147.4 Ų147.483%0.82976%0.76SS**  trans51.687.3155.3-58.3-18.7000119
139E29.9Very low38.8Very low181 Ų181144.7 Ų144.785%0.84674%0.74SS**  trans-138.3150.6140.5-78.6-156.7155.900109.3
140P31Very low41.4Very low117 Ų117142 Ų14276%0.7671%0.711SS**  trans-69.5134.717430.1-33.4000109.9I142P140-I142 PolarHBondContact O-N 3.29Å
141E27.2Very low44.3Very low192 Ų192132.5 Ų132.590%0.89768%0.68SS**  trans-63.1110.7178.2-70.1-174.614100110.3E143E141-E143 PolarHBondContact O-N 3.3Å
142I30.5Very low47Very low153 Ų153126 Ų12679%0.78565%0.648SS**  trans-67.1103.8165.6-60.6173.1000106.5P140 S144P140-I142 PolarHBondContact O-N 3.29Å; I142-S144 PolarHBondContact O-N 2.7Å
143E31Very low49.6Very low142 Ų142121.3 Ų121.366%0.66462%0.622SS**  trans-51.4116.5166.6-83.4-158.1129.800108.5E141 R145E141-E143 PolarHBondContact O-N 3.3Å; E143-R145 PolarHBondContact O-N 3.01Å
144S33.6Very low52.1Low63 Ų63118.1 Ų118.144%0.44160%0.601SS.*  trans-64.5136.1-176.856.10000109.4I142 E146 T147I142-S144 PolarHBondContact O-N 2.7Å; S144-E146 PolarHBondContact O-N 2.82Å; S144-T147 PolarHBondContact O-N 3.43Å; S144-T147 PolarHBondContact O-OG1 2.98Å
145R43.5Very low54Low229 Ų229117.4 Ų117.486%0.86460%0.596SS**THydrogen-bonded Turntrans-53.2-14.1-176.9-74.4179.8170.4179.4-3.3115.1E143E143-R145 PolarHBondContact O-N 3.01Å
146E41.5Very low55.5Low165 Ų165117.9 Ų117.977%0.77159%0.593SS**THydrogen-bonded Turntrans-71.9-31173.6-65.9-178137.500113.6S144 Q148 L149S144-E146 PolarHBondContact O-N 2.82Å; E146-Q148 PolarHBondContact O-N 2.88Å; E146-L149 PolarHBondContact O-N 3.19Å
147T51.7Low56.6Low79 Ų79109 Ų10949%0.48556%0.556SS.*THydrogen-bonded Turntrans-66.8-19.5-179.257.40000113.3S144S144-T147 PolarHBondContact O-N 3.43Å; S144-T147 PolarHBondContact O-OG1 2.98Å
148Q78Confident57.7Low80 Ų80105 Ų10537%0.37454%0.543SS..THydrogen-bonded Turntrans-86.3-14.3179.7-64.5-178.9-4.300113.5E146 K673 R674E146-Q148 PolarHBondContact O-N 2.88Å; Q148-K673 CarbonylContact O-C 3.54Å; Q148-K673 VanDerWaalsContact O-CA 3.26Å; Q148-K673 WeakPolarHBondContact O-CA 3.42Å; Q148-R674 PolarHBondContact O-N 3.29Å
149L88Confident58.7Low68 Ų6899.7 Ų99.736%0.35652%0.521SS..EExtended strand (participates in β ladder)trans-87.4119-175.5-173.764.5000112E146 A151 L671E146-L149 PolarHBondContact O-N 3.19Å; L149-A151 WeakPolarHBondContact CD1-O 3.36Å; L149-L671 HydrophobicContact CD1-CB 3.95Å; L149-L671 HydrophobicContact CD1-CD2 3.88Å; L149-L671 HydrophobicContact CD1-CG 4.35Å
150I90.3Very high59.5Low50 Ų5094.5 Ų94.526%0.25651%0.505SS..EExtended strand (participates in β ladder)trans-95-40.1-179.5-60.5174.3000111.8Q602 I672 R674I150-Q602 HydrophobicContact CG2-CB 4.11Å; I150-I672 HydrophobicContact CB-CG2 4.3Å; I150-I672 WeakPolarHBondContact CB-O 3.46Å; I150-I672 PolarHBondContact N-O 3.15Å; I150-R674 HydrophobicContact CD1-CB 3.99Å; I150-R674 HydrophobicContact CG1-CB 4.27Å
151A90.9Very high60.1Low23 Ų2394.8 Ų94.819%0.1950%0.499CS..EExtended strand (participates in β ladder)trans-156.515017800000110.6L149 I672L149-A151 WeakPolarHBondContact CD1-O 3.36Å; A151-I672 HydrophobicContact CB-CB 4.24Å; A151-I672 HydrophobicContact CB-CD1 4.28Å; A151-I672 HydrophobicContact CB-CG1 4.39Å; A151-I672 PolarHBondContact N-O 3.31Å; A151-I672 PolarHBondContact O-N 3.22Å
152S91.9Very high61.2Low28 Ų2886.1 Ų86.120%0.19646%0.459CS..EExtended strand (participates in β ladder)trans-129.4154.4175.148.80000110.9S155 V670S152-S155 WeakPolarHBondContact OG-CA 3.09Å; S152-S155 PolarHBondContact OG-O 2.8Å; S152-V670 CarbonylContact C-O 3.54Å; S152-V670 WeakPolarHBondContact CA-O 3.42Å
153Y90.2Very high61.9Low46 Ų4682.8 Ų82.818%0.1845%0.448CS..EExtended strand (participates in β ladder)trans-142.3131.4168.2-177.1-92.1000110.3V604 N606 L611 C665 S669 V670Y153-V604 HydrophobicContact CD1-CG1 4.27Å; Y153-V604 HydrophobicContact CD2-CG1 4.04Å; Y153-V604 HydrophobicContact CG-CB 4.4Å; Y153-V604 HydrophobicContact CG-CG1 3.63Å; Y153-N606 HydrophobicContact CE2-CB 4.48Å; Y153-L611 HydrophobicContact CD1-CD1 3.78Å; Y153-L611 HydrophobicContact CD1-CD2 4.3Å; Y153-L611 HydrophobicContact CD2-CD1 4.36Å; Y153-L611 HydrophobicContact CE1-CD1 3.66Å; Y153-L611 HydrophobicContact CE1-CD2 4.48Å; Y153-L611 HydrophobicContact CE2-CD1 4.27Å; Y153-L611 HydrophobicContact CG-CD1 4.14Å; Y153-C665 HydrophobicContact CE1-CB 4.37Å; Y153-C665 WeakPolarHBondContact OH-CB 3.43Å; Y153-S669 CarbonylContact O-C 3.5Å; Y153-S669 WeakPolarHBondContact O-CA 3.34Å; Y153-V670 PolarHBondContact N-O 3.45Å; Y153-V670 PolarHBondContact O-N 2.79Å
154P85.5Confident62.3Low52 Ų5282.8 Ų82.834%0.33845%0.452SS..SBendcis-47.4157.2-25.1-27.835.7000112.5E156 V157P154-E156 PolarHBondContact O-N 3.29Å; P154-V157 HydrophobicContact CB-CG2 4.34Å; P154-V157 HydrophobicContact CG-CG2 4.42Å; P154-V157 WeakPolarHBondContact O-CG2 3.33Å; P154-V157 PolarHBondContact O-N 3.36Å; P154-V157 VanDerWaalsContact O-N 3.11Å
155S73.3Confident62.8Low102 Ų10281.2 Ų81.271%0.71345%0.446SS*.THydrogen-bonded Turntrans-56.1-27-173.9-510000113.8S152S152-S155 WeakPolarHBondContact OG-CA 3.09Å; S152-S155 PolarHBondContact OG-O 2.8Å
156E61.5Low63.2Low169 Ų16973.3 Ų73.379%0.7942%0.421SS*.THydrogen-bonded Turntrans-88.71.1-174.8-62.7173.3-173.600114.1P154 V158P154-E156 PolarHBondContact O-N 3.29Å; E156-V158 PolarHBondContact O-N 2.96Å
157V60.7Low63.5Low19 Ų1970.6 Ų70.612%0.11542%0.415CS..  trans-68.8104.6-179.9178.70000110.8P154 I162 L671P154-V157 HydrophobicContact CB-CG2 4.34Å; P154-V157 HydrophobicContact CG-CG2 4.42Å; P154-V157 WeakPolarHBondContact O-CG2 3.33Å; P154-V157 PolarHBondContact O-N 3.36Å; P154-V157 VanDerWaalsContact O-N 3.11Å; V157-I162 HydrophobicContact CG1-CD1 4.01Å; V157-I162 HydrophobicContact CG1-CG1 4.14Å; V157-L671 HydrophobicContact CG1-CD2 4.33Å
158V52.2Low63.5Low92 Ų9270.3 Ų70.356%0.55841%0.411SS*.  trans-69.9129.6167.7-170.20000108.9E156 S160 L161E156-V158 PolarHBondContact O-N 2.96Å; V158-S160 WeakPolarHBondContact CG1-OG 3.49Å; V158-S160 PolarHBondContact O-N 2.95Å; V158-L161 WeakPolarHBondContact O-CB 3.17Å; V158-L161 PolarHBondContact O-N 2.95Å
159A51.1Low62.5Low43 Ų4377 Ų7736%0.35544%0.439SS..G310 helixtrans-58.3-18.7-174.600000114.9L161 I162 L671A159-L161 VanDerWaalsContact C-N 3.26Å; A159-L161 PolarHBondContact O-N 3.45Å; A159-I162 PolarHBondContact O-N 3.08Å; A159-L671 HydrophobicContact CB-CD1 3.78Å
160S45.5Very low61.6Low73 Ų7376.4 Ų76.451%0.5144%0.436SS..G310 helixtrans-65.9-23.4174.753.70000114.2V158 I162V158-S160 WeakPolarHBondContact CG1-OG 3.49Å; V158-S160 PolarHBondContact O-N 2.95Å; S160-I162 VanDerWaalsContact C-N 3.28Å; S160-I162 PolarHBondContact O-N 2.96Å
161L43.6Very low60.9Low122 Ų12279.2 Ų79.264%0.63945%0.451SS*.G310 helixtrans-72.5-21.2179.8-70.6166.5000113V158 A159V158-L161 WeakPolarHBondContact O-CB 3.17Å; V158-L161 PolarHBondContact O-N 2.95Å; A159-L161 VanDerWaalsContact C-N 3.26Å; A159-L161 PolarHBondContact O-N 3.45Å
162I51.1Low60.5Low11 Ų1178.8 Ų78.86%0.05645%0.445CS..THydrogen-bonded Turntrans-84.5-34.1-168.3-55.5-162.6000112.6V157 A159 S160 E629 V631 L671V157-I162 HydrophobicContact CG1-CD1 4.01Å; V157-I162 HydrophobicContact CG1-CG1 4.14Å; A159-I162 PolarHBondContact O-N 3.08Å; S160-I162 VanDerWaalsContact C-N 3.28Å; S160-I162 PolarHBondContact O-N 2.96Å; I162-E629 WeakPolarHBondContact CG2-OE1 3.44Å; I162-V631 HydrophobicContact CG2-CB 3.94Å; I162-V631 HydrophobicContact CG2-CG1 4.4Å; I162-V631 HydrophobicContact CG2-CG2 3.31Å; I162-L671 HydrophobicContact CD1-CD1 3.5Å; I162-L671 HydrophobicContact CD1-CD2 4.21Å; I162-L671 HydrophobicContact CD1-CG 3.55Å; I162-L671 HydrophobicContact CG1-CD1 4.47Å
163C44Very low60.4Low83 Ų8380 Ų8056%0.56145%0.451SS*.SBendtrans-79.3-17.2-177.7-58.30000114.1G165C163-G165 PolarHBondContact O-N 2.85Å
164N40Very low60.4Low141 Ų14178.1 Ų78.175%0.75445%0.445SS*.THydrogen-bonded Turntrans-92.576-171.6-71.3-13.4000111.8
165G43.7Very low60.8Low30 Ų3079.4 Ų79.431%0.30945%0.452SS..THydrogen-bonded Turntrans157.613.8172.800000117.2C163 T167C163-G165 PolarHBondContact O-N 2.85Å; G165-T167 PolarHBondContact O-N 3.06Å; G165-T167 VanDerWaalsContact O-N 3.17Å
166I53.4Low61.7Low64 Ų6477.2 Ų77.233%0.32843%0.431SS..  trans-85.883.8178.9-57.3173.4000108.7H393I166-H393 HydrophobicContact CD1-CB 4.32Å; I166-H393 WeakPolarHBondContact CD1-ND1 3.32Å
167T47.1Very low63Low107 Ų10771 Ų7166%0.65640%0.404SS*.  trans-126.7-8.8-174.849.90000115.8G165G165-T167 PolarHBondContact O-N 3.06Å; G165-T167 VanDerWaalsContact O-N 3.17Å
168D52.4Low63.6Low73 Ų7371.1 Ų71.139%0.3940%0.404SS..  trans-101.1125.9-162.9-53.4-26000112.3I170D168-I170 HydrophobicContact CB-CD1 3.86Å; D168-I170 HydrophobicContact CB-CG1 3.97Å; D168-I170 PolarHBondContact O-N 2.73Å
169F56.8Low64Low222 Ų22272.9 Ų72.997%0.97442%0.415SS*.  trans-73.759.4175.6-81-93.7000111.9
170I68.4Low64.4Low54 Ų5472.6 Ų72.628%0.27742%0.417SS..  trans-93.8133.3178.3-62.2171.3000109.6D168 W172 S389D168-I170 HydrophobicContact CB-CD1 3.86Å; D168-I170 HydrophobicContact CB-CG1 3.97Å; D168-I170 PolarHBondContact O-N 2.73Å; I170-W172 HydrophobicContact CB-CZ2 4.16Å; I170-W172 HydrophobicContact CD1-CZ2 4.06Å; I170-W172 HydrophobicContact CG2-CD2 3.94Å; I170-W172 HydrophobicContact CG2-CE3 4.28Å; I170-W172 HydrophobicContact CG2-CH2 4.17Å; I170-W172 HydrophobicContact CG2-CZ2 3.81Å; I170-W172 HydrophobicContact CG2-CZ3 4.39Å; I170-W172 PolarHBondContact O-N 3.03Å; I170-S389 VanDerWaalsContact CD1-C 3.43Å; I170-S389 WeakPolarHBondContact CD1-O 3.47Å
171D75Confident65.1Low110 Ų11075.3 Ų75.359%0.58843%0.43SS*.  trans-78.988.9177.4-171.34.3000112T173 R470D171-T173 PolarHBondContact O-N 2.86Å; D171-T173 PolarHBondContact OD1-N 3.44Å; D171-T173 PolarHBondContact OD1-OG1 2.85Å; D171-T173 PolarHBondContact OD2-OG1 2.97Å; D171-R470 IonicContact OD1-CZ 3.24Å; D171-R470 VanDerWaalsContact OD1-CZ 3.3Å; D171-R470 IonicContact OD1-NE 3.86Å; D171-R470 PolarHBondContact OD1-NE 2.85Å; D171-R470 IonicContact OD1-NH2 2.69Å; D171-R470 PolarHBondContact OD1-NH2 2.81Å; D171-R470 IonicContact OD2-NH2 2.68Å
172W83.4Confident66Low14 Ų1472.8 Ų72.85%0.05342%0.415CS..  trans-75.946173.8-59.1115.4000113.6I170 P174 L392 H425 V426 R470 I520I170-W172 HydrophobicContact CB-CZ2 4.16Å; I170-W172 HydrophobicContact CD1-CZ2 4.06Å; I170-W172 HydrophobicContact CG2-CD2 3.94Å; I170-W172 HydrophobicContact CG2-CE3 4.28Å; I170-W172 HydrophobicContact CG2-CH2 4.17Å; I170-W172 HydrophobicContact CG2-CZ2 3.81Å; I170-W172 HydrophobicContact CG2-CZ3 4.39Å; I170-W172 PolarHBondContact O-N 3.03Å; W172-P174 WeakPolarHBondContact O-CD 3.34Å; W172-L392 HydrophobicContact CB-CD1 4.14Å; W172-L392 HydrophobicContact CD2-CB 4.24Å; W172-L392 HydrophobicContact CD2-CD1 3.67Å; W172-L392 HydrophobicContact CD2-CG 4.38Å; W172-L392 HydrophobicContact CE3-CB 4.27Å; W172-L392 HydrophobicContact CE3-CD1 3.98Å; W172-L392 HydrophobicContact CE3-CD2 4.15Å; W172-L392 HydrophobicContact CE3-CG 4.36Å; W172-L392 HydrophobicContact CG-CD1 3.75Å; W172-L392 HydrophobicContact CH2-CB 3.85Å; W172-L392 HydrophobicContact CZ2-CB 3.8Å; W172-L392 HydrophobicContact CZ3-CB 4.08Å; W172-L392 HydrophobicContact CZ3-CD2 4.23Å; W172-H425 AromaticContact CD1-CD2 3.62Å; W172-H425 AromaticContact CD1-CG 3.69Å; W172-H425 HydrophobicContact CG-CB 4.46Å; W172-H425 AromaticContact NE1-CD2 3.82Å; W172-H425 AromaticContact NE1-CG 3.96Å; W172-H425 AromaticContact NE1-NE2 3.91Å; W172-V426 HydrophobicContact CB-CG2 4.36Å; W172-R470 WeakPolarHBondContact O-CD 3.46Å; W172-I520 HydrophobicContact CB-CG2 4.12Å; W172-I520 HydrophobicContact CE3-CG2 4.12Å
173T88.5Confident66.2Low54 Ų5474.1 Ų74.133%0.33143%0.432SS..  trans-67.6122.6177.8-73.70000111.1D171 R470D171-T173 PolarHBondContact O-N 2.86Å; D171-T173 PolarHBondContact OD1-N 3.44Å; D171-T173 PolarHBondContact OD1-OG1 2.85Å; D171-T173 PolarHBondContact OD2-OG1 2.97Å; T173-R470 PolarHBondContact OG1-NH1 3.4Å; T173-R470 PolarHBondContact OG1-NH2 3.37Å
174P91.2Very high66.8Low6 Ų676.7 Ų76.74%0.03944%0.44CS..  trans-77.1137.6-179.631.8-35.6000112W172 I472 H510 F518 Q519 I520W172-P174 WeakPolarHBondContact O-CD 3.34Å; P174-I472 HydrophobicContact CB-CD1 3.58Å; P174-I472 HydrophobicContact CB-CG1 4.43Å; P174-I472 HydrophobicContact CG-CD1 3.79Å; P174-I472 HydrophobicContact CG-CG1 4.1Å; P174-H510 HydrophobicContact CG-CB 4.47Å; P174-H510 VanDerWaalsContact CG-CD2 3.49Å; P174-H510 WeakPolarHBondContact CG-CD2 3.49Å; P174-F518 HydrophobicContact CB-CD1 4.12Å; P174-Q519 WeakPolarHBondContact CA-O 3.44Å; P174-I520 HydrophobicContact CB-CG1 4.09Å
175T93.2Very high68.2Low79 Ų7973.2 Ų73.249%0.48542%0.416SS..EExtended strand (participates in β ladder)trans-113.5124.3175.4-60.20000109.9L177 F518 Q519T175-L177 PolarHBondContact O-N 3.47Å; T175-F518 CarbonylContact O-C 3.41Å; T175-F518 WeakPolarHBondContact O-CA 3.49Å; T175-Q519 PolarHBondContact N-O 2.99Å; T175-Q519 PolarHBondContact O-N 2.91Å
176L92.3Very high69.1Low55 Ų5579.7 Ų79.729%0.28843%0.432SS..EExtended strand (participates in β ladder)trans-76.9121.7175.2-178.665.5000109.7P513 C516 F518L176-P513 HydrophobicContact CD2-CG 4.44Å; L176-C516 HydrophobicContact CD1-CB 3.8Å; L176-F518 HydrophobicContact CB-CD1 4.19Å; L176-F518 HydrophobicContact CB-CE1 3.67Å; L176-F518 HydrophobicContact CB-CZ 4.14Å; L176-F518 HydrophobicContact CD1-CD1 4.33Å; L176-F518 HydrophobicContact CD1-CD2 4.21Å; L176-F518 HydrophobicContact CD1-CE1 3.9Å; L176-F518 HydrophobicContact CD1-CE2 3.78Å; L176-F518 HydrophobicContact CD1-CG 4.47Å; L176-F518 HydrophobicContact CD1-CZ 3.6Å; L176-F518 HydrophobicContact CG-CE1 4.35Å; L176-F518 HydrophobicContact CG-CZ 4.36Å
177L90.3Very high69.9Low40 Ų4086 Ų8621%0.20946%0.463CS..  trans-87.8-18.1176.6-58.1-176.1000112.9T175 T179 L517 Q519 V524 V589T175-L177 PolarHBondContact O-N 3.47Å; L177-T179 PolarHBondContact O-N 3.37Å; L177-L517 HydrophobicContact CB-CB 3.99Å; L177-L517 WeakPolarHBondContact CB-O 3.49Å; L177-L517 HydrophobicContact CD1-CB 4.45Å; L177-L517 PolarHBondContact N-O 3.18Å; L177-Q519 HydrophobicContact CD1-CB 4.19Å; L177-Q519 HydrophobicContact CD2-CB 4.02Å; L177-Q519 HydrophobicContact CG-CB 4.12Å; L177-V524 HydrophobicContact CD1-CG1 3.79Å; L177-V524 HydrophobicContact CD1-CG2 4.08Å; L177-V589 HydrophobicContact CD1-CG2 4.04Å
178T72.9Confident71.5Confident20 Ų2086.4 Ų86.412%0.12346%0.461CS..  trans-72.991.2173-52.90000109.5P513 L517 Y584T178-P513 HydrophobicContact CG2-CG 4.47Å; T178-L517 PolarHBondContact OG1-N 3.2Å; T178-L517 VanDerWaalsContact OG1-N 3.15Å; T178-Y584 HydrophobicContact CG2-CD1 3.91Å
179T59.8Low73Confident129 Ų12985.1 Ų85.179%0.79145%0.452SS*.  trans-97.7118.8178.855.50000111.6L177L177-T179 PolarHBondContact O-N 3.37Å
180G60.5Low74.5Confident38 Ų3880.2 Ų80.239%0.39243%0.432SS..  trans-176.814617000000110.7H182G180-H182 PolarHBondContact O-N 3.09Å
181T58.6Low75.5Confident129 Ų12983.3 Ų83.379%0.79145%0.454SS*.  trans-72109.9168.149.80000107.8G183 Y584T181-G183 VanDerWaalsContact C-N 3.32Å; T181-G183 PolarHBondContact O-N 3.17Å; T181-Y584 VanDerWaalsContact C-OH 3.32Å; T181-Y584 PolarHBondContact O-OH 3.16Å
182H63.6Low76.3Confident70 Ų7083.9 Ų83.932%0.32446%0.457SS..  trans-55.998.4172.2-60-68.9000108.8G180 P489 P490 Y584G180-H182 PolarHBondContact O-N 3.09Å; H182-P489 HydrophobicContact CB-CB 4.18Å; H182-P490 VanDerWaalsContact CD2-CD 3.44Å; H182-P490 WeakPolarHBondContact CD2-CD 3.44Å; H182-P490 WeakPolarHBondContact NE2-CD 3.37Å; H182-Y584 AromaticContact CE1-CE1 3.86Å; H182-Y584 AromaticContact ND1-CE1 3.8Å
183G55.3Low76.6Confident39 Ų3987.6 Ų87.640%0.40247%0.474SS..  trans-77179.9-167.800000112.4T181 R185T181-G183 VanDerWaalsContact C-N 3.32Å; T181-G183 PolarHBondContact O-N 3.17Å; G183-R185 PolarHBondContact O-N 3.15Å
184N56.9Low76.8Confident136 Ų13686 Ų8673%0.72746%0.464SS*.  trans-54.5114.8172.9-67.4-22.7000109.9Y186N184-Y186 HydrophobicContact CB-CE2 4.45Å; N184-Y186 WeakPolarHBondContact O-CD2 3.5Å; N184-Y186 WeakPolarHBondContact O-CE2 3.4Å; N184-Y186 PolarHBondContact O-N 3.31Å
185R68.6Low76.8Confident68 Ų6887.6 Ų87.626%0.25748%0.477SS..  trans-68.5120.9171.9-66.2-177.8167.5-106-28.4108.9G183 D483 V485 P487 P489 L580G183-R185 PolarHBondContact O-N 3.15Å; R185-D483 WeakPolarHBondContact CD-OD1 3.49Å; R185-D483 VanDerWaalsContact CZ-CG 3.48Å; R185-D483 IonicContact CZ-OD1 3.42Å; R185-D483 IonicContact CZ-OD2 3.19Å; R185-D483 IonicContact NE-OD1 2.93Å; R185-D483 PolarHBondContact NE-OD1 3.38Å; R185-D483 VanDerWaalsContact NE-OD1 3.1Å; R185-D483 IonicContact NE-OD2 2.77Å; R185-D483 PolarHBondContact NE-OD2 2.89Å; R185-D483 IonicContact NH1-OD1 3.92Å; R185-D483 PolarHBondContact NH1-OD1 2.87Å; R185-D483 VanDerWaalsContact NH1-OD1 3.1Å; R185-V485 PolarHBondContact NH1-O 3.44Å; R185-P487 PolarHBondContact NH1-O 3.4Å; R185-P487 PolarHBondContact NH2-O 3.44Å; R185-P489 VanDerWaalsContact NH2-CD 3.31Å; R185-L580 HydrophobicContact CG-CD1 4.23Å
186Y62.5Low76.8Confident166 Ų16688.3 Ų88.365%0.65148%0.475SS*.  trans-95103.7172.6-62.2-76.2000108.7N184 N188N184-Y186 HydrophobicContact CB-CE2 4.45Å; N184-Y186 WeakPolarHBondContact O-CD2 3.5Å; N184-Y186 WeakPolarHBondContact O-CE2 3.4Å; N184-Y186 PolarHBondContact O-N 3.31Å; Y186-N188 PolarHBondContact O-N 3.15Å; Y186-N188 VanDerWaalsContact O-N 3.08Å
187M70.2Confident76.8Confident198 Ų19886.7 Ų86.798%0.97547%0.467SS*.SBendtrans-59-19.6175.9-71.2-179.270.700113.4
188N82.1Confident77Confident114 Ų11485.4 Ų85.461%0.6146%0.46SS*.SBendtrans-102.2126.4172.1-178.633.6000109.6Y186Y186-N188 PolarHBondContact O-N 3.15Å; Y186-N188 VanDerWaalsContact O-N 3.08Å
189Q83.4Confident77.9Confident46 Ų4685.1 Ų85.122%0.21546%0.458CS..  trans-113.4126.1-179.5-53.8-144.6-42.400111T191 N194 D577Q189-T191 PolarHBondContact O-N 3.2Å; Q189-N194 WeakPolarHBondContact CB-ND2 3.3Å; Q189-N194 PolarHBondContact OE1-ND2 3.48Å; Q189-D577 VanDerWaalsContact NE2-CA 3.28Å; Q189-D577 PolarHBondContact NE2-OD1 3.33Å; Q189-D577 PolarHBondContact NE2-OD2 2.98Å; Q189-D577 VanDerWaalsContact NE2-OD2 3.09Å
190H88.8Confident79.6Confident119 Ų11981.2 Ų81.255%0.55143%0.432SS*.  trans-76.8120.7179.4-70.4-75.3000110.6L192 E193 N194H190-L192 PolarHBondContact O-N 2.82Å; H190-E193 HydrophobicContact CB-CB 4.13Å; H190-E193 WeakPolarHBondContact O-CB 3.49Å; H190-E193 PolarHBondContact O-N 3.49Å; H190-N194 PolarHBondContact O-N 2.92Å
191T89.5Confident81.2Confident120 Ų12080.5 Ų80.574%0.73642%0.417SS*.Hα-helixtrans-52.9-35.7-177.7-44.10000113.3Q189 A195Q189-T191 PolarHBondContact O-N 3.2Å; T191-A195 VanDerWaalsContact O-CB 3.23Å; T191-A195 WeakPolarHBondContact O-CB 3.25Å; T191-A195 PolarHBondContact O-N 2.93Å
192L90.4Very high83Confident122 Ų12274.4 Ų74.464%0.63938%0.38SS*.Hα-helixtrans-66.6-41.3178-178.761.6000112.5H190 A195 E196H190-L192 PolarHBondContact O-N 2.82Å; L192-A195 PolarHBondContact O-N 2.93Å; L192-E196 WeakPolarHBondContact O-CB 3.42Å; L192-E196 PolarHBondContact O-N 3.05Å
193E91.1Very high84.4Confident91 Ų9172.5 Ų72.543%0.42537%0.37SS..Hα-helixtrans-67.7-49.1178.1-179.7177.2-166.100110.3H190 A195 E196 I197H190-E193 HydrophobicContact CB-CB 4.13Å; H190-E193 WeakPolarHBondContact O-CB 3.49Å; H190-E193 PolarHBondContact O-N 3.49Å; E193-A195 VanDerWaalsContact C-N 3.28Å; E193-A195 PolarHBondContact O-N 3.03Å; E193-E196 PolarHBondContact O-N 2.83Å; E193-I197 HydrophobicContact CG-CD1 4.01Å; E193-I197 WeakPolarHBondContact O-CG1 3.45Å; E193-I197 PolarHBondContact O-N 3.09Å
194N91.8Very high86.3Confident22 Ų2275.3 Ų75.312%0.11837%0.372CS..Hα-helixtrans-54.5-46.6174-67.88.3000111.1Q189 H190 E196 I197 I198 Y578Q189-N194 WeakPolarHBondContact CB-ND2 3.3Å; Q189-N194 PolarHBondContact OE1-ND2 3.48Å; H190-N194 PolarHBondContact O-N 2.92Å; N194-E196 VanDerWaalsContact C-N 3.32Å; N194-E196 PolarHBondContact O-N 3.39Å; N194-I197 PolarHBondContact O-N 3.02Å; N194-I198 VanDerWaalsContact O-CD1 3.3Å; N194-I198 WeakPolarHBondContact O-CD1 3.44Å; N194-I198 VanDerWaalsContact O-CG1 3.24Å; N194-I198 WeakPolarHBondContact O-CG1 3.17Å; N194-I198 PolarHBondContact O-N 2.91Å; N194-I198 VanDerWaalsContact O-N 3.11Å; N194-Y578 HydrophobicContact CB-CD2 3.93Å; N194-Y578 HydrophobicContact CB-CG 3.96Å; N194-Y578 WeakPolarHBondContact ND2-CD2 3.22Å
195A91Very high88.1Confident38 Ų3869 Ų6931%0.31434%0.339SS..Hα-helixtrans-68.9-27.3178.500000113.3T191 L192 E193 D199 R322T191-A195 VanDerWaalsContact O-CB 3.23Å; T191-A195 WeakPolarHBondContact O-CB 3.25Å; T191-A195 PolarHBondContact O-N 2.93Å; L192-A195 PolarHBondContact O-N 2.93Å; E193-A195 VanDerWaalsContact C-N 3.28Å; E193-A195 PolarHBondContact O-N 3.03Å; A195-D199 PolarHBondContact O-N 3.18Å; A195-D199 VanDerWaalsContact O-N 3.15Å; A195-R322 PolarHBondContact O-NH2 3.25Å
196E92.6Very high89.3Confident95 Ų9565.8 Ų65.844%0.44433%0.327SS..Hα-helixtrans-74.7-42.8174.8176.6169.3178.700111.2L192 E193 N194 I198 D199 N200 R322L192-E196 WeakPolarHBondContact O-CB 3.42Å; L192-E196 PolarHBondContact O-N 3.05Å; E193-E196 PolarHBondContact O-N 2.83Å; N194-E196 VanDerWaalsContact C-N 3.32Å; N194-E196 PolarHBondContact O-N 3.39Å; E196-I198 VanDerWaalsContact C-N 3.28Å; E196-I198 PolarHBondContact O-N 3.41Å; E196-D199 PolarHBondContact O-N 3.14Å; E196-N200 WeakPolarHBondContact O-CB 3.45Å; E196-N200 PolarHBondContact O-N 2.88Å; E196-N200 PolarHBondContact O-ND2 3.46Å; E196-R322 VanDerWaalsContact N-NH2 3.17Å
197I93.9Very high90.8Very high20 Ų2060.4 Ų60.410%0.10331%0.307CS..Hα-helixtrans-54-46.4172.1-74.4161.1000110.9E193 N194 N200 W201 P579 W581E193-I197 HydrophobicContact CG-CD1 4.01Å; E193-I197 WeakPolarHBondContact O-CG1 3.45Å; E193-I197 PolarHBondContact O-N 3.09Å; N194-I197 PolarHBondContact O-N 3.02Å; I197-N200 PolarHBondContact O-N 3.21Å; I197-W201 PolarHBondContact O-N 2.83Å; I197-P579 HydrophobicContact CD1-CB 4.25Å; I197-P579 HydrophobicContact CD1-CG 3.82Å; I197-W581 HydrophobicContact CG2-CE3 3.87Å; I197-W581 HydrophobicContact CG2-CZ3 3.75Å
198I93.3Very high91.9Very high13 Ų1353.9 Ų53.97%0.06727%0.271CS..Hα-helixtrans-66.4-44.3178-63157.6000111.6N194 E196 N200 W201 T202 R279 H568 Y578N194-I198 VanDerWaalsContact O-CD1 3.3Å; N194-I198 WeakPolarHBondContact O-CD1 3.44Å; N194-I198 VanDerWaalsContact O-CG1 3.24Å; N194-I198 WeakPolarHBondContact O-CG1 3.17Å; N194-I198 PolarHBondContact O-N 2.91Å; N194-I198 VanDerWaalsContact O-N 3.11Å; E196-I198 VanDerWaalsContact C-N 3.28Å; E196-I198 PolarHBondContact O-N 3.41Å; I198-N200 VanDerWaalsContact C-N 3.32Å; I198-N200 PolarHBondContact O-N 3.33Å; I198-W201 PolarHBondContact O-N 2.86Å; I198-T202 WeakPolarHBondContact O-CB 3.47Å; I198-T202 PolarHBondContact O-N 3.36Å; I198-T202 PolarHBondContact O-OG1 2.71Å; I198-R279 VanDerWaalsContact CG2-CZ 3.45Å; I198-H568 VanDerWaalsContact CD1-CD2 3.48Å; I198-H568 WeakPolarHBondContact CD1-CD2 3.21Å; I198-H568 WeakPolarHBondContact CD1-NE2 3.32Å; I198-Y578 HydrophobicContact CD1-CD1 4.01Å; I198-Y578 HydrophobicContact CD1-CE1 3.68Å; I198-Y578 HydrophobicContact CG1-CD1 4.01Å; I198-Y578 HydrophobicContact CG1-CE1 4Å
199D93.3Very high92.4Very high15 Ų1548.7 Ų48.78%0.0824%0.244CC..Hα-helixtrans-62-40.5176.7-172.289.2000111.1A195 E196 T202 W203 R322 R323A195-D199 PolarHBondContact O-N 3.18Å; A195-D199 VanDerWaalsContact O-N 3.15Å; E196-D199 PolarHBondContact O-N 3.14Å; D199-T202 PolarHBondContact O-N 3.17Å; D199-W203 VanDerWaalsContact O-CB 3.23Å; D199-W203 WeakPolarHBondContact O-CB 3.5Å; D199-W203 PolarHBondContact O-N 3.5Å; D199-R322 WeakPolarHBondContact OD1-CG 3.37Å; D199-R322 PolarHBondContact OD1-N 2.99Å; D199-R323 IonicContact OD2-CZ 2.7Å; D199-R323 IonicContact OD2-NH1 3.7Å; D199-R323 PolarHBondContact OD2-NH1 2.94Å
200N94.4Very high92.9Very high47 Ų4746.6 Ų46.625%0.25123%0.234SC..Hα-helixtrans-62.1-52175.8-69.1-19000111.8E196 I197 I198 T202 W203 E204 R323E196-N200 WeakPolarHBondContact O-CB 3.45Å; E196-N200 PolarHBondContact O-N 2.88Å; E196-N200 PolarHBondContact O-ND2 3.46Å; I197-N200 PolarHBondContact O-N 3.21Å; I198-N200 VanDerWaalsContact C-N 3.32Å; I198-N200 PolarHBondContact O-N 3.33Å; N200-T202 VanDerWaalsContact C-N 3.3Å; N200-T202 PolarHBondContact O-N 2.84Å; N200-W203 WeakPolarHBondContact O-CB 3.26Å; N200-W203 PolarHBondContact O-N 3.36Å; N200-E204 WeakPolarHBondContact O-CG 3.3Å; N200-E204 PolarHBondContact O-N 2.86Å; N200-R323 PolarHBondContact OD1-NH1 3.34Å; N200-R323 PolarHBondContact OD1-NH2 3.25Å
201W94.7Very high92.9Very high22 Ų2243.5 Ų43.58%0.08323%0.226CC..Hα-helixtrans-60.2-39.7178173.978.8000112.7I197 I198 T205 P354 P566 W581 Q586I197-W201 PolarHBondContact O-N 2.83Å; I198-W201 PolarHBondContact O-N 2.86Å; W201-T205 WeakPolarHBondContact O-CB 3.27Å; W201-T205 PolarHBondContact O-N 3.17Å; W201-T205 VanDerWaalsContact O-N 3.1Å; W201-T205 PolarHBondContact O-OG1 3.28Å; W201-T205 VanDerWaalsContact O-OG1 3.13Å; W201-P354 HydrophobicContact CE3-CG 3.92Å; W201-P354 HydrophobicContact CH2-CG 3.91Å; W201-P354 HydrophobicContact CZ2-CG 4.47Å; W201-P354 HydrophobicContact CZ3-CG 3.59Å; W201-P566 HydrophobicContact CH2-CB 3.98Å; W201-P566 HydrophobicContact CZ2-CB 3.99Å; W201-W581 HydrophobicContact CB-CH2 3.95Å; W201-W581 HydrophobicContact CB-CZ3 4.21Å; W201-W581 AromaticContact CD1-CH2 3.97Å; W201-W581 AromaticContact CD2-CH2 3.59Å; W201-W581 HydrophobicContact CD2-CH2 3.59Å; W201-W581 HydrophobicContact CD2-CZ2 4.16Å; W201-W581 AromaticContact CE2-CH2 3.97Å; W201-W581 AromaticContact CE3-CH2 3.96Å; W201-W581 HydrophobicContact CE3-CH2 3.96Å; W201-W581 AromaticContact CG-CH2 3.58Å; W201-W581 HydrophobicContact CG-CH2 3.58Å; W201-W581 HydrophobicContact CG-CZ2 4.42Å; W201-W581 HydrophobicContact CG-CZ3 4.29Å; W201-W581 HydrophobicContact CZ2-CZ2 4.38Å; W201-Q586 VanDerWaalsContact CD1-OE1 3.32Å; W201-Q586 VanDerWaalsContact NE1-OE1 3.11Å
202T94.8Very high92.9Very high1 Ų142.9 Ų42.91%0.00622%0.218CC..Hα-helixtrans-64.8-45.8175.5-47.30000110.5I198 D199 N200 T205 I206 R279 L321 P354I198-T202 WeakPolarHBondContact O-CB 3.47Å; I198-T202 PolarHBondContact O-N 3.36Å; I198-T202 PolarHBondContact O-OG1 2.71Å; D199-T202 PolarHBondContact O-N 3.17Å; N200-T202 VanDerWaalsContact C-N 3.3Å; N200-T202 PolarHBondContact O-N 2.84Å; T202-T205 PolarHBondContact O-N 2.99Å; T202-I206 VanDerWaalsContact O-CG1 3.28Å; T202-I206 WeakPolarHBondContact O-CG1 3.46Å; T202-I206 PolarHBondContact O-N 3.44Å; T202-R279 HydrophobicContact CG2-CB 4.05Å; T202-R279 HydrophobicContact CG2-CG 4.3Å; T202-R279 WeakPolarHBondContact OG1-CD 3.36Å; T202-L321 HydrophobicContact CG2-CD2 3.58Å; T202-P354 HydrophobicContact CG2-CB 3.64Å; T202-P354 HydrophobicContact CG2-CG 3.94Å
203W94.3Very high92.8Very high31 Ų3137.5 Ų37.512%0.11719%0.19CC..Hα-helixtrans-60.9-46.9177.9-179.5-107.4000113.1D199 N200 T205 I206 K207 T260 L263 L321 R323 V324D199-W203 VanDerWaalsContact O-CB 3.23Å; D199-W203 WeakPolarHBondContact O-CB 3.5Å; D199-W203 PolarHBondContact O-N 3.5Å; N200-W203 WeakPolarHBondContact O-CB 3.26Å; N200-W203 PolarHBondContact O-N 3.36Å; W203-T205 VanDerWaalsContact C-N 3.32Å; W203-T205 PolarHBondContact O-N 3.26Å; W203-I206 PolarHBondContact O-N 3.49Å; W203-K207 WeakPolarHBondContact O-CG 3.35Å; W203-K207 PolarHBondContact O-N 3.45Å; W203-T260 HydrophobicContact CH2-CG2 3.82Å; W203-T260 HydrophobicContact CZ2-CG2 3.84Å; W203-L263 HydrophobicContact CZ3-CD1 4.14Å; W203-L321 HydrophobicContact CE3-CD1 3.99Å; W203-L321 HydrophobicContact CZ3-CD1 4.42Å; W203-R323 HydrophobicContact CE3-CB 4.17Å; W203-R323 HydrophobicContact CH2-CB 4.27Å; W203-R323 HydrophobicContact CZ3-CB 4.07Å; W203-V324 HydrophobicContact CZ3-CG2 3.72Å
204E93.9Very high92.4Very high97 Ų9737.6 Ų37.645%0.45320%0.198SC..Hα-helixtrans-61.1-41.2176.3-66.7-50.5125.100111.6N200 K207 R208N200-E204 WeakPolarHBondContact O-CG 3.3Å; N200-E204 PolarHBondContact O-N 2.86Å; E204-K207 PolarHBondContact O-N 3.01Å; E204-K207 WeakPolarHBondContact OE1-CE 3.32Å; E204-K207 IonicContact OE1-NZ 2.85Å; E204-K207 PolarHBondContact OE1-NZ 3.26Å; E204-K207 WeakPolarHBondContact OE2-CE 3.38Å; E204-K207 IonicContact OE2-NZ 2.77Å; E204-K207 PolarHBondContact OE2-NZ 2.94Å; E204-R208 PolarHBondContact O-N 2.99Å; E204-R208 VanDerWaalsContact O-N 3.12Å
205T94.7Very high91.5Very high3 Ų341.4 Ų41.42%0.01822%0.216CC..Hα-helixtrans-65.8-42.7176-64.90000112.4W201 T202 W203 K207 R208 V209 P354 I375W201-T205 WeakPolarHBondContact O-CB 3.27Å; W201-T205 PolarHBondContact O-N 3.17Å; W201-T205 VanDerWaalsContact O-N 3.1Å; W201-T205 PolarHBondContact O-OG1 3.28Å; W201-T205 VanDerWaalsContact O-OG1 3.13Å; T202-T205 PolarHBondContact O-N 2.99Å; W203-T205 VanDerWaalsContact C-N 3.32Å; W203-T205 PolarHBondContact O-N 3.26Å; T205-K207 VanDerWaalsContact C-N 3.31Å; T205-K207 PolarHBondContact O-N 3.4Å; T205-R208 WeakPolarHBondContact O-CB 3.28Å; T205-R208 PolarHBondContact O-N 3.35Å; T205-R208 VanDerWaalsContact O-N 3.11Å; T205-R208 PolarHBondContact OG1-NH2 3.15Å; T205-V209 WeakPolarHBondContact O-CG2 3.4Å; T205-V209 PolarHBondContact O-N 3.11Å; T205-V209 VanDerWaalsContact O-N 3.1Å; T205-P354 HydrophobicContact CG2-CB 3.68Å; T205-P354 HydrophobicContact CG2-CG 3.9Å; T205-I375 HydrophobicContact CG2-CD1 3.76Å; T205-I375 HydrophobicContact CG2-CG1 3.98Å; T205-I375 HydrophobicContact CG2-CG2 3.89Å
206I94.8Very high90.3Very high1 Ų143 Ų431%0.00524%0.235CC..Hα-helixtrans-62.4-37.5176-67.3-68.7000111.6T202 W203 R208 V209 L210 L263 L321 P354 L355 L356T202-I206 VanDerWaalsContact O-CG1 3.28Å; T202-I206 WeakPolarHBondContact O-CG1 3.46Å; T202-I206 PolarHBondContact O-N 3.44Å; W203-I206 PolarHBondContact O-N 3.49Å; I206-R208 PolarHBondContact O-N 3.45Å; I206-V209 PolarHBondContact O-N 3.17Å; I206-L210 HydrophobicContact CG2-CD1 4.1Å; I206-L210 HydrophobicContact CG2-CG 4.44Å; I206-L210 WeakPolarHBondContact O-CG 3.5Å; I206-L210 PolarHBondContact O-N 2.82Å; I206-L263 HydrophobicContact CG2-CD1 4.22Å; I206-L321 HydrophobicContact CG1-CD1 4.13Å; I206-P354 HydrophobicContact CD1-CB 4.49Å; I206-L355 WeakPolarHBondContact CD1-O 3.36Å; I206-L356 HydrophobicContact CD1-CB 3.93Å
207K93.4Very high89.4Confident54 Ų5440.1 Ų40.124%0.23523%0.226CC..Hα-helixtrans-62.2-39.9172.3-72.5-173.7-57.4173.30112.6W203 E204 T205 V209 L210 S211 T260W203-K207 WeakPolarHBondContact O-CG 3.35Å; W203-K207 PolarHBondContact O-N 3.45Å; E204-K207 PolarHBondContact O-N 3.01Å; E204-K207 WeakPolarHBondContact OE1-CE 3.32Å; E204-K207 IonicContact OE1-NZ 2.85Å; E204-K207 PolarHBondContact OE1-NZ 3.26Å; E204-K207 WeakPolarHBondContact OE2-CE 3.38Å; E204-K207 IonicContact OE2-NZ 2.77Å; E204-K207 PolarHBondContact OE2-NZ 2.94Å; T205-K207 VanDerWaalsContact C-N 3.31Å; T205-K207 PolarHBondContact O-N 3.4Å; K207-V209 VanDerWaalsContact C-N 3.29Å; K207-V209 PolarHBondContact O-N 2.96Å; K207-L210 PolarHBondContact O-N 2.99Å; K207-S211 PolarHBondContact O-N 3.01Å; K207-S211 PolarHBondContact O-OG 3.14Å; K207-T260 HydrophobicContact CG-CG2 4.21Å
208R93Very high88.1Confident60 Ų6040.5 Ų40.523%0.22623%0.228CC..Hα-helixtrans-60.9-36.8173.4-67.7-171.9-67.4131.8-7.4112.2E204 T205 I206 S211 N212 P376 A560 S561 S562E204-R208 PolarHBondContact O-N 2.99Å; E204-R208 VanDerWaalsContact O-N 3.12Å; T205-R208 WeakPolarHBondContact O-CB 3.28Å; T205-R208 PolarHBondContact O-N 3.35Å; T205-R208 VanDerWaalsContact O-N 3.11Å; T205-R208 PolarHBondContact OG1-NH2 3.15Å; I206-R208 PolarHBondContact O-N 3.45Å; R208-S211 PolarHBondContact O-OG 2.83Å; R208-N212 PolarHBondContact O-ND2 2.89Å; R208-P376 HydrophobicContact CB-CG 4.42Å; R208-P376 PolarHBondContact NH1-O 2.85Å; R208-P376 WeakPolarHBondContact O-CG 3.48Å; R208-A560 PolarHBondContact NH1-O 2.74Å; R208-A560 PolarHBondContact NH2-O 3.2Å; R208-S561 PolarHBondContact NH2-O 2.98Å; R208-S562 PolarHBondContact NH1-OG 3.28Å
209V94Very high86.4Confident5 Ų545.5 Ų45.53%0.0326%0.259CS..Hα-helixtrans-66.6-52.4173.8-173.70000110.2T205 I206 K207 S211 N212 I213 L356 F373 I375T205-V209 WeakPolarHBondContact O-CG2 3.4Å; T205-V209 PolarHBondContact O-N 3.11Å; T205-V209 VanDerWaalsContact O-N 3.1Å; I206-V209 PolarHBondContact O-N 3.17Å; K207-V209 VanDerWaalsContact C-N 3.29Å; K207-V209 PolarHBondContact O-N 2.96Å; V209-S211 VanDerWaalsContact C-N 3.29Å; V209-S211 PolarHBondContact O-N 3.49Å; V209-N212 PolarHBondContact O-N 3.34Å; V209-I213 HydrophobicContact CG1-CD1 4.28Å; V209-I213 PolarHBondContact O-N 3.01Å; V209-L356 HydrophobicContact CB-CD2 4.19Å; V209-L356 HydrophobicContact CG1-CB 4.16Å; V209-L356 HydrophobicContact CG1-CD2 3.6Å; V209-F373 HydrophobicContact CG1-CB 3.56Å; V209-F373 HydrophobicContact CG1-CG 4.44Å; V209-I375 HydrophobicContact CG2-CB 4.4Å; V209-I375 HydrophobicContact CG2-CG1 3.98Å
210L92.8Very high84.2Confident3 Ų350.1 Ų50.12%0.01628%0.28CS..Hα-helixtrans-60.1-31-178.1-73.5171.8000114.5I206 K207 N212 I213 R259 T260 L263 L275 L356I206-L210 HydrophobicContact CG2-CD1 4.1Å; I206-L210 HydrophobicContact CG2-CG 4.44Å; I206-L210 WeakPolarHBondContact O-CG 3.5Å; I206-L210 PolarHBondContact O-N 2.82Å; K207-L210 PolarHBondContact O-N 2.99Å; L210-N212 VanDerWaalsContact C-N 3.29Å; L210-I213 HydrophobicContact CD2-CD1 4.41Å; L210-R259 PolarHBondContact O-NH1 2.8Å; L210-T260 HydrophobicContact CD1-CG2 4.18Å; L210-L263 HydrophobicContact CD1-CD1 4.01Å; L210-L263 HydrophobicContact CD1-CD2 4.23Å; L210-L263 HydrophobicContact CD1-CG 4.22Å; L210-L263 HydrophobicContact CD2-CD2 4.29Å; L210-L275 HydrophobicContact CD2-CD1 4.21Å; L210-L356 HydrophobicContact CD2-CD2 3.83Å; L210-L356 HydrophobicContact CG-CD2 4.2Å
211S90.4Very high81.3Confident54 Ų5452.3 Ų52.338%0.37830%0.299SS..Hα-helixtrans-70.1-26.5175.663.60000112.9K207 R208 V209 R259K207-S211 PolarHBondContact O-N 3.01Å; K207-S211 PolarHBondContact O-OG 3.14Å; R208-S211 PolarHBondContact O-OG 2.83Å; V209-S211 VanDerWaalsContact C-N 3.29Å; V209-S211 PolarHBondContact O-N 3.49Å; S211-R259 PolarHBondContact O-NH1 2.84Å
212N88.1Confident78.3Confident106 Ų10658.8 Ų58.857%0.56734%0.335SS*.Hα-helixtrans-93.6-7-178-75.5-89.3000113.6R208 V209 L210 P376R208-N212 PolarHBondContact O-ND2 2.89Å; V209-N212 PolarHBondContact O-N 3.34Å; L210-N212 VanDerWaalsContact C-N 3.29Å; N212-P376 HydrophobicContact CB-CG 4.31Å; N212-P376 WeakPolarHBondContact ND2-CG 3.41Å
213I87.8Confident75.2Confident9 Ų967.1 Ų67.15%0.04637%0.374CS..SBendtrans-76.3128.2174.1-69.1175.7000109.8V209 L210 S217 L218 R259 L356 F373V209-I213 HydrophobicContact CG1-CD1 4.28Å; V209-I213 PolarHBondContact O-N 3.01Å; L210-I213 HydrophobicContact CD2-CD1 4.41Å; I213-S217 WeakPolarHBondContact CG2-OG 3.35Å; I213-L218 HydrophobicContact CB-CD2 4.43Å; I213-L218 HydrophobicContact CG2-CD2 3.77Å; I213-L218 HydrophobicContact CG2-CG 4.1Å; I213-R259 PolarHBondContact O-NH1 2.9Å; I213-L356 HydrophobicContact CD1-CD2 3.53Å; I213-F373 HydrophobicContact CD1-CB 4.49Å; I213-F373 HydrophobicContact CD1-CD1 3.53Å; I213-F373 HydrophobicContact CD1-CD2 4.24Å; I213-F373 HydrophobicContact CD1-CE1 3.73Å; I213-F373 HydrophobicContact CD1-CE2 4.41Å; I213-F373 HydrophobicContact CD1-CG 3.81Å; I213-F373 HydrophobicContact CD1-CZ 4.17Å; I213-F373 HydrophobicContact CG1-CD1 3.85Å; I213-F373 HydrophobicContact CG1-CE1 4.1Å
214P83.6Confident72Confident94 Ų9473.4 Ų73.461%0.6141%0.41SS*.  trans-62.4139.1175.1-22.833.9000112.3G216 S217P214-G216 PolarHBondContact O-N 3.3Å; P214-S217 PolarHBondContact O-N 2.96Å; P214-S217 PolarHBondContact O-OG 3.41Å
215E73.2Confident69Low102 Ų10276.2 Ų76.248%0.47743%0.426SS..G310 helixtrans-57.8-31.3-174-64.1-172.5149.500113.7S217 L218 T254 R259E215-S217 VanDerWaalsContact C-N 3.26Å; E215-S217 PolarHBondContact O-N 3.21Å; E215-L218 PolarHBondContact O-N 3.46Å; E215-T254 PolarHBondContact OE1-OG1 3.18Å; E215-R259 IonicContact OE1-NH2 3.82Å; E215-R259 PolarHBondContact OE1-NH2 3.33Å; E215-R259 VanDerWaalsContact OE1-NH2 3.17Å
216G66.5Low65.8Low71 Ų7184.5 Ų84.573%0.73247%0.465SS*.G310 helixtrans-64-21.8177.300000115.2P214P214-G216 PolarHBondContact O-N 3.3Å
217S71.7Confident62.7Low35 Ų3593.8 Ų93.825%0.24551%0.508CS..G310 helixtrans-95.4-6.2176.664.60000113.7I213 P214 E215 V219 R358I213-S217 WeakPolarHBondContact CG2-OG 3.35Å; P214-S217 PolarHBondContact O-N 2.96Å; P214-S217 PolarHBondContact O-OG 3.41Å; E215-S217 VanDerWaalsContact C-N 3.26Å; E215-S217 PolarHBondContact O-N 3.21Å; S217-V219 VanDerWaalsContact C-N 3.26Å; S217-V219 PolarHBondContact O-N 2.8Å; S217-R358 PolarHBondContact O-NH1 3.09Å; S217-R358 PolarHBondContact O-NH2 3.25Å
218L67.3Low59.8Low27 Ų2797.1 Ų97.114%0.14154%0.538CS..SBendtrans-74.2-15.8173-64.7174.6000112.6I213 E215 R259 L275I213-L218 HydrophobicContact CB-CD2 4.43Å; I213-L218 HydrophobicContact CG2-CD2 3.77Å; I213-L218 HydrophobicContact CG2-CG 4.1Å; E215-L218 PolarHBondContact O-N 3.46Å; L218-R259 HydrophobicContact CD1-CG 4.21Å; L218-L275 HydrophobicContact CD2-CD1 3.7Å
219V57.2Low56.9Low118 Ų11899.5 Ų99.572%0.71556%0.564SS**  trans-133.394.1-175-174.30000111.2S217 S221S217-V219 VanDerWaalsContact C-N 3.26Å; S217-V219 PolarHBondContact O-N 2.8Å; V219-S221 PolarHBondContact O-N 2.87Å
220E48.7Very low53.9Low113 Ų113108.4 Ų108.453%0.52861%0.606SS.*  trans-92.991.8172.2-77.6-174.4141.500112.1R358E220-R358 IonicContact OE1-NH1 3.77Å; E220-R358 WeakPolarHBondContact OE2-CD 3.34Å; E220-R358 IonicContact OE2-CZ 2.69Å; E220-R358 IonicContact OE2-NE 3.9Å; E220-R358 IonicContact OE2-NH1 2.69Å; E220-R358 PolarHBondContact OE2-NH1 2.91Å
221S33.3Very low50.9Low93 Ų93113.5 Ų113.565%0.6564%0.639SS**  trans33.793.8148.761.20000120.2V219 Q223V219-S221 PolarHBondContact O-N 2.87Å; S221-Q223 PolarHBondContact O-N 2.84Å; S221-Q223 VanDerWaalsContact O-N 3.13Å
222D31.6Very low48.2Very low158 Ų158117 Ų11785%0.84566%0.658SS**  trans-70.510.1155.9-92.1-37.5000113.7N224D222-N224 PolarHBondContact O-N 2.87Å; D222-N224 VanDerWaalsContact O-N 3.16Å
223Q29.4Very low45.6Very low175 Ų175119.3 Ų119.382%0.81867%0.67SS**THydrogen-bonded Turntrans-90.759.4-174.9-65.7-167.45.300113.1S221S221-Q223 PolarHBondContact O-N 2.84Å; S221-Q223 VanDerWaalsContact O-N 3.13Å
224N27.9Very low42.8Very low163 Ų163130.1 Ų130.187%0.87271%0.711SS**THydrogen-bonded Turntrans-156.824.6161.4-103.4-30.2000115.3D222D222-N224 PolarHBondContact O-N 2.87Å; D222-N224 VanDerWaalsContact O-N 3.16Å
225I29.6Very low40.5Very low156 Ų156133.2 Ų133.280%0.872%0.722SS**  trans-111.177.5169.5-51.6-180000109.9
226Q27.9Very low38.8Very low178 Ų178133.1 Ų133.183%0.83273%0.733SS**  trans-114.1146.6153.7-75.1-171-600108.6
227Q30.5Very low37.3Very low196 Ų196138 Ų13892%0.91674%0.741SS**  trans78.264179.3-47.6-176.115.600117.1
228S30.4Very low35.3Very low123 Ų123142 Ų14286%0.8677%0.769SS**  trans-149.5119.2135-172.30000110
229S32.3Very low33.9Very low111 Ų111145.8 Ų145.878%0.77680%0.798SS**  trans-100.6120.4-172.354.30000112.1
230Q31.4Very low32.9Very low192 Ų192146.7 Ų146.790%0.89780%0.798SS**  trans-155.5133.5147.4-113.8174.814.500111
231P30.9Very low32.6Very low109 Ų109148.5 Ų148.571%0.70881%0.81SS**  trans-98-175.9-178.639-35.5000112.9
232T33.5Very low32.6Very low128 Ų128149.2 Ų149.279%0.78582%0.815SS**  trans82.1135.7179.5760000114.4
233N32Very low32.6Very low154 Ų154151.2 Ų151.282%0.82482%0.816SS**  cis-127152.64.7-90.3-43.8000112.8
234R29.6Very low32.9Very low236 Ų236149.8 Ų149.889%0.89181%0.814SS**  trans-86.2133.8161.2-83.7178.9166.8177.2-4.5109
235D35.6Very low33.2Very low159 Ų159150.2 Ų150.285%0.8581%0.81SS**  trans171.9131.8147.4-85.1-23.8000104.4
236S36.5Very low33.2Very low101 Ų101148.9 Ų148.971%0.70681%0.814SS**  cis-164164.626.6-118.80000112.1
237L36.1Very low33.5Very low173 Ų173146 Ų14691%0.90681%0.814SS**  trans69.886.7161.3-61.3174.1000120.1
238S30Very low33.5Very low119 Ų119145.1 Ų145.183%0.83281%0.809SS**  trans-76134.6152.853.50000113.1
239S37.5Very low33.6Very low106 Ų106145.3 Ų145.374%0.74181%0.808SS**  trans-177.2130.7163.3147.80000108.4
240L37.1Very low33.5Very low137 Ų137145.7 Ų145.772%0.71781%0.805SS**  cis-163145.92.4-94.7161000107.3
241I41.1Very low33.4Very low151 Ų151148.6 Ų148.677%0.77481%0.808SS**  trans62132.5146.4-59168.3000116.9
242S32.9Very low33.6Very low108 Ų108148.9 Ų148.976%0.75581%0.808SS**  cis-153.1151.418.825.70000111.6
243K33Very low34Very low201 Ų201151.3 Ų151.387%0.87481%0.811SS**  trans-101.2136.4159.5-73-179.9174.5-179.10109.4
244N34.4Very low34.8Very low144 Ų144146.7 Ų146.777%0.7779%0.788SS**  trans-161.6110.2146.5-102.811.9000105.6
245E35Very low36.2Very low172 Ų172138.2 Ų138.280%0.80477%0.765SS**  87.3101.191-79.9-164.3158.100113.9
246C29Very low37.4Very low129 Ų129134.6 Ų134.687%0.87275%0.748SS**  trans33.6104147-155.20000119.5
247S34.1Very low38.6Very low118 Ų118135.9 Ų135.983%0.82575%0.747SS**  trans-151.7150.8144.7-77.70000108.8
248Q30.7Very low40Very low176 Ų176132.9 Ų132.982%0.82273%0.728SS**  trans-60.7145.2-170.6-64.7174.7-25.300112.5T250Q248-T250 VanDerWaalsContact C-N 3.33Å; Q248-T250 PolarHBondContact O-N 3.36Å
249P32.4Very low42.4Very low128 Ų128128.8 Ų128.883%0.83169%0.694SS**  trans-7588.817131.6-32.6000109.5R251P249-R251 PolarHBondContact O-N 3.25Å
250T30.6Very low44.6Very low118 Ų118124.7 Ų124.772%0.72467%0.665SS**  trans-53.2133.7156.9-4.80000108Q248 T252Q248-T250 VanDerWaalsContact C-N 3.33Å; Q248-T250 PolarHBondContact O-N 3.36Å; T250-T252 VanDerWaalsContact C-N 3.3Å; T250-T252 PolarHBondContact O-N 2.75Å; T250-T252 PolarHBondContact O-OG1 3.06Å
251R30Very low46.8Very low253 Ų253123 Ų12396%0.95566%0.66SS**  trans-6288.8-177.1-168.5179.8-173.6-176.40.6109.7P249P249-R251 PolarHBondContact O-N 3.25Å
252T35.4Very low49.1Very low116 Ų116118.4 Ų118.471%0.71264%0.639SS**  trans-96.9115-175.1-50.30000107.1T250 T254T250-T252 VanDerWaalsContact C-N 3.3Å; T250-T252 PolarHBondContact O-N 2.75Å; T250-T252 PolarHBondContact O-OG1 3.06Å; T252-T254 PolarHBondContact O-N 3.43Å
253E41Very low51.9Low179 Ų179113.8 Ų113.884%0.83661%0.606SS**PPolyproline II helixtrans-58.6125.1177.9-62.7-179.5153.100109.3S255E253-S255 PolarHBondContact O-N 3.33Å; E253-S255 VanDerWaalsContact O-N 3.13Å
254T48.1Very low54.7Low57 Ų57110.6 Ų110.635%0.3559%0.589SS.*PPolyproline II helixtrans-59.1120.3177.549.70000109.1E215 T252 R259E215-T254 PolarHBondContact OE1-OG1 3.18Å; T252-T254 PolarHBondContact O-N 3.43Å; T254-R259 PolarHBondContact OG1-NE 2.79Å; T254-R259 VanDerWaalsContact OG1-NE 3.09Å; T254-R259 PolarHBondContact OG1-NH2 3.43Å
255S60.1Low57.4Low57 Ų57105.3 Ų105.340%0.39956%0.562SS.*PPolyproline II helixtrans-63.1144-175.366.40000109.3E253 L257 E258 R259E253-S255 PolarHBondContact O-N 3.33Å; E253-S255 VanDerWaalsContact O-N 3.13Å; S255-L257 PolarHBondContact O-N 2.81Å; S255-E258 PolarHBondContact N-OE2 3.12Å; S255-E258 WeakPolarHBondContact O-CB 3.36Å; S255-E258 PolarHBondContact O-N 3.49Å; S255-E258 WeakPolarHBondContact OG-CG 3.49Å; S255-E258 PolarHBondContact OG-OE2 2.81Å; S255-R259 PolarHBondContact O-N 2.94Å
256T61.1Low60.1Low83 Ų8397.1 Ų97.151%0.50952%0.524SS..Hα-helixtrans-56.4-27.4-177.650.40000112.6R259 T260T256-R259 PolarHBondContact O-N 2.82Å; T256-T260 PolarHBondContact O-N 3Å
257L61.3Low62.9Low129 Ų12992.9 Ų92.968%0.67549%0.491SS*.Hα-helixtrans-63.6-43.3174.5-160.671.3000112.5S255 R259 T260S255-L257 PolarHBondContact O-N 2.81Å; L257-R259 VanDerWaalsContact C-N 3.34Å; L257-R259 PolarHBondContact O-N 3.44Å; L257-T260 PolarHBondContact O-N 3.16Å; L257-T260 PolarHBondContact O-OG1 2.93Å
258E66.2Low65.5Low110 Ų11088.8 Ų88.851%0.51446%0.462SS..Hα-helixtrans-62.3-41.9177.3-70.8165135.700111.1S255 T260 T261S255-E258 PolarHBondContact N-OE2 3.12Å; S255-E258 WeakPolarHBondContact O-CB 3.36Å; S255-E258 PolarHBondContact O-N 3.49Å; S255-E258 WeakPolarHBondContact OG-CG 3.49Å; S255-E258 PolarHBondContact OG-OE2 2.81Å; E258-T260 PolarHBondContact O-N 3.14Å; E258-T261 WeakPolarHBondContact O-CB 3.24Å; E258-T261 WeakPolarHBondContact O-CG2 3.13Å; E258-T261 PolarHBondContact O-N 3.16Å; E258-T261 PolarHBondContact O-OG1 3Å
259R79.2Confident68.4Low32 Ų3289.2 Ų89.212%0.12146%0.456CS..Hα-helixtrans-60.1-31.6178.5-62.4-172.3179.1-162.80.6113.3L210 S211 I213 E215 L218 T254 S255 T256 L257 T261 V262L210-R259 PolarHBondContact O-NH1 2.8Å; S211-R259 PolarHBondContact O-NH1 2.84Å; I213-R259 PolarHBondContact O-NH1 2.9Å; E215-R259 IonicContact OE1-NH2 3.82Å; E215-R259 PolarHBondContact OE1-NH2 3.33Å; E215-R259 VanDerWaalsContact OE1-NH2 3.17Å; L218-R259 HydrophobicContact CD1-CG 4.21Å; T254-R259 PolarHBondContact OG1-NE 2.79Å; T254-R259 VanDerWaalsContact OG1-NE 3.09Å; T254-R259 PolarHBondContact OG1-NH2 3.43Å; S255-R259 PolarHBondContact O-N 2.94Å; T256-R259 PolarHBondContact O-N 2.82Å; L257-R259 VanDerWaalsContact C-N 3.34Å; L257-R259 PolarHBondContact O-N 3.44Å; R259-T261 PolarHBondContact O-N 3.14Å; R259-V262 PolarHBondContact O-N 3.43Å
260T84Confident71.1Confident21 Ų2183.7 Ų83.713%0.12942%0.42CS..G310 helixtrans-67-18.917768.50000113.9W203 K207 L210 T256 L257 E258 V262 L263W203-T260 HydrophobicContact CH2-CG2 3.82Å; W203-T260 HydrophobicContact CZ2-CG2 3.84Å; K207-T260 HydrophobicContact CG-CG2 4.21Å; L210-T260 HydrophobicContact CD1-CG2 4.18Å; T256-T260 PolarHBondContact O-N 3Å; L257-T260 PolarHBondContact O-N 3.16Å; L257-T260 PolarHBondContact O-OG1 2.93Å; E258-T260 PolarHBondContact O-N 3.14Å; T260-V262 PolarHBondContact O-N 3.24Å; T260-L263 WeakPolarHBondContact O-CB 3.3Å; T260-L263 WeakPolarHBondContact O-CG 3.17Å; T260-L263 PolarHBondContact O-N 3.4Å
261T84.3Confident74Confident100 Ų10085 Ų8561%0.61342%0.421SS*.G310 helixtrans-72.6-15.9179.969.10000113.9E258 R259 L263E258-T261 WeakPolarHBondContact O-CB 3.24Å; E258-T261 WeakPolarHBondContact O-CG2 3.13Å; E258-T261 PolarHBondContact O-N 3.16Å; E258-T261 PolarHBondContact O-OG1 3Å; R259-T261 PolarHBondContact O-N 3.14Å; T261-L263 VanDerWaalsContact C-N 3.32Å
262V88.8Confident77Confident55 Ų5575.8 Ų75.833%0.33340%0.399SS..G310 helixtrans-76-22.2176.8-174.80000111.7R259 T260 R264 L275R259-V262 PolarHBondContact O-N 3.43Å; T260-V262 PolarHBondContact O-N 3.24Å; V262-R264 PolarHBondContact O-N 3.43Å; V262-L275 HydrophobicContact CG1-CD1 4.18Å
263L92Very high79.7Confident11 Ų1173 Ų736%0.05838%0.383CS..PPolyproline II helixtrans-63.4129.1-178.2-64.1175.5000111.5W203 I206 L210 T260 T261 L275 V324 L356W203-L263 HydrophobicContact CZ3-CD1 4.14Å; I206-L263 HydrophobicContact CG2-CD1 4.22Å; L210-L263 HydrophobicContact CD1-CD1 4.01Å; L210-L263 HydrophobicContact CD1-CD2 4.23Å; L210-L263 HydrophobicContact CD1-CG 4.22Å; L210-L263 HydrophobicContact CD2-CD2 4.29Å; T260-L263 WeakPolarHBondContact O-CB 3.3Å; T260-L263 WeakPolarHBondContact O-CG 3.17Å; T260-L263 PolarHBondContact O-N 3.4Å; T261-L263 VanDerWaalsContact C-N 3.32Å; L263-L275 HydrophobicContact CD2-CB 4.2Å; L263-V324 HydrophobicContact CB-CG1 4.05Å; L263-V324 HydrophobicContact CB-CG2 4.27Å; L263-V324 HydrophobicContact CD1-CG2 3.97Å; L263-L356 HydrophobicContact CD2-CD1 3.56Å
264R91.7Very high82.2Confident135 Ų13565.4 Ų65.451%0.50935%0.35SS..BIsolated β-bridgetrans-93.7141173.5-63.7-59.3-173175.1-1.4111V262 V270 L275 I276V262-R264 PolarHBondContact O-N 3.43Å; R264-V270 HydrophobicContact CB-CG2 4.06Å; R264-V270 HydrophobicContact CG-CG2 4.22Å; R264-L275 PolarHBondContact N-O 2.83Å; R264-I276 HydrophobicContact CB-CG1 4.18Å
265P90.9Very high84.4Confident33 Ų3362.9 Ų62.921%0.21434%0.335CS..PPolyproline II helixtrans-55.5142.6169.6-23.632.5000111.7F267 S268 V324 E325P265-F267 PolarHBondContact O-N 3.49Å; P265-S268 WeakPolarHBondContact O-CB 3.43Å; P265-S268 PolarHBondContact O-N 2.86Å; P265-S268 PolarHBondContact O-OG 2.79Å; P265-V324 HydrophobicContact CG-CG1 4.44Å; P265-E325 WeakPolarHBondContact CA-OE1 3.38Å; P265-E325 VanDerWaalsContact CB-OE2 3.27Å; P265-E325 WeakPolarHBondContact CB-OE2 3.3Å
266V91.1Very high86Confident0 Ų060.2 Ų60.20%032%0.316CS..THydrogen-bonded Turntrans-60.4-37.3-179.4178.50000110.5I276 L318 E325 V334 N361 L367V266-I276 HydrophobicContact CB-CG2 4.49Å; V266-I276 HydrophobicContact CG2-CG2 3.92Å; V266-L318 HydrophobicContact CG1-CB 4.23Å; V266-L318 WeakPolarHBondContact CG1-O 3.44Å; V266-E325 PolarHBondContact N-OE1 3.26Å; V266-V334 HydrophobicContact CB-CG2 4.41Å; V266-V334 HydrophobicContact CG1-CB 3.52Å; V266-V334 HydrophobicContact CG1-CG2 3.43Å; V266-V334 VanDerWaalsContact CG1-CG2 3.43Å; V266-N361 PolarHBondContact O-ND2 2.61Å; V266-L367 HydrophobicContact CG1-CD1 3.69Å; V266-L367 HydrophobicContact CG1-CG 4.4Å
267F88.2Confident87.6Confident40 Ų4056.2 Ų56.218%0.17529%0.291CS..THydrogen-bonded Turntrans-81.3-10.7176.7-68.7-85.2000114.8P265 E325 E330 D332 V334P265-F267 PolarHBondContact O-N 3.49Å; F267-E325 WeakPolarHBondContact CD2-OE2 3.49Å; F267-E330 HydrophobicContact CD1-CB 4.42Å; F267-E330 WeakPolarHBondContact CD1-OE2 3.41Å; F267-E330 HydrophobicContact CD2-CB 4.35Å; F267-E330 HydrophobicContact CE1-CB 4.22Å; F267-E330 HydrophobicContact CE2-CB 4.17Å; F267-E330 WeakPolarHBondContact CE2-O 3.35Å; F267-E330 HydrophobicContact CG-CB 4.47Å; F267-E330 HydrophobicContact CZ-CB 4.09Å; F267-D332 WeakPolarHBondContact CE2-O 3.39Å; F267-D332 HydrophobicContact CZ-CB 3.97Å; F267-D332 WeakPolarHBondContact CZ-O 3.48Å; F267-V334 HydrophobicContact CD1-CG2 3.56Å; F267-V334 HydrophobicContact CD2-CG2 4.17Å; F267-V334 HydrophobicContact CE1-CG2 3.44Å; F267-V334 VanDerWaalsContact CE1-CG2 3.44Å; F267-V334 HydrophobicContact CE2-CG2 4.07Å; F267-V334 HydrophobicContact CG-CG2 3.93Å; F267-V334 HydrophobicContact CZ-CG2 3.7Å
268S87.9Confident89.2Confident31 Ų3150.1 Ų50.122%0.21726%0.259CS..SBendtrans-67.4142.1-176.467.60000111.3P265 V270 N361P265-S268 WeakPolarHBondContact O-CB 3.43Å; P265-S268 PolarHBondContact O-N 2.86Å; P265-S268 PolarHBondContact O-OG 2.79Å; S268-V270 PolarHBondContact O-N 3.2Å; S268-V270 VanDerWaalsContact OG-CG2 3.26Å; S268-V270 WeakPolarHBondContact OG-CG2 3.44Å; S268-N361 WeakPolarHBondContact O-CB 3.42Å; S268-N361 PolarHBondContact O-ND2 2.77Å
269R91.6Very high90.5Very high186 Ų18646.6 Ų46.670%0.70224%0.241SC*.  trans-74.8112.6171-77.2-174.6-178.3170.12.5109.5N361 T363R269-N361 CarbonylContact C-O 3.34Å; R269-N361 VanDerWaalsContact CA-O 3.28Å; R269-N361 WeakPolarHBondContact CA-O 3.25Å; R269-T363 PolarHBondContact NE-O 3.3Å; R269-T363 PolarHBondContact NH2-O 3.42Å; R269-T363 VanDerWaalsContact NH2-O 3.15Å
270V90.1Very high91.3Very high11 Ų1145.1 Ų45.17%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-123.3114.6-178-164.80000109.4R264 S268 A272 S274 N361R264-V270 HydrophobicContact CB-CG2 4.06Å; R264-V270 HydrophobicContact CG-CG2 4.22Å; S268-V270 PolarHBondContact O-N 3.2Å; S268-V270 VanDerWaalsContact OG-CG2 3.26Å; S268-V270 WeakPolarHBondContact OG-CG2 3.44Å; V270-A272 WeakPolarHBondContact CG1-O 3.49Å; V270-S274 WeakPolarHBondContact CG1-OG 3.43Å; V270-N361 PolarHBondContact N-O 2.83Å; V270-N361 CarbonylContact O-C 3.56Å; V270-N361 PolarHBondContact O-N 2.81Å
271L91Very high91.8Very high145 Ų14545.8 Ų45.876%0.75924%0.242SC*.EExtended strand (participates in β ladder)trans-92-26.6-179.8-62.2176.2000113.4P362L271-P362 HydrophobicContact CD2-CB 4.06Å
272A92.1Very high92Very high60 Ų6042.2 Ų42.250%0.49622%0.222SC..EExtended strand (participates in β ladder)trans-100.4147.3176.800000110.7V270 S274V270-A272 WeakPolarHBondContact CG1-O 3.49Å; A272-S274 PolarHBondContact O-N 3.11Å; A272-S274 VanDerWaalsContact O-N 3.09Å; A272-S274 PolarHBondContact O-OG 3.44Å
273P92.7Very high91.7Very high57 Ų5742.6 Ų42.637%0.3722%0.219SC..EExtended strand (participates in β ladder)trans-50.8119.6175.2-24.733.6000111R358 M370P273-R358 HydrophobicContact CB-CG 3.97Å; P273-M370 HydrophobicContact CB-SD 3.8Å; P273-M370 HydrophobicContact CG-CE 4.12Å; P273-M370 HydrophobicContact CG-SD 3.74Å
274S93.2Very high90.4Very high21 Ų2147.7 Ų47.715%0.14725%0.246CC..EExtended strand (participates in β ladder)trans-135.4159.5-179.5-62.10000111.4V270 A272 I276 R358 G359V270-S274 WeakPolarHBondContact CG1-OG 3.43Å; A272-S274 PolarHBondContact O-N 3.11Å; A272-S274 VanDerWaalsContact O-N 3.09Å; A272-S274 PolarHBondContact O-OG 3.44Å; S274-I276 PolarHBondContact O-N 3.06Å; S274-R358 WeakPolarHBondContact O-CA 3.31Å; S274-G359 PolarHBondContact N-O 3Å; S274-G359 PolarHBondContact O-N 2.78Å
275L94.6Very high88.6Confident4 Ų446.3 Ų46.32%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-76.6120.2174-62.2-178.8000110.2L210 L218 V262 L263 R264 L356 I357 F373L210-L275 HydrophobicContact CD2-CD1 4.21Å; L218-L275 HydrophobicContact CD2-CD1 3.7Å; V262-L275 HydrophobicContact CG1-CD1 4.18Å; L263-L275 HydrophobicContact CD2-CB 4.2Å; R264-L275 PolarHBondContact N-O 2.83Å; L275-L356 HydrophobicContact CB-CD1 4.38Å; L275-I357 WeakPolarHBondContact CA-O 3.41Å; L275-F373 HydrophobicContact CD2-CD2 4.32Å; L275-F373 HydrophobicContact CD2-CE2 3.37Å; L275-F373 HydrophobicContact CD2-CZ 3.74Å
276I94.4Very high86.2Confident0 Ų050.4 Ų50.40%028%0.281CS..EExtended strand (participates in β ladder)trans-123.5128.8178.4-58.8174.1000107.4R264 V266 S274 I357 L367R264-I276 HydrophobicContact CB-CG1 4.18Å; V266-I276 HydrophobicContact CB-CG2 4.49Å; V266-I276 HydrophobicContact CG2-CG2 3.92Å; S274-I276 PolarHBondContact O-N 3.06Å; I276-I357 HydrophobicContact CB-CD1 4.43Å; I276-I357 HydrophobicContact CB-CG1 3.95Å; I276-I357 PolarHBondContact N-O 3.08Å; I276-I357 PolarHBondContact O-N 3.42Å; I276-L367 HydrophobicContact CD1-CD2 3.74Å; I276-L367 HydrophobicContact CG2-CD1 4.01Å
277S94.5Very high83.2Confident0 Ų055.4 Ų55.40%031%0.313CS..EExtended strand (participates in β ladder)trans-119135.3-177.558.20000110.7L321 L355S277-L321 WeakPolarHBondContact OG-CD1 3.23Å; S277-L355 WeakPolarHBondContact CA-O 3.39Å
278G93.8Very high80.5Confident0 Ų061.5 Ų61.50%035%0.346CS..EExtended strand (participates in β ladder)trans-162.3-165.4175.700000112.1V319 L355G278-V319 CarbonylContact C-O 3.5Å; G278-V319 WeakPolarHBondContact CA-O 3.42Å; G278-L355 PolarHBondContact N-O 3.01Å; G278-L355 PolarHBondContact O-N 3.19Å
279R95Very high77.7Confident37 Ų3769 Ų6914%0.1438%0.375CS..EExtended strand (participates in β ladder)trans-121.7131.4176.7-164.5173.261.8110-2110.4I198 T202 S281 L318 V319 G352 Q353 H568I198-R279 VanDerWaalsContact CG2-CZ 3.45Å; T202-R279 HydrophobicContact CG2-CB 4.05Å; T202-R279 HydrophobicContact CG2-CG 4.3Å; T202-R279 WeakPolarHBondContact OG1-CD 3.36Å; R279-S281 PolarHBondContact O-N 3.49Å; R279-L318 WeakPolarHBondContact O-CA 3.17Å; R279-V319 PolarHBondContact N-O 3.03Å; R279-V319 PolarHBondContact O-N 3.3Å; R279-G352 WeakPolarHBondContact CD-O 3.45Å; R279-G352 WeakPolarHBondContact CG-O 3.38Å; R279-Q353 WeakPolarHBondContact CA-O 3.39Å; R279-H568 PolarHBondContact NH1-CE1 2.93Å; R279-H568 PolarHBondContact NH1-ND1 2.88Å
280V95.6Very high74.6Confident1 Ų163.9 Ų63.91%0.00638%0.38CS..EExtended strand (participates in β ladder)trans-64.5129.9179.8178.80000110.1L311 V316 L318 I349 Y350 G352 Q353 L355V280-L311 HydrophobicContact CG1-CD1 4.02Å; V280-L311 HydrophobicContact CG1-CD2 3.74Å; V280-V316 HydrophobicContact CG1-CG1 4.23Å; V280-L318 HydrophobicContact CG2-CD2 4.01Å; V280-I349 HydrophobicContact CG1-CD1 4.28Å; V280-I349 HydrophobicContact CG2-CD1 4.26Å; V280-Y350 WeakPolarHBondContact CB-O 3.26Å; V280-Y350 WeakPolarHBondContact CG1-O 3.44Å; V280-G352 WeakPolarHBondContact O-CA 3.25Å; V280-G352 PolarHBondContact O-N 3.07Å; V280-Q353 HydrophobicContact CB-CB 4.35Å; V280-Q353 HydrophobicContact CG2-CB 4.15Å; V280-Q353 PolarHBondContact N-O 3.01Å; V280-L355 HydrophobicContact CG2-CB 4.05Å; V280-L355 HydrophobicContact CG2-CD2 4.04Å; V280-L355 HydrophobicContact CG2-CG 4.49Å
281S93.5Very high71.8Confident35 Ų3568 Ų6825%0.24541%0.409CS..EExtended strand (participates in β ladder)trans-141.6154.4172-172.50000109.5R279 A317R279-S281 PolarHBondContact O-N 3.49Å; S281-A317 PolarHBondContact N-O 3.48Å; S281-A317 PolarHBondContact O-N 3.22Å; S281-A317 VanDerWaalsContact O-O 3.11Å
282A90.1Very high68.8Low24 Ų2466.8 Ų66.820%0.19841%0.413CS..EExtended strand (participates in β ladder)trans-78.5137.6163.600000109.6T309 L311 N315A282-T309 HydrophobicContact CB-CG2 4.28Å; A282-T309 WeakPolarHBondContact CB-O 3.33Å; A282-L311 HydrophobicContact CB-CD1 4.35Å; A282-N315 CarbonylContact C-O 3.55Å; A282-N315 WeakPolarHBondContact CA-O 3.34Å
283K82Confident65.9Low63 Ų6372.8 Ų72.827%0.27443%0.43SS..  trans-129.3121.1169.4-171.9179.9-168176.30109.9S285 N315 A317 D332 A333K283-S285 PolarHBondContact O-N 3.46Å; K283-N315 PolarHBondContact N-O 3.15Å; K283-A317 HydrophobicContact CB-CB 3.7Å; K283-D332 WeakPolarHBondContact CE-OD1 3.32Å; K283-D332 WeakPolarHBondContact CE-OD2 3.42Å; K283-D332 IonicContact NZ-OD1 3.38Å; K283-D332 PolarHBondContact NZ-OD1 2.61Å; K283-D332 IonicContact NZ-OD2 2.93Å; K283-D332 PolarHBondContact NZ-OD2 2.87Å; K283-A333 HydrophobicContact CD-CB 4.32Å; K283-A333 VanDerWaalsContact CD-O 3.23Å; K283-A333 WeakPolarHBondContact CD-O 3.4Å; K283-A333 PolarHBondContact NZ-O 3.09Å
284L64.8Low62.9Low118 Ų11874.6 Ų74.662%0.61845%0.445SS*.  trans-69.7118.5170.4-80.7158.6000109.7V286 T309L284-V286 VanDerWaalsContact C-N 3.33Å; L284-V286 PolarHBondContact O-N 2.86Å; L284-T309 HydrophobicContact CD2-CG2 4.37Å; L284-T309 HydrophobicContact CG-CG2 4.18Å
285S52.6Low59.8Low106 Ų10678.9 Ų78.974%0.74148%0.475SS*.  trans-70.389.3167.358.80000109.4K283 P287K283-S285 PolarHBondContact O-N 3.46Å; S285-P287 WeakPolarHBondContact O-CD 3.4Å
286V41Very low56.9Low119 Ų11987 Ų8772%0.72151%0.513SS*.  trans-63.1122.8167.1-177.10000107.5L284 I288L284-V286 VanDerWaalsContact C-N 3.33Å; L284-V286 PolarHBondContact O-N 2.86Å; V286-I288 PolarHBondContact O-N 3.48Å; V286-I288 VanDerWaalsContact O-N 3.17Å
287P28.8Very low53.9Low105 Ų10594.9 Ų94.968%0.68255%0.553SS**  trans-64.3120.5174.8-16.329.4000108.6S285 K289S285-P287 WeakPolarHBondContact O-CD 3.4Å; P287-K289 PolarHBondContact O-N 3.15Å
288I30.8Very low51.1Low169 Ų169100.9 Ų100.987%0.86759%0.589SS**  trans-67.988.3173.3-58.9170000108V286 G290V286-I288 PolarHBondContact O-N 3.48Å; V286-I288 VanDerWaalsContact O-N 3.17Å; I288-G290 PolarHBondContact O-N 3.34Å; I288-G290 VanDerWaalsContact O-N 3.15Å
289K29.9Very low48.1Very low188 Ų188109 Ų10982%0.81763%0.628SS**  trans-74.796.5162.1-82.5-171.8174.1-177.20107.7P287 S291P287-K289 PolarHBondContact O-N 3.15Å; K289-S291 PolarHBondContact O-N 3.24Å
290G27.1Very low45.2Very low78 Ų78114.9 Ų114.980%0.80466%0.662SS**  trans-67.194.1168.900000110.8I288I288-G290 PolarHBondContact O-N 3.34Å; I288-G290 VanDerWaalsContact O-N 3.15Å
291S30.9Very low42.1Very low97 Ų97122.9 Ų122.968%0.67871%0.705SS**  trans-162.1112.2157.654.50000109.2K289 E293K289-S291 PolarHBondContact O-N 3.24Å; S291-E293 PolarHBondContact O-N 3.35Å
292S27Very low39Very low120 Ų120130.1 Ų130.184%0.83973%0.731SS**  trans-57.7113.6166.348.30000110.4
293E32.1Very low36Very low186 Ų186134.5 Ų134.587%0.86976%0.758SS**  trans-151.2135157.7-121.4162.9-140.100112.2S291S291-E293 PolarHBondContact O-N 3.35Å
294S29.1Very low33.7Very low96 Ų96138.7 Ų138.767%0.67178%0.782SS**  trans-41.6131.5-174.8470000117.2Q296S294-Q296 PolarHBondContact O-N 2.9Å
295S28.5Very low32.3Very low111 Ų111138.9 Ų138.978%0.77679%0.788SS**  trans0.5105.4131.755.60000116.7
296Q32.9Very low32Very low175 Ų175142.4 Ų142.482%0.81879%0.793SS**  trans-124.8120.4145.2-74.3-165.2-4.500108.9S294 T298S294-Q296 PolarHBondContact O-N 2.9Å; Q296-T298 PolarHBondContact O-N 2.97Å
297I32.6Very low32.6Very low164 Ų164142.2 Ų142.284%0.84179%0.792SS**  trans-79.6111171.3-64.2164.3000105.9
298T34.9Very low34.6Very low126 Ų126140 Ų14077%0.77377%0.772SS**  trans-107.8112.3170.1-13.40000109Q296 N300Q296-T298 PolarHBondContact O-N 2.97Å; T298-N300 PolarHBondContact O-N 3.43Å
299E32Very low36.9Very low171 Ų171134.6 Ų134.680%0.79975%0.747SS**  trans-61.9115178.1-59.7170131.700110.4
300N33.4Very low39.6Very low161 Ų161132.5 Ų132.586%0.86173%0.733SS**  trans-160.3109.4150.1-101.9-43.2000110.5T298 K302T298-N300 PolarHBondContact O-N 3.43Å; N300-K302 PolarHBondContact O-N 3.33Å; N300-K302 VanDerWaalsContact O-N 3.16Å
301N29.6Very low42.7Very low169 Ų169129 Ų12990%0.90470%0.696SS**  trans-72.5106-170.9-68.2-47.5000112.6
302K28.5Very low45.6Very low186 Ų186129.6 Ų129.681%0.80969%0.688SS**  trans-143.6129.4144.2-108.7-178.5178-178.10107.7N300 I304N300-K302 PolarHBondContact O-N 3.33Å; N300-K302 VanDerWaalsContact O-N 3.16Å; K302-I304 PolarHBondContact O-N 3.17Å
303P28.2Very low48.7Very low116 Ų116126 Ų12675%0.75367%0.666SS**  trans-59.2128.2164.327.3-32000106.9T305P303-T305 PolarHBondContact O-N 3.46Å
304I32.9Very low51.5Low152 Ų152121.8 Ų121.878%0.77966%0.657SS**  trans-66.1106.5168-67.2162.9000104.8K302 E306K302-I304 PolarHBondContact O-N 3.17Å; I304-E306 PolarHBondContact O-N 3.35Å
305T35.4Very low54.5Low121 Ų121118.3 Ų118.374%0.74263%0.631SS**  trans-62.4103.5167.6-42.40000106.1P303 T307P303-T305 PolarHBondContact O-N 3.46Å; T305-T307 VanDerWaalsContact C-N 3.28Å; T305-T307 PolarHBondContact O-N 3.21Å
306E46.9Very low57.7Low180 Ų180113.2 Ų113.284%0.84160%0.595SS**  trans-65.191.3177.8-68.8-171.5162.800108.4I304 K308I304-E306 PolarHBondContact O-N 3.35Å; E306-K308 PolarHBondContact O-N 3.26Å; E306-K308 VanDerWaalsContact O-N 3.11Å
307T52.5Low60.6Low116 Ų116104.9 Ų104.971%0.71256%0.556SS**  trans-60.6117.6177.5510000108.5T305 T309T305-T307 VanDerWaalsContact C-N 3.28Å; T305-T307 PolarHBondContact O-N 3.21Å; T307-T309 PolarHBondContact O-N 2.94Å
308K70.8Confident63.6Low58 Ų5897 Ų9725%0.25252%0.516SS..  trans-43.7115178.7-172.6-176.5-175.9-170.30110.2E306 R310 E539 P569 P570E306-K308 PolarHBondContact O-N 3.26Å; E306-K308 VanDerWaalsContact O-N 3.11Å; K308-R310 PolarHBondContact O-N 2.83Å; K308-R310 VanDerWaalsContact O-N 3.17Å; K308-E539 WeakPolarHBondContact CE-OE1 3.4Å; K308-E539 IonicContact NZ-OE1 2.67Å; K308-E539 PolarHBondContact NZ-OE1 3.24Å; K308-P569 WeakPolarHBondContact CE-O 3.41Å; K308-P569 PolarHBondContact NZ-O 3.47Å; K308-P570 PolarHBondContact NZ-O 2.92Å
309T80.6Confident66.3Low55 Ų5592.6 Ų92.634%0.33749%0.488SS..  trans-77.7108.2-177.3-64.70000109.2A282 L284 T307A282-T309 HydrophobicContact CB-CG2 4.28Å; A282-T309 WeakPolarHBondContact CB-O 3.33Å; L284-T309 HydrophobicContact CD2-CG2 4.37Å; L284-T309 HydrophobicContact CG-CG2 4.18Å; T307-T309 PolarHBondContact O-N 2.94Å
310R86.4Confident69.1Low144 Ų14485.1 Ų85.154%0.54346%0.457SS..  trans-56.1140177-170.9180-178.2-163.3-3.6111.7K308 N315 C538K308-R310 PolarHBondContact O-N 2.83Å; K308-R310 VanDerWaalsContact O-N 3.17Å; R310-N315 PolarHBondContact O-ND2 2.88Å; R310-C538 VanDerWaalsContact CZ-O 3.3Å; R310-C538 PolarHBondContact NE-O 2.72Å; R310-C538 PolarHBondContact NH2-O 3.19Å
311L92.2Very high71.7Confident4 Ų477.6 Ų77.62%0.02142%0.417CS..  trans-62.7134174.3-167.566.7000111.5V280 A282 V316 I349 I541V280-L311 HydrophobicContact CG1-CD1 4.02Å; V280-L311 HydrophobicContact CG1-CD2 3.74Å; A282-L311 HydrophobicContact CB-CD1 4.35Å; L311-V316 HydrophobicContact CD1-CB 4.41Å; L311-V316 HydrophobicContact CD1-CG1 4.38Å; L311-V316 HydrophobicContact CD1-CG2 4.13Å; L311-I349 HydrophobicContact CD2-CG1 4.48Å; L311-I541 HydrophobicContact CB-CG2 4.46Å; L311-I541 HydrophobicContact CD2-CD1 4.31Å; L311-I541 HydrophobicContact CD2-CG1 4.05Å; L311-I541 HydrophobicContact CG-CD1 4.26Å; L311-I541 HydrophobicContact CG-CG1 4.38Å; L311-I541 HydrophobicContact CG-CG2 4.26Å; L311-I541 WeakPolarHBondContact O-CG2 3.49Å
312H92.2Very high74.5Confident111 Ų11174.9 Ų74.951%0.51439%0.394SS..  trans-146.1151.4177-175.9-106.5000109.4S314 N315 V316H312-S314 PolarHBondContact ND1-N 2.91Å; H312-S314 PolarHBondContact ND1-OG 3.46Å; H312-S314 PolarHBondContact O-N 2.76Å; H312-N315 PolarHBondContact N-OD1 3.41Å; H312-N315 PolarHBondContact O-N 2.99Å; H312-N315 PolarHBondContact O-OD1 2.69Å; H312-V316 WeakPolarHBondContact O-CG2 3.34Å; H312-V316 PolarHBondContact O-N 2.83Å
313A90.9Very high77.3Confident45 Ų4571.3 Ų71.337%0.37238%0.375SS..THydrogen-bonded Turntrans-54.1-24-177.400000114.5
314S90.8Very high80Confident96 Ų9666.3 Ų66.367%0.67134%0.343SS*.THydrogen-bonded Turntrans-90.2-7.1178.268.10000115.6H312H312-S314 PolarHBondContact ND1-N 2.91Å; H312-S314 PolarHBondContact ND1-OG 3.46Å; H312-S314 PolarHBondContact O-N 2.76Å
315N93Very high82.3Confident24 Ų2460.3 Ų60.313%0.12831%0.312CS..THydrogen-bonded Turntrans-124.96.3-178.976.59000113.3A282 K283 R310 H312 A317A282-N315 CarbonylContact C-O 3.55Å; A282-N315 WeakPolarHBondContact CA-O 3.34Å; K283-N315 PolarHBondContact N-O 3.15Å; R310-N315 PolarHBondContact O-ND2 2.88Å; H312-N315 PolarHBondContact N-OD1 3.41Å; H312-N315 PolarHBondContact O-N 2.99Å; H312-N315 PolarHBondContact O-OD1 2.69Å; N315-A317 PolarHBondContact O-N 2.86Å
316V94.5Very high83.9Confident3 Ų364.9 Ų64.92%0.01832%0.315CS..EExtended strand (participates in β ladder)trans-61.6132.8176.1-166.70000109.5V280 L311 H312 P335 L336 L338 I349 I541V280-V316 HydrophobicContact CG1-CG1 4.23Å; L311-V316 HydrophobicContact CD1-CB 4.41Å; L311-V316 HydrophobicContact CD1-CG1 4.38Å; L311-V316 HydrophobicContact CD1-CG2 4.13Å; H312-V316 WeakPolarHBondContact O-CG2 3.34Å; H312-V316 PolarHBondContact O-N 2.83Å; V316-P335 WeakPolarHBondContact O-CA 3.3Å; V316-L336 HydrophobicContact CB-CB 4.35Å; V316-L336 HydrophobicContact CG1-CB 4.05Å; V316-L336 HydrophobicContact CG1-CD2 4.02Å; V316-L336 PolarHBondContact O-N 2.82Å; V316-L338 HydrophobicContact CG2-CD1 3.99Å; V316-I349 HydrophobicContact CG1-CD1 3.79Å; V316-I541 HydrophobicContact CG2-CD1 3.5Å
317A94.7Very high84.4Confident0 Ų059.6 Ų59.60%030%0.298CS..EExtended strand (participates in β ladder)trans-140.4158.3171.500000110.4S281 K283 N315 A333 V334S281-A317 PolarHBondContact N-O 3.48Å; S281-A317 PolarHBondContact O-N 3.22Å; S281-A317 VanDerWaalsContact O-O 3.11Å; K283-A317 HydrophobicContact CB-CB 3.7Å; N315-A317 PolarHBondContact O-N 2.86Å; A317-A333 HydrophobicContact CB-CB 3.51Å; A317-V334 CarbonylContact C-O 3.59Å; A317-V334 WeakPolarHBondContact CA-O 3.49Å; A317-V334 WeakPolarHBondContact CB-O 3.24Å
318L94.4Very high84.5Confident0 Ų057.9 Ų57.90%030%0.304CS..EExtended strand (participates in β ladder)trans-108.4125171.9-70.8178.4000110.2V266 R279 V280 A333 V334 L336 L355 I357 L367V266-L318 HydrophobicContact CG1-CB 4.23Å; V266-L318 WeakPolarHBondContact CG1-O 3.44Å; R279-L318 WeakPolarHBondContact O-CA 3.17Å; V280-L318 HydrophobicContact CG2-CD2 4.01Å; L318-A333 CarbonylContact O-C 3.56Å; L318-A333 WeakPolarHBondContact O-CA 3.48Å; L318-V334 PolarHBondContact N-O 2.9Å; L318-V334 PolarHBondContact O-N 2.97Å; L318-L336 HydrophobicContact CD1-CD1 4.12Å; L318-L336 HydrophobicContact CD1-CD2 4.09Å; L318-L336 HydrophobicContact CD2-CD2 4.47Å; L318-L336 HydrophobicContact CG-CB 4.5Å; L318-L336 HydrophobicContact CG-CD2 4.07Å; L318-L355 HydrophobicContact CD1-CD2 4.49Å; L318-L355 HydrophobicContact CD2-CB 3.99Å; L318-L355 HydrophobicContact CD2-CD2 4.02Å; L318-I357 HydrophobicContact CD1-CD1 3.96Å; L318-L367 HydrophobicContact CB-CD1 4.14Å; L318-L367 HydrophobicContact CD1-CD1 3.76Å; L318-L367 HydrophobicContact CG-CD1 4.39Å
319V92.3Very high83.6Confident33 Ų3359.5 Ų59.520%0.232%0.322CS..EExtended strand (participates in β ladder)trans-81.8126.6166.5-178.60000108G278 R279 A333G278-V319 CarbonylContact C-O 3.5Å; G278-V319 WeakPolarHBondContact CA-O 3.42Å; R279-V319 PolarHBondContact N-O 3.03Å; R279-V319 PolarHBondContact O-N 3.3Å; V319-A333 HydrophobicContact CG2-CB 3.82Å
320G90.1Very high82.3Confident14 Ų1461.9 Ų61.914%0.14433%0.33CS..EExtended strand (participates in β ladder)trans-67.5152.6177.900000113.6
321L89.6Confident81Confident3 Ų360.7 Ų60.72%0.01634%0.338CS..PPolyproline II helixtrans-83.9129.8176.4-63.2172.3000109.5T202 W203 I206 S277 R323 V324 E325T202-L321 HydrophobicContact CG2-CD2 3.58Å; W203-L321 HydrophobicContact CE3-CD1 3.99Å; W203-L321 HydrophobicContact CZ3-CD1 4.42Å; I206-L321 HydrophobicContact CG1-CD1 4.13Å; S277-L321 WeakPolarHBondContact OG-CD1 3.23Å; L321-R323 PolarHBondContact O-N 2.92Å; L321-V324 HydrophobicContact CB-CB 4.32Å; L321-V324 HydrophobicContact CB-CG2 3.97Å; L321-V324 HydrophobicContact CD1-CG2 4.32Å; L321-V324 PolarHBondContact O-N 2.79Å; L321-E325 PolarHBondContact O-N 2.77Å
322R86.8Confident80.1Confident112 Ų11264.6 Ų64.642%0.42336%0.359SS..Hα-helixtrans-54.9-35.1-175.5-60.6-176.8-159.1173.66.2112.6A195 E196 D199 V324A195-R322 PolarHBondContact O-NH2 3.25Å; E196-R322 VanDerWaalsContact N-NH2 3.17Å; D199-R322 WeakPolarHBondContact OD1-CG 3.37Å; D199-R322 PolarHBondContact OD1-N 2.99Å; R322-V324 VanDerWaalsContact C-N 3.33Å; R322-V324 PolarHBondContact O-N 3.32Å
323R87.4Confident79.9Confident110 Ų11059.7 Ų59.742%0.41534%0.338SS..Hα-helixtrans-69.5-24.5179.4-66.6172.416894.2-6114D199 N200 W203 L321D199-R323 IonicContact OD2-CZ 2.7Å; D199-R323 IonicContact OD2-NH1 3.7Å; D199-R323 PolarHBondContact OD2-NH1 2.94Å; N200-R323 PolarHBondContact OD1-NH1 3.34Å; N200-R323 PolarHBondContact OD1-NH2 3.25Å; W203-R323 HydrophobicContact CE3-CB 4.17Å; W203-R323 HydrophobicContact CH2-CB 4.27Å; W203-R323 HydrophobicContact CZ3-CB 4.07Å; L321-R323 PolarHBondContact O-N 2.92Å
324V86.2Confident80Confident11 Ų1157.6 Ų57.67%0.06732%0.321CS..Hα-helixtrans-95.5-44.2-179.6-176.50000111.1W203 L263 P265 L321 R322 R326W203-V324 HydrophobicContact CZ3-CG2 3.72Å; L263-V324 HydrophobicContact CB-CG1 4.05Å; L263-V324 HydrophobicContact CB-CG2 4.27Å; L263-V324 HydrophobicContact CD1-CG2 3.97Å; P265-V324 HydrophobicContact CG-CG1 4.44Å; L321-V324 HydrophobicContact CB-CB 4.32Å; L321-V324 HydrophobicContact CB-CG2 3.97Å; L321-V324 HydrophobicContact CD1-CG2 4.32Å; L321-V324 PolarHBondContact O-N 2.79Å; R322-V324 VanDerWaalsContact C-N 3.33Å; R322-V324 PolarHBondContact O-N 3.32Å; V324-R326 VanDerWaalsContact C-N 3.27Å; V324-R326 PolarHBondContact O-N 3Å
325E81.5Confident80.2Confident27 Ų2755.7 Ų55.713%0.12631%0.306CS..Hα-helixtrans-60.2-35.8-174.9-64.3-53.4131.800112.9P265 V266 F267 L321 S327P265-E325 WeakPolarHBondContact CA-OE1 3.38Å; P265-E325 VanDerWaalsContact CB-OE2 3.27Å; P265-E325 WeakPolarHBondContact CB-OE2 3.3Å; V266-E325 PolarHBondContact N-OE1 3.26Å; F267-E325 WeakPolarHBondContact CD2-OE2 3.49Å; L321-E325 PolarHBondContact O-N 2.77Å; E325-S327 PolarHBondContact O-N 3.46Å
326R68.9Low80.2Confident216 Ų21654.8 Ų54.882%0.81530%0.301SS*.  trans56.7-11.4-179.6-63.9176.8-176.7-172.82.4116.2V324V324-R326 VanDerWaalsContact C-N 3.27Å; V324-R326 PolarHBondContact O-N 3Å
327S57.6Low80.2Confident69 Ų6957.9 Ų57.948%0.48332%0.317SS..  trans-106.7127.5170.5-1700000109.9E325 S329E325-S327 PolarHBondContact O-N 3.46Å; S327-S329 PolarHBondContact O-N 3.21Å; S327-S329 PolarHBondContact OG-OG 2.9Å
328G54.5Low80.1Confident81 Ų8158.4 Ų58.484%0.83532%0.32SS*.THydrogen-bonded Turntrans-81.410.8177.800000114.8
329S51.4Low79.8Confident91 Ų9161.4 Ų61.464%0.63635%0.351SS*.THydrogen-bonded Turntrans-92.1-25.9-169.159.20000115.2S327S327-S329 PolarHBondContact O-N 3.21Å; S327-S329 PolarHBondContact OG-OG 2.9Å
330E53Low79.6Confident106 Ų10664.4 Ų64.450%0.49536%0.361SS..  trans-136.290.9-174.6-65.2-174.9172.700109.9F267 D332F267-E330 HydrophobicContact CD1-CB 4.42Å; F267-E330 WeakPolarHBondContact CD1-OE2 3.41Å; F267-E330 HydrophobicContact CD2-CB 4.35Å; F267-E330 HydrophobicContact CE1-CB 4.22Å; F267-E330 HydrophobicContact CE2-CB 4.17Å; F267-E330 WeakPolarHBondContact CE2-O 3.35Å; F267-E330 HydrophobicContact CG-CB 4.47Å; F267-E330 HydrophobicContact CZ-CB 4.09Å; E330-D332 VanDerWaalsContact C-N 3.35Å
331T58.6Low79.5Confident118 Ų11864.7 Ų64.772%0.72436%0.361SS*.  trans-99.622.4172.862.80000112.3
332D74.3Confident79.3Confident87 Ų8774.2 Ų74.247%0.46540%0.402SS..SBendtrans-75.5170.4176.5-1680.3000109.7F267 K283 E330F267-D332 WeakPolarHBondContact CE2-O 3.39Å; F267-D332 HydrophobicContact CZ-CB 3.97Å; F267-D332 WeakPolarHBondContact CZ-O 3.48Å; K283-D332 WeakPolarHBondContact CE-OD1 3.32Å; K283-D332 WeakPolarHBondContact CE-OD2 3.42Å; K283-D332 IonicContact NZ-OD1 3.38Å; K283-D332 PolarHBondContact NZ-OD1 2.61Å; K283-D332 IonicContact NZ-OD2 2.93Å; K283-D332 PolarHBondContact NZ-OD2 2.87Å; E330-D332 VanDerWaalsContact C-N 3.35Å
333A87.8Confident79.1Confident7 Ų775.2 Ų75.26%0.05842%0.416CS..EExtended strand (participates in β ladder)trans-92.4139.8172.500000110.4K283 A317 L318 V319K283-A333 HydrophobicContact CD-CB 4.32Å; K283-A333 VanDerWaalsContact CD-O 3.23Å; K283-A333 WeakPolarHBondContact CD-O 3.4Å; K283-A333 PolarHBondContact NZ-O 3.09Å; A317-A333 HydrophobicContact CB-CB 3.51Å; L318-A333 CarbonylContact O-C 3.56Å; L318-A333 WeakPolarHBondContact O-CA 3.48Å; V319-A333 HydrophobicContact CG2-CB 3.82Å
334V92.2Very high79Confident2 Ų271 Ų711%0.01240%0.401CS..EExtended strand (participates in β ladder)trans-96127.4172.5-176.20000109.2V266 F267 A317 L318 L336 L367V266-V334 HydrophobicContact CB-CG2 4.41Å; V266-V334 HydrophobicContact CG1-CB 3.52Å; V266-V334 HydrophobicContact CG1-CG2 3.43Å; V266-V334 VanDerWaalsContact CG1-CG2 3.43Å; F267-V334 HydrophobicContact CD1-CG2 3.56Å; F267-V334 HydrophobicContact CD2-CG2 4.17Å; F267-V334 HydrophobicContact CE1-CG2 3.44Å; F267-V334 VanDerWaalsContact CE1-CG2 3.44Å; F267-V334 HydrophobicContact CE2-CG2 4.07Å; F267-V334 HydrophobicContact CG-CG2 3.93Å; F267-V334 HydrophobicContact CZ-CG2 3.7Å; A317-V334 CarbonylContact C-O 3.59Å; A317-V334 WeakPolarHBondContact CA-O 3.49Å; A317-V334 WeakPolarHBondContact CB-O 3.24Å; L318-V334 PolarHBondContact N-O 2.9Å; L318-V334 PolarHBondContact O-N 2.97Å; V334-L336 PolarHBondContact O-N 2.88Å; V334-L367 HydrophobicContact CB-CG 4.37Å; V334-L367 HydrophobicContact CG1-CG 3.96Å
335P94.6Very high78.8Confident55 Ų5575 Ų7536%0.35743%0.431SS..EExtended strand (participates in β ladder)trans-50.3137.3174.8-28.735.5000113V316 L367V316-P335 WeakPolarHBondContact O-CA 3.3Å; P335-L367 PolarHBondContact O-N 3.38Å
336L94.7Very high79Confident6 Ų676.7 Ų76.73%0.03144%0.444CS..EExtended strand (participates in β ladder)trans-110.2108.9179.8-178.565.4000109.7V316 L318 V334 L338 L355 I357 L367 A369V316-L336 HydrophobicContact CB-CB 4.35Å; V316-L336 HydrophobicContact CG1-CB 4.05Å; V316-L336 HydrophobicContact CG1-CD2 4.02Å; V316-L336 PolarHBondContact O-N 2.82Å; L318-L336 HydrophobicContact CD1-CD1 4.12Å; L318-L336 HydrophobicContact CD1-CD2 4.09Å; L318-L336 HydrophobicContact CD2-CD2 4.47Å; L318-L336 HydrophobicContact CG-CB 4.5Å; L318-L336 HydrophobicContact CG-CD2 4.07Å; V334-L336 PolarHBondContact O-N 2.88Å; L336-L338 HydrophobicContact CD2-CD2 3.7Å; L336-L338 HydrophobicContact CD2-CG 4.4Å; L336-L338 HydrophobicContact CG-CD2 3.93Å; L336-L338 HydrophobicContact CG-CG 4.34Å; L336-L338 PolarHBondContact O-N 3.05Å; L336-L355 HydrophobicContact CD2-CD2 3.94Å; L336-I357 HydrophobicContact CD1-CD1 3.55Å; L336-L367 HydrophobicContact CD1-CB 3.7Å; L336-L367 HydrophobicContact CD1-CD1 4.43Å; L336-A369 HydrophobicContact CD1-CB 4.03Å
337D93.5Very high80.2Confident68 Ų6867.9 Ų67.936%0.36441%0.411SS..EExtended strand (participates in β ladder)trans-81.398.5173-176.57.9000110.3G339 F340 L367 A369D337-G339 PolarHBondContact O-N 2.94Å; D337-G339 WeakPolarHBondContact OD1-CA 3.37Å; D337-G339 PolarHBondContact OD1-N 3.48Å; D337-F340 HydrophobicContact CB-CB 4.23Å; D337-F340 WeakPolarHBondContact O-CB 3.48Å; D337-F340 PolarHBondContact OD1-N 3.31Å; D337-L367 PolarHBondContact N-O 3.42Å; D337-A369 PolarHBondContact O-N 2.91Å
338L92Very high82Confident11 Ų1165.7 Ų65.76%0.05840%0.396CS..THydrogen-bonded Turntrans-75.8-7.9173.7-61.9175.1000113.2V316 L336 L344 Y347 I349 A369 I372 I541V316-L338 HydrophobicContact CG2-CD1 3.99Å; L336-L338 HydrophobicContact CD2-CD2 3.7Å; L336-L338 HydrophobicContact CD2-CG 4.4Å; L336-L338 HydrophobicContact CG-CD2 3.93Å; L336-L338 HydrophobicContact CG-CG 4.34Å; L336-L338 PolarHBondContact O-N 3.05Å; L338-L344 HydrophobicContact CD2-CD2 4.19Å; L338-Y347 HydrophobicContact CB-CE1 3.94Å; L338-Y347 HydrophobicContact CD1-CD2 4.19Å; L338-Y347 HydrophobicContact CD1-CE1 4.16Å; L338-Y347 HydrophobicContact CD1-CE2 3.7Å; L338-I349 HydrophobicContact CD1-CD1 3.99Å; L338-A369 HydrophobicContact CD2-CB 4.27Å; L338-I372 HydrophobicContact CD2-CD1 3.99Å; L338-I541 HydrophobicContact CD1-CD1 4.11Å
339G89.4Confident83.9Confident62 Ų6261.9 Ų61.964%0.63936%0.357SS*.THydrogen-bonded Turntrans-96.90175.200000114D337D337-G339 PolarHBondContact O-N 2.94Å; D337-G339 WeakPolarHBondContact OD1-CA 3.37Å; D337-G339 PolarHBondContact OD1-N 3.48Å
340F88.4Confident86Confident97 Ų9757.6 Ų57.643%0.42533%0.326SS..SBendtrans-62.6-49.4-171.9-177-90.1000113.4D337 V360 G368 M370D337-F340 HydrophobicContact CB-CB 4.23Å; D337-F340 WeakPolarHBondContact O-CB 3.48Å; D337-F340 PolarHBondContact OD1-N 3.31Å; F340-V360 HydrophobicContact CD1-CG2 4.37Å; F340-V360 HydrophobicContact CE1-CG2 3.56Å; F340-V360 HydrophobicContact CE2-CG2 4.18Å; F340-V360 HydrophobicContact CZ-CG2 3.43Å; F340-V360 VanDerWaalsContact CZ-CG2 3.43Å; F340-G368 VanDerWaalsContact CB-CA 3.49Å; F340-M370 HydrophobicContact CD1-CE 4.46Å; F340-M370 HydrophobicContact CD1-CG 4.42Å; F340-M370 HydrophobicContact CE1-CE 3.74Å
341S87.3Confident88.1Confident20 Ų2052.8 Ų52.814%0.1430%0.304CS..  trans-101.1140.9172.4-172.70000111.9D343 A369S341-D343 PolarHBondContact O-N 2.92Å; S341-D343 WeakPolarHBondContact OG-CB 3.18Å; S341-D343 PolarHBondContact OG-N 3.43Å; S341-D343 VanDerWaalsContact OG-N 3.09Å; S341-D343 PolarHBondContact OG-OD2 3.33Å; S341-A369 PolarHBondContact N-O 3.2Å
342K84.7Confident89.8Confident203 Ų20347.1 Ų47.188%0.88327%0.27SS*.THydrogen-bonded Turntrans-71.4-17.4169.6-64.3-177.6-179.2178.50112.8L344K342-L344 VanDerWaalsContact C-N 3.32Å
343D82.6Confident90.8Very high133 Ų13343.6 Ų43.671%0.71125%0.25SS*.THydrogen-bonded Turntrans-76.7-22.5-177.6-50.7-43.8000111.9S341 S345S341-D343 PolarHBondContact O-N 2.92Å; S341-D343 WeakPolarHBondContact OG-CB 3.18Å; S341-D343 PolarHBondContact OG-N 3.43Å; S341-D343 VanDerWaalsContact OG-N 3.09Å; S341-D343 PolarHBondContact OG-OD2 3.33Å; D343-S345 PolarHBondContact O-N 3.39Å
344L86.5Confident91.3Very high20 Ų2043.4 Ų43.411%0.10525%0.248CC..  trans-75.466176.1-169.563.2000111.2L338 K342 Y347 A369 I372L338-L344 HydrophobicContact CD2-CD2 4.19Å; K342-L344 VanDerWaalsContact C-N 3.32Å; L344-Y347 HydrophobicContact CD2-CD1 4.4Å; L344-Y347 HydrophobicContact CG-CD1 4.36Å; L344-A369 HydrophobicContact CD2-CB 3.78Å; L344-I372 HydrophobicContact CD1-CB 4.28Å; L344-I372 HydrophobicContact CD1-CD1 4.05Å; L344-I372 HydrophobicContact CD1-CG1 3.86Å; L344-I372 HydrophobicContact CD2-CD1 4.03Å; L344-I372 HydrophobicContact CD2-CG1 4.31Å
345S80.8Confident91.4Very high97 Ų9743.3 Ų43.368%0.67825%0.248SC*.  trans-76.1-28.3-169.855.20000114.9D343 G544D343-S345 PolarHBondContact O-N 3.39Å; S345-G544 WeakPolarHBondContact O-CA 3.32Å
346C87.4Confident91.5Very high62 Ų6240.8 Ų40.842%0.41923%0.231SC..  trans-137.6136.2171.9152.20000111A543 C545C346-A543 VanDerWaalsContact CA-O 3.26Å; C346-A543 WeakPolarHBondContact CA-O 3.39Å; C346-C545 HydrophobicContact CB-CB 4.22Å; C346-C545 WeakPolarHBondContact CB-SG 3.3Å; C346-C545 VanDerWaalsContact SG-CA 3.53Å; C346-C545 WeakPolarHBondContact SG-CB 3.37Å; C346-C545 CovalentContact SG-SG 2.06Å; C346-C545 PolarHBondContact SG-SG 3.01Å
347Y92.9Very high91.5Very high31 Ų3140.5 Ų40.512%0.12223%0.23CC..EExtended strand (participates in β ladder)trans-144.7155.3168.763.7-101.1000110.3L338 L344 I541 S542 A543 C545L338-Y347 HydrophobicContact CB-CE1 3.94Å; L338-Y347 HydrophobicContact CD1-CD2 4.19Å; L338-Y347 HydrophobicContact CD1-CE1 4.16Å; L338-Y347 HydrophobicContact CD1-CE2 3.7Å; L344-Y347 HydrophobicContact CD2-CD1 4.4Å; L344-Y347 HydrophobicContact CG-CD1 4.36Å; Y347-I541 HydrophobicContact CE2-CD1 4.29Å; Y347-I541 HydrophobicContact CE2-CG1 4.32Å; Y347-S542 CarbonylContact O-C 3.53Å; Y347-S542 WeakPolarHBondContact O-CA 3.21Å; Y347-S542 WeakPolarHBondContact O-CB 3.44Å; Y347-A543 HydrophobicContact CD1-CB 4.12Å; Y347-A543 HydrophobicContact CE1-CB 3.54Å; Y347-A543 HydrophobicContact CE2-CB 4.09Å; Y347-A543 PolarHBondContact N-O 3.12Å; Y347-A543 VanDerWaalsContact N-O 3.15Å; Y347-A543 PolarHBondContact O-N 3.05Å; Y347-C545 PolarHBondContact N-SG 3.29Å; Y347-C545 VanDerWaalsContact N-SG 3.43Å; Y347-C545 PolarHBondContact O-SG 2.85Å
348S94.6Very high91.6Very high23 Ų2338 Ų3816%0.16122%0.216CC..EExtended strand (participates in β ladder)trans-143.4119166.3171.70000106.7E540 I541 H557S348-E540 PolarHBondContact OG-OE1 3.4Å; S348-I541 WeakPolarHBondContact CA-O 2.97Å; S348-H557 PolarHBondContact O-CE1 3.03Å; S348-H557 VanDerWaalsContact O-CE1 3.29Å; S348-H557 PolarHBondContact OG-NE2 3.49Å
349I95.7Very high91.7Very high1 Ų137.5 Ų37.51%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-136.6152.9-179.664.6173.1000111.7V280 L311 V316 L338 L355 E540 I541V280-I349 HydrophobicContact CG1-CD1 4.28Å; V280-I349 HydrophobicContact CG2-CD1 4.26Å; L311-I349 HydrophobicContact CD2-CG1 4.48Å; V316-I349 HydrophobicContact CG1-CD1 3.79Å; L338-I349 HydrophobicContact CD1-CD1 3.99Å; I349-L355 HydrophobicContact CG2-CD1 3.8Å; I349-E540 WeakPolarHBondContact O-CA 3.4Å; I349-I541 HydrophobicContact CD1-CD1 4.16Å; I349-I541 HydrophobicContact CD1-CG1 4.32Å; I349-I541 HydrophobicContact CG1-CD1 4.01Å; I349-I541 HydrophobicContact CG1-CG1 3.61Å; I349-I541 PolarHBondContact N-O 2.94Å; I349-I541 PolarHBondContact O-N 2.81Å
350Y96Very high92Very high1 Ų134.9 Ų34.90%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-130.5159.1179.864.1-89.2000112.9V280 G352 Q353 L536 E539 H557 P566V280-Y350 WeakPolarHBondContact CB-O 3.26Å; V280-Y350 WeakPolarHBondContact CG1-O 3.44Å; Y350-G352 PolarHBondContact O-N 3.02Å; Y350-Q353 HydrophobicContact CD1-CB 3.98Å; Y350-Q353 HydrophobicContact CD1-CG 4.17Å; Y350-Q353 VanDerWaalsContact CD1-OE1 3.28Å; Y350-Q353 HydrophobicContact CD2-CB 3.99Å; Y350-Q353 HydrophobicContact CE1-CB 3.72Å; Y350-Q353 VanDerWaalsContact CE1-CD 3.48Å; Y350-Q353 HydrophobicContact CE1-CG 3.6Å; Y350-Q353 HydrophobicContact CE2-CB 3.71Å; Y350-Q353 HydrophobicContact CE2-CG 4.37Å; Y350-Q353 HydrophobicContact CG-CB 4.1Å; Y350-Q353 WeakPolarHBondContact O-CB 3.13Å; Y350-Q353 PolarHBondContact O-N 3.09Å; Y350-Q353 VanDerWaalsContact O-N 3.14Å; Y350-L536 HydrophobicContact CD1-CD2 4.03Å; Y350-L536 HydrophobicContact CD2-CD2 3.67Å; Y350-L536 HydrophobicContact CE1-CD2 4.49Å; Y350-L536 HydrophobicContact CE2-CD2 4.19Å; Y350-L536 HydrophobicContact CG-CD2 3.61Å; Y350-E539 WeakPolarHBondContact CA-O 3.4Å; Y350-H557 HydrophobicContact CD1-CB 4Å; Y350-H557 AromaticContact CD1-CD2 3.8Å; Y350-H557 AromaticContact CD1-CE1 3.97Å; Y350-H557 AromaticContact CD1-CG 3.58Å; Y350-H557 AromaticContact CD1-ND1 3.71Å; Y350-H557 HydrophobicContact CE1-CB 3.71Å; Y350-H557 AromaticContact CE1-CG 3.61Å; Y350-H557 AromaticContact CE1-ND1 3.57Å; Y350-P566 HydrophobicContact CE2-CB 4.01Å; Y350-P566 HydrophobicContact CE2-CG 4.34Å
351S95.4Very high92.3Very high4 Ų430.3 Ų30.33%0.02816%0.164CC..THydrogen-bonded Turntrans-62.2124.1179.5-157.30000111.7E539 H568S351-E539 PolarHBondContact N-O 2.94Å; S351-H568 CarbonylContact C-O 3.47Å; S351-H568 PolarHBondContact O-N 2.8Å; S351-H568 PolarHBondContact OG-O 2.93Å
352G94.5Very high92.5Very high0 Ų032.3 Ų32.30%018%0.177CC..THydrogen-bonded Turntrans95-8.3-175.900000115.4R279 V280 Y350 H568R279-G352 WeakPolarHBondContact CD-O 3.45Å; R279-G352 WeakPolarHBondContact CG-O 3.38Å; V280-G352 WeakPolarHBondContact O-CA 3.25Å; V280-G352 PolarHBondContact O-N 3.07Å; Y350-G352 PolarHBondContact O-N 3.02Å; G352-H568 WeakPolarHBondContact CA-O 3.35Å; G352-H568 PolarHBondContact N-O 3.05Å; G352-H568 VanDerWaalsContact N-O 3.14Å
353Q96.8Very high92.7Very high13 Ų1325.9 Ų25.96%0.06116%0.155CC..  trans-63.2132.5-176.1-176.1174.8-1.900113.3R279 V280 Y350 L355 I375R279-Q353 WeakPolarHBondContact CA-O 3.39Å; V280-Q353 HydrophobicContact CB-CB 4.35Å; V280-Q353 HydrophobicContact CG2-CB 4.15Å; V280-Q353 PolarHBondContact N-O 3.01Å; Y350-Q353 HydrophobicContact CD1-CB 3.98Å; Y350-Q353 HydrophobicContact CD1-CG 4.17Å; Y350-Q353 VanDerWaalsContact CD1-OE1 3.28Å; Y350-Q353 HydrophobicContact CD2-CB 3.99Å; Y350-Q353 HydrophobicContact CE1-CB 3.72Å; Y350-Q353 VanDerWaalsContact CE1-CD 3.48Å; Y350-Q353 HydrophobicContact CE1-CG 3.6Å; Y350-Q353 HydrophobicContact CE2-CB 3.71Å; Y350-Q353 HydrophobicContact CE2-CG 4.37Å; Y350-Q353 HydrophobicContact CG-CB 4.1Å; Y350-Q353 WeakPolarHBondContact O-CB 3.13Å; Y350-Q353 PolarHBondContact O-N 3.09Å; Y350-Q353 VanDerWaalsContact O-N 3.14Å; Q353-L355 PolarHBondContact O-N 2.81Å; Q353-I375 HydrophobicContact CG-CD1 4.47Å
354P96.5Very high92.9Very high2 Ų219.8 Ų19.81%0.01312%0.123CC..EExtended strand (participates in β ladder)trans-64.3120.6163.5-21.134.6000110.6W201 T202 T205 I206W201-P354 HydrophobicContact CE3-CG 3.92Å; W201-P354 HydrophobicContact CH2-CG 3.91Å; W201-P354 HydrophobicContact CZ2-CG 4.47Å; W201-P354 HydrophobicContact CZ3-CG 3.59Å; T202-P354 HydrophobicContact CG2-CB 3.64Å; T202-P354 HydrophobicContact CG2-CG 3.94Å; T205-P354 HydrophobicContact CG2-CB 3.68Å; T205-P354 HydrophobicContact CG2-CG 3.9Å; I206-P354 HydrophobicContact CD1-CB 4.49Å
355L95.6Very high93Very high1 Ų124.8 Ų24.81%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-125.6129.5-175.8-157.473.3000111.1I206 S277 G278 V280 L318 L336 I349 Q353 I357 I372I206-L355 WeakPolarHBondContact CD1-O 3.36Å; S277-L355 WeakPolarHBondContact CA-O 3.39Å; G278-L355 PolarHBondContact N-O 3.01Å; G278-L355 PolarHBondContact O-N 3.19Å; V280-L355 HydrophobicContact CG2-CB 4.05Å; V280-L355 HydrophobicContact CG2-CD2 4.04Å; V280-L355 HydrophobicContact CG2-CG 4.49Å; L318-L355 HydrophobicContact CD1-CD2 4.49Å; L318-L355 HydrophobicContact CD2-CB 3.99Å; L318-L355 HydrophobicContact CD2-CD2 4.02Å; L336-L355 HydrophobicContact CD2-CD2 3.94Å; I349-L355 HydrophobicContact CG2-CD1 3.8Å; Q353-L355 PolarHBondContact O-N 2.81Å; L355-I357 HydrophobicContact CD2-CG2 3.61Å; L355-I357 HydrophobicContact CG-CG2 3.85Å; L355-I372 HydrophobicContact CD1-CG2 3.66Å; L355-I372 HydrophobicContact CG-CG2 4.34Å
356L95.8Very high93.5Very high1 Ų122.5 Ų22.51%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-110.2127.3166.1-176.470.8000108I206 V209 L210 I213 L263 L275 F373I206-L356 HydrophobicContact CD1-CB 3.93Å; V209-L356 HydrophobicContact CB-CD2 4.19Å; V209-L356 HydrophobicContact CG1-CB 4.16Å; V209-L356 HydrophobicContact CG1-CD2 3.6Å; L210-L356 HydrophobicContact CD2-CD2 3.83Å; L210-L356 HydrophobicContact CG-CD2 4.2Å; I213-L356 HydrophobicContact CD1-CD2 3.53Å; L263-L356 HydrophobicContact CD2-CD1 3.56Å; L275-L356 HydrophobicContact CB-CD1 4.38Å; L356-F373 HydrophobicContact CB-CB 4.31Å; L356-F373 HydrophobicContact CB-CD2 4.31Å; L356-F373 HydrophobicContact CD2-CB 4.26Å; L356-F373 HydrophobicContact CD2-CD2 3.89Å; L356-F373 HydrophobicContact CD2-CG 4.15Å; L356-F373 HydrophobicContact CG-CD2 3.8Å; L356-F373 HydrophobicContact CG-CG 4.43Å; L356-F373 PolarHBondContact O-N 3.23Å
357I95.1Very high93.8Very high0 Ų019.6 Ų19.60%011%0.11CC..EExtended strand (participates in β ladder)trans-123.6152.1178.670.8175.2000110.7L275 I276 L318 L336 L355 L367 E371 I372L275-I357 WeakPolarHBondContact CA-O 3.41Å; I276-I357 HydrophobicContact CB-CD1 4.43Å; I276-I357 HydrophobicContact CB-CG1 3.95Å; I276-I357 PolarHBondContact N-O 3.08Å; I276-I357 PolarHBondContact O-N 3.42Å; L318-I357 HydrophobicContact CD1-CD1 3.96Å; L336-I357 HydrophobicContact CD1-CD1 3.55Å; L355-I357 HydrophobicContact CD2-CG2 3.61Å; L355-I357 HydrophobicContact CG-CG2 3.85Å; I357-L367 HydrophobicContact CD1-CB 4.49Å; I357-L367 HydrophobicContact CD1-CD1 4.28Å; I357-E371 CarbonylContact C-O 3.46Å; I357-E371 VanDerWaalsContact CA-O 3.22Å; I357-E371 WeakPolarHBondContact CA-O 3.29Å; I357-E371 WeakPolarHBondContact CB-O 3.47Å; I357-I372 HydrophobicContact CG2-CG1 4.05Å
358R94.8Very high93.9Very high17 Ų1718.2 Ų18.26%0.06411%0.105CC..EExtended strand (participates in β ladder)trans-91.1129.7152.7-167.1-179-61.5-87.2-10.9107.1S217 E220 P273 S274 M370 E371 F373S217-R358 PolarHBondContact O-NH1 3.09Å; S217-R358 PolarHBondContact O-NH2 3.25Å; E220-R358 IonicContact OE1-NH1 3.77Å; E220-R358 WeakPolarHBondContact OE2-CD 3.34Å; E220-R358 IonicContact OE2-CZ 2.69Å; E220-R358 IonicContact OE2-NE 3.9Å; E220-R358 IonicContact OE2-NH1 2.69Å; E220-R358 PolarHBondContact OE2-NH1 2.91Å; P273-R358 HydrophobicContact CB-CG 3.97Å; S274-R358 WeakPolarHBondContact O-CA 3.31Å; R358-M370 WeakPolarHBondContact O-CB 3.38Å; R358-M370 PolarHBondContact O-N 2.77Å; R358-E371 HydrophobicContact CB-CB 3.68Å; R358-E371 IonicContact CZ-OE2 3.74Å; R358-E371 PolarHBondContact N-O 3.39Å; R358-E371 IonicContact NE-OE2 3.94Å; R358-E371 PolarHBondContact NE-OE2 3.18Å; R358-E371 IonicContact NH2-OE2 3.17Å; R358-E371 PolarHBondContact O-N 2.83Å; R358-E371 VanDerWaalsContact O-N 3.14Å; R358-F373 HydrophobicContact CB-CE2 4.13Å; R358-F373 HydrophobicContact CB-CZ 4.48Å
359G94.4Very high94Very high0 Ų017.1 Ų17.10%010%0.098CC..EExtended strand (participates in β ladder)trans-168.9-176.4-178.300000113.8S274 G368S274-G359 PolarHBondContact N-O 3Å; S274-G359 PolarHBondContact O-N 2.78Å; G359-G368 CarbonylContact C-O 3.55Å; G359-G368 WeakPolarHBondContact CA-O 3.36Å
360V95.3Very high93.9Very high7 Ų719.5 Ų19.54%0.04211%0.109CC..EExtended strand (participates in β ladder)trans-128.6155.2178.1-67.80000110.5F340 P362 G368 M370F340-V360 HydrophobicContact CD1-CG2 4.37Å; F340-V360 HydrophobicContact CE1-CG2 3.56Å; F340-V360 HydrophobicContact CE2-CG2 4.18Å; F340-V360 HydrophobicContact CZ-CG2 3.43Å; F340-V360 VanDerWaalsContact CZ-CG2 3.43Å; V360-P362 HydrophobicContact CG2-CG 4.34Å; V360-G368 PolarHBondContact N-O 3.19Å; V360-G368 PolarHBondContact O-N 3Å; V360-M370 HydrophobicContact CB-CE 4.43Å; V360-M370 HydrophobicContact CG1-CE 3.65Å; V360-M370 HydrophobicContact CG1-SD 4.44Å; V360-M370 HydrophobicContact CG2-CE 3.96Å
361N94.8Very high93.8Very high0 Ų023.1 Ų23.10%013%0.126CC..EExtended strand (participates in β ladder)trans-137.877172.1-168.3-6.7000109.8V266 S268 R269 V270 T363 G364 H365 S366 L367V266-N361 PolarHBondContact O-ND2 2.61Å; S268-N361 WeakPolarHBondContact O-CB 3.42Å; S268-N361 PolarHBondContact O-ND2 2.77Å; R269-N361 CarbonylContact C-O 3.34Å; R269-N361 VanDerWaalsContact CA-O 3.28Å; R269-N361 WeakPolarHBondContact CA-O 3.25Å; V270-N361 PolarHBondContact N-O 2.83Å; V270-N361 CarbonylContact O-C 3.56Å; V270-N361 PolarHBondContact O-N 2.81Å; N361-T363 PolarHBondContact O-N 2.9Å; N361-G364 VanDerWaalsContact ND2-C 3.31Å; N361-G364 WeakPolarHBondContact ND2-CA 3.32Å; N361-G364 PolarHBondContact ND2-O 3.39Å; N361-G364 WeakPolarHBondContact OD1-CA 3.44Å; N361-G364 PolarHBondContact OD1-N 3.28Å; N361-H365 PolarHBondContact OD1-N 2.92Å; N361-H365 VanDerWaalsContact OD1-N 3.12Å; N361-S366 PolarHBondContact OD1-N 3.02Å; N361-S366 PolarHBondContact OD1-O 2.87Å; N361-S366 VanDerWaalsContact OD1-O 3.07Å; N361-L367 HydrophobicContact CB-CD2 3.6Å; N361-L367 WeakPolarHBondContact ND2-CD2 3.47Å
362P92.3Very high93.7Very high63 Ų6324.6 Ų24.641%0.40913%0.134SC..SBendtrans-64.4-29.3-173.9-23.735.4000113.5L271 V360L271-P362 HydrophobicContact CD2-CB 4.06Å; V360-P362 HydrophobicContact CG2-CG 4.34Å
363T89.4Confident93.7Very high68 Ų6825.8 Ų25.842%0.41714%0.139SC..SBendtrans-94.9-25.3-175.658.70000113.7R269 N361 H365 S366R269-T363 PolarHBondContact NE-O 3.3Å; R269-T363 PolarHBondContact NH2-O 3.42Å; R269-T363 VanDerWaalsContact NH2-O 3.15Å; N361-T363 PolarHBondContact O-N 2.9Å; T363-H365 VanDerWaalsContact C-N 3.31Å; T363-H365 PolarHBondContact O-CD2 2.85Å; T363-H365 PolarHBondContact OG1-N 2.69Å; T363-H365 VanDerWaalsContact OG1-N 3.08Å; T363-S366 PolarHBondContact OG1-N 2.86Å
364G86.9Confident93.5Very high5 Ų531.5 Ų31.55%0.05217%0.166CC..SBendtrans88.9-5.8-16500000113.1N361N361-G364 VanDerWaalsContact ND2-C 3.31Å; N361-G364 WeakPolarHBondContact ND2-CA 3.32Å; N361-G364 PolarHBondContact ND2-O 3.39Å; N361-G364 WeakPolarHBondContact OD1-CA 3.44Å; N361-G364 PolarHBondContact OD1-N 3.28Å
365H87.6Confident93.4Very high124 Ų12432.1 Ų32.157%0.57417%0.169SC*.SBendtrans-127.60.6-167.2-51.5-53.3000114.6N361 T363N361-H365 PolarHBondContact OD1-N 2.92Å; N361-H365 VanDerWaalsContact OD1-N 3.12Å; T363-H365 VanDerWaalsContact C-N 3.31Å; T363-H365 PolarHBondContact O-CD2 2.85Å; T363-H365 PolarHBondContact OG1-N 2.69Å; T363-H365 VanDerWaalsContact OG1-N 3.08Å
366S92Very high93.3Very high49 Ų4933.7 Ų33.734%0.34318%0.179SC..  trans-154.4123.1174.5-170.10000110.1N361 T363N361-S366 PolarHBondContact OD1-N 3.02Å; N361-S366 PolarHBondContact OD1-O 2.87Å; N361-S366 VanDerWaalsContact OD1-O 3.07Å; T363-S366 PolarHBondContact OG1-N 2.86Å
367L94Very high93.2Very high1 Ų135.4 Ų35.41%0.00519%0.188CC..EExtended strand (participates in β ladder)trans-86.4115.5178.2-66-174.2000110.3V266 I276 L318 V334 P335 L336 D337 I357 N361V266-L367 HydrophobicContact CG1-CD1 3.69Å; V266-L367 HydrophobicContact CG1-CG 4.4Å; I276-L367 HydrophobicContact CD1-CD2 3.74Å; I276-L367 HydrophobicContact CG2-CD1 4.01Å; L318-L367 HydrophobicContact CB-CD1 4.14Å; L318-L367 HydrophobicContact CD1-CD1 3.76Å; L318-L367 HydrophobicContact CG-CD1 4.39Å; V334-L367 HydrophobicContact CB-CG 4.37Å; V334-L367 HydrophobicContact CG1-CG 3.96Å; P335-L367 PolarHBondContact O-N 3.38Å; L336-L367 HydrophobicContact CD1-CB 3.7Å; L336-L367 HydrophobicContact CD1-CD1 4.43Å; D337-L367 PolarHBondContact N-O 3.42Å; I357-L367 HydrophobicContact CD1-CB 4.49Å; I357-L367 HydrophobicContact CD1-CD1 4.28Å; N361-L367 HydrophobicContact CB-CD2 3.6Å; N361-L367 WeakPolarHBondContact ND2-CD2 3.47Å
368G95Very high93Very high2 Ų238.5 Ų38.52%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-83.5111.3169.300000110.8F340 G359 V360F340-G368 VanDerWaalsContact CB-CA 3.49Å; G359-G368 CarbonylContact C-O 3.55Å; G359-G368 WeakPolarHBondContact CA-O 3.36Å; V360-G368 PolarHBondContact N-O 3.19Å; V360-G368 PolarHBondContact O-N 3Å
369A95.1Very high92.9Very high0 Ų043.8 Ų43.80%023%0.232CC..EExtended strand (participates in β ladder)trans-77.8134.3178.100000111.6L336 D337 L338 S341 L344L336-A369 HydrophobicContact CD1-CB 4.03Å; D337-A369 PolarHBondContact O-N 2.91Å; L338-A369 HydrophobicContact CD2-CB 4.27Å; S341-A369 PolarHBondContact N-O 3.2Å; L344-A369 HydrophobicContact CD2-CB 3.78Å
370M94Very high92.9Very high51 Ų5144.2 Ų44.225%0.25124%0.236SC..EExtended strand (participates in β ladder)trans-114.4-42.3174.5-63172.716900111.6P273 F340 R358 V360P273-M370 HydrophobicContact CB-SD 3.8Å; P273-M370 HydrophobicContact CG-CE 4.12Å; P273-M370 HydrophobicContact CG-SD 3.74Å; F340-M370 HydrophobicContact CD1-CE 4.46Å; F340-M370 HydrophobicContact CD1-CG 4.42Å; F340-M370 HydrophobicContact CE1-CE 3.74Å; R358-M370 WeakPolarHBondContact O-CB 3.38Å; R358-M370 PolarHBondContact O-N 2.77Å; V360-M370 HydrophobicContact CB-CE 4.43Å; V360-M370 HydrophobicContact CG1-CE 3.65Å; V360-M370 HydrophobicContact CG1-SD 4.44Å; V360-M370 HydrophobicContact CG2-CE 3.96Å
371E94Very high92.8Very high78 Ų7846 Ų4636%0.36425%0.247SC..EExtended strand (participates in β ladder)trans-140.4143.2-178.8-167.6-175.6-173.200108.9I357 R358 F373I357-E371 CarbonylContact C-O 3.46Å; I357-E371 VanDerWaalsContact CA-O 3.22Å; I357-E371 WeakPolarHBondContact CA-O 3.29Å; I357-E371 WeakPolarHBondContact CB-O 3.47Å; R358-E371 HydrophobicContact CB-CB 3.68Å; R358-E371 IonicContact CZ-OE2 3.74Å; R358-E371 PolarHBondContact N-O 3.39Å; R358-E371 IonicContact NE-OE2 3.94Å; R358-E371 PolarHBondContact NE-OE2 3.18Å; R358-E371 IonicContact NH2-OE2 3.17Å; R358-E371 PolarHBondContact O-N 2.83Å; R358-E371 VanDerWaalsContact O-N 3.14Å; E371-F373 HydrophobicContact CG-CZ 4.32Å; E371-F373 WeakPolarHBondContact OE1-CE1 3.48Å; E371-F373 WeakPolarHBondContact OE2-CZ 3.44Å
372I94.4Very high92.6Very high35 Ų3552.3 Ų52.318%0.17928%0.275CS..EExtended strand (participates in β ladder)trans-118.4119.8172-65.5177.6000108.3L338 L344 L355 I357L338-I372 HydrophobicContact CD2-CD1 3.99Å; L344-I372 HydrophobicContact CD1-CB 4.28Å; L344-I372 HydrophobicContact CD1-CD1 4.05Å; L344-I372 HydrophobicContact CD1-CG1 3.86Å; L344-I372 HydrophobicContact CD2-CD1 4.03Å; L344-I372 HydrophobicContact CD2-CG1 4.31Å; L355-I372 HydrophobicContact CD1-CG2 3.66Å; L355-I372 HydrophobicContact CG-CG2 4.34Å; I357-I372 HydrophobicContact CG2-CG1 4.05Å
373F94Very high92.3Very high24 Ų2449.3 Ų49.311%0.10526%0.255CS..EExtended strand (participates in β ladder)trans-80.2128.6178.6-63.4-83.8000110.4V209 I213 L275 L356 R358 E371V209-F373 HydrophobicContact CG1-CB 3.56Å; V209-F373 HydrophobicContact CG1-CG 4.44Å; I213-F373 HydrophobicContact CD1-CB 4.49Å; I213-F373 HydrophobicContact CD1-CD1 3.53Å; I213-F373 HydrophobicContact CD1-CD2 4.24Å; I213-F373 HydrophobicContact CD1-CE1 3.73Å; I213-F373 HydrophobicContact CD1-CE2 4.41Å; I213-F373 HydrophobicContact CD1-CG 3.81Å; I213-F373 HydrophobicContact CD1-CZ 4.17Å; I213-F373 HydrophobicContact CG1-CD1 3.85Å; I213-F373 HydrophobicContact CG1-CE1 4.1Å; L275-F373 HydrophobicContact CD2-CD2 4.32Å; L275-F373 HydrophobicContact CD2-CE2 3.37Å; L275-F373 HydrophobicContact CD2-CZ 3.74Å; L356-F373 HydrophobicContact CB-CB 4.31Å; L356-F373 HydrophobicContact CB-CD2 4.31Å; L356-F373 HydrophobicContact CD2-CB 4.26Å; L356-F373 HydrophobicContact CD2-CD2 3.89Å; L356-F373 HydrophobicContact CD2-CG 4.15Å; L356-F373 HydrophobicContact CG-CD2 3.8Å; L356-F373 HydrophobicContact CG-CG 4.43Å; L356-F373 PolarHBondContact O-N 3.23Å; R358-F373 HydrophobicContact CB-CE2 4.13Å; R358-F373 HydrophobicContact CB-CZ 4.48Å; E371-F373 HydrophobicContact CG-CZ 4.32Å; E371-F373 WeakPolarHBondContact OE1-CE1 3.48Å; E371-F373 WeakPolarHBondContact OE2-CZ 3.44Å
374Q92.8Very high92.1Very high134 Ų13448.2 Ų48.263%0.62625%0.247SC*.PPolyproline II helixtrans-72.6143.4176.8-63.3-168.610.600111.1
375I94.5Very high91.7Very high15 Ų1551.5 Ų51.58%0.07727%0.267CS..PPolyproline II helixtrans-74.3124.9170.8-56.8162.5000108.4T205 V209 Q353 A560T205-I375 HydrophobicContact CG2-CD1 3.76Å; T205-I375 HydrophobicContact CG2-CG1 3.98Å; T205-I375 HydrophobicContact CG2-CG2 3.89Å; V209-I375 HydrophobicContact CG2-CB 4.4Å; V209-I375 HydrophobicContact CG2-CG1 3.98Å; Q353-I375 HydrophobicContact CG-CD1 4.47Å; I375-A560 HydrophobicContact CB-CB 3.93Å; I375-A560 HydrophobicContact CG2-CB 4.09Å; I375-A560 WeakPolarHBondContact CG2-O 3.48Å
376P93Very high91.1Very high34 Ų3452.6 Ų52.622%0.22128%0.277CS..PPolyproline II helixtrans-70.2136.3-179.828.2-34.4000111.1R208 N212R208-P376 HydrophobicContact CB-CG 4.42Å; R208-P376 PolarHBondContact NH1-O 2.85Å; R208-P376 WeakPolarHBondContact O-CG 3.48Å; N212-P376 HydrophobicContact CB-CG 4.31Å; N212-P376 WeakPolarHBondContact ND2-CG 3.41Å
377I93.9Very high90.5Very high37 Ų3755.8 Ų55.819%0.1929%0.285CS..PPolyproline II helixtrans-89.7122.7173.3-65.6167.8000108.3R556 L559 A560 D608I377-R556 HydrophobicContact CD1-CG 3.65Å; I377-L559 HydrophobicContact CD1-CB 3.95Å; I377-L559 HydrophobicContact CG1-CB 4.14Å; I377-L559 HydrophobicContact CG2-CB 4.15Å; I377-A560 HydrophobicContact CD1-CB 4.27Å; I377-A560 HydrophobicContact CG1-CB 3.7Å; I377-D608 HydrophobicContact CD1-CB 4.09Å; I377-D608 WeakPolarHBondContact CD1-OD2 3.38Å; I377-D608 HydrophobicContact CG2-CB 4.44Å
378S91.8Very high89.6Confident64 Ų6456.2 Ų56.245%0.44829%0.288SS..PPolyproline II helixtrans-66.3135.8171-610000109.7T590S378-T590 WeakPolarHBondContact CB-OG1 3.48Å; S378-T590 VanDerWaalsContact O-CB 3.29Å; S378-T590 WeakPolarHBondContact O-CB 3.46Å; S378-T590 WeakPolarHBondContact O-CG2 3.36Å; S378-T590 PolarHBondContact O-OG1 2.69Å
379K92.3Very high88.2Confident128 Ų12860.3 Ų60.356%0.55732%0.317SS*.PPolyproline II helixtrans-61.2150.3174.1-64.4-174.6-179.7-176.80110.6
380P93.8Very high87.4Confident10 Ų1060.6 Ų60.67%0.06532%0.32CS..PPolyproline II helixtrans-57.4163166.1-22.734.3000112.2T590 H592 V610P380-T590 HydrophobicContact CG-CG2 4.19Å; P380-H592 VanDerWaalsContact CB-CD2 3.49Å; P380-H592 WeakPolarHBondContact CB-CD2 3.22Å; P380-V610 HydrophobicContact CG-CG2 3.98Å
381P92.5Very high87.1Confident45 Ų4560.5 Ų60.529%0.29232%0.32SS..PPolyproline II helixtrans-50.4156.5169.2-26.334.1000112.9I383 V524 V589 T590 H592P381-I383 PolarHBondContact O-N 3.03Å; P381-V524 HydrophobicContact CG-CG2 4.38Å; P381-V589 HydrophobicContact CG-CB 4.19Å; P381-V589 HydrophobicContact CG-CG1 4.49Å; P381-V589 HydrophobicContact CG-CG2 4.33Å; P381-T590 WeakPolarHBondContact CD-O 3.41Å; P381-H592 PolarHBondContact O-NE2 3.23Å
382F90.4Very high87Confident131 Ų13156.8 Ų56.858%0.57530%0.303SS*.PPolyproline II helixtrans-71.7128.9173176.9-91.1000109.9N384 S661F382-N384 HydrophobicContact CD1-CB 4.49Å; F382-N384 HydrophobicContact CE1-CB 4.21Å; F382-S661 VanDerWaalsContact CE2-CB 3.48Å
383I87.3Confident87Confident0 Ų055.2 Ų55.20%029%0.294CS..  trans-89.7113.5176.4-52.9171.2000107.7P381 P385 E522 Y523 H592 S661 I664P381-I383 PolarHBondContact O-N 3.03Å; I383-P385 VanDerWaalsContact O-CD 3.22Å; I383-P385 WeakPolarHBondContact O-CD 3.37Å; I383-E522 HydrophobicContact CG2-CB 4.15Å; I383-Y523 HydrophobicContact CD1-CD1 4.3Å; I383-Y523 HydrophobicContact CD1-CE1 4.23Å; I383-Y523 HydrophobicContact CG2-CD1 4.3Å; I383-Y523 HydrophobicContact CG2-CE1 3.72Å; I383-H592 VanDerWaalsContact CG1-NE2 3.27Å; I383-H592 WeakPolarHBondContact CG1-NE2 3.28Å; I383-S661 PolarHBondContact N-O 3.47Å; I383-I664 HydrophobicContact CD1-CB 4.16Å; I383-I664 HydrophobicContact CD1-CG1 4.3Å
384N84.2Confident87.1Confident45 Ų4554 Ų5424%0.24129%0.289CS..  trans-77110.9177.5-175-13.2000111F382 D386 K387 C388F382-N384 HydrophobicContact CD1-CB 4.49Å; F382-N384 HydrophobicContact CE1-CB 4.21Å; N384-D386 VanDerWaalsContact C-N 3.27Å; N384-D386 PolarHBondContact O-N 2.9Å; N384-D386 WeakPolarHBondContact OD1-CB 3.35Å; N384-D386 PolarHBondContact OD1-N 2.94Å; N384-K387 HydrophobicContact CB-CD 4.22Å; N384-K387 HydrophobicContact CB-CG 4.47Å; N384-K387 PolarHBondContact O-N 3.09Å; N384-C388 PolarHBondContact O-SG 3.23Å; N384-C388 VanDerWaalsContact O-SG 3.37Å
385P78.8Confident87.4Confident74 Ų7447.7 Ų47.748%0.48126%0.26SS..G310 helixtrans-63.5-30.2-177.728.4-35.7000112.9I383 K387 C388I383-P385 VanDerWaalsContact O-CD 3.22Å; I383-P385 WeakPolarHBondContact O-CD 3.37Å; P385-K387 PolarHBondContact O-N 2.84Å; P385-K387 VanDerWaalsContact O-N 3.1Å; P385-C388 WeakPolarHBondContact O-CB 3.28Å; P385-C388 PolarHBondContact O-N 3.14Å
386D76.1Confident87.5Confident147 Ų14747 Ų4779%0.78626%0.257SS*.G310 helixtrans-65.6-16.6-178.7-59.4-27.8000112.9N384N384-D386 VanDerWaalsContact C-N 3.27Å; N384-D386 PolarHBondContact O-N 2.9Å; N384-D386 WeakPolarHBondContact OD1-CB 3.35Å; N384-D386 PolarHBondContact OD1-N 2.94Å
387K78.9Confident87.8Confident116 Ų11645.4 Ų45.450%0.50425%0.246SC..G310 helixtrans-103.4-2.9176.6-64.6176.1178.2174.90113.7N384 P385 S389 E522N384-K387 HydrophobicContact CB-CD 4.22Å; N384-K387 HydrophobicContact CB-CG 4.47Å; N384-K387 PolarHBondContact O-N 3.09Å; P385-K387 PolarHBondContact O-N 2.84Å; P385-K387 VanDerWaalsContact O-N 3.1Å; K387-S389 PolarHBondContact O-N 2.99Å; K387-S389 PolarHBondContact O-OG 2.67Å; K387-E522 HydrophobicContact CB-CG 3.96Å; K387-E522 HydrophobicContact CD-CG 3.93Å; K387-E522 WeakPolarHBondContact CD-OE1 3.32Å; K387-E522 VanDerWaalsContact CD-OE2 3.3Å; K387-E522 WeakPolarHBondContact CD-OE2 3.47Å; K387-E522 IonicContact NZ-OE1 3.32Å; K387-E522 PolarHBondContact NZ-OE1 3.33Å; K387-E522 IonicContact NZ-OE2 3.11Å; K387-E522 PolarHBondContact NZ-OE2 3.38Å
388C74.4Confident88Confident10 Ų1043.7 Ų43.77%0.06824%0.237CC..  trans-80.356.7-180-67.40000110.8N384 P385 G390 Y523 G634 R667N384-C388 PolarHBondContact O-SG 3.23Å; N384-C388 VanDerWaalsContact O-SG 3.37Å; P385-C388 WeakPolarHBondContact O-CB 3.28Å; P385-C388 PolarHBondContact O-N 3.14Å; C388-G390 PolarHBondContact O-N 3.25Å; C388-Y523 PolarHBondContact SG-OH 2.69Å; C388-Y523 VanDerWaalsContact SG-OH 3.33Å; C388-G634 VanDerWaalsContact CB-O 3.25Å; C388-G634 WeakPolarHBondContact CB-O 3.28Å; C388-G634 WeakPolarHBondContact O-CA 3.41Å; C388-R667 PolarHBondContact SG-NH1 3.41Å
389S66.5Low88.2Confident89 Ų8940.7 Ų40.762%0.62222%0.216SC*.  trans-74.53.5-161.5-48.40000116.5I170 K387I170-S389 VanDerWaalsContact CD1-C 3.43Å; I170-S389 WeakPolarHBondContact CD1-O 3.47Å; K387-S389 PolarHBondContact O-N 2.99Å; K387-S389 PolarHBondContact O-OG 2.67Å
390G78.9Confident88.4Confident6 Ų635.4 Ų35.46%0.06220%0.195CC..SBendtrans176.3178.4177.200000112.9C388C388-G390 PolarHBondContact O-N 3.25Å
391N87.6Confident88.5Confident48 Ų4835.1 Ų35.126%0.25719%0.193SC..  trans-83.8125.5-173.4-63.7-13.3000111.7H425 V632 N633 G634N391-H425 PolarHBondContact O-CE1 3.28Å; N391-V632 WeakPolarHBondContact CA-O 3.2Å; N391-N633 VanDerWaalsContact OD1-CA 3.28Å; N391-N633 WeakPolarHBondContact OD1-CA 3.26Å; N391-G634 PolarHBondContact OD1-N 2.93Å
392L91.3Very high88.6Confident0 Ų033.4 Ų33.40%018%0.181CC..EExtended strand (participates in β ladder)trans-94.5133.8174.617159.5000109.6W172 I394 H425 V426 I520 Y523 V631 V632W172-L392 HydrophobicContact CB-CD1 4.14Å; W172-L392 HydrophobicContact CD2-CB 4.24Å; W172-L392 HydrophobicContact CD2-CD1 3.67Å; W172-L392 HydrophobicContact CD2-CG 4.38Å; W172-L392 HydrophobicContact CE3-CB 4.27Å; W172-L392 HydrophobicContact CE3-CD1 3.98Å; W172-L392 HydrophobicContact CE3-CD2 4.15Å; W172-L392 HydrophobicContact CE3-CG 4.36Å; W172-L392 HydrophobicContact CG-CD1 3.75Å; W172-L392 HydrophobicContact CH2-CB 3.85Å; W172-L392 HydrophobicContact CZ2-CB 3.8Å; W172-L392 HydrophobicContact CZ3-CB 4.08Å; W172-L392 HydrophobicContact CZ3-CD2 4.23Å; L392-I394 HydrophobicContact CD1-CD1 4.46Å; L392-I394 HydrophobicContact CD1-CG1 3.95Å; L392-I394 HydrophobicContact CD2-CD1 3.96Å; L392-I394 HydrophobicContact CD2-CG1 4.31Å; L392-I394 HydrophobicContact CG-CD1 4.1Å; L392-I394 HydrophobicContact CG-CG1 3.91Å; L392-H425 HydrophobicContact CD1-CB 4.31Å; L392-V426 HydrophobicContact CD1-CG2 4.28Å; L392-I520 HydrophobicContact CD1-CG2 3.95Å; L392-I520 HydrophobicContact CD2-CB 4.17Å; L392-I520 HydrophobicContact CD2-CG2 3.68Å; L392-Y523 HydrophobicContact CD2-CD2 3.86Å; L392-Y523 HydrophobicContact CD2-CE2 4.44Å; L392-V631 CarbonylContact O-C 3.59Å; L392-V631 VanDerWaalsContact O-CA 3.28Å; L392-V631 WeakPolarHBondContact O-CA 3.38Å; L392-V632 HydrophobicContact CB-CB 4.34Å; L392-V632 PolarHBondContact N-O 3.13Å; L392-V632 PolarHBondContact O-N 2.91Å
393H93.8Very high88.8Confident2 Ų228.2 Ų28.21%0.00916%0.159CC..EExtended strand (participates in β ladder)trans-128.1117.9179.7173.6-163.9000109.1I166 C422 H425 V426 E629 V631I166-H393 HydrophobicContact CD1-CB 4.32Å; I166-H393 WeakPolarHBondContact CD1-ND1 3.32Å; H393-C422 PolarHBondContact CE1-O 3.41Å; H393-H425 PolarHBondContact N-ND1 3.3Å; H393-H425 WeakPolarHBondContact O-CB 3.44Å; H393-H425 PolarHBondContact O-N 3.48Å; H393-V426 PolarHBondContact O-N 3.39Å; H393-E629 IonicContact CE1-OE1 3.35Å; H393-E629 VanDerWaalsContact NE2-CG 3.35Å; H393-E629 WeakPolarHBondContact NE2-CG 3.38Å; H393-E629 IonicContact NE2-OE1 3.24Å; H393-E629 PolarHBondContact NE2-OE1 2.78Å; H393-V631 HydrophobicContact CB-CG2 3.83Å
394I96.8Very high88.9Confident0 Ų030.2 Ų30.20%017%0.173CC..EExtended strand (participates in β ladder)trans-121.3131.2-176.7-50.5170000108.8L392 V396 V426 I428 I520 F525 I630L392-I394 HydrophobicContact CD1-CD1 4.46Å; L392-I394 HydrophobicContact CD1-CG1 3.95Å; L392-I394 HydrophobicContact CD2-CD1 3.96Å; L392-I394 HydrophobicContact CD2-CG1 4.31Å; L392-I394 HydrophobicContact CG-CD1 4.1Å; L392-I394 HydrophobicContact CG-CG1 3.91Å; I394-V396 HydrophobicContact CG2-CG2 3.8Å; I394-V426 CarbonylContact C-O 3.35Å; I394-V426 VanDerWaalsContact CA-O 3.26Å; I394-V426 WeakPolarHBondContact CA-O 3.49Å; I394-V426 HydrophobicContact CG1-CB 4.31Å; I394-V426 HydrophobicContact CG2-CB 4.31Å; I394-I428 HydrophobicContact CG2-CD1 3.7Å; I394-I428 HydrophobicContact CG2-CG1 3.81Å; I394-I520 HydrophobicContact CD1-CD1 4.14Å; I394-F525 HydrophobicContact CD1-CE1 3.75Å; I394-F525 HydrophobicContact CD1-CE2 3.74Å; I394-F525 HydrophobicContact CD1-CZ 3.31Å; I394-I630 HydrophobicContact CB-CB 4.34Å; I394-I630 PolarHBondContact N-O 2.86Å; I394-I630 PolarHBondContact O-N 2.82Å
395M97.6Very high89.2Confident0 Ų032.5 Ų32.50%019%0.186CC..EExtended strand (participates in β ladder)trans-100.8139.2162.5-75.9176.268.800109.8L415 C418 V419 C422 P424 V426 L427 I428 Y627 A628M395-L415 HydrophobicContact CE-CD1 4.33Å; M395-C418 HydrophobicContact CE-CB 4.17Å; M395-V419 HydrophobicContact CE-CG2 3.61Å; M395-V419 HydrophobicContact SD-CG2 3.9Å; M395-C422 HydrophobicContact SD-CB 3.7Å; M395-P424 HydrophobicContact CB-CB 4.24Å; M395-P424 HydrophobicContact CB-CG 4.07Å; M395-P424 HydrophobicContact CG-CB 3.9Å; M395-P424 HydrophobicContact CG-CG 3.85Å; M395-P424 HydrophobicContact SD-CB 4.21Å; M395-P424 HydrophobicContact SD-CG 3.62Å; M395-V426 PolarHBondContact N-O 2.79Å; M395-L427 HydrophobicContact CB-CD1 3.72Å; M395-I428 PolarHBondContact O-N 2.85Å; M395-Y627 HydrophobicContact CE-CD2 3.78Å; M395-Y627 HydrophobicContact CE-CE2 3.64Å; M395-A628 CarbonylContact C-O 3.52Å; M395-A628 WeakPolarHBondContact CA-O 3.09Å
396V98.3Very high89.7Confident2 Ų230.6 Ų30.61%0.01217%0.174CC..EExtended strand (participates in β ladder)trans-130.8125.8-178.2-172.20000110I394 I428 L430 I595 A628 I630I394-V396 HydrophobicContact CG2-CG2 3.8Å; V396-I428 WeakPolarHBondContact CA-O 3.5Å; V396-I428 HydrophobicContact CG1-CB 4.4Å; V396-I428 HydrophobicContact CG2-CB 4.29Å; V396-I428 HydrophobicContact CG2-CD1 4.34Å; V396-L430 HydrophobicContact CG1-CD1 3.95Å; V396-I595 HydrophobicContact CG1-CG1 4.46Å; V396-I595 HydrophobicContact CG1-CG2 3.81Å; V396-A628 PolarHBondContact N-O 3.05Å; V396-A628 PolarHBondContact O-N 2.82Å; V396-I630 HydrophobicContact CG2-CD1 3.77Å
397A98.2Very high90.1Very high0 Ų026 Ų260%015%0.148CC..EExtended strand (participates in β ladder)trans-137.9152.2177.200000111.3Y401 L415 I428 L429 L430 V618A397-Y401 PolarHBondContact O-OH 2.65Å; A397-L415 HydrophobicContact CB-CD1 4.1Å; A397-L415 HydrophobicContact CB-CD2 3.48Å; A397-L415 VanDerWaalsContact CB-CD2 3.48Å; A397-L415 HydrophobicContact CB-CG 4.46Å; A397-I428 PolarHBondContact N-O 3.5Å; A397-L429 HydrophobicContact CB-CD2 3.94Å; A397-L429 WeakPolarHBondContact O-CA 3.36Å; A397-L430 WeakPolarHBondContact O-CD1 3.4Å; A397-L430 PolarHBondContact O-N 3.41Å; A397-V618 HydrophobicContact CB-CG2 3.85Å
398C98.3Very high90.4Very high1 Ų125 Ų251%0.00715%0.148CC..EExtended strand (participates in β ladder)trans-128.1138.1179.1-172.40000109.9L430 G431 P597 Y617 V618C398-L430 HydrophobicContact CB-CB 4.17Å; C398-G431 PolarHBondContact SG-O 3.01Å; C398-G431 VanDerWaalsContact SG-O 3.34Å; C398-P597 HydrophobicContact CB-CB 3.63Å; C398-P597 HydrophobicContact CB-CG 3.77Å; C398-P597 VanDerWaalsContact SG-CB 3.55Å; C398-Y617 HydrophobicContact CB-CD1 3.94Å; C398-Y617 HydrophobicContact CB-CE1 4.38Å; C398-Y617 WeakPolarHBondContact O-CA 3.44Å; C398-V618 PolarHBondContact O-N 3.34Å
399G96.5Very high91.1Very high0 Ų025.5 Ų25.50%015%0.151CC..SBendtrans-64.8168.6173.900000112.7L430 Y617G399-L430 PolarHBondContact N-O 3.46Å; G399-Y617 WeakPolarHBondContact O-CD1 3.44Å
400P96.7Very high92.3Very high18 Ų1823 Ų2312%0.11713%0.132CC..  cis-71.5146.311.6-20.334.5000113.9P432 D435 V618 S619P400-P432 WeakPolarHBondContact CA-O 3.23Å; P400-P432 HydrophobicContact CG-CG 4.18Å; P400-D435 HydrophobicContact CB-CB 4.41Å; P400-D435 HydrophobicContact CG-CB 4.47Å; P400-D435 VanDerWaalsContact CG-OD2 3.26Å; P400-D435 WeakPolarHBondContact CG-OD2 3.39Å; P400-V618 WeakPolarHBondContact O-CB 3.41Å; P400-S619 VanDerWaalsContact O-CB 3.31Å; P400-S619 WeakPolarHBondContact O-CB 3.45Å; P400-S619 PolarHBondContact O-N 2.7Å; P400-S619 PolarHBondContact O-OG 2.72Å
401Y96.4Very high92.9Very high3 Ų322.7 Ų22.71%0.01213%0.129CC..  trans-100.21.6177.6-60.3-92.3000114.2A397 G411 L412 L415 L429 L430 P432 F433 V618A397-Y401 PolarHBondContact O-OH 2.65Å; Y401-G411 WeakPolarHBondContact O-CA 3.39Å; Y401-G411 PolarHBondContact O-N 3.17Å; Y401-L412 HydrophobicContact CD1-CB 4.35Å; Y401-L412 HydrophobicContact CD1-CD1 3.5Å; Y401-L412 HydrophobicContact CE1-CD1 3.93Å; Y401-L412 HydrophobicContact CG-CD1 4.01Å; Y401-L412 PolarHBondContact O-N 3.01Å; Y401-L415 HydrophobicContact CD1-CD2 4.45Å; Y401-L415 HydrophobicContact CE1-CD2 3.92Å; Y401-L429 HydrophobicContact CE1-CD2 4.24Å; Y401-L429 WeakPolarHBondContact OH-CB 3.16Å; Y401-L430 VanDerWaalsContact CE2-O 3.3Å; Y401-L430 WeakPolarHBondContact CE2-O 3.37Å; Y401-L430 PolarHBondContact OH-N 2.7Å; Y401-L430 PolarHBondContact OH-O 3.32Å; Y401-P432 VanDerWaalsContact CD2-O 3.3Å; Y401-P432 WeakPolarHBondContact CD2-O 3.46Å; Y401-F433 HydrophobicContact CD2-CD1 4.11Å; Y401-F433 HydrophobicContact CD2-CE1 4.48Å; Y401-F433 HydrophobicContact CD2-CG 4.25Å; Y401-F433 HydrophobicContact CE2-CD1 4.11Å; Y401-F433 HydrophobicContact CE2-CD2 4.23Å; Y401-F433 HydrophobicContact CE2-CE1 4.14Å; Y401-F433 HydrophobicContact CE2-CE2 4.24Å; Y401-F433 HydrophobicContact CE2-CG 4.17Å; Y401-F433 HydrophobicContact CE2-CZ 4.22Å; Y401-V618 HydrophobicContact CD1-CB 4.03Å; Y401-V618 HydrophobicContact CD1-CG1 3.83Å; Y401-V618 HydrophobicContact CD1-CG2 3.87Å; Y401-V618 HydrophobicContact CE1-CB 4.35Å; Y401-V618 HydrophobicContact CE1-CG2 3.75Å; Y401-V618 HydrophobicContact CG-CG1 4.4Å
402T93.8Very high93.2Very high9 Ų920.4 Ų20.46%0.05512%0.117CC..SBendtrans-114.2156.517170.70000109.6S406 D408 H438 S619T402-S406 WeakPolarHBondContact CB-O 3.09Å; T402-D408 WeakPolarHBondContact CG2-O 3.48Å; T402-H438 PolarHBondContact OG1-CD2 3Å; T402-S619 WeakPolarHBondContact O-CB 3.17Å; T402-S619 PolarHBondContact O-OG 3.09Å
403L93.8Very high93.3Very high22 Ų2221.4 Ų21.412%0.11512%0.121CC..  trans-80156.1171.6-61.3178.9000109.6N405 S406 H438 G621 F624L403-N405 WeakPolarHBondContact CB-OD1 3.43Å; L403-N405 PolarHBondContact O-N 3.32Å; L403-S406 PolarHBondContact O-N 2.82Å; L403-H438 PolarHBondContact O-NE2 3Å; L403-H438 VanDerWaalsContact O-NE2 3.13Å; L403-G621 CarbonylContact C-O 3.59Å; L403-G621 WeakPolarHBondContact CA-O 3.38Å; L403-F624 HydrophobicContact CD1-CE1 4.22Å; L403-F624 HydrophobicContact CD1-CZ 4.05Å; L403-F624 HydrophobicContact CD2-CD1 3.95Å; L403-F624 HydrophobicContact CD2-CE1 3.88Å; L403-F624 HydrophobicContact CD2-CZ 4.46Å; L403-F624 HydrophobicContact CG-CE1 4.13Å; L403-F624 HydrophobicContact CG-CZ 4.45Å
404S91.1Very high93.2Very high42 Ų4222.6 Ų22.629%0.29413%0.127SC..THydrogen-bonded Turntrans-66-10.3-178.956.40000114.9P439 G621 E622S404-P439 VanDerWaalsContact O-CG 3.22Å; S404-P439 WeakPolarHBondContact O-CG 3.43Å; S404-G621 PolarHBondContact N-O 3.43Å; S404-G621 WeakPolarHBondContact OG-CA 3.26Å; S404-G621 PolarHBondContact OG-O 3.28Å; S404-E622 WeakPolarHBondContact OG-CG 3.5Å; S404-E622 PolarHBondContact OG-N 3.42Å
405N90.5Very high93.2Very high94 Ų9422.6 Ų22.650%0.50313%0.128SC..THydrogen-bonded Turntrans-110.53.2-179.861.48.7000113.8L403 E622L403-N405 WeakPolarHBondContact CB-OD1 3.43Å; L403-N405 PolarHBondContact O-N 3.32Å; N405-E622 HydrophobicContact CB-CG 4.4Å; N405-E622 PolarHBondContact ND2-OE1 2.85Å
406S87.9Confident93Very high33 Ų3322.8 Ų22.823%0.23113%0.129CC..  trans-148.3146.8173.3-1720000113.2T402 L403 D408 H438T402-S406 WeakPolarHBondContact CB-O 3.09Å; L403-S406 PolarHBondContact O-N 2.82Å; S406-D408 PolarHBondContact OG-N 3.36Å; S406-D408 VanDerWaalsContact OG-N 3.08Å; S406-D408 PolarHBondContact OG-OD2 3.19Å; S406-H438 PolarHBondContact O-NE2 2.98Å
407H84.5Confident92.8Very high52 Ų5226 Ų2624%0.24114%0.14CC..  trans-78.3-7.2169.5-65.1-70.3000113.4H438 G440 Y444 R456H407-H438 AromaticContact CE1-CE1 3.41Å; H407-H438 PolarHBondContact CE1-CE1 2.92Å; H407-H438 VanDerWaalsContact CE1-CE1 3.41Å; H407-H438 AromaticContact CE1-ND1 3.64Å; H407-H438 AromaticContact ND1-CE1 3.58Å; H407-H438 AromaticContact ND1-ND1 3.94Å; H407-G440 VanDerWaalsContact CE1-C 3.41Å; H407-G440 PolarHBondContact CE1-O 2.73Å; H407-G440 PolarHBondContact NE2-O 3Å; H407-Y444 HydrophobicContact CB-CD2 4.31Å; H407-Y444 AromaticContact CG-CD2 3.94Å; H407-R456 PolarHBondContact O-NH2 3.49Å
408D86.5Confident92.6Very high94 Ų9426.8 Ų26.850%0.50315%0.146SC..SBendtrans-66.3132.2-179.2-51.7-40.2000110.7T402 S406 T410T402-D408 WeakPolarHBondContact CG2-O 3.48Å; S406-D408 PolarHBondContact OG-N 3.36Å; S406-D408 VanDerWaalsContact OG-N 3.08Å; S406-D408 PolarHBondContact OG-OD2 3.19Å; D408-T410 WeakPolarHBondContact CB-OG1 3.43Å; D408-T410 PolarHBondContact O-N 2.87Å
409P88.2Confident92.4Very high20 Ų2026.8 Ų26.813%0.1315%0.146CC..  trans-77.640.6176.834.6-35.6000112.3G411 L412 F413 R456P409-G411 PolarHBondContact O-N 2.92Å; P409-L412 HydrophobicContact CB-CB 4.04Å; P409-L412 HydrophobicContact CB-CD2 4.36Å; P409-L412 WeakPolarHBondContact O-CA 3.26Å; P409-L412 WeakPolarHBondContact O-CB 3.46Å; P409-L412 PolarHBondContact O-N 3.25Å; P409-F413 HydrophobicContact CG-CD2 4.4Å; P409-F413 HydrophobicContact CG-CE1 4.36Å; P409-F413 HydrophobicContact CG-CE2 3.75Å; P409-F413 HydrophobicContact CG-CZ 3.73Å; P409-F413 PolarHBondContact O-N 2.88Å; P409-R456 HydrophobicContact CB-CG 4.33Å
410T91Very high92.2Very high36 Ų3630.8 Ų30.822%0.22116%0.163CC..Hα-helixtrans-58.8-35.3-177.9-46.90000112.2D408 L412 F413 N414 F624D408-T410 WeakPolarHBondContact CB-OG1 3.43Å; D408-T410 PolarHBondContact O-N 2.87Å; T410-L412 VanDerWaalsContact C-N 3.34Å; T410-F413 PolarHBondContact O-N 2.83Å; T410-N414 WeakPolarHBondContact O-CB 3.4Å; T410-N414 VanDerWaalsContact O-CG 3.3Å; T410-N414 PolarHBondContact O-N 3.35Å; T410-N414 PolarHBondContact O-OD1 3.32Å; T410-F624 HydrophobicContact CG2-CE1 4.36Å; T410-F624 HydrophobicContact CG2-CZ 3.84Å
411G91.5Very high91.9Very high0 Ų037.3 Ų37.30%019%0.192CC..Hα-helixtrans-64.8-37.4173.500000112.4Y401 P409 L415 L675Y401-G411 WeakPolarHBondContact O-CA 3.39Å; Y401-G411 PolarHBondContact O-N 3.17Å; P409-G411 PolarHBondContact O-N 2.92Å; G411-L415 WeakPolarHBondContact O-CB 3.36Å; G411-L415 PolarHBondContact O-N 2.94Å; G411-L415 VanDerWaalsContact O-N 3.09Å; G411-L675 WeakPolarHBondContact O-CD2 3.37Å
412L94.2Very high91.5Very high0 Ų038.4 Ų38.40%020%0.2CC..Hα-helixtrans-64.6-45.7172.9-164.359000111.2Y401 P409 T410 L415 L416 L429 F433 R456 V460Y401-L412 HydrophobicContact CD1-CB 4.35Å; Y401-L412 HydrophobicContact CD1-CD1 3.5Å; Y401-L412 HydrophobicContact CE1-CD1 3.93Å; Y401-L412 HydrophobicContact CG-CD1 4.01Å; Y401-L412 PolarHBondContact O-N 3.01Å; P409-L412 HydrophobicContact CB-CB 4.04Å; P409-L412 HydrophobicContact CB-CD2 4.36Å; P409-L412 WeakPolarHBondContact O-CA 3.26Å; P409-L412 WeakPolarHBondContact O-CB 3.46Å; P409-L412 PolarHBondContact O-N 3.25Å; T410-L412 VanDerWaalsContact C-N 3.34Å; L412-L415 WeakPolarHBondContact O-CB 3.47Å; L412-L415 PolarHBondContact O-N 2.89Å; L412-L416 WeakPolarHBondContact O-CG 3.38Å; L412-L416 PolarHBondContact O-N 2.61Å; L412-L429 HydrophobicContact CD1-CD1 4.49Å; L412-F433 HydrophobicContact CD1-CE1 4.37Å; L412-R456 HydrophobicContact CD2-CB 4.11Å; L412-V460 HydrophobicContact CD1-CG2 3.71Å; L412-V460 HydrophobicContact CD2-CG2 3.7Å; L412-V460 HydrophobicContact CG-CG2 3.85Å
413F93Very high91.4Very high22 Ų2244.1 Ų44.110%0.09622%0.224CC..Hα-helixtrans-67.7-40.6-179.3-62.9-31.8000112.9M97 L101 P409 T410 L415 L416 R417M97-F413 HydrophobicContact CE-CD1 4.43Å; M97-F413 HydrophobicContact CE-CE1 3.82Å; M97-F413 HydrophobicContact CE-CZ 4.47Å; L101-F413 HydrophobicContact CD2-CB 4.21Å; P409-F413 HydrophobicContact CG-CD2 4.4Å; P409-F413 HydrophobicContact CG-CE1 4.36Å; P409-F413 HydrophobicContact CG-CE2 3.75Å; P409-F413 HydrophobicContact CG-CZ 3.73Å; P409-F413 PolarHBondContact O-N 2.88Å; T410-F413 PolarHBondContact O-N 2.83Å; F413-L415 VanDerWaalsContact C-N 3.29Å; F413-L415 PolarHBondContact O-N 3.45Å; F413-L416 HydrophobicContact CD1-CD1 4.43Å; F413-L416 PolarHBondContact O-N 3.45Å; F413-R417 PolarHBondContact O-N 2.69Å
414N93.4Very high91.5Very high26 Ų2643.2 Ų43.214%0.13922%0.219CC..Hα-helixtrans-58-44.6171.5-72.24000110.6T410 L416 R417 C418 F624 L675T410-N414 WeakPolarHBondContact O-CB 3.4Å; T410-N414 VanDerWaalsContact O-CG 3.3Å; T410-N414 PolarHBondContact O-N 3.35Å; T410-N414 PolarHBondContact O-OD1 3.32Å; N414-L416 VanDerWaalsContact C-N 3.35Å; N414-L416 PolarHBondContact O-N 2.82Å; N414-R417 WeakPolarHBondContact O-CB 3.24Å; N414-R417 PolarHBondContact O-N 2.69Å; N414-R417 VanDerWaalsContact O-N 3.14Å; N414-R417 PolarHBondContact OD1-NH1 3.38Å; N414-C418 PolarHBondContact O-N 2.63Å; N414-C418 VanDerWaalsContact O-N 3.16Å; N414-F624 WeakPolarHBondContact ND2-CZ 3.27Å; N414-L675 HydrophobicContact CB-CD1 3.84Å; N414-L675 HydrophobicContact CB-CD2 4.2Å; N414-L675 HydrophobicContact CB-CG 3.95Å
415L95.2Very high91.6Very high1 Ų143.1 Ų43.11%0.00521%0.214CC..Hα-helixtrans-63-41.7178.2179.367.5000111.3M395 A397 Y401 G411 L412 F413 R417 C418 V419 L429 V618 Y627 L675M395-L415 HydrophobicContact CE-CD1 4.33Å; A397-L415 HydrophobicContact CB-CD1 4.1Å; A397-L415 HydrophobicContact CB-CD2 3.48Å; A397-L415 VanDerWaalsContact CB-CD2 3.48Å; A397-L415 HydrophobicContact CB-CG 4.46Å; Y401-L415 HydrophobicContact CD1-CD2 4.45Å; Y401-L415 HydrophobicContact CE1-CD2 3.92Å; G411-L415 WeakPolarHBondContact O-CB 3.36Å; G411-L415 PolarHBondContact O-N 2.94Å; G411-L415 VanDerWaalsContact O-N 3.09Å; L412-L415 WeakPolarHBondContact O-CB 3.47Å; L412-L415 PolarHBondContact O-N 2.89Å; F413-L415 VanDerWaalsContact C-N 3.29Å; F413-L415 PolarHBondContact O-N 3.45Å; L415-R417 VanDerWaalsContact C-N 3.3Å; L415-R417 PolarHBondContact O-N 2.93Å; L415-C418 WeakPolarHBondContact O-CB 3.37Å; L415-C418 PolarHBondContact O-N 2.93Å; L415-C418 VanDerWaalsContact O-N 3.14Å; L415-V419 VanDerWaalsContact O-CG2 3.32Å; L415-V419 WeakPolarHBondContact O-CG2 3.38Å; L415-V419 PolarHBondContact O-N 2.81Å; L415-L429 HydrophobicContact CD2-CD2 3.71Å; L415-V618 HydrophobicContact CD2-CG2 4.2Å; L415-Y627 HydrophobicContact CD1-CD1 4.04Å; L415-Y627 HydrophobicContact CD1-CG 3.94Å; L415-L675 HydrophobicContact CB-CD1 4.22Å; L415-L675 HydrophobicContact CB-CD2 4.5Å
416L94.9Very high91.9Very high4 Ų438.6 Ų38.62%0.02119%0.19CC..Hα-helixtrans-64.4-30.3176-69.3179.1000112.9L412 F413 N414 V419 K420 V460 W463L412-L416 WeakPolarHBondContact O-CG 3.38Å; L412-L416 PolarHBondContact O-N 2.61Å; F413-L416 HydrophobicContact CD1-CD1 4.43Å; F413-L416 PolarHBondContact O-N 3.45Å; N414-L416 VanDerWaalsContact C-N 3.35Å; N414-L416 PolarHBondContact O-N 2.82Å; L416-V419 PolarHBondContact O-N 2.88Å; L416-K420 PolarHBondContact O-N 3.16Å; L416-V460 HydrophobicContact CD1-CG2 4.25Å; L416-V460 HydrophobicContact CD2-CG1 4.28Å; L416-V460 HydrophobicContact CD2-CG2 4.42Å; L416-W463 HydrophobicContact CB-CD2 4.37Å; L416-W463 HydrophobicContact CB-CG 4.3Å; L416-W463 HydrophobicContact CD1-CB 4.28Å; L416-W463 HydrophobicContact CD1-CG 4.22Å; L416-W463 HydrophobicContact CD2-CB 4.26Å; L416-W463 HydrophobicContact CD2-CG 4.09Å; L416-W463 HydrophobicContact CG-CG 4.43Å; L416-W463 PolarHBondContact O-NE1 3.23Å
417R93.5Very high92.3Very high69 Ų6937 Ų3726%0.2618%0.179SC..Hα-helixtrans-63.9-46.8168.9-66-169.2-175.1108.3-14.8111.2E105 F413 N414 L415 V419 K420 Q421E105-R417 IonicContact OE1-CZ 3.87Å; E105-R417 IonicContact OE1-NE 2.65Å; E105-R417 IonicContact OE1-NH2 3.3Å; E105-R417 PolarHBondContact OE1-NH2 3.2Å; F413-R417 PolarHBondContact O-N 2.69Å; N414-R417 WeakPolarHBondContact O-CB 3.24Å; N414-R417 PolarHBondContact O-N 2.69Å; N414-R417 VanDerWaalsContact O-N 3.14Å; N414-R417 PolarHBondContact OD1-NH1 3.38Å; L415-R417 VanDerWaalsContact C-N 3.3Å; L415-R417 PolarHBondContact O-N 2.93Å; R417-V419 VanDerWaalsContact C-N 3.31Å; R417-V419 PolarHBondContact O-N 2.88Å; R417-K420 WeakPolarHBondContact O-CB 3.2Å; R417-K420 PolarHBondContact O-N 3.41Å; R417-Q421 WeakPolarHBondContact O-CG 3.07Å; R417-Q421 PolarHBondContact O-N 2.94Å; R417-Q421 VanDerWaalsContact O-N 3.14Å
418C93.2Very high93Very high17 Ų1734.6 Ų34.612%0.11517%0.168CC..Hα-helixtrans-59.4-41.6174.5-59.50000111.6M395 N414 L415 K420 Q421 C422 Y627M395-C418 HydrophobicContact CE-CB 4.17Å; N414-C418 PolarHBondContact O-N 2.63Å; N414-C418 VanDerWaalsContact O-N 3.16Å; L415-C418 WeakPolarHBondContact O-CB 3.37Å; L415-C418 PolarHBondContact O-N 2.93Å; L415-C418 VanDerWaalsContact O-N 3.14Å; C418-K420 PolarHBondContact O-N 3.46Å; C418-Q421 PolarHBondContact O-N 3.17Å; C418-Q421 VanDerWaalsContact O-N 3.17Å; C418-C422 WeakPolarHBondContact O-CB 3.4Å; C418-C422 PolarHBondContact O-N 3.38Å; C418-C422 PolarHBondContact O-SG 3.35Å; C418-Y627 HydrophobicContact CB-CE1 4.22Å
419V94.4Very high93.6Very high0 Ų030.1 Ų30.10%014%0.144CC..Hα-helixtrans-62.8-39.7175.4173.30000112.2M395 L415 L416 R417 Q421 K423 P424 L427 L467 I469M395-V419 HydrophobicContact CE-CG2 3.61Å; M395-V419 HydrophobicContact SD-CG2 3.9Å; L415-V419 VanDerWaalsContact O-CG2 3.32Å; L415-V419 WeakPolarHBondContact O-CG2 3.38Å; L415-V419 PolarHBondContact O-N 2.81Å; L416-V419 PolarHBondContact O-N 2.88Å; R417-V419 VanDerWaalsContact C-N 3.31Å; R417-V419 PolarHBondContact O-N 2.88Å; V419-Q421 VanDerWaalsContact C-N 3.27Å; V419-Q421 PolarHBondContact O-N 3.08Å; V419-K423 WeakPolarHBondContact O-CA 3.4Å; V419-K423 PolarHBondContact O-N 3.1Å; V419-P424 HydrophobicContact CG1-CG 4.38Å; V419-L427 HydrophobicContact CG1-CD2 4.33Å; V419-L427 HydrophobicContact CG2-CD1 3.92Å; V419-L427 HydrophobicContact CG2-CD2 3.91Å; V419-L467 HydrophobicContact CG1-CD1 4.28Å; V419-I469 HydrophobicContact CG1-CD1 3.35Å
420K92.9Very high94.1Very high85 Ų8529.2 Ų29.237%0.3714%0.138SC..Hα-helixtrans-61.1-35173.8-178.8179.3176.3-177.40111.8E42 L416 R417 C418 W463 L467E42-K420 IonicContact OE1-NZ 2.77Å; E42-K420 PolarHBondContact OE1-NZ 3.02Å; L416-K420 PolarHBondContact O-N 3.16Å; R417-K420 WeakPolarHBondContact O-CB 3.2Å; R417-K420 PolarHBondContact O-N 3.41Å; C418-K420 PolarHBondContact O-N 3.46Å; K420-W463 HydrophobicContact CB-CZ2 4.02Å; K420-W463 HydrophobicContact CD-CH2 4.39Å; K420-W463 HydrophobicContact CD-CZ2 3.85Å; K420-W463 HydrophobicContact CG-CZ2 4.41Å; K420-L467 HydrophobicContact CB-CD1 4.26Å
421Q90.2Very high94.3Very high155 Ų15527.5 Ų27.572%0.72413%0.127SC*.Hα-helixtrans-78.6-46178.9-67.4172.9-400112.7R417 C418 V419R417-Q421 WeakPolarHBondContact O-CG 3.07Å; R417-Q421 PolarHBondContact O-N 2.94Å; R417-Q421 VanDerWaalsContact O-N 3.14Å; C418-Q421 PolarHBondContact O-N 3.17Å; C418-Q421 VanDerWaalsContact O-N 3.17Å; V419-Q421 VanDerWaalsContact C-N 3.27Å; V419-Q421 PolarHBondContact O-N 3.08Å
422C88.9Confident94.6Very high26 Ų2627.6 Ų27.618%0.17613%0.128CC..Hα-helixtrans-82.5-27.7-174.3-68.50000114.1H393 M395 C418H393-C422 PolarHBondContact CE1-O 3.41Å; M395-C422 HydrophobicContact SD-CB 3.7Å; C418-C422 WeakPolarHBondContact O-CB 3.4Å; C418-C422 PolarHBondContact O-N 3.38Å; C418-C422 PolarHBondContact O-SG 3.35Å
423K91.8Very high94.7Very high129 Ų12927.8 Ų27.856%0.56113%0.129SC*.  trans44.659.3-177.9-60.9-179.2-178.9175.10113.5V419V419-K423 WeakPolarHBondContact O-CA 3.4Å; V419-K423 PolarHBondContact O-N 3.1Å
424P94.1Very high94.8Very high3 Ų326.7 Ų26.72%0.01912%0.124CC..  trans-62.4154.9176.431.2-39.5000111.9M395 V419 V426 I469M395-P424 HydrophobicContact CB-CB 4.24Å; M395-P424 HydrophobicContact CB-CG 4.07Å; M395-P424 HydrophobicContact CG-CB 3.9Å; M395-P424 HydrophobicContact CG-CG 3.85Å; M395-P424 HydrophobicContact SD-CB 4.21Å; M395-P424 HydrophobicContact SD-CG 3.62Å; V419-P424 HydrophobicContact CG1-CG 4.38Å; P424-V426 VanDerWaalsContact C-N 3.32Å; P424-I469 HydrophobicContact CG-CD1 4.19Å; P424-I469 HydrophobicContact CG-CG2 4.31Å; P424-I469 WeakPolarHBondContact O-CG1 3.45Å
425H94Very high94.9Very high39 Ų3926.1 Ų26.118%0.18112%0.121CC..SBendtrans-67.1-38.5170.5-61.1104.9000111.2W172 N391 L392 H393 R470W172-H425 AromaticContact CD1-CD2 3.62Å; W172-H425 AromaticContact CD1-CG 3.69Å; W172-H425 HydrophobicContact CG-CB 4.46Å; W172-H425 AromaticContact NE1-CD2 3.82Å; W172-H425 AromaticContact NE1-CG 3.96Å; W172-H425 AromaticContact NE1-NE2 3.91Å; N391-H425 PolarHBondContact O-CE1 3.28Å; L392-H425 HydrophobicContact CD1-CB 4.31Å; H393-H425 PolarHBondContact N-ND1 3.3Å; H393-H425 WeakPolarHBondContact O-CB 3.44Å; H393-H425 PolarHBondContact O-N 3.48Å; H425-R470 PolarHBondContact O-N 2.79Å
426V96.4Very high94.9Very high0 Ų028.3 Ų28.30%014%0.136CC..EExtended strand (participates in β ladder)trans-131.9131.8-178.2-172.80000110.3W172 L392 H393 I394 M395 P424 I428 R470 I472 I520W172-V426 HydrophobicContact CB-CG2 4.36Å; L392-V426 HydrophobicContact CD1-CG2 4.28Å; H393-V426 PolarHBondContact O-N 3.39Å; I394-V426 CarbonylContact C-O 3.35Å; I394-V426 VanDerWaalsContact CA-O 3.26Å; I394-V426 WeakPolarHBondContact CA-O 3.49Å; I394-V426 HydrophobicContact CG1-CB 4.31Å; I394-V426 HydrophobicContact CG2-CB 4.31Å; M395-V426 PolarHBondContact N-O 2.79Å; P424-V426 VanDerWaalsContact C-N 3.32Å; V426-I428 HydrophobicContact CG1-CG1 4Å; V426-R470 CarbonylContact C-O 3.56Å; V426-R470 VanDerWaalsContact CA-O 3.3Å; V426-R470 WeakPolarHBondContact CA-O 3.38Å; V426-R470 HydrophobicContact CG2-CB 4.36Å; V426-I472 HydrophobicContact CG1-CD1 3.74Å; V426-I472 HydrophobicContact CG1-CG1 3.95Å; V426-I520 HydrophobicContact CG1-CD1 4.3Å; V426-I520 HydrophobicContact CG2-CD1 4.44Å
427L97.7Very high94.8Very high0 Ų032.9 Ų32.90%016%0.158CC..EExtended strand (participates in β ladder)trans-108.8124.6167.7178.462.7000108.9M395 V419 L429 I469 R470 L471 I472M395-L427 HydrophobicContact CB-CD1 3.72Å; V419-L427 HydrophobicContact CG1-CD2 4.33Å; V419-L427 HydrophobicContact CG2-CD1 3.92Å; V419-L427 HydrophobicContact CG2-CD2 3.91Å; L427-L429 HydrophobicContact CD1-CD2 3.89Å; L427-L429 HydrophobicContact CD2-CD1 4.33Å; L427-L429 HydrophobicContact CD2-CD2 4.18Å; L427-L429 HydrophobicContact CD2-CG 4.25Å; L427-L429 HydrophobicContact CG-CD2 3.95Å; L427-L429 HydrophobicContact CG-CG 4.06Å; L427-I469 HydrophobicContact CB-CG2 3.95Å; L427-R470 PolarHBondContact N-O 3.37Å; L427-L471 HydrophobicContact CB-CD1 4.25Å; L427-L471 HydrophobicContact CD2-CD1 4.05Å; L427-L471 HydrophobicContact CG-CD1 4.11Å; L427-L471 WeakPolarHBondContact O-CA 3.5Å; L427-I472 PolarHBondContact O-N 3.06Å
428I98.3Very high94.8Very high1 Ų130.2 Ų30.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-111.6119.5176.1-49.3-176.9000109I394 M395 V396 A397 V426 L430 I472 I474 L527I394-I428 HydrophobicContact CG2-CD1 3.7Å; I394-I428 HydrophobicContact CG2-CG1 3.81Å; M395-I428 PolarHBondContact O-N 2.85Å; V396-I428 WeakPolarHBondContact CA-O 3.5Å; V396-I428 HydrophobicContact CG1-CB 4.4Å; V396-I428 HydrophobicContact CG2-CB 4.29Å; V396-I428 HydrophobicContact CG2-CD1 4.34Å; A397-I428 PolarHBondContact N-O 3.5Å; V426-I428 HydrophobicContact CG1-CG1 4Å; I428-L430 HydrophobicContact CG2-CD1 4.32Å; I428-I472 WeakPolarHBondContact CA-O 3.39Å; I428-I472 HydrophobicContact CD1-CD1 4.35Å; I428-I472 HydrophobicContact CG1-CB 4.26Å; I428-I472 HydrophobicContact CG1-CD1 4.18Å; I428-I472 HydrophobicContact CG1-CG1 4.48Å; I428-I472 HydrophobicContact CG2-CB 4.32Å; I428-I474 HydrophobicContact CG2-CD1 4.34Å; I428-I474 HydrophobicContact CG2-CG1 4.09Å; I428-L527 HydrophobicContact CD1-CD2 4.35Å; I428-L527 HydrophobicContact CG2-CD2 3.65Å
429L98.5Very high94.7Very high0 Ų034.1 Ų34.10%017%0.173CC..EExtended strand (participates in β ladder)trans-115.8120.5178.1-60.6-173.9000109.8A397 Y401 L412 L415 L427 F433 V460 L471 I472 I473 I474A397-L429 HydrophobicContact CB-CD2 3.94Å; A397-L429 WeakPolarHBondContact O-CA 3.36Å; Y401-L429 HydrophobicContact CE1-CD2 4.24Å; Y401-L429 WeakPolarHBondContact OH-CB 3.16Å; L412-L429 HydrophobicContact CD1-CD1 4.49Å; L415-L429 HydrophobicContact CD2-CD2 3.71Å; L427-L429 HydrophobicContact CD1-CD2 3.89Å; L427-L429 HydrophobicContact CD2-CD1 4.33Å; L427-L429 HydrophobicContact CD2-CD2 4.18Å; L427-L429 HydrophobicContact CD2-CG 4.25Å; L427-L429 HydrophobicContact CG-CD2 3.95Å; L427-L429 HydrophobicContact CG-CG 4.06Å; L429-F433 HydrophobicContact CB-CE2 4.29Å; L429-F433 HydrophobicContact CB-CZ 3.63Å; L429-F433 HydrophobicContact CD1-CE1 3.96Å; L429-F433 HydrophobicContact CD1-CZ 3.79Å; L429-F433 HydrophobicContact CG-CZ 4.38Å; L429-V460 HydrophobicContact CD1-CG1 3.67Å; L429-V460 HydrophobicContact CD1-CG2 4.35Å; L429-L471 HydrophobicContact CD1-CD1 4.06Å; L429-L471 HydrophobicContact CG-CD1 4.14Å; L429-I472 PolarHBondContact N-O 3.2Å; L429-I473 WeakPolarHBondContact O-CA 3.47Å; L429-I474 PolarHBondContact O-N 3.27Å
430L98.3Very high94.5Very high0 Ų034.9 Ų34.90%018%0.181CC..EExtended strand (participates in β ladder)trans-96.7143.6170.1-60.191.1000109.7V396 A397 C398 G399 Y401 I428 I474 L527 T528 I595 P597V396-L430 HydrophobicContact CG1-CD1 3.95Å; A397-L430 WeakPolarHBondContact O-CD1 3.4Å; A397-L430 PolarHBondContact O-N 3.41Å; C398-L430 HydrophobicContact CB-CB 4.17Å; G399-L430 PolarHBondContact N-O 3.46Å; Y401-L430 VanDerWaalsContact CE2-O 3.3Å; Y401-L430 WeakPolarHBondContact CE2-O 3.37Å; Y401-L430 PolarHBondContact OH-N 2.7Å; Y401-L430 PolarHBondContact OH-O 3.32Å; I428-L430 HydrophobicContact CG2-CD1 4.32Å; L430-I474 HydrophobicContact CB-CB 4.4Å; L430-I474 HydrophobicContact CD2-CB 4.43Å; L430-I474 HydrophobicContact CD2-CG1 4.42Å; L430-I474 HydrophobicContact CG-CB 3.98Å; L430-I474 HydrophobicContact CG-CG1 3.87Å; L430-L527 HydrophobicContact CD1-CD2 4.24Å; L430-L527 HydrophobicContact CD2-CB 4.33Å; L430-T528 WeakPolarHBondContact CD2-O 3.48Å; L430-I595 HydrophobicContact CD1-CG2 4.46Å; L430-P597 HydrophobicContact CD2-CG 4.17Å
431G96.5Very high94.4Very high0 Ų031.3 Ų31.30%017%0.166CC..SBendtrans-61.2169.1172.300000114.1C398 I474 E479C398-G431 PolarHBondContact SG-O 3.01Å; C398-G431 VanDerWaalsContact SG-O 3.34Å; G431-I474 PolarHBondContact N-O 3.02Å; G431-I474 VanDerWaalsContact N-O 3.15Å; G431-E479 WeakPolarHBondContact CA-OE2 3.47Å
432P96.7Very high94.3Very high3 Ų332.7 Ų32.72%0.01917%0.173CC..PPolyproline II helixcis-89.7129.65.731.1-34.7000116.4P400 Y401 D435 R478 E479P400-P432 WeakPolarHBondContact CA-O 3.23Å; P400-P432 HydrophobicContact CG-CG 4.18Å; Y401-P432 VanDerWaalsContact CD2-O 3.3Å; Y401-P432 WeakPolarHBondContact CD2-O 3.46Å; P432-D435 HydrophobicContact CB-CB 3.81Å; P432-D435 HydrophobicContact CG-CB 3.65Å; P432-R478 HydrophobicContact CB-CB 4.04Å; P432-R478 HydrophobicContact CG-CB 4.09Å; P432-E479 VanDerWaalsContact CA-OE1 3.23Å; P432-E479 WeakPolarHBondContact CA-OE1 3.33Å; P432-E479 VanDerWaalsContact CA-OE2 3.31Å; P432-E479 WeakPolarHBondContact CA-OE2 3.25Å
433F96.2Very high94.3Very high3 Ų335.5 Ų35.51%0.01319%0.193CC..SBendtrans-75.5-38.5163-71.1-93.8000112Y401 L412 L429 F453 R456 V457 I473 E479Y401-F433 HydrophobicContact CD2-CD1 4.11Å; Y401-F433 HydrophobicContact CD2-CE1 4.48Å; Y401-F433 HydrophobicContact CD2-CG 4.25Å; Y401-F433 HydrophobicContact CE2-CD1 4.11Å; Y401-F433 HydrophobicContact CE2-CD2 4.23Å; Y401-F433 HydrophobicContact CE2-CE1 4.14Å; Y401-F433 HydrophobicContact CE2-CE2 4.24Å; Y401-F433 HydrophobicContact CE2-CG 4.17Å; Y401-F433 HydrophobicContact CE2-CZ 4.22Å; L412-F433 HydrophobicContact CD1-CE1 4.37Å; L429-F433 HydrophobicContact CB-CE2 4.29Å; L429-F433 HydrophobicContact CB-CZ 3.63Å; L429-F433 HydrophobicContact CD1-CE1 3.96Å; L429-F433 HydrophobicContact CD1-CZ 3.79Å; L429-F433 HydrophobicContact CG-CZ 4.38Å; F433-F453 HydrophobicContact CB-CD2 3.73Å; F433-F453 HydrophobicContact CB-CE2 3.84Å; F433-F453 AromaticContact CD2-CE2 3.96Å; F433-F453 HydrophobicContact CD2-CE2 3.96Å; F433-F453 HydrophobicContact CG-CD2 4.35Å; F433-F453 AromaticContact CG-CE2 3.99Å; F433-F453 HydrophobicContact CG-CE2 3.99Å; F433-R456 PolarHBondContact O-NH1 3.1Å; F433-V457 HydrophobicContact CD1-CG2 4.04Å; F433-V457 HydrophobicContact CE1-CG2 4.14Å; F433-V457 HydrophobicContact CG-CG2 4.34Å; F433-I473 HydrophobicContact CE2-CG2 3.87Å; F433-I473 HydrophobicContact CZ-CG2 4.27Å; F433-E479 WeakPolarHBondContact CA-OE1 3.36Å; F433-E479 PolarHBondContact N-OE1 3.1Å
434V95.8Very high94.2Very high0 Ų030.6 Ų30.60%017%0.171CC..SBendtrans-128.891.2172.7-176.30000108I441 L452 F453 E479 L480V434-I441 HydrophobicContact CG1-CD1 4.21Å; V434-L452 HydrophobicContact CG1-CD2 4Å; V434-L452 HydrophobicContact CG2-CB 4.44Å; V434-L452 HydrophobicContact CG2-CD2 4.16Å; V434-L452 HydrophobicContact CG2-CG 3.99Å; V434-F453 HydrophobicContact CG2-CB 3.8Å; V434-F453 HydrophobicContact CG2-CD2 4.5Å; V434-E479 PolarHBondContact N-OE1 2.55Å; V434-L480 HydrophobicContact CG1-CB 4.19Å; V434-L480 WeakPolarHBondContact O-CB 3.43Å; V434-L480 PolarHBondContact O-N 3.23Å
435D95.5Very high93.8Very high13 Ų1335.7 Ų35.77%0.0721%0.206CC..BIsolated β-bridgetrans-76.1123.5-168.5-177.315.8000113.4P400 P432 E437 H438 R478P400-D435 HydrophobicContact CB-CB 4.41Å; P400-D435 HydrophobicContact CG-CB 4.47Å; P400-D435 VanDerWaalsContact CG-OD2 3.26Å; P400-D435 WeakPolarHBondContact CG-OD2 3.39Å; P432-D435 HydrophobicContact CB-CB 3.81Å; P432-D435 HydrophobicContact CG-CB 3.65Å; D435-E437 VanDerWaalsContact C-N 3.29Å; D435-E437 PolarHBondContact O-N 3.11Å; D435-E437 PolarHBondContact OD1-N 3Å; D435-H438 HydrophobicContact CB-CB 4.11Å; D435-H438 WeakPolarHBondContact O-CB 3.24Å; D435-H438 PolarHBondContact O-N 3.06Å; D435-R478 IonicContact OD1-CZ 3.8Å; D435-R478 IonicContact OD1-NE 3.79Å; D435-R478 PolarHBondContact OD1-NE 3.35Å; D435-R478 VanDerWaalsContact OD1-NE 3.11Å; D435-R478 IonicContact OD1-NH2 2.7Å; D435-R478 PolarHBondContact OD1-NH2 3.1Å; D435-R478 IonicContact OD2-CZ 3.76Å; D435-R478 IonicContact OD2-NH2 3.75Å; D435-R478 PolarHBondContact OD2-NH2 2.93Å
436S94.4Very high93.6Very high47 Ų4741.6 Ų41.633%0.32923%0.234SC..THydrogen-bonded Turntrans-67-23.417361.60000114H438 R478S436-H438 VanDerWaalsContact C-N 3.35Å; S436-R478 PolarHBondContact N-O 3.21Å; S436-R478 PolarHBondContact OG-O 3.21Å
437E93Very high93.4Very high101 Ų10144.4 Ų44.447%0.47225%0.252SS..THydrogen-bonded Turntrans-82.7-6.4174-62.8-167.7158.200113.2D435 R478 K599D435-E437 VanDerWaalsContact C-N 3.29Å; D435-E437 PolarHBondContact O-N 3.11Å; D435-E437 PolarHBondContact OD1-N 3Å; E437-R478 IonicContact OE2-CZ 2.83Å; E437-R478 IonicContact OE2-NE 3.5Å; E437-R478 IonicContact OE2-NH1 3.39Å; E437-R478 IonicContact OE2-NH2 2.61Å; E437-R478 PolarHBondContact OE2-NH2 3.36Å; E437-K599 IonicContact OE2-NZ 3.67Å; E437-K599 PolarHBondContact OE2-NZ 3.32Å
438H93.8Very high93.2Very high13 Ų1348.1 Ų48.16%0.0627%0.274CS..  trans-67.4122.7-174.2176.5-80.2000111.3T402 L403 S406 H407 D435 S436 G440 I441T402-H438 PolarHBondContact OG1-CD2 3Å; L403-H438 PolarHBondContact O-NE2 3Å; L403-H438 VanDerWaalsContact O-NE2 3.13Å; S406-H438 PolarHBondContact O-NE2 2.98Å; H407-H438 AromaticContact CE1-CE1 3.41Å; H407-H438 PolarHBondContact CE1-CE1 2.92Å; H407-H438 VanDerWaalsContact CE1-CE1 3.41Å; H407-H438 AromaticContact CE1-ND1 3.64Å; H407-H438 AromaticContact ND1-CE1 3.58Å; H407-H438 AromaticContact ND1-ND1 3.94Å; D435-H438 HydrophobicContact CB-CB 4.11Å; D435-H438 WeakPolarHBondContact O-CB 3.24Å; D435-H438 PolarHBondContact O-N 3.06Å; S436-H438 VanDerWaalsContact C-N 3.35Å; H438-G440 VanDerWaalsContact C-N 3.29Å; H438-G440 PolarHBondContact ND1-N 3.46Å; H438-G440 PolarHBondContact O-N 3.27Å; H438-G440 VanDerWaalsContact O-N 3.12Å; H438-I441 HydrophobicContact CB-CB 4.16Å; H438-I441 PolarHBondContact ND1-N 2.91Å; H438-I441 VanDerWaalsContact O-CB 3.3Å; H438-I441 WeakPolarHBondContact O-CB 3.13Å; H438-I441 WeakPolarHBondContact O-CG2 3.36Å; H438-I441 PolarHBondContact O-N 2.68Å
439P92.4Very high93Very high98 Ų9851.7 Ų51.764%0.63629%0.288SS*.THydrogen-bonded Turntrans-64.6-29.3-164.325.6-36.1000114.1S404S404-P439 VanDerWaalsContact O-CG 3.22Å; S404-P439 WeakPolarHBondContact O-CG 3.43Å
440G90.1Very high92.9Very high17 Ų1756.4 Ų56.418%0.17531%0.31CS..THydrogen-bonded Turntrans-85.3-2.917500000115.3H407 H438 Q442 S443 Y444H407-G440 VanDerWaalsContact CE1-C 3.41Å; H407-G440 PolarHBondContact CE1-O 2.73Å; H407-G440 PolarHBondContact NE2-O 3Å; H438-G440 VanDerWaalsContact C-N 3.29Å; H438-G440 PolarHBondContact ND1-N 3.46Å; H438-G440 PolarHBondContact O-N 3.27Å; H438-G440 VanDerWaalsContact O-N 3.12Å; G440-Q442 VanDerWaalsContact C-N 3.28Å; G440-Q442 PolarHBondContact O-N 2.89Å; G440-S443 PolarHBondContact O-N 3.18Å; G440-S443 PolarHBondContact O-OG 2.67Å; G440-Y444 PolarHBondContact O-N 3.2Å
441I90.5Very high92.7Very high10 Ų1061 Ų615%0.05133%0.332CS..G310 helixtrans-65.5-30.7-165.2-15858000113.4V434 H438 S443 Y444 Y449 L480V434-I441 HydrophobicContact CG1-CD1 4.21Å; H438-I441 HydrophobicContact CB-CB 4.16Å; H438-I441 PolarHBondContact ND1-N 2.91Å; H438-I441 VanDerWaalsContact O-CB 3.3Å; H438-I441 WeakPolarHBondContact O-CB 3.13Å; H438-I441 WeakPolarHBondContact O-CG2 3.36Å; H438-I441 PolarHBondContact O-N 2.68Å; I441-S443 PolarHBondContact O-N 3.36Å; I441-Y444 WeakPolarHBondContact O-CB 3.48Å; I441-Y444 PolarHBondContact O-N 3.32Å; I441-Y444 VanDerWaalsContact O-N 3.15Å; I441-Y449 HydrophobicContact CD1-CD1 4.38Å; I441-Y449 HydrophobicContact CD1-CE1 4.09Å; I441-Y449 HydrophobicContact CG1-CE1 3.97Å; I441-Y449 PolarHBondContact O-OH 3.4Å; I441-L480 HydrophobicContact CB-CD2 4.4Å; I441-L480 HydrophobicContact CD1-CD2 4.33Å; I441-L480 HydrophobicContact CG1-CD2 3.35Å; I441-L480 HydrophobicContact CG2-CD2 4.12Å
442Q87.7Confident92.5Very high183 Ų18361.8 Ų61.886%0.85534%0.335SS*.G310 helixtrans-67.8-22.1176.1-61.4-177.51.600113.7G440G440-Q442 VanDerWaalsContact C-N 3.28Å; G440-Q442 PolarHBondContact O-N 2.89Å
443S88.7Confident92.5Very high86 Ų8661.7 Ų61.760%0.60134%0.335SS*.G310 helixtrans-90.4-9.5174.140.10000113.8G440 I441 S445G440-S443 PolarHBondContact O-N 3.18Å; G440-S443 PolarHBondContact O-OG 2.67Å; I441-S443 PolarHBondContact O-N 3.36Å; S443-S445 PolarHBondContact O-N 3.01Å; S443-S445 PolarHBondContact O-OG 3.16Å
444Y88.7Confident92.4Very high26 Ų2663.1 Ų63.110%0.10234%0.342CS..  trans-68126.5177-172.8-97.2000110.4H407 G440 I441 E446 T447 Y449 L452H407-Y444 HydrophobicContact CB-CD2 4.31Å; H407-Y444 AromaticContact CG-CD2 3.94Å; G440-Y444 PolarHBondContact O-N 3.2Å; I441-Y444 WeakPolarHBondContact O-CB 3.48Å; I441-Y444 PolarHBondContact O-N 3.32Å; I441-Y444 VanDerWaalsContact O-N 3.15Å; Y444-E446 HydrophobicContact CE2-CB 4.2Å; Y444-E446 HydrophobicContact CE2-CG 4.05Å; Y444-E446 WeakPolarHBondContact CE2-OE2 3.48Å; Y444-E446 PolarHBondContact OH-OE2 3.38Å; Y444-T447 WeakPolarHBondContact CE1-O 3.43Å; Y444-T447 WeakPolarHBondContact CE1-OG1 3.32Å; Y444-T447 PolarHBondContact OH-OG1 3.29Å; Y444-Y449 HydrophobicContact CD1-CD1 4.41Å; Y444-Y449 HydrophobicContact CD1-CE1 4.28Å; Y444-L452 HydrophobicContact CD1-CD2 4.05Å; Y444-L452 HydrophobicContact CE1-CB 4.29Å; Y444-L452 HydrophobicContact CE1-CD1 4.46Å; Y444-L452 HydrophobicContact CE1-CD2 3.76Å; Y444-L452 HydrophobicContact CE1-CG 4.39Å; Y444-L452 HydrophobicContact CE2-CD2 4.48Å
445S87.4Confident92.3Very high109 Ų10965.6 Ų65.676%0.76236%0.359SS*.  trans-147.510.1-170.248.40000114.7S443S443-S445 PolarHBondContact O-N 3.01Å; S443-S445 PolarHBondContact O-OG 3.16Å
446E89Confident92.3Very high163 Ų16365.7 Ų65.776%0.76236%0.358SS*.SBendtrans-80.1-35.9-177.6-51.5178.1144.300112.9Y444Y444-E446 HydrophobicContact CE2-CB 4.2Å; Y444-E446 HydrophobicContact CE2-CG 4.05Å; Y444-E446 WeakPolarHBondContact CE2-OE2 3.48Å; Y444-E446 PolarHBondContact OH-OE2 3.38Å
447T92.4Very high92.3Very high60 Ų6063.4 Ų63.437%0.36834%0.343SS..SBendtrans-142.7168.5178.561.20000109.8Y444Y444-T447 WeakPolarHBondContact CE1-O 3.43Å; Y444-T447 WeakPolarHBondContact CE1-OG1 3.32Å; Y444-T447 PolarHBondContact OH-OG1 3.29Å
448T94Very high92.4Very high77 Ų7759.3 Ų59.347%0.47232%0.324SS..  trans-68.2155.3168.862.30000111E450 E451 L452T448-E450 PolarHBondContact O-N 3.45Å; T448-E451 WeakPolarHBondContact CB-OE2 3.31Å; T448-E451 WeakPolarHBondContact CG2-OE2 3.36Å; T448-E451 PolarHBondContact N-OE2 2.98Å; T448-E451 PolarHBondContact O-N 3.12Å; T448-E451 WeakPolarHBondContact OG1-CB 3.34Å; T448-E451 VanDerWaalsContact OG1-CD 3.22Å; T448-E451 WeakPolarHBondContact OG1-CG 3.2Å; T448-E451 PolarHBondContact OG1-N 3.31Å; T448-E451 PolarHBondContact OG1-OE2 3Å; T448-L452 PolarHBondContact O-N 3.39Å
449Y94.4Very high92.3Very high77 Ų7759.1 Ų59.130%0.30232%0.324SS..Hα-helixtrans-61.6-28.6177.4-56.5-52.3000113I441 Y444 F453 L480I441-Y449 HydrophobicContact CD1-CD1 4.38Å; I441-Y449 HydrophobicContact CD1-CE1 4.09Å; I441-Y449 HydrophobicContact CG1-CE1 3.97Å; I441-Y449 PolarHBondContact O-OH 3.4Å; Y444-Y449 HydrophobicContact CD1-CD1 4.41Å; Y444-Y449 HydrophobicContact CD1-CE1 4.28Å; Y449-F453 WeakPolarHBondContact O-CB 3.3Å; Y449-F453 PolarHBondContact O-N 2.93Å; Y449-L480 HydrophobicContact CD1-CD2 3.74Å; Y449-L480 HydrophobicContact CD1-CG 4.45Å; Y449-L480 HydrophobicContact CD2-CD2 3.78Å; Y449-L480 HydrophobicContact CD2-CG 3.83Å; Y449-L480 HydrophobicContact CE1-CD2 3.66Å; Y449-L480 HydrophobicContact CE2-CD2 3.71Å; Y449-L480 HydrophobicContact CE2-CG 4.09Å; Y449-L480 HydrophobicContact CG-CD2 3.8Å; Y449-L480 HydrophobicContact CG-CG 4.02Å
450E94.4Very high92.5Very high99 Ų9954.4 Ų54.446%0.46329%0.293SS..Hα-helixtrans-68.8-48.5173.7-161.5-166.3152.400111.1T448 L452 F453 Q454 H481T448-E450 PolarHBondContact O-N 3.45Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.37Å; E450-F453 PolarHBondContact O-N 3.43Å; E450-Q454 WeakPolarHBondContact O-CB 3.37Å; E450-Q454 VanDerWaalsContact O-CG 3.26Å; E450-Q454 WeakPolarHBondContact O-CG 3.28Å; E450-Q454 PolarHBondContact O-N 3.49Å; E450-Q454 PolarHBondContact OE1-NE2 3.11Å; E450-H481 HydrophobicContact CB-CB 4.36Å
451E94.2Very high92.7Very high97 Ų9753.6 Ų53.645%0.45329%0.285SS..Hα-helixtrans-61.2-39.4174.8-72.8163.213900112.1T448 Q454 S455T448-E451 WeakPolarHBondContact CB-OE2 3.31Å; T448-E451 WeakPolarHBondContact CG2-OE2 3.36Å; T448-E451 PolarHBondContact N-OE2 2.98Å; T448-E451 PolarHBondContact O-N 3.12Å; T448-E451 WeakPolarHBondContact OG1-CB 3.34Å; T448-E451 VanDerWaalsContact OG1-CD 3.22Å; T448-E451 WeakPolarHBondContact OG1-CG 3.2Å; T448-E451 PolarHBondContact OG1-N 3.31Å; T448-E451 PolarHBondContact OG1-OE2 3Å; E451-Q454 PolarHBondContact O-N 3.44Å; E451-S455 VanDerWaalsContact O-CB 3.25Å; E451-S455 WeakPolarHBondContact O-CB 3.44Å; E451-S455 PolarHBondContact O-N 3.43Å
452L94.2Very high92.9Very high15 Ų1554.6 Ų54.68%0.07929%0.289CS..Hα-helixtrans-62.6-43175.4-179.561.1000111.8V434 Y444 T448 E450 R456V434-L452 HydrophobicContact CG1-CD2 4Å; V434-L452 HydrophobicContact CG2-CB 4.44Å; V434-L452 HydrophobicContact CG2-CD2 4.16Å; V434-L452 HydrophobicContact CG2-CG 3.99Å; Y444-L452 HydrophobicContact CD1-CD2 4.05Å; Y444-L452 HydrophobicContact CE1-CB 4.29Å; Y444-L452 HydrophobicContact CE1-CD1 4.46Å; Y444-L452 HydrophobicContact CE1-CD2 3.76Å; Y444-L452 HydrophobicContact CE1-CG 4.39Å; Y444-L452 HydrophobicContact CE2-CD2 4.48Å; T448-L452 PolarHBondContact O-N 3.39Å; E450-L452 VanDerWaalsContact C-N 3.33Å; E450-L452 PolarHBondContact O-N 3.37Å; L452-R456 WeakPolarHBondContact O-CG 3.48Å; L452-R456 PolarHBondContact O-N 3.1Å
453F95.4Very high93.1Very high1 Ų148.8 Ų48.80%0.00426%0.26CS..Hα-helixtrans-64.2-51.5174.9171.1-95.4000111.4F433 V434 Y449 E450 S455 R456 V457 E479 H481 I491 W495F433-F453 HydrophobicContact CB-CD2 3.73Å; F433-F453 HydrophobicContact CB-CE2 3.84Å; F433-F453 AromaticContact CD2-CE2 3.96Å; F433-F453 HydrophobicContact CD2-CE2 3.96Å; F433-F453 HydrophobicContact CG-CD2 4.35Å; F433-F453 AromaticContact CG-CE2 3.99Å; F433-F453 HydrophobicContact CG-CE2 3.99Å; V434-F453 HydrophobicContact CG2-CB 3.8Å; V434-F453 HydrophobicContact CG2-CD2 4.5Å; Y449-F453 WeakPolarHBondContact O-CB 3.3Å; Y449-F453 PolarHBondContact O-N 2.93Å; E450-F453 PolarHBondContact O-N 3.43Å; F453-S455 VanDerWaalsContact C-N 3.3Å; F453-S455 PolarHBondContact O-N 3.13Å; F453-R456 PolarHBondContact O-N 3.03Å; F453-V457 HydrophobicContact CD1-CG2 4.44Å; F453-V457 HydrophobicContact CD2-CG2 4.12Å; F453-V457 HydrophobicContact CE1-CG2 3.93Å; F453-V457 HydrophobicContact CE2-CG2 3.58Å; F453-V457 HydrophobicContact CZ-CB 4.45Å; F453-V457 HydrophobicContact CZ-CG2 3.46Å; F453-V457 VanDerWaalsContact CZ-CG2 3.46Å; F453-V457 PolarHBondContact O-N 3.33Å; F453-E479 HydrophobicContact CE2-CG 4.4Å; F453-H481 AromaticContact CD1-CE1 3.38Å; F453-H481 WeakPolarHBondContact CD1-CE1 3.31Å; F453-H481 AromaticContact CD1-NE2 3.38Å; F453-H481 WeakPolarHBondContact CD1-NE2 3.4Å; F453-H481 AromaticContact CD2-CE1 3.24Å; F453-H481 WeakPolarHBondContact CD2-CE1 3.44Å; F453-H481 AromaticContact CD2-ND1 3.69Å; F453-H481 AromaticContact CE1-CE1 3.72Å; F453-H481 AromaticContact CE1-NE2 3.66Å; F453-H481 AromaticContact CE2-CE1 3.59Å; F453-H481 AromaticContact CG-CE1 3.13Å; F453-H481 WeakPolarHBondContact CG-CE1 3.29Å; F453-H481 AromaticContact CG-ND1 3.48Å; F453-H481 WeakPolarHBondContact CG-ND1 3.47Å; F453-H481 AromaticContact CG-NE2 3.64Å; F453-H481 AromaticContact CZ-CE1 3.81Å; F453-I491 HydrophobicContact CE1-CD1 4.15Å; F453-I491 HydrophobicContact CE1-CG2 3.91Å; F453-I491 HydrophobicContact CE2-CD1 3.95Å; F453-I491 HydrophobicContact CZ-CD1 3.37Å; F453-I491 HydrophobicContact CZ-CG2 4.22Å; F453-W495 AromaticContact CE1-CH2 3.97Å; F453-W495 HydrophobicContact CE1-CH2 3.97Å; F453-W495 HydrophobicContact CE1-CZ3 4.35Å
454Q95.1Very high93.3Very high34 Ų3444.8 Ų44.816%0.15923%0.231CC..Hα-helixtrans-56.3-45.1178.9-71.7174.314.700110.8E450 E451 R456 V457 N458 W495E450-Q454 WeakPolarHBondContact O-CB 3.37Å; E450-Q454 VanDerWaalsContact O-CG 3.26Å; E450-Q454 WeakPolarHBondContact O-CG 3.28Å; E450-Q454 PolarHBondContact O-N 3.49Å; E450-Q454 PolarHBondContact OE1-NE2 3.11Å; E451-Q454 PolarHBondContact O-N 3.44Å; Q454-R456 PolarHBondContact O-N 3.44Å; Q454-V457 PolarHBondContact O-N 2.89Å; Q454-N458 VanDerWaalsContact O-CB 3.25Å; Q454-N458 WeakPolarHBondContact O-CB 3.42Å; Q454-N458 PolarHBondContact O-N 3.23Å; Q454-N458 PolarHBondContact O-ND2 2.71Å; Q454-N458 PolarHBondContact O-OD1 3.18Å; Q454-W495 HydrophobicContact CG-CB 4.3Å; Q454-W495 HydrophobicContact CG-CD2 3.75Å; Q454-W495 HydrophobicContact CG-CE3 4.2Å; Q454-W495 HydrophobicContact CG-CG 3.77Å
455S93.6Very high93.6Very high52 Ų5245.5 Ų45.536%0.36424%0.24SC..Hα-helixtrans-54.6-52.4175.9-174.30000112E451 F453 V457 N458 S459E451-S455 VanDerWaalsContact O-CB 3.25Å; E451-S455 WeakPolarHBondContact O-CB 3.44Å; E451-S455 PolarHBondContact O-N 3.43Å; F453-S455 VanDerWaalsContact C-N 3.3Å; F453-S455 PolarHBondContact O-N 3.13Å; S455-V457 PolarHBondContact O-N 2.88Å; S455-N458 PolarHBondContact O-N 3.46Å; S455-S459 PolarHBondContact O-N 3.01Å; S455-S459 PolarHBondContact O-OG 3.31Å
456R94.7Very high93.8Very high14 Ų1445.7 Ų45.75%0.05323%0.229CC..Hα-helixtrans-60.9-42.9179.5-70.6170.8-178.8-176.20.8112.3H407 P409 L412 F433 L452 F453 Q454 V460H407-R456 PolarHBondContact O-NH2 3.49Å; P409-R456 HydrophobicContact CB-CG 4.33Å; L412-R456 HydrophobicContact CD2-CB 4.11Å; F433-R456 PolarHBondContact O-NH1 3.1Å; L452-R456 WeakPolarHBondContact O-CG 3.48Å; L452-R456 PolarHBondContact O-N 3.1Å; F453-R456 PolarHBondContact O-N 3.03Å; Q454-R456 PolarHBondContact O-N 3.44Å; R456-V460 WeakPolarHBondContact O-CG2 3.49Å; R456-V460 PolarHBondContact O-N 2.95Å
457V95.3Very high93.9Very high0 Ų040.3 Ų40.30%021%0.205CC..Hα-helixtrans-75.5-35.8-178.8179.10000112.4F433 F453 Q454 S455 S459 V460 S461 I473 Y506 F511F433-V457 HydrophobicContact CD1-CG2 4.04Å; F433-V457 HydrophobicContact CE1-CG2 4.14Å; F433-V457 HydrophobicContact CG-CG2 4.34Å; F453-V457 HydrophobicContact CD1-CG2 4.44Å; F453-V457 HydrophobicContact CD2-CG2 4.12Å; F453-V457 HydrophobicContact CE1-CG2 3.93Å; F453-V457 HydrophobicContact CE2-CG2 3.58Å; F453-V457 HydrophobicContact CZ-CB 4.45Å; F453-V457 HydrophobicContact CZ-CG2 3.46Å; F453-V457 VanDerWaalsContact CZ-CG2 3.46Å; F453-V457 PolarHBondContact O-N 3.33Å; Q454-V457 PolarHBondContact O-N 2.89Å; S455-V457 PolarHBondContact O-N 2.88Å; V457-S459 VanDerWaalsContact C-N 3.34Å; V457-S459 PolarHBondContact O-N 3.46Å; V457-V460 PolarHBondContact O-N 2.79Å; V457-S461 PolarHBondContact O-N 3.24Å; V457-I473 HydrophobicContact CG1-CD1 3.34Å; V457-I473 HydrophobicContact CG2-CD1 4.48Å; V457-Y506 HydrophobicContact CG1-CE1 4.2Å; V457-Y506 WeakPolarHBondContact CG1-OH 3.36Å; V457-F511 HydrophobicContact CG1-CE1 4.33Å; V457-F511 HydrophobicContact CG1-CZ 4.06Å
458N94.9Very high93.9Very high15 Ų1541.1 Ų41.18%0.0821%0.213CC..Hα-helixtrans-56.4-50.2173.6-69.8-19.7000109.6L93 Q454 S455 V460 S461 E462 W495 L502 Y506L93-N458 HydrophobicContact CD2-CB 3.82Å; Q454-N458 VanDerWaalsContact O-CB 3.25Å; Q454-N458 WeakPolarHBondContact O-CB 3.42Å; Q454-N458 PolarHBondContact O-N 3.23Å; Q454-N458 PolarHBondContact O-ND2 2.71Å; Q454-N458 PolarHBondContact O-OD1 3.18Å; S455-N458 PolarHBondContact O-N 3.46Å; N458-V460 VanDerWaalsContact C-N 3.32Å; N458-V460 PolarHBondContact O-N 3.31Å; N458-S461 PolarHBondContact O-N 3.36Å; N458-S461 VanDerWaalsContact O-N 3.09Å; N458-S461 PolarHBondContact O-OG 3.05Å; N458-E462 WeakPolarHBondContact O-CG 3.16Å; N458-E462 PolarHBondContact O-N 2.55Å; N458-W495 PolarHBondContact OD1-NE1 3.24Å; N458-W495 VanDerWaalsContact OD1-NE1 3.11Å; N458-L502 HydrophobicContact CB-CD2 4.43Å; N458-L502 WeakPolarHBondContact OD1-CD1 3.47Å; N458-Y506 WeakPolarHBondContact CA-OH 3.47Å; N458-Y506 PolarHBondContact N-OH 3.43Å; N458-Y506 PolarHBondContact OD1-OH 3.22Å
459S92.2Very high93.9Very high8 Ų837.7 Ų37.76%0.05619%0.192CC..Hα-helixtrans-55.7-41.1176.5-62.10000113.6M97 S455 V457 W463M97-S459 PolarHBondContact SD-OG 3.24Å; S455-S459 PolarHBondContact O-N 3.01Å; S455-S459 PolarHBondContact O-OG 3.31Å; V457-S459 VanDerWaalsContact C-N 3.34Å; V457-S459 PolarHBondContact O-N 3.46Å; S459-W463 WeakPolarHBondContact O-CB 3.3Å; S459-W463 PolarHBondContact O-N 3.26Å
460V95.7Very high93.9Very high0 Ų036.4 Ų36.40%019%0.187CC..Hα-helixtrans-67.6-43.2176177.20000111.1L412 L416 L429 R456 V457 N458 W463 C464 L471L412-V460 HydrophobicContact CD1-CG2 3.71Å; L412-V460 HydrophobicContact CD2-CG2 3.7Å; L412-V460 HydrophobicContact CG-CG2 3.85Å; L416-V460 HydrophobicContact CD1-CG2 4.25Å; L416-V460 HydrophobicContact CD2-CG1 4.28Å; L416-V460 HydrophobicContact CD2-CG2 4.42Å; L429-V460 HydrophobicContact CD1-CG1 3.67Å; L429-V460 HydrophobicContact CD1-CG2 4.35Å; R456-V460 WeakPolarHBondContact O-CG2 3.49Å; R456-V460 PolarHBondContact O-N 2.95Å; V457-V460 PolarHBondContact O-N 2.79Å; N458-V460 VanDerWaalsContact C-N 3.32Å; N458-V460 PolarHBondContact O-N 3.31Å; V460-W463 PolarHBondContact O-N 3.32Å; V460-C464 WeakPolarHBondContact O-CB 3.42Å; V460-C464 PolarHBondContact O-N 2.95Å; V460-C464 PolarHBondContact O-SG 3.21Å; V460-L471 HydrophobicContact CB-CD2 4.49Å; V460-L471 HydrophobicContact CG1-CD1 3.91Å; V460-L471 HydrophobicContact CG1-CD2 3.65Å; V460-L471 HydrophobicContact CG1-CG 4.46Å
461S95.1Very high94Very high0 Ų031.7 Ų31.70%017%0.165CC..Hα-helixtrans-63.3-44.8-17974.60000112V457 N458 W463 C464 S465 Y506V457-S461 PolarHBondContact O-N 3.24Å; N458-S461 PolarHBondContact O-N 3.36Å; N458-S461 VanDerWaalsContact O-N 3.09Å; N458-S461 PolarHBondContact O-OG 3.05Å; S461-W463 PolarHBondContact O-N 3.1Å; S461-C464 PolarHBondContact O-N 3.39Å; S461-S465 VanDerWaalsContact O-CB 3.27Å; S461-S465 WeakPolarHBondContact O-CB 3.3Å; S461-S465 PolarHBondContact O-N 3.44Å; S461-Y506 VanDerWaalsContact OG-CE2 3.3Å; S461-Y506 WeakPolarHBondContact OG-CE2 3.5Å
462E93.3Very high94.2Very high30 Ų3027 Ų2714%0.1414%0.143CC..Hα-helixtrans-61-45176.1-71.4177.2-175.500110.9N458 S465 H466 S505N458-E462 WeakPolarHBondContact O-CG 3.16Å; N458-E462 PolarHBondContact O-N 2.55Å; E462-S465 PolarHBondContact O-N 2.82Å; E462-H466 WeakPolarHBondContact O-CB 3.43Å; E462-H466 PolarHBondContact O-CD2 3.35Å; E462-H466 VanDerWaalsContact O-CD2 3.22Å; E462-H466 PolarHBondContact O-N 3.04Å; E462-S505 WeakPolarHBondContact CG-OG 3.49Å
463W91.9Very high94.4Very high62 Ų6226.3 Ų26.324%0.23514%0.139CC..Hα-helixtrans-62.7-45.9177.5-161.8-92.5000112.6L416 K420 S459 V460 S461 H466 L467L416-W463 HydrophobicContact CB-CD2 4.37Å; L416-W463 HydrophobicContact CB-CG 4.3Å; L416-W463 HydrophobicContact CD1-CB 4.28Å; L416-W463 HydrophobicContact CD1-CG 4.22Å; L416-W463 HydrophobicContact CD2-CB 4.26Å; L416-W463 HydrophobicContact CD2-CG 4.09Å; L416-W463 HydrophobicContact CG-CG 4.43Å; L416-W463 PolarHBondContact O-NE1 3.23Å; K420-W463 HydrophobicContact CB-CZ2 4.02Å; K420-W463 HydrophobicContact CD-CH2 4.39Å; K420-W463 HydrophobicContact CD-CZ2 3.85Å; K420-W463 HydrophobicContact CG-CZ2 4.41Å; S459-W463 WeakPolarHBondContact O-CB 3.3Å; S459-W463 PolarHBondContact O-N 3.26Å; V460-W463 PolarHBondContact O-N 3.32Å; S461-W463 PolarHBondContact O-N 3.1Å; W463-H466 PolarHBondContact O-N 3.21Å; W463-L467 WeakPolarHBondContact O-CG 3.31Å; W463-L467 PolarHBondContact O-N 2.88Å
464C94.2Very high94.4Very high1 Ų126.3 Ų26.31%0.00714%0.139CC..Hα-helixtrans-65.6-41.3177.5-65.80000111.6V460 S461 L467 S468 I469 L471V460-C464 WeakPolarHBondContact O-CB 3.42Å; V460-C464 PolarHBondContact O-N 2.95Å; V460-C464 PolarHBondContact O-SG 3.21Å; S461-C464 PolarHBondContact O-N 3.39Å; C464-L467 CarbonylContact O-C 3.58Å; C464-L467 PolarHBondContact O-N 3.39Å; C464-S468 PolarHBondContact O-N 2.71Å; C464-I469 HydrophobicContact CB-CB 4.23Å; C464-I469 PolarHBondContact O-N 3.26Å; C464-L471 HydrophobicContact CB-CB 4.31Å
465S93.3Very high94.4Very high41 Ų4124.7 Ų24.729%0.28713%0.131SC..Hα-helixtrans-61-45.6176-172.60000111.8S461 E462 L467 S468S461-S465 VanDerWaalsContact O-CB 3.27Å; S461-S465 WeakPolarHBondContact O-CB 3.3Å; S461-S465 PolarHBondContact O-N 3.44Å; E462-S465 PolarHBondContact O-N 2.82Å; S465-L467 PolarHBondContact O-N 3.42Å; S465-S468 PolarHBondContact O-N 3.13Å
466H91.6Very high94.6Very high114 Ų11422.2 Ų22.253%0.52812%0.115SC..Hα-helixtrans-63.5-24.6176.2-74.5-38000114.1E462 W463E462-H466 WeakPolarHBondContact O-CB 3.43Å; E462-H466 PolarHBondContact O-CD2 3.35Å; E462-H466 VanDerWaalsContact O-CD2 3.22Å; E462-H466 PolarHBondContact O-N 3.04Å; W463-H466 PolarHBondContact O-N 3.21Å
467L91.4Very high94.6Very high49 Ų4923.4 Ų23.426%0.25712%0.119SC..THydrogen-bonded Turntrans-97.81175.2-63.3173.5000113V419 K420 W463 C464 S465 I469V419-L467 HydrophobicContact CG1-CD1 4.28Å; K420-L467 HydrophobicContact CB-CD1 4.26Å; W463-L467 WeakPolarHBondContact O-CG 3.31Å; W463-L467 PolarHBondContact O-N 2.88Å; C464-L467 CarbonylContact O-C 3.58Å; C464-L467 PolarHBondContact O-N 3.39Å; S465-L467 PolarHBondContact O-N 3.42Å; L467-I469 HydrophobicContact CB-CD1 3.62Å; L467-I469 HydrophobicContact CB-CG1 3.69Å; L467-I469 HydrophobicContact CD1-CD1 3.86Å; L467-I469 HydrophobicContact CG-CD1 4.41Å; L467-I469 PolarHBondContact O-N 3.08Å
468S92.2Very high94.6Very high78 Ų7824.3 Ų24.355%0.54512%0.122SC..THydrogen-bonded Turntrans6017.2-174.7-90.40000116.8C464 S465 K508C464-S468 PolarHBondContact O-N 2.71Å; S465-S468 PolarHBondContact O-N 3.13Å; S468-K508 PolarHBondContact O-NZ 3.31Å; S468-K508 PolarHBondContact OG-NZ 2.95Å
469I93.9Very high94.6Very high5 Ų523.8 Ų23.83%0.02612%0.119CC..  trans-75.6139.5-178-57.6177.2000110.4V419 P424 L427 C464 L467V419-I469 HydrophobicContact CG1-CD1 3.35Å; P424-I469 HydrophobicContact CG-CD1 4.19Å; P424-I469 HydrophobicContact CG-CG2 4.31Å; P424-I469 WeakPolarHBondContact O-CG1 3.45Å; L427-I469 HydrophobicContact CB-CG2 3.95Å; C464-I469 HydrophobicContact CB-CB 4.23Å; C464-I469 PolarHBondContact O-N 3.26Å; L467-I469 HydrophobicContact CB-CD1 3.62Å; L467-I469 HydrophobicContact CB-CG1 3.69Å; L467-I469 HydrophobicContact CD1-CD1 3.86Å; L467-I469 HydrophobicContact CG-CD1 4.41Å; L467-I469 PolarHBondContact O-N 3.08Å
470R95.8Very high94.7Very high49 Ų4926.1 Ų26.119%0.18513%0.131CC..EExtended strand (participates in β ladder)trans-80.3128.8170.5-64.8-175.5172.6-71.2-2.4109.9D171 W172 T173 H425 V426 L427 K508D171-R470 IonicContact OD1-CZ 3.24Å; D171-R470 VanDerWaalsContact OD1-CZ 3.3Å; D171-R470 IonicContact OD1-NE 3.86Å; D171-R470 PolarHBondContact OD1-NE 2.85Å; D171-R470 IonicContact OD1-NH2 2.69Å; D171-R470 PolarHBondContact OD1-NH2 2.81Å; D171-R470 IonicContact OD2-NH2 2.68Å; W172-R470 WeakPolarHBondContact O-CD 3.46Å; T173-R470 PolarHBondContact OG1-NH1 3.4Å; T173-R470 PolarHBondContact OG1-NH2 3.37Å; H425-R470 PolarHBondContact O-N 2.79Å; V426-R470 CarbonylContact C-O 3.56Å; V426-R470 VanDerWaalsContact CA-O 3.3Å; V426-R470 WeakPolarHBondContact CA-O 3.38Å; V426-R470 HydrophobicContact CG2-CB 4.36Å; L427-R470 PolarHBondContact N-O 3.37Å; R470-K508 HydrophobicContact CG-CB 4.41Å
471L97Very high94.6Very high0 Ų028.3 Ų28.30%014%0.141CC..EExtended strand (participates in β ladder)trans-110.5130.3-176176.463.7000110.2L427 L429 V460 C464 I473 K508 V509 H510L427-L471 HydrophobicContact CB-CD1 4.25Å; L427-L471 HydrophobicContact CD2-CD1 4.05Å; L427-L471 HydrophobicContact CG-CD1 4.11Å; L427-L471 WeakPolarHBondContact O-CA 3.5Å; L429-L471 HydrophobicContact CD1-CD1 4.06Å; L429-L471 HydrophobicContact CG-CD1 4.14Å; V460-L471 HydrophobicContact CB-CD2 4.49Å; V460-L471 HydrophobicContact CG1-CD1 3.91Å; V460-L471 HydrophobicContact CG1-CD2 3.65Å; V460-L471 HydrophobicContact CG1-CG 4.46Å; C464-L471 HydrophobicContact CB-CB 4.31Å; L471-I473 HydrophobicContact CD1-CG1 4.29Å; L471-I473 HydrophobicContact CD2-CD1 3.98Å; L471-I473 HydrophobicContact CD2-CG1 4.26Å; L471-I473 HydrophobicContact CG-CD1 4.29Å; L471-I473 HydrophobicContact CG-CG1 4.03Å; L471-K508 PolarHBondContact N-O 3.01Å; L471-V509 HydrophobicContact CB-CG1 4.41Å; L471-V509 HydrophobicContact CB-CG2 4.12Å; L471-V509 HydrophobicContact CD2-CG1 3.98Å; L471-V509 HydrophobicContact CD2-CG2 4.01Å; L471-V509 HydrophobicContact CG-CG1 4.21Å; L471-V509 WeakPolarHBondContact O-CA 3.5Å; L471-H510 PolarHBondContact O-N 3Å
472I97.4Very high94.5Very high0 Ų030 Ų300%015%0.149CC..EExtended strand (participates in β ladder)trans-118.6122.8173.2-49.4-177.8000108.1P174 V426 L427 I428 L429 I474 H510 F518 I520P174-I472 HydrophobicContact CB-CD1 3.58Å; P174-I472 HydrophobicContact CB-CG1 4.43Å; P174-I472 HydrophobicContact CG-CD1 3.79Å; P174-I472 HydrophobicContact CG-CG1 4.1Å; V426-I472 HydrophobicContact CG1-CD1 3.74Å; V426-I472 HydrophobicContact CG1-CG1 3.95Å; L427-I472 PolarHBondContact O-N 3.06Å; I428-I472 WeakPolarHBondContact CA-O 3.39Å; I428-I472 HydrophobicContact CD1-CD1 4.35Å; I428-I472 HydrophobicContact CG1-CB 4.26Å; I428-I472 HydrophobicContact CG1-CD1 4.18Å; I428-I472 HydrophobicContact CG1-CG1 4.48Å; I428-I472 HydrophobicContact CG2-CB 4.32Å; L429-I472 PolarHBondContact N-O 3.2Å; I472-I474 HydrophobicContact CG2-CD1 3.65Å; I472-H510 CarbonylContact C-O 3.6Å; I472-H510 WeakPolarHBondContact CA-O 3.28Å; I472-F518 HydrophobicContact CG2-CE2 3.98Å; I472-F518 HydrophobicContact CG2-CZ 4.02Å; I472-I520 HydrophobicContact CD1-CD1 4.27Å
473I97.5Very high94.5Very high0 Ų030.7 Ų30.70%015%0.154CC..EExtended strand (participates in β ladder)trans-111.9117178.6-63.9173.3000108.4L429 F433 V457 L471 I491 V509 H510 F511 A512L429-I473 WeakPolarHBondContact O-CA 3.47Å; F433-I473 HydrophobicContact CE2-CG2 3.87Å; F433-I473 HydrophobicContact CZ-CG2 4.27Å; V457-I473 HydrophobicContact CG1-CD1 3.34Å; V457-I473 HydrophobicContact CG2-CD1 4.48Å; L471-I473 HydrophobicContact CD1-CG1 4.29Å; L471-I473 HydrophobicContact CD2-CD1 3.98Å; L471-I473 HydrophobicContact CD2-CG1 4.26Å; L471-I473 HydrophobicContact CG-CD1 4.29Å; L471-I473 HydrophobicContact CG-CG1 4.03Å; I473-I491 HydrophobicContact CG2-CD1 4.41Å; I473-V509 HydrophobicContact CD1-CG1 4.14Å; I473-H510 PolarHBondContact N-O 2.86Å; I473-F511 HydrophobicContact CB-CD1 3.9Å; I473-F511 HydrophobicContact CB-CE1 4.1Å; I473-F511 HydrophobicContact CD1-CD1 4.35Å; I473-F511 HydrophobicContact CD1-CE1 3.71Å; I473-F511 HydrophobicContact CD1-CZ 3.88Å; I473-F511 HydrophobicContact CG2-CD1 3.89Å; I473-F511 HydrophobicContact CG2-CE1 3.98Å; I473-F511 CarbonylContact O-C 3.35Å; I473-F511 WeakPolarHBondContact O-CA 3.45Å; I473-A512 PolarHBondContact O-N 3.21Å
474I97Very high94.5Very high0 Ų031.6 Ų31.60%017%0.167CC..EExtended strand (participates in β ladder)trans-97129.9174.3-40.2-54.8000107.8I428 L429 L430 G431 I472 A512 P513 D514 F518 L527I428-I474 HydrophobicContact CG2-CD1 4.34Å; I428-I474 HydrophobicContact CG2-CG1 4.09Å; L429-I474 PolarHBondContact O-N 3.27Å; L430-I474 HydrophobicContact CB-CB 4.4Å; L430-I474 HydrophobicContact CD2-CB 4.43Å; L430-I474 HydrophobicContact CD2-CG1 4.42Å; L430-I474 HydrophobicContact CG-CB 3.98Å; L430-I474 HydrophobicContact CG-CG1 3.87Å; G431-I474 PolarHBondContact N-O 3.02Å; G431-I474 VanDerWaalsContact N-O 3.15Å; I472-I474 HydrophobicContact CG2-CD1 3.65Å; I474-A512 HydrophobicContact CD1-CB 3.51Å; I474-P513 WeakPolarHBondContact CG2-O 3.18Å; I474-D514 HydrophobicContact CG2-CB 4.13Å; I474-F518 HydrophobicContact CD1-CD2 4.45Å; I474-F518 HydrophobicContact CD1-CE2 3.87Å; I474-L527 HydrophobicContact CG1-CD2 4.49Å
475S94.9Very high94.5Very high0 Ų033.7 Ų33.70%018%0.18CC..  trans-62.5171.3172.852.20000112.2T488 P489 A512 D514S475-T488 WeakPolarHBondContact CB-OG1 3.49Å; S475-T488 PolarHBondContact OG-OG1 3.2Å; S475-P489 PolarHBondContact OG-O 2.94Å; S475-A512 PolarHBondContact N-O 3.34Å; S475-A512 PolarHBondContact OG-O 3.18Å; S475-D514 VanDerWaalsContact O-CB 3.31Å; S475-D514 WeakPolarHBondContact O-CB 3.48Å; S475-D514 PolarHBondContact OG-N 3.37Å
476S96.4Very high94.5Very high1 Ų131.8 Ų31.81%0.00717%0.167CC..  trans-140.3153.6163.7-171.90000109.1R478 E479 S529S476-R478 PolarHBondContact O-N 2.89Å; S476-R478 PolarHBondContact OG-N 3.02Å; S476-E479 VanDerWaalsContact CB-OE2 3.28Å; S476-E479 WeakPolarHBondContact CB-OE2 3.48Å; S476-E479 PolarHBondContact N-OE2 3Å; S476-E479 WeakPolarHBondContact O-CB 3.39Å; S476-E479 PolarHBondContact O-N 3.43Å; S476-S529 WeakPolarHBondContact CA-OG 3.41Å; S476-S529 VanDerWaalsContact CB-OG 3.28Å; S476-S529 WeakPolarHBondContact CB-OG 3.18Å; S476-S529 PolarHBondContact OG-OG 2.91Å
477W95.1Very high94.7Very high38 Ų3826.5 Ų26.514%0.14414%0.142CC..THydrogen-bonded Turntrans-66.2-10.2167.669.6-85.7000112.5T488 G573 L574W477-T488 HydrophobicContact CB-CG2 3.85Å; W477-G573 WeakPolarHBondContact CH2-O 3.4Å; W477-G573 VanDerWaalsContact CZ3-O 3.23Å; W477-G573 WeakPolarHBondContact CZ3-O 3.38Å; W477-L574 HydrophobicContact CD2-CD1 3.89Å; W477-L574 HydrophobicContact CG-CD1 4.02Å; W477-L574 HydrophobicContact CZ2-CD1 4.09Å
478R95.9Very high94.8Very high20 Ų2024.2 Ų24.28%0.07513%0.13CC..THydrogen-bonded Turntrans-920.8174-69.7174.957.4-162.42.5114.4P432 D435 S436 E437 S476 L480P432-R478 HydrophobicContact CB-CB 4.04Å; P432-R478 HydrophobicContact CG-CB 4.09Å; D435-R478 IonicContact OD1-CZ 3.8Å; D435-R478 IonicContact OD1-NE 3.79Å; D435-R478 PolarHBondContact OD1-NE 3.35Å; D435-R478 VanDerWaalsContact OD1-NE 3.11Å; D435-R478 IonicContact OD1-NH2 2.7Å; D435-R478 PolarHBondContact OD1-NH2 3.1Å; D435-R478 IonicContact OD2-CZ 3.76Å; D435-R478 IonicContact OD2-NH2 3.75Å; D435-R478 PolarHBondContact OD2-NH2 2.93Å; S436-R478 PolarHBondContact N-O 3.21Å; S436-R478 PolarHBondContact OG-O 3.21Å; E437-R478 IonicContact OE2-CZ 2.83Å; E437-R478 IonicContact OE2-NE 3.5Å; E437-R478 IonicContact OE2-NH1 3.39Å; E437-R478 IonicContact OE2-NH2 2.61Å; E437-R478 PolarHBondContact OE2-NH2 3.36Å; S476-R478 PolarHBondContact O-N 2.89Å; S476-R478 PolarHBondContact OG-N 3.02Å; R478-L480 PolarHBondContact O-N 3.39Å; R478-L480 VanDerWaalsContact O-N 3.16Å
479E95.7Very high94.8Very high3 Ų321.2 Ų21.21%0.01411%0.109CC..BIsolated β-bridgetrans-67.4108.2168.5-106.238.7-108.100109.9G431 P432 F433 V434 F453 S476 H481 H482G431-E479 WeakPolarHBondContact CA-OE2 3.47Å; P432-E479 VanDerWaalsContact CA-OE1 3.23Å; P432-E479 WeakPolarHBondContact CA-OE1 3.33Å; P432-E479 VanDerWaalsContact CA-OE2 3.31Å; P432-E479 WeakPolarHBondContact CA-OE2 3.25Å; F433-E479 WeakPolarHBondContact CA-OE1 3.36Å; F433-E479 PolarHBondContact N-OE1 3.1Å; V434-E479 PolarHBondContact N-OE1 2.55Å; F453-E479 HydrophobicContact CE2-CG 4.4Å; S476-E479 VanDerWaalsContact CB-OE2 3.28Å; S476-E479 WeakPolarHBondContact CB-OE2 3.48Å; S476-E479 PolarHBondContact N-OE2 3Å; S476-E479 WeakPolarHBondContact O-CB 3.39Å; S476-E479 PolarHBondContact O-N 3.43Å; E479-H481 PolarHBondContact O-N 2.81Å; E479-H482 HydrophobicContact CB-CB 3.59Å; E479-H482 HydrophobicContact CG-CB 4.38Å; E479-H482 PolarHBondContact O-N 3.37Å
480L94.2Very high94.8Very high58 Ų5822.9 Ų22.930%0.30412%0.121SC..THydrogen-bonded Turntrans-62.6-19.8-175.8-174.958000114.3V434 I441 Y449 R478V434-L480 HydrophobicContact CG1-CB 4.19Å; V434-L480 WeakPolarHBondContact O-CB 3.43Å; V434-L480 PolarHBondContact O-N 3.23Å; I441-L480 HydrophobicContact CB-CD2 4.4Å; I441-L480 HydrophobicContact CD1-CD2 4.33Å; I441-L480 HydrophobicContact CG1-CD2 3.35Å; I441-L480 HydrophobicContact CG2-CD2 4.12Å; Y449-L480 HydrophobicContact CD1-CD2 3.74Å; Y449-L480 HydrophobicContact CD1-CG 4.45Å; Y449-L480 HydrophobicContact CD2-CD2 3.78Å; Y449-L480 HydrophobicContact CD2-CG 3.83Å; Y449-L480 HydrophobicContact CE1-CD2 3.66Å; Y449-L480 HydrophobicContact CE2-CD2 3.71Å; Y449-L480 HydrophobicContact CE2-CG 4.09Å; Y449-L480 HydrophobicContact CG-CD2 3.8Å; Y449-L480 HydrophobicContact CG-CG 4.02Å; R478-L480 PolarHBondContact O-N 3.39Å; R478-L480 VanDerWaalsContact O-N 3.16Å
481H92.8Very high94.7Very high46 Ų4621 Ų2121%0.21311%0.114CC..THydrogen-bonded Turntrans-94.2-6.8177.881.1-77.6000113.9E450 F453 E479E450-H481 HydrophobicContact CB-CB 4.36Å; F453-H481 AromaticContact CD1-CE1 3.38Å; F453-H481 WeakPolarHBondContact CD1-CE1 3.31Å; F453-H481 AromaticContact CD1-NE2 3.38Å; F453-H481 WeakPolarHBondContact CD1-NE2 3.4Å; F453-H481 AromaticContact CD2-CE1 3.24Å; F453-H481 WeakPolarHBondContact CD2-CE1 3.44Å; F453-H481 AromaticContact CD2-ND1 3.69Å; F453-H481 AromaticContact CE1-CE1 3.72Å; F453-H481 AromaticContact CE1-NE2 3.66Å; F453-H481 AromaticContact CE2-CE1 3.59Å; F453-H481 AromaticContact CG-CE1 3.13Å; F453-H481 WeakPolarHBondContact CG-CE1 3.29Å; F453-H481 AromaticContact CG-ND1 3.48Å; F453-H481 WeakPolarHBondContact CG-ND1 3.47Å; F453-H481 AromaticContact CG-NE2 3.64Å; F453-H481 AromaticContact CZ-CE1 3.81Å; E479-H481 PolarHBondContact O-N 2.81Å
482H93.4Very high94.4Very high36 Ų3626 Ų2617%0.16714%0.141CC..SBendtrans-120.5-174.5-168.1-162.136.7000111.6E479 P484 P489E479-H482 HydrophobicContact CB-CB 3.59Å; E479-H482 HydrophobicContact CG-CB 4.38Å; E479-H482 PolarHBondContact O-N 3.37Å; H482-P484 VanDerWaalsContact O-CD 3.31Å; H482-P484 WeakPolarHBondContact O-CD 3.46Å; H482-P489 PolarHBondContact NE2-O 3.23Å
483D92.1Very high94Very high44 Ų4430.1 Ų30.124%0.23516%0.159CC..  trans-54114.5176.6-90.6-72000113.4R185 V485 T488 P489R185-D483 WeakPolarHBondContact CD-OD1 3.49Å; R185-D483 VanDerWaalsContact CZ-CG 3.48Å; R185-D483 IonicContact CZ-OD1 3.42Å; R185-D483 IonicContact CZ-OD2 3.19Å; R185-D483 IonicContact NE-OD1 2.93Å; R185-D483 PolarHBondContact NE-OD1 3.38Å; R185-D483 VanDerWaalsContact NE-OD1 3.1Å; R185-D483 IonicContact NE-OD2 2.77Å; R185-D483 PolarHBondContact NE-OD2 2.89Å; R185-D483 IonicContact NH1-OD1 3.92Å; R185-D483 PolarHBondContact NH1-OD1 2.87Å; R185-D483 VanDerWaalsContact NH1-OD1 3.1Å; D483-V485 PolarHBondContact O-N 3.2Å; D483-V485 VanDerWaalsContact O-N 3.11Å; D483-T488 HydrophobicContact CB-CG2 4.27Å; D483-T488 VanDerWaalsContact O-CG2 3.25Å; D483-T488 WeakPolarHBondContact O-CG2 3.47Å; D483-P489 HydrophobicContact CB-CG 4.46Å; D483-P489 VanDerWaalsContact OD2-CD 3.24Å; D483-P489 WeakPolarHBondContact OD2-CD 3.47Å; D483-P489 WeakPolarHBondContact OD2-CG 3.4Å
484P93.2Very high93.7Very high80 Ų8031.2 Ų31.252%0.51917%0.166SC..  trans-84.620.8-17736.1-37000113.3H482 P575H482-P484 VanDerWaalsContact O-CD 3.31Å; H482-P484 WeakPolarHBondContact O-CD 3.46Å; P484-P575 WeakPolarHBondContact O-CG 3.44Å
485V93.6Very high93.4Very high46 Ų4631.9 Ų31.928%0.27917%0.169SC..SBendtrans-135124.2-173.2-171.50000110.1R185 D483 P487 T488 P575 D577R185-V485 PolarHBondContact NH1-O 3.44Å; D483-V485 PolarHBondContact O-N 3.2Å; D483-V485 VanDerWaalsContact O-N 3.11Å; V485-P487 CarbonylContact O-C 3.52Å; V485-T488 WeakPolarHBondContact O-CG2 3.43Å; V485-P575 HydrophobicContact CB-CB 4.47Å; V485-P575 HydrophobicContact CG1-CB 4.27Å; V485-P575 WeakPolarHBondContact CG1-O 3.39Å; V485-P575 HydrophobicContact CG2-CB 4.21Å; V485-D577 HydrophobicContact CG1-CB 3.78Å
486Y94.8Very high93.3Very high0 Ų032.2 Ų32.20%017%0.171CC..BIsolated β-bridgetrans-85.8140.8-179.8179.8-92.8000111.6P515 T528 V530 F564 L574 P575 L576 D577 A585Y486-P515 HydrophobicContact CE2-CB 4.45Å; Y486-P515 HydrophobicContact CE2-CG 4.34Å; Y486-P515 WeakPolarHBondContact OH-CD 3.01Å; Y486-P515 VanDerWaalsContact OH-CG 3.32Å; Y486-P515 WeakPolarHBondContact OH-CG 3.26Å; Y486-T528 PolarHBondContact OH-OG1 3.15Å; Y486-V530 HydrophobicContact CD1-CG2 4.47Å; Y486-V530 HydrophobicContact CD2-CG2 3.38Å; Y486-V530 HydrophobicContact CE1-CG2 4.45Å; Y486-V530 HydrophobicContact CE2-CB 4.4Å; Y486-V530 HydrophobicContact CE2-CG2 3.34Å; Y486-V530 HydrophobicContact CG-CG2 3.96Å; Y486-F564 WeakPolarHBondContact OH-CB 3.13Å; Y486-L574 HydrophobicContact CG-CD1 4.44Å; Y486-P575 PolarHBondContact N-O 3.19Å; Y486-L576 HydrophobicContact CD1-CD1 3.74Å; Y486-L576 HydrophobicContact CE1-CD1 4.36Å; Y486-D577 PolarHBondContact O-N 2.87Å; Y486-A585 HydrophobicContact CE1-CB 4.27Å
487P94.5Very high92.8Very high3 Ų339.3 Ų39.32%0.01920%0.204CC..SBendcis-62.2146.4-8.3-28.940.1000113.8R185 V485 D514 L580 A585R185-P487 PolarHBondContact NH1-O 3.4Å; R185-P487 PolarHBondContact NH2-O 3.44Å; V485-P487 CarbonylContact O-C 3.52Å; P487-D514 CarbonylContact C-O 3.56Å; P487-D514 WeakPolarHBondContact CA-O 3.39Å; P487-D514 WeakPolarHBondContact CB-O 3.5Å; P487-L580 HydrophobicContact CG-CB 4.38Å; P487-A585 HydrophobicContact CG-CB 3.97Å
488T93.5Very high92.5Very high1 Ų144.7 Ų44.71%0.00623%0.228CC..BIsolated β-bridgetrans-99.8152.7175.962.20000111.8S475 W477 D483 V485 P513 D514S475-T488 WeakPolarHBondContact CB-OG1 3.49Å; S475-T488 PolarHBondContact OG-OG1 3.2Å; W477-T488 HydrophobicContact CB-CG2 3.85Å; D483-T488 HydrophobicContact CB-CG2 4.27Å; D483-T488 VanDerWaalsContact O-CG2 3.25Å; D483-T488 WeakPolarHBondContact O-CG2 3.47Å; V485-T488 WeakPolarHBondContact O-CG2 3.43Å; T488-P513 VanDerWaalsContact O-CA 3.31Å; T488-P513 WeakPolarHBondContact O-CA 3.13Å; T488-P513 WeakPolarHBondContact O-CB 3.4Å; T488-D514 PolarHBondContact N-O 3.42Å; T488-D514 PolarHBondContact O-N 3.46Å; T488-D514 VanDerWaalsContact O-N 3.14Å; T488-D514 WeakPolarHBondContact OG1-CB 3.3Å
489P93.4Very high92.2Very high15 Ų1545.6 Ų45.610%0.09724%0.236CC..PPolyproline II helixtrans-86.9168.5178.735.2-25000110.9H182 R185 S475 H482 D483H182-P489 HydrophobicContact CB-CB 4.18Å; R185-P489 VanDerWaalsContact NH2-CD 3.31Å; S475-P489 PolarHBondContact OG-O 2.94Å; H482-P489 PolarHBondContact NE2-O 3.23Å; D483-P489 HydrophobicContact CB-CG 4.46Å; D483-P489 VanDerWaalsContact OD2-CD 3.24Å; D483-P489 WeakPolarHBondContact OD2-CD 3.47Å; D483-P489 WeakPolarHBondContact OD2-CG 3.4Å
490P93.9Very high91.8Very high41 Ų4149.9 Ų49.927%0.26626%0.264SS..PPolyproline II helixtrans-55.6146.3167.5-18.430.3000110.9H182 P513H182-P490 VanDerWaalsContact CD2-CD 3.44Å; H182-P490 WeakPolarHBondContact CD2-CD 3.44Å; H182-P490 WeakPolarHBondContact NE2-CD 3.37Å; P490-P513 HydrophobicContact CG-CB 4.43Å
491I92.8Very high91.5Very high9 Ų953.8 Ų53.85%0.04628%0.28CS..PPolyproline II helixtrans-72.5135.1-179.1-51.3177.8000109.5F453 I473 K493 W495 F511F453-I491 HydrophobicContact CE1-CD1 4.15Å; F453-I491 HydrophobicContact CE1-CG2 3.91Å; F453-I491 HydrophobicContact CE2-CD1 3.95Å; F453-I491 HydrophobicContact CZ-CD1 3.37Å; F453-I491 HydrophobicContact CZ-CG2 4.22Å; I473-I491 HydrophobicContact CG2-CD1 4.41Å; I491-K493 PolarHBondContact O-N 3.2Å; I491-W495 HydrophobicContact CG2-CH2 4.5Å; I491-W495 HydrophobicContact CG2-CZ3 4.08Å; I491-F511 HydrophobicContact CB-CD1 3.94Å; I491-F511 HydrophobicContact CB-CE1 4.38Å; I491-F511 HydrophobicContact CD1-CD1 4.4Å; I491-F511 HydrophobicContact CG1-CD1 4.42Å
492D90Very high91.4Very high106 Ų10651.7 Ų51.757%0.56727%0.271SS*.PPolyproline II helixtrans-64.8121.3-177.717038.2000112S494 W495D492-S494 VanDerWaalsContact C-N 3.26Å; D492-S494 PolarHBondContact O-N 3.46Å; D492-S494 PolarHBondContact OD1-N 3.37Å; D492-S494 VanDerWaalsContact OD1-N 3.14Å; D492-S494 WeakPolarHBondContact OD2-CB 3.48Å; D492-S494 PolarHBondContact OD2-OG 3.07Å; D492-W495 WeakPolarHBondContact O-CZ3 2.95Å
493K89.8Confident91.2Very high86 Ų8654.4 Ų54.437%0.37429%0.286SS..THydrogen-bonded Turntrans-78.71.8-176.5-59.5-162.4-164.3-164.10114.7I491 W495 I496 V509 F511I491-K493 PolarHBondContact O-N 3.2Å; K493-W495 PolarHBondContact O-N 3.47Å; K493-I496 HydrophobicContact CB-CD1 4.07Å; K493-I496 HydrophobicContact CD-CD1 4.45Å; K493-I496 HydrophobicContact CG-CD1 4.38Å; K493-I496 WeakPolarHBondContact O-CB 3.4Å; K493-I496 PolarHBondContact O-N 3.08Å; K493-V509 PolarHBondContact NZ-O 3.43Å; K493-F511 HydrophobicContact CD-CD2 3.96Å; K493-F511 HydrophobicContact CD-CE2 4.35Å; K493-F511 VanDerWaalsContact CE-CD2 3.5Å; K493-F511 HydrophobicContact CG-CD2 4.08Å; K493-F511 HydrophobicContact CG-CE2 4.37Å
494S90.1Very high91.1Very high23 Ų2355.8 Ų55.816%0.16130%0.299CS..Hα-helixtrans-60.8-17.8-168.176.10000115.6D492 I496 K498D492-S494 VanDerWaalsContact C-N 3.26Å; D492-S494 PolarHBondContact O-N 3.46Å; D492-S494 PolarHBondContact OD1-N 3.37Å; D492-S494 VanDerWaalsContact OD1-N 3.14Å; D492-S494 WeakPolarHBondContact OD2-CB 3.48Å; D492-S494 PolarHBondContact OD2-OG 3.07Å; S494-I496 VanDerWaalsContact C-N 3.33Å; S494-K498 WeakPolarHBondContact O-CD 3.25Å; S494-K498 VanDerWaalsContact O-CE 3.3Å; S494-K498 WeakPolarHBondContact O-CE 3.31Å; S494-K498 VanDerWaalsContact O-CG 3.24Å; S494-K498 WeakPolarHBondContact O-CG 3.42Å; S494-K498 PolarHBondContact O-N 3.07Å; S494-K498 PolarHBondContact OG-NZ 3.5Å
495W92.5Very high90.9Very high13 Ų1352.6 Ų52.65%0.04928%0.279CS..Hα-helixtrans-69.4-30173.183.688.8000113.1F453 Q454 N458 I491 D492 K493 T499 Y506 F511F453-W495 AromaticContact CE1-CH2 3.97Å; F453-W495 HydrophobicContact CE1-CH2 3.97Å; F453-W495 HydrophobicContact CE1-CZ3 4.35Å; Q454-W495 HydrophobicContact CG-CB 4.3Å; Q454-W495 HydrophobicContact CG-CD2 3.75Å; Q454-W495 HydrophobicContact CG-CE3 4.2Å; Q454-W495 HydrophobicContact CG-CG 3.77Å; N458-W495 PolarHBondContact OD1-NE1 3.24Å; N458-W495 VanDerWaalsContact OD1-NE1 3.11Å; I491-W495 HydrophobicContact CG2-CH2 4.5Å; I491-W495 HydrophobicContact CG2-CZ3 4.08Å; D492-W495 WeakPolarHBondContact O-CZ3 2.95Å; K493-W495 PolarHBondContact O-N 3.47Å; W495-T499 WeakPolarHBondContact O-CB 3.43Å; W495-T499 PolarHBondContact O-N 3.08Å; W495-T499 PolarHBondContact O-OG1 2.58Å; W495-Y506 HydrophobicContact CZ2-CE1 4.25Å; W495-F511 AromaticContact CH2-CE1 3.76Å; W495-F511 HydrophobicContact CH2-CE1 3.76Å; W495-F511 HydrophobicContact CH2-CE2 4.38Å; W495-F511 AromaticContact CH2-CZ 3.49Å; W495-F511 HydrophobicContact CH2-CZ 3.49Å; W495-F511 VanDerWaalsContact CH2-CZ 3.49Å; W495-F511 HydrophobicContact CZ2-CE1 4.49Å; W495-F511 AromaticContact CZ2-CZ 3.87Å; W495-F511 HydrophobicContact CZ2-CZ 3.87Å
496I91.1Very high90.9Very high8 Ų851.2 Ų51.24%0.04127%0.269CS..Hα-helixtrans-71.7-44.7-178.6-55.3166.2000109.4K493 S494 K498 T499 L502 L503 Y506 F511K493-I496 HydrophobicContact CB-CD1 4.07Å; K493-I496 HydrophobicContact CD-CD1 4.45Å; K493-I496 HydrophobicContact CG-CD1 4.38Å; K493-I496 WeakPolarHBondContact O-CB 3.4Å; K493-I496 PolarHBondContact O-N 3.08Å; S494-I496 VanDerWaalsContact C-N 3.33Å; I496-K498 VanDerWaalsContact C-N 3.29Å; I496-K498 PolarHBondContact O-N 2.69Å; I496-T499 CarbonylContact O-C 3.57Å; I496-T499 WeakPolarHBondContact O-CA 3.44Å; I496-T499 PolarHBondContact O-N 2.92Å; I496-L502 HydrophobicContact CG2-CB 4.35Å; I496-L503 HydrophobicContact CG2-CD2 4.12Å; I496-Y506 HydrophobicContact CB-CD2 4.49Å; I496-Y506 HydrophobicContact CD1-CD1 3.4Å; I496-Y506 VanDerWaalsContact CD1-CD1 3.4Å; I496-Y506 HydrophobicContact CD1-CD2 3.9Å; I496-Y506 HydrophobicContact CD1-CE1 3.63Å; I496-Y506 HydrophobicContact CD1-CE2 4.08Å; I496-Y506 HydrophobicContact CD1-CG 3.55Å; I496-Y506 HydrophobicContact CG1-CD1 4.29Å; I496-Y506 HydrophobicContact CG1-CD2 3.91Å; I496-Y506 HydrophobicContact CG1-CE1 4.32Å; I496-Y506 HydrophobicContact CG1-CE2 3.92Å; I496-Y506 HydrophobicContact CG1-CG 4.09Å; I496-Y506 HydrophobicContact CG2-CD2 3.76Å; I496-Y506 HydrophobicContact CG2-CE2 4.48Å; I496-Y506 HydrophobicContact CG2-CG 3.99Å; I496-F511 HydrophobicContact CD1-CE2 4.2Å
497E87.1Confident90.8Very high150 Ų15058.8 Ų58.870%0.70130%0.304SS*.Hα-helixtrans-61.9-36.1177.6-60.2-176.1164.900112.6T499E497-T499 PolarHBondContact O-N 3.3Å
498K88.9Confident90.7Very high150 Ų15061.6 Ų61.665%0.65232%0.316SS*.THydrogen-bonded Turntrans-70.5-10.8174.9-65.6160.8-165.7152.60112.8S494 I496S494-K498 WeakPolarHBondContact O-CD 3.25Å; S494-K498 VanDerWaalsContact O-CE 3.3Å; S494-K498 WeakPolarHBondContact O-CE 3.31Å; S494-K498 VanDerWaalsContact O-CG 3.24Å; S494-K498 WeakPolarHBondContact O-CG 3.42Å; S494-K498 PolarHBondContact O-N 3.07Å; S494-K498 PolarHBondContact OG-NZ 3.5Å; I496-K498 VanDerWaalsContact C-N 3.29Å; I496-K498 PolarHBondContact O-N 2.69Å
499T89.2Confident90.8Very high40 Ų4061.9 Ų61.925%0.24532%0.318CS..  trans-132.276.2-166.6-48.80000111.4W495 I496 E497 H501 L502W495-T499 WeakPolarHBondContact O-CB 3.43Å; W495-T499 PolarHBondContact O-N 3.08Å; W495-T499 PolarHBondContact O-OG1 2.58Å; I496-T499 CarbonylContact O-C 3.57Å; I496-T499 WeakPolarHBondContact O-CA 3.44Å; I496-T499 PolarHBondContact O-N 2.92Å; E497-T499 PolarHBondContact O-N 3.3Å; T499-H501 WeakPolarHBondContact CG2-CE1 3.15Å; T499-H501 PolarHBondContact O-N 2.9Å; T499-L502 HydrophobicContact CG2-CD1 3.59Å; T499-L502 HydrophobicContact CG2-CG 3.78Å; T499-L502 PolarHBondContact O-N 3.28Å
500P86.5Confident90.8Very high92 Ų9263.8 Ų63.860%0.59733%0.325SS*.G310 helixtrans-58.2-23.8-165.7-29.336.2000116.9L502 L503P500-L502 PolarHBondContact O-N 3.01Å; P500-L503 HydrophobicContact CB-CD1 4.22Å; P500-L503 PolarHBondContact O-N 2.73Å
501H88.8Confident90.9Very high140 Ų14062.7 Ų62.765%0.64832%0.316SS*.G310 helixtrans-72.8-15.7177.962.7-94.5000113.8T499T499-H501 WeakPolarHBondContact CG2-CE1 3.15Å; T499-H501 PolarHBondContact O-N 2.9Å
502L89.5Confident91Very high2 Ų262.2 Ų62.21%0.0131%0.314CS..G310 helixtrans-86.2-16.3175.6-64.8177.6000112.7N458 I496 T499 P500 S504 S505 Y506N458-L502 HydrophobicContact CB-CD2 4.43Å; N458-L502 WeakPolarHBondContact OD1-CD1 3.47Å; I496-L502 HydrophobicContact CG2-CB 4.35Å; T499-L502 HydrophobicContact CG2-CD1 3.59Å; T499-L502 HydrophobicContact CG2-CG 3.78Å; T499-L502 PolarHBondContact O-N 3.28Å; P500-L502 PolarHBondContact O-N 3.01Å; L502-S504 VanDerWaalsContact C-N 3.27Å; L502-S504 PolarHBondContact O-N 3.3Å; L502-S505 WeakPolarHBondContact O-CA 3.03Å; L502-S505 WeakPolarHBondContact O-CB 3.43Å; L502-S505 PolarHBondContact O-N 3.08Å; L502-Y506 HydrophobicContact CB-CD2 3.93Å; L502-Y506 HydrophobicContact CB-CE2 4.06Å; L502-Y506 HydrophobicContact CD1-CE2 4.34Å; L502-Y506 WeakPolarHBondContact O-CD2 3.34Å; L502-Y506 PolarHBondContact O-N 2.75Å; L502-Y506 VanDerWaalsContact O-N 3.08Å
503L89.3Confident91.2Very high93 Ų9357.3 Ų57.349%0.48729%0.288SS..THydrogen-bonded Turntrans-56.3-38.8-172.3-71.4168.2000113.1I496 P500 Y506 E507I496-L503 HydrophobicContact CG2-CD2 4.12Å; P500-L503 HydrophobicContact CB-CD1 4.22Å; P500-L503 PolarHBondContact O-N 2.73Å; L503-Y506 PolarHBondContact O-N 2.78Å; L503-E507 PolarHBondContact O-N 2.71Å
504S90.2Very high91.5Very high73 Ų7353.2 Ų53.251%0.5127%0.27SS..THydrogen-bonded Turntrans-68.1-40174.745.90000112.8L502 Y506 E507L502-S504 VanDerWaalsContact C-N 3.27Å; L502-S504 PolarHBondContact O-N 3.3Å; S504-Y506 PolarHBondContact O-N 2.88Å; S504-E507 PolarHBondContact O-N 3.37Å
505S90.3Very high91.8Very high14 Ų1452.1 Ų52.110%0.09826%0.262CS..THydrogen-bonded Turntrans-65.5-25.5177-56.30000113E462 L502 V509E462-S505 WeakPolarHBondContact CG-OG 3.49Å; L502-S505 WeakPolarHBondContact O-CA 3.03Å; L502-S505 WeakPolarHBondContact O-CB 3.43Å; L502-S505 PolarHBondContact O-N 3.08Å; S505-V509 WeakPolarHBondContact O-CG2 3.25Å
506Y93.7Very high92Very high17 Ų1751.5 Ų51.57%0.06726%0.26CS..THydrogen-bonded Turntrans-96.9-0.6-179.8-78.1-83.2000115.4V457 N458 S461 W495 I496 L502 L503 S504 K508 V509 F511V457-Y506 HydrophobicContact CG1-CE1 4.2Å; V457-Y506 WeakPolarHBondContact CG1-OH 3.36Å; N458-Y506 WeakPolarHBondContact CA-OH 3.47Å; N458-Y506 PolarHBondContact N-OH 3.43Å; N458-Y506 PolarHBondContact OD1-OH 3.22Å; S461-Y506 VanDerWaalsContact OG-CE2 3.3Å; S461-Y506 WeakPolarHBondContact OG-CE2 3.5Å; W495-Y506 HydrophobicContact CZ2-CE1 4.25Å; I496-Y506 HydrophobicContact CB-CD2 4.49Å; I496-Y506 HydrophobicContact CD1-CD1 3.4Å; I496-Y506 VanDerWaalsContact CD1-CD1 3.4Å; I496-Y506 HydrophobicContact CD1-CD2 3.9Å; I496-Y506 HydrophobicContact CD1-CE1 3.63Å; I496-Y506 HydrophobicContact CD1-CE2 4.08Å; I496-Y506 HydrophobicContact CD1-CG 3.55Å; I496-Y506 HydrophobicContact CG1-CD1 4.29Å; I496-Y506 HydrophobicContact CG1-CD2 3.91Å; I496-Y506 HydrophobicContact CG1-CE1 4.32Å; I496-Y506 HydrophobicContact CG1-CE2 3.92Å; I496-Y506 HydrophobicContact CG1-CG 4.09Å; I496-Y506 HydrophobicContact CG2-CD2 3.76Å; I496-Y506 HydrophobicContact CG2-CE2 4.48Å; I496-Y506 HydrophobicContact CG2-CG 3.99Å; L502-Y506 HydrophobicContact CB-CD2 3.93Å; L502-Y506 HydrophobicContact CB-CE2 4.06Å; L502-Y506 HydrophobicContact CD1-CE2 4.34Å; L502-Y506 WeakPolarHBondContact O-CD2 3.34Å; L502-Y506 PolarHBondContact O-N 2.75Å; L502-Y506 VanDerWaalsContact O-N 3.08Å; L503-Y506 PolarHBondContact O-N 2.78Å; S504-Y506 PolarHBondContact O-N 2.88Å; Y506-K508 VanDerWaalsContact C-N 3.27Å; Y506-K508 PolarHBondContact O-N 2.84Å; Y506-V509 HydrophobicContact CD1-CB 3.71Å; Y506-V509 HydrophobicContact CD1-CG1 3.77Å; Y506-V509 HydrophobicContact CD1-CG2 3.81Å; Y506-V509 HydrophobicContact CE1-CB 4.48Å; Y506-V509 HydrophobicContact CE1-CG1 4.1Å; Y506-V509 HydrophobicContact CE1-CG2 4.48Å; Y506-V509 HydrophobicContact CG-CB 4.5Å; Y506-V509 HydrophobicContact CG-CG2 4.36Å; Y506-V509 WeakPolarHBondContact O-CB 3.46Å; Y506-V509 PolarHBondContact O-N 3.09Å; Y506-F511 AromaticContact CD1-CE2 3.97Å; Y506-F511 HydrophobicContact CD1-CE2 3.97Å; Y506-F511 HydrophobicContact CD1-CZ 4.4Å; Y506-F511 AromaticContact CE1-CE2 3.86Å; Y506-F511 HydrophobicContact CE1-CE2 3.86Å; Y506-F511 AromaticContact CE1-CZ 3.82Å; Y506-F511 HydrophobicContact CE1-CZ 3.82Å
507E91.2Very high92.3Very high159 Ų15951.1 Ų51.174%0.74326%0.258SS*.THydrogen-bonded Turntrans-55.5-39.6-177.6-172.4-174.5166.900112.9L503 S504L503-E507 PolarHBondContact O-N 2.71Å; S504-E507 PolarHBondContact O-N 3.37Å
508K92.5Very high92.6Very high61 Ų6144.2 Ų44.227%0.26523%0.226SC..THydrogen-bonded Turntrans-100.821.3-179.5-63.9178.7176.3176.90113.5S468 R470 L471 Y506S468-K508 PolarHBondContact O-NZ 3.31Å; S468-K508 PolarHBondContact OG-NZ 2.95Å; R470-K508 HydrophobicContact CG-CB 4.41Å; L471-K508 PolarHBondContact N-O 3.01Å; Y506-K508 VanDerWaalsContact C-N 3.27Å; Y506-K508 PolarHBondContact O-N 2.84Å
509V95Very high92.9Very high8 Ų839.9 Ų39.95%0.04821%0.208CC..EExtended strand (participates in β ladder)trans-110.7115.8-172.6-173.80000112.9L471 I473 K493 S505 Y506 F511L471-V509 HydrophobicContact CB-CG1 4.41Å; L471-V509 HydrophobicContact CB-CG2 4.12Å; L471-V509 HydrophobicContact CD2-CG1 3.98Å; L471-V509 HydrophobicContact CD2-CG2 4.01Å; L471-V509 HydrophobicContact CG-CG1 4.21Å; L471-V509 WeakPolarHBondContact O-CA 3.5Å; I473-V509 HydrophobicContact CD1-CG1 4.14Å; K493-V509 PolarHBondContact NZ-O 3.43Å; S505-V509 WeakPolarHBondContact O-CG2 3.25Å; Y506-V509 HydrophobicContact CD1-CB 3.71Å; Y506-V509 HydrophobicContact CD1-CG1 3.77Å; Y506-V509 HydrophobicContact CD1-CG2 3.81Å; Y506-V509 HydrophobicContact CE1-CB 4.48Å; Y506-V509 HydrophobicContact CE1-CG1 4.1Å; Y506-V509 HydrophobicContact CE1-CG2 4.48Å; Y506-V509 HydrophobicContact CG-CB 4.5Å; Y506-V509 HydrophobicContact CG-CG2 4.36Å; Y506-V509 WeakPolarHBondContact O-CB 3.46Å; Y506-V509 PolarHBondContact O-N 3.09Å; V509-F511 HydrophobicContact CG1-CD2 4.07Å; V509-F511 HydrophobicContact CG1-CE2 3.65Å; V509-F511 HydrophobicContact CG1-CZ 4.26Å
510H94.6Very high93.1Very high54 Ų5438 Ų3825%0.2520%0.196CC..EExtended strand (participates in β ladder)trans-102.9130.3176.6-60.5-98.8000110.1P174 L471 I472 I473P174-H510 HydrophobicContact CG-CB 4.47Å; P174-H510 VanDerWaalsContact CG-CD2 3.49Å; P174-H510 WeakPolarHBondContact CG-CD2 3.49Å; L471-H510 PolarHBondContact O-N 3Å; I472-H510 CarbonylContact C-O 3.6Å; I472-H510 WeakPolarHBondContact CA-O 3.28Å; I473-H510 PolarHBondContact N-O 2.86Å
511F95Very high93.2Very high18 Ų1835.1 Ų35.18%0.07918%0.183CC..EExtended strand (participates in β ladder)trans-107.2141.2172.5-72.9-96.7000108.6V457 I473 I491 K493 W495 I496 Y506 V509V457-F511 HydrophobicContact CG1-CE1 4.33Å; V457-F511 HydrophobicContact CG1-CZ 4.06Å; I473-F511 HydrophobicContact CB-CD1 3.9Å; I473-F511 HydrophobicContact CB-CE1 4.1Å; I473-F511 HydrophobicContact CD1-CD1 4.35Å; I473-F511 HydrophobicContact CD1-CE1 3.71Å; I473-F511 HydrophobicContact CD1-CZ 3.88Å; I473-F511 HydrophobicContact CG2-CD1 3.89Å; I473-F511 HydrophobicContact CG2-CE1 3.98Å; I473-F511 CarbonylContact O-C 3.35Å; I473-F511 WeakPolarHBondContact O-CA 3.45Å; I491-F511 HydrophobicContact CB-CD1 3.94Å; I491-F511 HydrophobicContact CB-CE1 4.38Å; I491-F511 HydrophobicContact CD1-CD1 4.4Å; I491-F511 HydrophobicContact CG1-CD1 4.42Å; K493-F511 HydrophobicContact CD-CD2 3.96Å; K493-F511 HydrophobicContact CD-CE2 4.35Å; K493-F511 VanDerWaalsContact CE-CD2 3.5Å; K493-F511 HydrophobicContact CG-CD2 4.08Å; K493-F511 HydrophobicContact CG-CE2 4.37Å; W495-F511 AromaticContact CH2-CE1 3.76Å; W495-F511 HydrophobicContact CH2-CE1 3.76Å; W495-F511 HydrophobicContact CH2-CE2 4.38Å; W495-F511 AromaticContact CH2-CZ 3.49Å; W495-F511 HydrophobicContact CH2-CZ 3.49Å; W495-F511 VanDerWaalsContact CH2-CZ 3.49Å; W495-F511 HydrophobicContact CZ2-CE1 4.49Å; W495-F511 AromaticContact CZ2-CZ 3.87Å; W495-F511 HydrophobicContact CZ2-CZ 3.87Å; I496-F511 HydrophobicContact CD1-CE2 4.2Å; Y506-F511 AromaticContact CD1-CE2 3.97Å; Y506-F511 HydrophobicContact CD1-CE2 3.97Å; Y506-F511 HydrophobicContact CD1-CZ 4.4Å; Y506-F511 AromaticContact CE1-CE2 3.86Å; Y506-F511 HydrophobicContact CE1-CE2 3.86Å; Y506-F511 AromaticContact CE1-CZ 3.82Å; Y506-F511 HydrophobicContact CE1-CZ 3.82Å; V509-F511 HydrophobicContact CG1-CD2 4.07Å; V509-F511 HydrophobicContact CG1-CE2 3.65Å; V509-F511 HydrophobicContact CG1-CZ 4.26Å
512A95Very high93.2Very high0 Ų030.4 Ų30.40%016%0.162CC..EExtended strand (participates in β ladder)trans-135.5156.6-16700000112.8I473 I474 S475 F518I473-A512 PolarHBondContact O-N 3.21Å; I474-A512 HydrophobicContact CD1-CB 3.51Å; S475-A512 PolarHBondContact N-O 3.34Å; S475-A512 PolarHBondContact OG-O 3.18Å; A512-F518 HydrophobicContact CB-CE2 3.4Å; A512-F518 HydrophobicContact CB-CZ 3.47Å; A512-F518 VanDerWaalsContact CB-CZ 3.47Å
513P95.4Very high93.4Very high2 Ų230.4 Ų30.41%0.01316%0.162CC..  trans-75.3164.8169.231.7-28.5000111.6L176 T178 I474 T488 P490 P515 C516L176-P513 HydrophobicContact CD2-CG 4.44Å; T178-P513 HydrophobicContact CG2-CG 4.47Å; I474-P513 WeakPolarHBondContact CG2-O 3.18Å; T488-P513 VanDerWaalsContact O-CA 3.31Å; T488-P513 WeakPolarHBondContact O-CA 3.13Å; T488-P513 WeakPolarHBondContact O-CB 3.4Å; P490-P513 HydrophobicContact CG-CB 4.43Å; P513-P515 CarbonylContact O-C 3.6Å; P513-C516 HydrophobicContact CG-CB 4.14Å; P513-C516 WeakPolarHBondContact O-CB 3.45Å; P513-C516 PolarHBondContact O-SG 2.86Å; P513-C516 VanDerWaalsContact O-SG 3.34Å
514D96Very high93.7Very high0 Ų026.1 Ų26.10%014%0.139CC..BIsolated β-bridgetrans-117.4116.7167.8177.134.9000109.4I474 S475 P487 T488 T528 S529I474-D514 HydrophobicContact CG2-CB 4.13Å; S475-D514 VanDerWaalsContact O-CB 3.31Å; S475-D514 WeakPolarHBondContact O-CB 3.48Å; S475-D514 PolarHBondContact OG-N 3.37Å; P487-D514 CarbonylContact C-O 3.56Å; P487-D514 WeakPolarHBondContact CA-O 3.39Å; P487-D514 WeakPolarHBondContact CB-O 3.5Å; T488-D514 PolarHBondContact N-O 3.42Å; T488-D514 PolarHBondContact O-N 3.46Å; T488-D514 VanDerWaalsContact O-N 3.14Å; T488-D514 WeakPolarHBondContact OG1-CB 3.3Å; D514-T528 WeakPolarHBondContact OD1-CA 3.43Å; D514-S529 PolarHBondContact OD1-N 3.3Å; D514-S529 WeakPolarHBondContact OD2-CB 3.34Å; D514-S529 PolarHBondContact OD2-OG 3.46Å
515P97Very high94.1Very high0 Ų022.8 Ų22.80%012%0.115CC..SBendcis-86173.1338.5-33.6000112Y486 P513 L527 F564 A585Y486-P515 HydrophobicContact CE2-CB 4.45Å; Y486-P515 HydrophobicContact CE2-CG 4.34Å; Y486-P515 WeakPolarHBondContact OH-CD 3.01Å; Y486-P515 VanDerWaalsContact OH-CG 3.32Å; Y486-P515 WeakPolarHBondContact OH-CG 3.26Å; P513-P515 CarbonylContact O-C 3.6Å; P515-L527 WeakPolarHBondContact CA-O 3.36Å; P515-L527 VanDerWaalsContact CB-O 3.3Å; P515-L527 WeakPolarHBondContact CB-O 3.01Å; P515-F564 HydrophobicContact CB-CB 3.79Å; P515-F564 HydrophobicContact CB-CD1 3.71Å; P515-F564 HydrophobicContact CB-CD2 3.44Å; P515-F564 VanDerWaalsContact CB-CD2 3.44Å; P515-F564 HydrophobicContact CB-CE1 4.1Å; P515-F564 HydrophobicContact CB-CE2 3.84Å; P515-F564 HydrophobicContact CB-CG 3.35Å; P515-F564 HydrophobicContact CB-CZ 4.15Å; P515-F564 HydrophobicContact CG-CB 3.79Å; P515-F564 HydrophobicContact CG-CD1 4.47Å; P515-F564 HydrophobicContact CG-CD2 3.39Å; P515-F564 HydrophobicContact CG-CE2 4.04Å; P515-F564 HydrophobicContact CG-CG 3.64Å; P515-A585 HydrophobicContact CG-CB 4Å
516C96.3Very high94.4Very high0 Ų022.1 Ų22.10%011%0.111CC..EExtended strand (participates in β ladder)trans-149.1157.4176.654.20000114.1L176 P513 F518 L527 F564L176-C516 HydrophobicContact CD1-CB 3.8Å; P513-C516 HydrophobicContact CG-CB 4.14Å; P513-C516 WeakPolarHBondContact O-CB 3.45Å; P513-C516 PolarHBondContact O-SG 2.86Å; P513-C516 VanDerWaalsContact O-SG 3.34Å; C516-F518 HydrophobicContact CB-CD2 4.24Å; C516-F518 HydrophobicContact CB-CE2 4.04Å; C516-F518 VanDerWaalsContact SG-CE2 3.58Å; C516-L527 PolarHBondContact N-O 3.45Å; C516-L527 PolarHBondContact O-N 2.96Å; C516-F564 WeakPolarHBondContact O-CZ 3.44Å
517L96.7Very high94.6Very high1 Ų121.3 Ų21.31%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-112.9123.3165.6-75.4164.2000109.1L177 T178 V524 F525 F564 S588 V589 P591L177-L517 HydrophobicContact CB-CB 3.99Å; L177-L517 WeakPolarHBondContact CB-O 3.49Å; L177-L517 HydrophobicContact CD1-CB 4.45Å; L177-L517 PolarHBondContact N-O 3.18Å; T178-L517 PolarHBondContact OG1-N 3.2Å; T178-L517 VanDerWaalsContact OG1-N 3.15Å; L517-V524 HydrophobicContact CD2-CG1 4.04Å; L517-F525 WeakPolarHBondContact CA-O 3.16Å; L517-F564 HydrophobicContact CD2-CZ 4.21Å; L517-F564 HydrophobicContact CG-CE2 4.3Å; L517-F564 HydrophobicContact CG-CZ 4.06Å; L517-S588 WeakPolarHBondContact CD1-OG 3.48Å; L517-V589 HydrophobicContact CD1-CG2 4.45Å; L517-P591 HydrophobicContact CD2-CB 3.84Å; L517-P591 HydrophobicContact CD2-CG 4.26Å
518F93.8Very high94.9Very high4 Ų413.7 Ų13.72%0.0187%0.072CC..EExtended strand (participates in β ladder)trans-115.8138175.3-85.8-78.5000111.8P174 T175 L176 I472 I474 A512 C516 V524 F525 L527P174-F518 HydrophobicContact CB-CD1 4.12Å; T175-F518 CarbonylContact O-C 3.41Å; T175-F518 WeakPolarHBondContact O-CA 3.49Å; L176-F518 HydrophobicContact CB-CD1 4.19Å; L176-F518 HydrophobicContact CB-CE1 3.67Å; L176-F518 HydrophobicContact CB-CZ 4.14Å; L176-F518 HydrophobicContact CD1-CD1 4.33Å; L176-F518 HydrophobicContact CD1-CD2 4.21Å; L176-F518 HydrophobicContact CD1-CE1 3.9Å; L176-F518 HydrophobicContact CD1-CE2 3.78Å; L176-F518 HydrophobicContact CD1-CG 4.47Å; L176-F518 HydrophobicContact CD1-CZ 3.6Å; L176-F518 HydrophobicContact CG-CE1 4.35Å; L176-F518 HydrophobicContact CG-CZ 4.36Å; I472-F518 HydrophobicContact CG2-CE2 3.98Å; I472-F518 HydrophobicContact CG2-CZ 4.02Å; I474-F518 HydrophobicContact CD1-CD2 4.45Å; I474-F518 HydrophobicContact CD1-CE2 3.87Å; A512-F518 HydrophobicContact CB-CE2 3.4Å; A512-F518 HydrophobicContact CB-CZ 3.47Å; A512-F518 VanDerWaalsContact CB-CZ 3.47Å; C516-F518 HydrophobicContact CB-CD2 4.24Å; C516-F518 HydrophobicContact CB-CE2 4.04Å; C516-F518 VanDerWaalsContact SG-CE2 3.58Å; F518-V524 CarbonylContact O-C 3.54Å; F518-V524 WeakPolarHBondContact O-CA 3.1Å; F518-F525 PolarHBondContact N-O 2.66Å; F518-F525 PolarHBondContact O-N 3.25Å; F518-L527 HydrophobicContact CD2-CD1 4.02Å
519Q94.6Very high95.2Very high60 Ų6011.2 Ų11.228%0.286%0.063SC..EExtended strand (participates in β ladder)trans-101.6130.2168.6-178.4170.1-11.900110.4P174 T175 L177 G521 Y523 V524P174-Q519 WeakPolarHBondContact CA-O 3.44Å; T175-Q519 PolarHBondContact N-O 2.99Å; T175-Q519 PolarHBondContact O-N 2.91Å; L177-Q519 HydrophobicContact CD1-CB 4.19Å; L177-Q519 HydrophobicContact CD2-CB 4.02Å; L177-Q519 HydrophobicContact CG-CB 4.12Å; Q519-G521 WeakPolarHBondContact CG-O 3.38Å; Q519-G521 PolarHBondContact NE2-O 3.16Å; Q519-Y523 CarbonylContact C-O 3.55Å; Q519-Y523 VanDerWaalsContact CA-O 3.25Å; Q519-Y523 WeakPolarHBondContact CA-O 3.23Å; Q519-V524 HydrophobicContact CB-CG2 4.42Å; Q519-V524 HydrophobicContact CG-CG2 4.43Å
520I93.3Very high95.3Very high0 Ų011.1 Ų11.10%06%0.062CC..EExtended strand (participates in β ladder)trans-129.8109174.3-52.8175.1000106.8W172 P174 L392 I394 V426 I472 E522 Y523 F525W172-I520 HydrophobicContact CB-CG2 4.12Å; W172-I520 HydrophobicContact CE3-CG2 4.12Å; P174-I520 HydrophobicContact CB-CG1 4.09Å; L392-I520 HydrophobicContact CD1-CG2 3.95Å; L392-I520 HydrophobicContact CD2-CB 4.17Å; L392-I520 HydrophobicContact CD2-CG2 3.68Å; I394-I520 HydrophobicContact CD1-CD1 4.14Å; V426-I520 HydrophobicContact CG1-CD1 4.3Å; V426-I520 HydrophobicContact CG2-CD1 4.44Å; I472-I520 HydrophobicContact CD1-CD1 4.27Å; I520-E522 PolarHBondContact O-N 3.22Å; I520-Y523 PolarHBondContact N-O 3.02Å; I520-Y523 WeakPolarHBondContact O-CB 3.32Å; I520-Y523 PolarHBondContact O-N 3.45Å; I520-Y523 VanDerWaalsContact O-N 3.15Å; I520-F525 HydrophobicContact CB-CE2 4.25Å; I520-F525 HydrophobicContact CD1-CD2 4.16Å; I520-F525 HydrophobicContact CD1-CE2 4.25Å; I520-F525 HydrophobicContact CG1-CD2 4.32Å; I520-F525 HydrophobicContact CG1-CE2 4.44Å
521G89.1Confident95.4Very high32 Ų329.3 Ų9.333%0.335%0.054SC..THydrogen-bonded Turntrans62.8-129.6-16500000111.1Q519Q519-G521 WeakPolarHBondContact CG-O 3.38Å; Q519-G521 PolarHBondContact NE2-O 3.16Å
522E89.3Confident95.5Very high41 Ų418.5 Ų8.519%0.1925%0.05CC..THydrogen-bonded Turntrans-90.40.5173.9-58.5-70.6107.100112.7I383 K387 I520 H592I383-E522 HydrophobicContact CG2-CB 4.15Å; K387-E522 HydrophobicContact CB-CG 3.96Å; K387-E522 HydrophobicContact CD-CG 3.93Å; K387-E522 WeakPolarHBondContact CD-OE1 3.32Å; K387-E522 VanDerWaalsContact CD-OE2 3.3Å; K387-E522 WeakPolarHBondContact CD-OE2 3.47Å; K387-E522 IonicContact NZ-OE1 3.32Å; K387-E522 PolarHBondContact NZ-OE1 3.33Å; K387-E522 IonicContact NZ-OE2 3.11Å; K387-E522 PolarHBondContact NZ-OE2 3.38Å; I520-E522 PolarHBondContact O-N 3.22Å; E522-H592 PolarHBondContact O-CE1 3.15Å
523Y93.5Very high95.6Very high2 Ų28.5 Ų8.51%0.0085%0.051CC..EExtended strand (participates in β ladder)trans-96.4143.5-173.9-49.7-58.5000111.7I383 C388 L392 Q519 I520 V632 I664I383-Y523 HydrophobicContact CD1-CD1 4.3Å; I383-Y523 HydrophobicContact CD1-CE1 4.23Å; I383-Y523 HydrophobicContact CG2-CD1 4.3Å; I383-Y523 HydrophobicContact CG2-CE1 3.72Å; C388-Y523 PolarHBondContact SG-OH 2.69Å; C388-Y523 VanDerWaalsContact SG-OH 3.33Å; L392-Y523 HydrophobicContact CD2-CD2 3.86Å; L392-Y523 HydrophobicContact CD2-CE2 4.44Å; Q519-Y523 CarbonylContact C-O 3.55Å; Q519-Y523 VanDerWaalsContact CA-O 3.25Å; Q519-Y523 WeakPolarHBondContact CA-O 3.23Å; I520-Y523 PolarHBondContact N-O 3.02Å; I520-Y523 WeakPolarHBondContact O-CB 3.32Å; I520-Y523 PolarHBondContact O-N 3.45Å; I520-Y523 VanDerWaalsContact O-N 3.15Å; Y523-V632 HydrophobicContact CD1-CG1 4.24Å; Y523-V632 HydrophobicContact CD2-CB 4.45Å; Y523-V632 HydrophobicContact CD2-CG1 4.07Å; Y523-V632 HydrophobicContact CE1-CG1 3.76Å; Y523-V632 HydrophobicContact CE2-CB 4.11Å; Y523-V632 HydrophobicContact CE2-CG1 3.56Å; Y523-V632 HydrophobicContact CG-CG1 4.37Å; Y523-I664 HydrophobicContact CD1-CD1 3.54Å; Y523-I664 HydrophobicContact CD1-CG1 3.67Å; Y523-I664 HydrophobicContact CE1-CD1 4.22Å; Y523-I664 HydrophobicContact CE1-CG1 3.96Å; Y523-I664 HydrophobicContact CG-CD1 3.82Å; Y523-I664 HydrophobicContact CG-CG1 4.44Å
524V95.9Very high95.6Very high3 Ų311.4 Ų11.42%0.0186%0.063CC..EExtended strand (participates in β ladder)trans-123.2122.3-175.2-178.80000109.7L177 P381 L517 F518 Q519 V589 P591 H592 C593L177-V524 HydrophobicContact CD1-CG1 3.79Å; L177-V524 HydrophobicContact CD1-CG2 4.08Å; P381-V524 HydrophobicContact CG-CG2 4.38Å; L517-V524 HydrophobicContact CD2-CG1 4.04Å; F518-V524 CarbonylContact O-C 3.54Å; F518-V524 WeakPolarHBondContact O-CA 3.1Å; Q519-V524 HydrophobicContact CB-CG2 4.42Å; Q519-V524 HydrophobicContact CG-CG2 4.43Å; V524-V589 HydrophobicContact CG1-CG2 4.09Å; V524-P591 HydrophobicContact CG1-CB 4.32Å; V524-H592 PolarHBondContact N-ND1 3.37Å; V524-H592 WeakPolarHBondContact O-CA 3.39Å; V524-H592 WeakPolarHBondContact O-CB 3.47Å; V524-H592 PolarHBondContact O-N 3.35Å; V524-C593 PolarHBondContact O-N 2.67Å; V524-C593 VanDerWaalsContact O-N 3.12Å
525F97.5Very high95.6Very high2 Ų211.9 Ų11.91%0.0097%0.065CC..EExtended strand (participates in β ladder)trans-110.6121.1-178.3-61.9-91.8000109.2I394 L517 F518 I520 L527 C593I394-F525 HydrophobicContact CD1-CE1 3.75Å; I394-F525 HydrophobicContact CD1-CE2 3.74Å; I394-F525 HydrophobicContact CD1-CZ 3.31Å; L517-F525 WeakPolarHBondContact CA-O 3.16Å; F518-F525 PolarHBondContact N-O 2.66Å; F518-F525 PolarHBondContact O-N 3.25Å; I520-F525 HydrophobicContact CB-CE2 4.25Å; I520-F525 HydrophobicContact CD1-CD2 4.16Å; I520-F525 HydrophobicContact CD1-CE2 4.25Å; I520-F525 HydrophobicContact CG1-CD2 4.32Å; I520-F525 HydrophobicContact CG1-CE2 4.44Å; F525-L527 HydrophobicContact CB-CD1 4.09Å; F525-C593 CarbonylContact C-O 3.17Å; F525-C593 WeakPolarHBondContact CA-O 3.41Å; F525-C593 HydrophobicContact CD1-CB 3.63Å; F525-C593 HydrophobicContact CE1-CB 3.76Å
526G97.8Very high95.5Very high0 Ų011.9 Ų11.90%07%0.065CC..EExtended strand (participates in β ladder)trans-92.6131.8168.100000109.8C593 L594 I595G526-C593 PolarHBondContact N-O 3.02Å; G526-L594 WeakPolarHBondContact O-CA 3.43Å; G526-I595 PolarHBondContact O-N 3.23Å
527L97.8Very high95.5Very high0 Ų012.3 Ų12.30%07%0.069CC..EExtended strand (participates in β ladder)trans-132.3140.7-178.4-55.3105.9000111I428 L430 I474 P515 C516 F518 F525 F564 I595I428-L527 HydrophobicContact CD1-CD2 4.35Å; I428-L527 HydrophobicContact CG2-CD2 3.65Å; L430-L527 HydrophobicContact CD1-CD2 4.24Å; L430-L527 HydrophobicContact CD2-CB 4.33Å; I474-L527 HydrophobicContact CG1-CD2 4.49Å; P515-L527 WeakPolarHBondContact CA-O 3.36Å; P515-L527 VanDerWaalsContact CB-O 3.3Å; P515-L527 WeakPolarHBondContact CB-O 3.01Å; C516-L527 PolarHBondContact N-O 3.45Å; C516-L527 PolarHBondContact O-N 2.96Å; F518-L527 HydrophobicContact CD2-CD1 4.02Å; F525-L527 HydrophobicContact CB-CD1 4.09Å; L527-F564 WeakPolarHBondContact O-CE1 3.41Å; L527-I595 HydrophobicContact CD2-CB 4.08Å; L527-I595 HydrophobicContact CD2-CG1 3.87Å; L527-I595 HydrophobicContact CD2-CG2 4.46Å; L527-I595 HydrophobicContact CG-CB 4.19Å; L527-I595 HydrophobicContact CG-CG1 4.08Å
528T97.8Very high95.3Very high0 Ų014.8 Ų14.80%09%0.085CC..  trans-142.8141.7169.9179.50000109.4L430 Y486 D514 V530 I532 F564 L596 P597L430-T528 WeakPolarHBondContact CD2-O 3.48Å; Y486-T528 PolarHBondContact OH-OG1 3.15Å; D514-T528 WeakPolarHBondContact OD1-CA 3.43Å; T528-V530 PolarHBondContact OG1-N 3.33Å; T528-I532 HydrophobicContact CG2-CG2 4.23Å; T528-F564 HydrophobicContact CG2-CD1 4.1Å; T528-L596 HydrophobicContact CG2-CD2 3.73Å; T528-P597 WeakPolarHBondContact O-CD 3.44Å
529S96.8Very high95.3Very high9 Ų915.2 Ų15.26%0.0639%0.087CC..SBendtrans-84.8-17.3173.783.70000112.7S476 D514S476-S529 WeakPolarHBondContact CA-OG 3.41Å; S476-S529 VanDerWaalsContact CB-OG 3.28Å; S476-S529 WeakPolarHBondContact CB-OG 3.18Å; S476-S529 PolarHBondContact OG-OG 2.91Å; D514-S529 PolarHBondContact OD1-N 3.3Å; D514-S529 WeakPolarHBondContact OD2-CB 3.34Å; D514-S529 PolarHBondContact OD2-OG 3.46Å
530V97.3Very high95.3Very high5 Ų513 Ų133%0.038%0.077CC..SBendtrans-73.1134.3-178.6-177.80000111Y486 T528 I532 Y565 L574Y486-V530 HydrophobicContact CD1-CG2 4.47Å; Y486-V530 HydrophobicContact CD2-CG2 3.38Å; Y486-V530 HydrophobicContact CE1-CG2 4.45Å; Y486-V530 HydrophobicContact CE2-CB 4.4Å; Y486-V530 HydrophobicContact CE2-CG2 3.34Å; Y486-V530 HydrophobicContact CG-CG2 3.96Å; T528-V530 PolarHBondContact OG1-N 3.33Å; V530-I532 PolarHBondContact O-N 3.25Å; V530-Y565 HydrophobicContact CG1-CD2 3.66Å; V530-Y565 HydrophobicContact CG1-CE2 3.59Å; V530-L574 HydrophobicContact CG1-CD1 4.2Å; V530-L574 HydrophobicContact CG1-CD2 3.87Å; V530-L574 HydrophobicContact CG2-CD1 4.02Å
531D97Very high95.4Very high16 Ų1613.9 Ų13.99%0.0868%0.082CC..  trans-75.656.9175.6-165.4-9.2000112.2L533 K534 D535 S598 K599D531-L533 PolarHBondContact O-N 3.08Å; D531-L533 VanDerWaalsContact O-N 3.12Å; D531-K534 HydrophobicContact CB-CB 4.2Å; D531-K534 WeakPolarHBondContact O-CB 3.48Å; D531-K534 PolarHBondContact O-N 2.71Å; D531-K534 VanDerWaalsContact O-N 3.09Å; D531-K534 WeakPolarHBondContact OD1-CB 3.34Å; D531-K534 PolarHBondContact OD1-N 2.77Å; D531-K534 WeakPolarHBondContact OD2-CB 3.41Å; D531-D535 PolarHBondContact O-N 3.11Å; D531-S598 VanDerWaalsContact CG-OG 3.31Å; D531-S598 WeakPolarHBondContact OD1-CA 3.45Å; D531-S598 WeakPolarHBondContact OD1-CB 3.39Å; D531-S598 PolarHBondContact OD1-OG 3.25Å; D531-S598 PolarHBondContact OD2-OG 3.36Å; D531-K599 PolarHBondContact OD2-N 3.03Å
532I97.6Very high95.6Very high1 Ų114.5 Ų14.51%0.0058%0.08CC..Hα-helixtrans-56.8-27.4178.2178.356.2000112.1T528 V530 D535 L536 I558 F564 Y565 V567 L596T528-I532 HydrophobicContact CG2-CG2 4.23Å; V530-I532 PolarHBondContact O-N 3.25Å; I532-D535 PolarHBondContact O-N 2.91Å; I532-L536 HydrophobicContact CD1-CD1 3.91Å; I532-L536 HydrophobicContact CD1-CG 3.8Å; I532-L536 HydrophobicContact CG1-CD1 3.83Å; I532-L536 HydrophobicContact CG1-CG 4.24Å; I532-L536 WeakPolarHBondContact O-CB 3.5Å; I532-L536 PolarHBondContact O-N 2.91Å; I532-I558 HydrophobicContact CG1-CD1 4.03Å; I532-I558 HydrophobicContact CG1-CG1 4.14Å; I532-I558 HydrophobicContact CG2-CD1 3.86Å; I532-F564 WeakPolarHBondContact CG1-O 3.48Å; I532-Y565 HydrophobicContact CB-CD2 4.12Å; I532-Y565 HydrophobicContact CB-CE2 4.43Å; I532-Y565 HydrophobicContact CD1-CD2 3.6Å; I532-Y565 HydrophobicContact CD1-CE2 3.74Å; I532-Y565 HydrophobicContact CD1-CG 4.06Å; I532-Y565 HydrophobicContact CG1-CD2 4.25Å; I532-V567 HydrophobicContact CD1-CB 4.46Å; I532-V567 HydrophobicContact CD1-CG2 3.77Å; I532-L596 HydrophobicContact CG2-CD2 3.95Å
533L97.3Very high95.7Very high1 Ų114.2 Ų14.21%0.0059%0.086CC..Hα-helixtrans-68.1-44.5176.2-70.8173.7000112D531 D535 S537 L554 I558 L596 L600 F603D531-L533 PolarHBondContact O-N 3.08Å; D531-L533 VanDerWaalsContact O-N 3.12Å; L533-D535 VanDerWaalsContact C-N 3.34Å; L533-S537 WeakPolarHBondContact O-CB 3.38Å; L533-S537 PolarHBondContact O-N 3.45Å; L533-L554 HydrophobicContact CD2-CB 3.91Å; L533-I558 HydrophobicContact CD2-CD1 3.94Å; L533-L596 HydrophobicContact CD1-CB 3.55Å; L533-L596 HydrophobicContact CD1-CD1 4Å; L533-L596 HydrophobicContact CD1-CG 4.43Å; L533-L596 HydrophobicContact CD2-CD1 3.94Å; L533-L596 HydrophobicContact CG-CB 4.06Å; L533-L596 HydrophobicContact CG-CD1 4Å; L533-L600 HydrophobicContact CB-CD1 4.01Å; L533-F603 HydrophobicContact CD1-CE1 3.7Å; L533-F603 HydrophobicContact CD1-CZ 3.61Å
534K95.6Very high95.1Very high63 Ų6316.7 Ų16.727%0.27411%0.111SC..Hα-helixtrans-58-49.8171.8169.8-170.3147.3-82.90110.2D531 S537 C538 D571D531-K534 HydrophobicContact CB-CB 4.2Å; D531-K534 WeakPolarHBondContact O-CB 3.48Å; D531-K534 PolarHBondContact O-N 2.71Å; D531-K534 VanDerWaalsContact O-N 3.09Å; D531-K534 WeakPolarHBondContact OD1-CB 3.34Å; D531-K534 PolarHBondContact OD1-N 2.77Å; D531-K534 WeakPolarHBondContact OD2-CB 3.41Å; K534-S537 WeakPolarHBondContact O-CA 3.23Å; K534-S537 WeakPolarHBondContact O-CB 3.23Å; K534-S537 PolarHBondContact O-N 3.28Å; K534-S537 PolarHBondContact O-OG 3.42Å; K534-C538 PolarHBondContact O-N 3.41Å; K534-D571 IonicContact NZ-OD1 3.72Å; K534-D571 PolarHBondContact NZ-OD1 2.89Å
535D95.5Very high94.4Very high9 Ų917.4 Ų17.45%0.04812%0.116CC..Hα-helixtrans-65.1-48.9-172.8-64.7-1000111.7D531 I532 L533 S537 C538 E539 Y565 D571D531-D535 PolarHBondContact O-N 3.11Å; I532-D535 PolarHBondContact O-N 2.91Å; L533-D535 VanDerWaalsContact C-N 3.34Å; D535-S537 PolarHBondContact O-N 3.12Å; D535-C538 WeakPolarHBondContact O-CB 3.11Å; D535-C538 PolarHBondContact O-N 3.3Å; D535-C538 VanDerWaalsContact O-N 3.09Å; D535-E539 PolarHBondContact O-N 3.09Å; D535-E539 VanDerWaalsContact O-N 3.11Å; D535-Y565 HydrophobicContact CB-CE2 4.46Å; D535-Y565 WeakPolarHBondContact OD2-CE2 3.2Å; D535-Y565 PolarHBondContact OD2-OH 3.07Å; D535-D571 WeakPolarHBondContact OD2-CB 3.49Å
536L95.9Very high93.1Very high0 Ų023.2 Ų23.20%016%0.157CC..Hα-helixtrans-58.5-36.9170.4-80.8166.9000111.6Y350 I532 C538 E539 E540 L554 I558 P566 V567Y350-L536 HydrophobicContact CD1-CD2 4.03Å; Y350-L536 HydrophobicContact CD2-CD2 3.67Å; Y350-L536 HydrophobicContact CE1-CD2 4.49Å; Y350-L536 HydrophobicContact CE2-CD2 4.19Å; Y350-L536 HydrophobicContact CG-CD2 3.61Å; I532-L536 HydrophobicContact CD1-CD1 3.91Å; I532-L536 HydrophobicContact CD1-CG 3.8Å; I532-L536 HydrophobicContact CG1-CD1 3.83Å; I532-L536 HydrophobicContact CG1-CG 4.24Å; I532-L536 WeakPolarHBondContact O-CB 3.5Å; I532-L536 PolarHBondContact O-N 2.91Å; L536-C538 PolarHBondContact O-N 3.21Å; L536-E539 PolarHBondContact O-N 3.12Å; L536-E540 VanDerWaalsContact O-CB 3.28Å; L536-E540 WeakPolarHBondContact O-CB 3.47Å; L536-E540 PolarHBondContact O-N 3.19Å; L536-L554 HydrophobicContact CB-CD2 3.79Å; L536-I558 HydrophobicContact CD1-CD1 3.9Å; L536-I558 HydrophobicContact CD1-CG1 3.44Å; L536-I558 VanDerWaalsContact CD1-CG1 3.44Å; L536-P566 HydrophobicContact CD1-CG 4.45Å; L536-P566 HydrophobicContact CD2-CG 4.46Å; L536-V567 HydrophobicContact CB-CG2 4.34Å; L536-V567 HydrophobicContact CD2-CG2 3.37Å; L536-V567 HydrophobicContact CG-CG2 3.51Å
537S94.5Very high91.7Very high10 Ų1027.5 Ų27.57%0.0720%0.201CC..Hα-helixtrans-64.4-30.7178.691.50000112.3L533 K534 D535 R550L533-S537 WeakPolarHBondContact O-CB 3.38Å; L533-S537 PolarHBondContact O-N 3.45Å; K534-S537 WeakPolarHBondContact O-CA 3.23Å; K534-S537 WeakPolarHBondContact O-CB 3.23Å; K534-S537 PolarHBondContact O-N 3.28Å; K534-S537 PolarHBondContact O-OG 3.42Å; D535-S537 PolarHBondContact O-N 3.12Å; S537-R550 VanDerWaalsContact CB-NH2 3.33Å; S537-R550 PolarHBondContact O-NH2 3.34Å
538C92.9Very high90.8Very high52 Ų5229.4 Ų29.435%0.35122%0.215SC..Hα-helixtrans-74-40.9174-740000111.6R310 K534 D535 L536R310-C538 VanDerWaalsContact CZ-O 3.3Å; R310-C538 PolarHBondContact NE-O 2.72Å; R310-C538 PolarHBondContact NH2-O 3.19Å; K534-C538 PolarHBondContact O-N 3.41Å; D535-C538 WeakPolarHBondContact O-CB 3.11Å; D535-C538 PolarHBondContact O-N 3.3Å; D535-C538 VanDerWaalsContact O-N 3.09Å; L536-C538 PolarHBondContact O-N 3.21Å
539E94.1Very high90.4Very high13 Ų1332.5 Ų32.56%0.06123%0.231CC..Hα-helixtrans-93.1-6.3-173.6-60.6-64.5173.900115.4K308 Y350 S351 D535 L536 V567K308-E539 WeakPolarHBondContact CE-OE1 3.4Å; K308-E539 IonicContact NZ-OE1 2.67Å; K308-E539 PolarHBondContact NZ-OE1 3.24Å; Y350-E539 WeakPolarHBondContact CA-O 3.4Å; S351-E539 PolarHBondContact N-O 2.94Å; D535-E539 PolarHBondContact O-N 3.09Å; D535-E539 VanDerWaalsContact O-N 3.11Å; L536-E539 PolarHBondContact O-N 3.12Å; E539-V567 HydrophobicContact CB-CG1 4.38Å; E539-V567 HydrophobicContact CG-CG1 3.91Å
540E95.1Very high90.3Very high14 Ų1437.5 Ų37.57%0.06525%0.249CC..EExtended strand (participates in β ladder)trans-77.6138.1174.4-166.9-113.1-154.900112.3S348 I349 L536 S542 R553 L554S348-E540 PolarHBondContact OG-OE1 3.4Å; I349-E540 WeakPolarHBondContact O-CA 3.4Å; L536-E540 VanDerWaalsContact O-CB 3.28Å; L536-E540 WeakPolarHBondContact O-CB 3.47Å; L536-E540 PolarHBondContact O-N 3.19Å; E540-S542 VanDerWaalsContact CD-OG 3.24Å; E540-S542 WeakPolarHBondContact OE1-CB 3.2Å; E540-S542 PolarHBondContact OE1-OG 2.77Å; E540-S542 PolarHBondContact OE2-OG 3.48Å; E540-R553 IonicContact OE1-CZ 2.84Å; E540-R553 IonicContact OE1-NE 2.89Å; E540-R553 PolarHBondContact OE1-NE 2.89Å; E540-R553 IonicContact OE1-NH2 3.61Å; E540-R553 PolarHBondContact OE1-NH2 3.42Å; E540-R553 IonicContact OE2-NH2 3.49Å; E540-L554 HydrophobicContact CB-CD2 4.12Å; E540-L554 HydrophobicContact CG-CD2 4.46Å
541I94.5Very high90.2Very high19 Ų1939 Ų3910%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-120145.6158.464.1169.9000109.6L311 V316 L338 Y347 S348 I349L311-I541 HydrophobicContact CB-CG2 4.46Å; L311-I541 HydrophobicContact CD2-CD1 4.31Å; L311-I541 HydrophobicContact CD2-CG1 4.05Å; L311-I541 HydrophobicContact CG-CD1 4.26Å; L311-I541 HydrophobicContact CG-CG1 4.38Å; L311-I541 HydrophobicContact CG-CG2 4.26Å; L311-I541 WeakPolarHBondContact O-CG2 3.49Å; V316-I541 HydrophobicContact CG2-CD1 3.5Å; L338-I541 HydrophobicContact CD1-CD1 4.11Å; Y347-I541 HydrophobicContact CE2-CD1 4.29Å; Y347-I541 HydrophobicContact CE2-CG1 4.32Å; S348-I541 WeakPolarHBondContact CA-O 2.97Å; I349-I541 HydrophobicContact CD1-CD1 4.16Å; I349-I541 HydrophobicContact CD1-CG1 4.32Å; I349-I541 HydrophobicContact CG1-CD1 4.01Å; I349-I541 HydrophobicContact CG1-CG1 3.61Å; I349-I541 PolarHBondContact N-O 2.94Å; I349-I541 PolarHBondContact O-N 2.81Å
542S93Very high90.1Very high44 Ų4439.9 Ų39.931%0.30826%0.262SS..EExtended strand (participates in β ladder)trans-149150.5177.141.90000112.2Y347 E540 R553Y347-S542 CarbonylContact O-C 3.53Å; Y347-S542 WeakPolarHBondContact O-CA 3.21Å; Y347-S542 WeakPolarHBondContact O-CB 3.44Å; E540-S542 VanDerWaalsContact CD-OG 3.24Å; E540-S542 WeakPolarHBondContact OE1-CB 3.2Å; E540-S542 PolarHBondContact OE1-OG 2.77Å; E540-S542 PolarHBondContact OE2-OG 3.48Å; S542-R553 PolarHBondContact OG-NH2 3.39Å
543A91.6Very high89.9Confident36 Ų3641.4 Ų41.430%0.29827%0.268SS..EExtended strand (participates in β ladder)trans-138.8148.7173.800000110.2C346 Y347 C545C346-A543 VanDerWaalsContact CA-O 3.26Å; C346-A543 WeakPolarHBondContact CA-O 3.39Å; Y347-A543 HydrophobicContact CD1-CB 4.12Å; Y347-A543 HydrophobicContact CE1-CB 3.54Å; Y347-A543 HydrophobicContact CE2-CB 4.09Å; Y347-A543 PolarHBondContact N-O 3.12Å; Y347-A543 VanDerWaalsContact N-O 3.15Å; Y347-A543 PolarHBondContact O-N 3.05Å; A543-C545 PolarHBondContact O-N 2.8Å; A543-C545 PolarHBondContact O-SG 2.84Å
544G82.4Confident89.9Confident53 Ų5341.4 Ų41.455%0.54627%0.268SS..SBendtrans64.5-5.9171.100000118.1S345 S546S345-G544 WeakPolarHBondContact O-CA 3.32Å; G544-S546 PolarHBondContact O-N 3.31Å
545C80.6Confident90Very high19 Ų1938.4 Ų38.413%0.12826%0.255CS..  trans-81.446.9-174.9-51.40000113.7C346 Y347 A543 G547 S548C346-C545 HydrophobicContact CB-CB 4.22Å; C346-C545 WeakPolarHBondContact CB-SG 3.3Å; C346-C545 VanDerWaalsContact SG-CA 3.53Å; C346-C545 WeakPolarHBondContact SG-CB 3.37Å; C346-C545 CovalentContact SG-SG 2.06Å; C346-C545 PolarHBondContact SG-SG 3.01Å; Y347-C545 PolarHBondContact N-SG 3.29Å; Y347-C545 VanDerWaalsContact N-SG 3.43Å; Y347-C545 PolarHBondContact O-SG 2.85Å; A543-C545 PolarHBondContact O-N 2.8Å; A543-C545 PolarHBondContact O-SG 2.84Å; C545-G547 PolarHBondContact O-N 2.9Å; C545-G547 VanDerWaalsContact O-N 3.1Å; C545-S548 PolarHBondContact O-N 3.4Å; C545-S548 PolarHBondContact O-OG 3.47Å
546S69Low90Very high123 Ų12342 Ų4286%0.8627%0.268SS*.THydrogen-bonded Turntrans-59.9-19.4-171.6-53.40000115.5G544G544-S546 PolarHBondContact O-N 3.31Å
547G69.6Low90.1Very high90 Ų9043 Ų4393%0.92827%0.272SS*.THydrogen-bonded Turntrans-86.9-2.7175.600000114.9C545C545-G547 PolarHBondContact O-N 2.9Å; C545-G547 VanDerWaalsContact O-N 3.1Å
548S78.6Confident90.2Very high41 Ų4142.6 Ų42.629%0.28727%0.269SS..SBendtrans-117.7129.4-178.666.20000111C545 R553C545-S548 PolarHBondContact O-N 3.4Å; C545-S548 PolarHBondContact O-OG 3.47Å; S548-R553 PolarHBondContact O-NH1 3.31Å; S548-R553 WeakPolarHBondContact OG-CD 3.44Å; S548-R553 WeakPolarHBondContact OG-CG 3.28Å; S548-R553 PolarHBondContact OG-NH1 2.86Å
549D89.8Confident90.4Very high64 Ų6440.1 Ų40.134%0.34225%0.252SS..  trans-73.1151.8168.176.1-94000110.8I551 T552 R553 K605D549-I551 VanDerWaalsContact C-N 3.3Å; D549-I551 PolarHBondContact O-N 2.96Å; D549-I551 WeakPolarHBondContact OD2-CB 3.4Å; D549-I551 PolarHBondContact OD2-N 2.98Å; D549-T552 VanDerWaalsContact CG-OG1 3.27Å; D549-T552 PolarHBondContact O-N 3.22Å; D549-T552 WeakPolarHBondContact OD1-CB 3.49Å; D549-T552 PolarHBondContact OD1-OG1 2.6Å; D549-T552 PolarHBondContact OD2-N 2.94Å; D549-T552 PolarHBondContact OD2-OG1 3.49Å; D549-R553 PolarHBondContact O-N 3.1Å; D549-K605 IonicContact OD1-NZ 3.57Å; D549-K605 PolarHBondContact OD1-NZ 3.43Å; D549-K605 WeakPolarHBondContact OD2-CE 3.43Å; D549-K605 IonicContact OD2-NZ 2.91Å; D549-K605 PolarHBondContact OD2-NZ 3.16Å
550R93.8Very high90.5Very high114 Ų11439.8 Ų39.843%0.4325%0.252SS..Hα-helixtrans-56.6-43.2-176.1-173-179.2-179.2-153.14111.9S537 T552 R553 L554S537-R550 VanDerWaalsContact CB-NH2 3.33Å; S537-R550 PolarHBondContact O-NH2 3.34Å; R550-T552 PolarHBondContact O-N 2.84Å; R550-R553 WeakPolarHBondContact O-CB 3.43Å; R550-R553 PolarHBondContact O-N 3.43Å; R550-R553 VanDerWaalsContact O-N 3.15Å; R550-L554 HydrophobicContact CG-CD1 4.4Å; R550-L554 WeakPolarHBondContact O-CG 3.43Å; R550-L554 PolarHBondContact O-N 3.4Å
551I95.1Very high90.5Very high37 Ų3739.2 Ų39.219%0.1925%0.249CC..Hα-helixtrans-66.2-41.8-176-57.3-57.5000111.1D549 R553 L554 C555 L600 F603 K605D549-I551 VanDerWaalsContact C-N 3.3Å; D549-I551 PolarHBondContact O-N 2.96Å; D549-I551 WeakPolarHBondContact OD2-CB 3.4Å; D549-I551 PolarHBondContact OD2-N 2.98Å; I551-R553 VanDerWaalsContact C-N 3.3Å; I551-R553 PolarHBondContact O-N 3.02Å; I551-L554 HydrophobicContact CD1-CD1 4.25Å; I551-L554 PolarHBondContact O-N 3.35Å; I551-C555 PolarHBondContact O-N 3.1Å; I551-C555 PolarHBondContact O-SG 2.87Å; I551-L600 HydrophobicContact CD1-CD1 4.01Å; I551-F603 HydrophobicContact CG2-CD1 3.65Å; I551-F603 HydrophobicContact CG2-CD2 3.95Å; I551-F603 HydrophobicContact CG2-CE1 3.31Å; I551-F603 HydrophobicContact CG2-CE2 3.63Å; I551-F603 HydrophobicContact CG2-CG 3.97Å; I551-F603 HydrophobicContact CG2-CZ 3.3Å; I551-K605 HydrophobicContact CB-CD 4.18Å; I551-K605 HydrophobicContact CG2-CD 3.89Å
552T95.1Very high90.6Very high34 Ų3439.3 Ų39.321%0.20925%0.252CS..Hα-helixtrans-57.2-42172.3-63.50000111.6D549 R550 C555 R556 K605 V607D549-T552 VanDerWaalsContact CG-OG1 3.27Å; D549-T552 PolarHBondContact O-N 3.22Å; D549-T552 WeakPolarHBondContact OD1-CB 3.49Å; D549-T552 PolarHBondContact OD1-OG1 2.6Å; D549-T552 PolarHBondContact OD2-N 2.94Å; D549-T552 PolarHBondContact OD2-OG1 3.49Å; R550-T552 PolarHBondContact O-N 2.84Å; T552-C555 PolarHBondContact O-N 3.02Å; T552-R556 WeakPolarHBondContact O-CB 3.23Å; T552-R556 PolarHBondContact O-N 3.01Å; T552-K605 PolarHBondContact OG1-NZ 2.06Å; T552-V607 HydrophobicContact CG2-CG1 4.37Å; T552-V607 HydrophobicContact CG2-CG2 4.2Å
553R94.9Very high90.7Very high34 Ų3437.2 Ų37.213%0.12824%0.237CC..Hα-helixtrans-63-45.7174.8-66.3-161-60.7-80.64.6112.9E540 S542 S548 D549 R550 I551 C555 R556 H557E540-R553 IonicContact OE1-CZ 2.84Å; E540-R553 IonicContact OE1-NE 2.89Å; E540-R553 PolarHBondContact OE1-NE 2.89Å; E540-R553 IonicContact OE1-NH2 3.61Å; E540-R553 PolarHBondContact OE1-NH2 3.42Å; E540-R553 IonicContact OE2-NH2 3.49Å; S542-R553 PolarHBondContact OG-NH2 3.39Å; S548-R553 PolarHBondContact O-NH1 3.31Å; S548-R553 WeakPolarHBondContact OG-CD 3.44Å; S548-R553 WeakPolarHBondContact OG-CG 3.28Å; S548-R553 PolarHBondContact OG-NH1 2.86Å; D549-R553 PolarHBondContact O-N 3.1Å; R550-R553 WeakPolarHBondContact O-CB 3.43Å; R550-R553 PolarHBondContact O-N 3.43Å; R550-R553 VanDerWaalsContact O-N 3.15Å; I551-R553 VanDerWaalsContact C-N 3.3Å; I551-R553 PolarHBondContact O-N 3.02Å; R553-C555 VanDerWaalsContact C-N 3.32Å; R553-C555 PolarHBondContact O-N 2.89Å; R553-R556 PolarHBondContact O-N 3.3Å; R553-H557 PolarHBondContact O-CD2 3.39Å; R553-H557 VanDerWaalsContact O-CD2 3.31Å; R553-H557 PolarHBondContact O-N 2.93Å
554L97.1Very high91Very high0 Ų035.5 Ų35.50%022%0.223CC..Hα-helixtrans-60.6-43.2178.1-57.5174000111.1L533 L536 E540 R550 I551 H557 I558L533-L554 HydrophobicContact CD2-CB 3.91Å; L536-L554 HydrophobicContact CB-CD2 3.79Å; E540-L554 HydrophobicContact CB-CD2 4.12Å; E540-L554 HydrophobicContact CG-CD2 4.46Å; R550-L554 HydrophobicContact CG-CD1 4.4Å; R550-L554 WeakPolarHBondContact O-CG 3.43Å; R550-L554 PolarHBondContact O-N 3.4Å; I551-L554 HydrophobicContact CD1-CD1 4.25Å; I551-L554 PolarHBondContact O-N 3.35Å; L554-H557 PolarHBondContact O-N 3.48Å; L554-I558 WeakPolarHBondContact O-CG1 3.35Å; L554-I558 PolarHBondContact O-N 2.96Å
555C97.1Very high91.7Very high0 Ų033 Ų330%020%0.197CC..Hα-helixtrans-62.3-44.6174.4-65.70000112I551 T552 R553 H557 I558 L559 V607 C612I551-C555 PolarHBondContact O-N 3.1Å; I551-C555 PolarHBondContact O-SG 2.87Å; T552-C555 PolarHBondContact O-N 3.02Å; R553-C555 VanDerWaalsContact C-N 3.32Å; R553-C555 PolarHBondContact O-N 2.89Å; C555-H557 VanDerWaalsContact C-N 3.3Å; C555-H557 PolarHBondContact O-N 3.07Å; C555-I558 PolarHBondContact O-N 3.43Å; C555-L559 WeakPolarHBondContact O-CG 3Å; C555-L559 PolarHBondContact O-N 3Å; C555-V607 HydrophobicContact CB-CB 4.44Å; C555-V607 HydrophobicContact CB-CG1 4.36Å; C555-V607 HydrophobicContact CB-CG2 3.85Å; C555-C612 HydrophobicContact CB-CB 4.27Å
556R96Very high92.5Very high86 Ų8632.2 Ų32.233%0.32519%0.192SC..Hα-helixtrans-60.3-38.6177.2-167.8-176.3176.888.9-6111.7I377 T552 R553 L559 A560 V607 D608I377-R556 HydrophobicContact CD1-CG 3.65Å; T552-R556 WeakPolarHBondContact O-CB 3.23Å; T552-R556 PolarHBondContact O-N 3.01Å; R553-R556 PolarHBondContact O-N 3.3Å; R556-L559 PolarHBondContact O-N 2.96Å; R556-A560 VanDerWaalsContact O-CB 3.23Å; R556-A560 WeakPolarHBondContact O-CB 3.35Å; R556-A560 PolarHBondContact O-N 3.05Å; R556-V607 HydrophobicContact CB-CG1 4Å; R556-D608 IonicContact CZ-OD1 3.47Å; R556-D608 IonicContact CZ-OD2 2.94Å; R556-D608 IonicContact NH1-OD1 2.98Å; R556-D608 PolarHBondContact NH1-OD1 2.85Å; R556-D608 IonicContact NH1-OD2 3.75Å; R556-D608 PolarHBondContact NH1-OD2 2.91Å
557H96.9Very high93.7Very high21 Ų2126.5 Ų26.510%0.09715%0.151CC..Hα-helixtrans-61.9-45.3174.5-75.4-43.3000112.5S348 Y350 R553 L554 C555 S561S348-H557 PolarHBondContact O-CE1 3.03Å; S348-H557 VanDerWaalsContact O-CE1 3.29Å; S348-H557 PolarHBondContact OG-NE2 3.49Å; Y350-H557 HydrophobicContact CD1-CB 4Å; Y350-H557 AromaticContact CD1-CD2 3.8Å; Y350-H557 AromaticContact CD1-CE1 3.97Å; Y350-H557 AromaticContact CD1-CG 3.58Å; Y350-H557 AromaticContact CD1-ND1 3.71Å; Y350-H557 HydrophobicContact CE1-CB 3.71Å; Y350-H557 AromaticContact CE1-CG 3.61Å; Y350-H557 AromaticContact CE1-ND1 3.57Å; R553-H557 PolarHBondContact O-CD2 3.39Å; R553-H557 VanDerWaalsContact O-CD2 3.31Å; R553-H557 PolarHBondContact O-N 2.93Å; L554-H557 PolarHBondContact O-N 3.48Å; C555-H557 VanDerWaalsContact C-N 3.3Å; C555-H557 PolarHBondContact O-N 3.07Å; H557-S561 WeakPolarHBondContact O-CB 3.43Å; H557-S561 PolarHBondContact O-N 2.87Å; H557-S561 PolarHBondContact O-OG 3.44Å
558I97.6Very high94.9Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-58.6-52.3175.7-63.1166.3000109.6I532 L533 L536 L554 C555 A560 S561 S562 S563 F587 L594 L596I532-I558 HydrophobicContact CG1-CD1 4.03Å; I532-I558 HydrophobicContact CG1-CG1 4.14Å; I532-I558 HydrophobicContact CG2-CD1 3.86Å; L533-I558 HydrophobicContact CD2-CD1 3.94Å; L536-I558 HydrophobicContact CD1-CD1 3.9Å; L536-I558 HydrophobicContact CD1-CG1 3.44Å; L536-I558 VanDerWaalsContact CD1-CG1 3.44Å; L554-I558 WeakPolarHBondContact O-CG1 3.35Å; L554-I558 PolarHBondContact O-N 2.96Å; C555-I558 PolarHBondContact O-N 3.43Å; I558-A560 PolarHBondContact O-N 3.15Å; I558-S561 PolarHBondContact O-N 3.04Å; I558-S561 PolarHBondContact O-OG 2.88Å; I558-S562 PolarHBondContact O-N 3.41Å; I558-S563 WeakPolarHBondContact CG2-O 3.22Å; I558-F587 HydrophobicContact CG2-CZ 3.95Å; I558-L594 HydrophobicContact CG2-CD2 3.88Å; I558-L596 HydrophobicContact CD1-CD1 3.67Å; I558-L596 HydrophobicContact CD1-CD2 4.29Å
559L97.2Very high95.6Very high0 Ų024.8 Ų24.80%012%0.119CC..Hα-helixtrans-59.4-47.1-179.7-65.5175.2000113.2I377 C555 R556 S562 F587 T590 L594 V607 V610I377-L559 HydrophobicContact CD1-CB 3.95Å; I377-L559 HydrophobicContact CG1-CB 4.14Å; I377-L559 HydrophobicContact CG2-CB 4.15Å; C555-L559 WeakPolarHBondContact O-CG 3Å; C555-L559 PolarHBondContact O-N 3Å; R556-L559 PolarHBondContact O-N 2.96Å; L559-S562 PolarHBondContact O-N 3.11Å; L559-F587 HydrophobicContact CD2-CE2 4.3Å; L559-T590 HydrophobicContact CD2-CG2 4.47Å; L559-L594 HydrophobicContact CD2-CD2 3.93Å; L559-V607 HydrophobicContact CD1-CB 4.03Å; L559-V607 HydrophobicContact CD1-CG1 3.92Å; L559-V610 HydrophobicContact CD1-CB 3.89Å; L559-V610 HydrophobicContact CD1-CG1 4.43Å; L559-V610 HydrophobicContact CD1-CG2 3.99Å; L559-V610 HydrophobicContact CD2-CB 4.18Å; L559-V610 HydrophobicContact CD2-CG1 3.99Å; L559-V610 HydrophobicContact CD2-CG2 3.99Å
560A96.1Very high95.8Very high7 Ų722.7 Ų22.76%0.05811%0.109CC..Hα-helixtrans-69.6-37.1-177.400000112.2R208 I375 I377 R556 I558 S562R208-A560 PolarHBondContact NH1-O 2.74Å; R208-A560 PolarHBondContact NH2-O 3.2Å; I375-A560 HydrophobicContact CB-CB 3.93Å; I375-A560 HydrophobicContact CG2-CB 4.09Å; I375-A560 WeakPolarHBondContact CG2-O 3.48Å; I377-A560 HydrophobicContact CD1-CB 4.27Å; I377-A560 HydrophobicContact CG1-CB 3.7Å; R556-A560 VanDerWaalsContact O-CB 3.23Å; R556-A560 WeakPolarHBondContact O-CB 3.35Å; R556-A560 PolarHBondContact O-N 3.05Å; I558-A560 PolarHBondContact O-N 3.15Å; A560-S562 PolarHBondContact O-N 2.96Å
561S95.5Very high95.8Very high1 Ų119.6 Ų19.61%0.00710%0.101CC..Hα-helixtrans-63.5-23.4174.279.10000113.2R208 H557 I558 S563 P566R208-S561 PolarHBondContact NH2-O 2.98Å; H557-S561 WeakPolarHBondContact O-CB 3.43Å; H557-S561 PolarHBondContact O-N 2.87Å; H557-S561 PolarHBondContact O-OG 3.44Å; I558-S561 PolarHBondContact O-N 3.04Å; I558-S561 PolarHBondContact O-OG 2.88Å; S561-S563 PolarHBondContact O-N 3.03Å; S561-S563 PolarHBondContact OG-N 2.92Å; S561-S563 PolarHBondContact OG-O 2.89Å; S561-P566 WeakPolarHBondContact OG-CB 3.39Å; S561-P566 WeakPolarHBondContact OG-CG 3.48Å
562S95.2Very high95.5Very high21 Ų2124.2 Ų24.215%0.14713%0.127CC..THydrogen-bonded Turntrans57.330.1-174.1-49.60000113.3R208 I558 L559 A560 Q586 F587R208-S562 PolarHBondContact NH1-OG 3.28Å; I558-S562 PolarHBondContact O-N 3.41Å; L559-S562 PolarHBondContact O-N 3.11Å; A560-S562 PolarHBondContact O-N 2.96Å; S562-Q586 WeakPolarHBondContact O-CA 3.44Å; S562-F587 PolarHBondContact O-N 2.97Å
563S95.9Very high95.3Very high0 Ų024.6 Ų24.60%014%0.137CC..BIsolated β-bridgetrans-133.1145.2177.6-1780000110.8I558 S561 Y565 W581 A585 Q586I558-S563 WeakPolarHBondContact CG2-O 3.22Å; S561-S563 PolarHBondContact O-N 3.03Å; S561-S563 PolarHBondContact OG-N 2.92Å; S561-S563 PolarHBondContact OG-O 2.89Å; S563-Y565 PolarHBondContact O-N 3.14Å; S563-Y565 PolarHBondContact OG-N 3.26Å; S563-W581 PolarHBondContact OG-NE1 3.05Å; S563-A585 CarbonylContact C-O 3.56Å; S563-A585 VanDerWaalsContact CA-O 3.25Å; S563-A585 WeakPolarHBondContact CA-O 3.2Å; S563-A585 PolarHBondContact OG-O 3Å; S563-Q586 PolarHBondContact OG-NE2 2.82Å
564F97.3Very high95.3Very high1 Ų123.4 Ų23.40%0.00413%0.133CC..SBendtrans-68.1-23.4171.1-74.4-80.6000113.2Y486 P515 C516 L517 L527 T528 I532 A585 F587 L594Y486-F564 WeakPolarHBondContact OH-CB 3.13Å; P515-F564 HydrophobicContact CB-CB 3.79Å; P515-F564 HydrophobicContact CB-CD1 3.71Å; P515-F564 HydrophobicContact CB-CD2 3.44Å; P515-F564 VanDerWaalsContact CB-CD2 3.44Å; P515-F564 HydrophobicContact CB-CE1 4.1Å; P515-F564 HydrophobicContact CB-CE2 3.84Å; P515-F564 HydrophobicContact CB-CG 3.35Å; P515-F564 HydrophobicContact CB-CZ 4.15Å; P515-F564 HydrophobicContact CG-CB 3.79Å; P515-F564 HydrophobicContact CG-CD1 4.47Å; P515-F564 HydrophobicContact CG-CD2 3.39Å; P515-F564 HydrophobicContact CG-CE2 4.04Å; P515-F564 HydrophobicContact CG-CG 3.64Å; C516-F564 WeakPolarHBondContact O-CZ 3.44Å; L517-F564 HydrophobicContact CD2-CZ 4.21Å; L517-F564 HydrophobicContact CG-CE2 4.3Å; L517-F564 HydrophobicContact CG-CZ 4.06Å; L527-F564 WeakPolarHBondContact O-CE1 3.41Å; T528-F564 HydrophobicContact CG2-CD1 4.1Å; I532-F564 WeakPolarHBondContact CG1-O 3.48Å; F564-A585 PolarHBondContact N-O 3.26Å; F564-F587 HydrophobicContact CB-CE1 4.45Å; F564-F587 AromaticContact CD1-CE1 3.71Å; F564-F587 HydrophobicContact CD1-CE1 3.71Å; F564-F587 AromaticContact CD2-CD1 3.74Å; F564-F587 HydrophobicContact CD2-CD1 3.74Å; F564-F587 AromaticContact CD2-CE1 3.54Å; F564-F587 HydrophobicContact CD2-CE1 3.54Å; F564-F587 HydrophobicContact CE1-CD1 4.44Å; F564-F587 AromaticContact CE1-CE1 3.72Å; F564-F587 HydrophobicContact CE1-CE1 3.72Å; F564-F587 AromaticContact CE2-CD1 3.53Å; F564-F587 HydrophobicContact CE2-CD1 3.53Å; F564-F587 AromaticContact CE2-CE1 3.56Å; F564-F587 HydrophobicContact CE2-CE1 3.56Å; F564-F587 HydrophobicContact CG-CD1 4.3Å; F564-F587 AromaticContact CG-CE1 3.62Å; F564-F587 HydrophobicContact CG-CE1 3.62Å; F564-F587 AromaticContact CZ-CD1 3.92Å; F564-F587 HydrophobicContact CZ-CD1 3.92Å; F564-F587 AromaticContact CZ-CE1 3.65Å; F564-F587 HydrophobicContact CZ-CE1 3.65Å; F564-L594 HydrophobicContact CD1-CD1 4.36Å; F564-L594 HydrophobicContact CE1-CD1 3.9Å
565Y97.7Very high95.2Very high1 Ų126.1 Ų26.10%0.00415%0.151CC..  trans-142.182.8179.4-161.1-84.3000111.5V530 I532 D535 S563 V567 P570 D571 L574 L576 W581V530-Y565 HydrophobicContact CG1-CD2 3.66Å; V530-Y565 HydrophobicContact CG1-CE2 3.59Å; I532-Y565 HydrophobicContact CB-CD2 4.12Å; I532-Y565 HydrophobicContact CB-CE2 4.43Å; I532-Y565 HydrophobicContact CD1-CD2 3.6Å; I532-Y565 HydrophobicContact CD1-CE2 3.74Å; I532-Y565 HydrophobicContact CD1-CG 4.06Å; I532-Y565 HydrophobicContact CG1-CD2 4.25Å; D535-Y565 HydrophobicContact CB-CE2 4.46Å; D535-Y565 WeakPolarHBondContact OD2-CE2 3.2Å; D535-Y565 PolarHBondContact OD2-OH 3.07Å; S563-Y565 PolarHBondContact O-N 3.14Å; S563-Y565 PolarHBondContact OG-N 3.26Å; Y565-V567 HydrophobicContact CE1-CB 3.87Å; Y565-V567 WeakPolarHBondContact CE1-O 3.32Å; Y565-P570 HydrophobicContact CE1-CB 3.79Å; Y565-D571 PolarHBondContact OH-N 2.81Å; Y565-D571 VanDerWaalsContact OH-N 3.08Å; Y565-L574 HydrophobicContact CD1-CD2 4.28Å; Y565-L574 HydrophobicContact CD2-CD2 3.76Å; Y565-L574 HydrophobicContact CE1-CD2 3.86Å; Y565-L574 HydrophobicContact CE2-CD2 3.3Å; Y565-L574 HydrophobicContact CG-CD2 4.24Å; Y565-L576 HydrophobicContact CD1-CD2 4.48Å; Y565-W581 PolarHBondContact O-NE1 3.32Å
566P96.6Very high95Very high1 Ų127 Ų271%0.00616%0.155CC..  trans-84.8-5.5-177.932.1-38.5000116W201 Y350 L536 S561W201-P566 HydrophobicContact CH2-CB 3.98Å; W201-P566 HydrophobicContact CZ2-CB 3.99Å; Y350-P566 HydrophobicContact CE2-CB 4.01Å; Y350-P566 HydrophobicContact CE2-CG 4.34Å; L536-P566 HydrophobicContact CD1-CG 4.45Å; L536-P566 HydrophobicContact CD2-CG 4.46Å; S561-P566 WeakPolarHBondContact OG-CB 3.39Å; S561-P566 WeakPolarHBondContact OG-CG 3.48Å
567V95.4Very high94.9Very high3 Ų323.5 Ų23.52%0.01814%0.143CC..  trans-72.6132-176.1175.90000110.6I532 L536 E539 Y565 P569I532-V567 HydrophobicContact CD1-CB 4.46Å; I532-V567 HydrophobicContact CD1-CG2 3.77Å; L536-V567 HydrophobicContact CB-CG2 4.34Å; L536-V567 HydrophobicContact CD2-CG2 3.37Å; L536-V567 HydrophobicContact CG-CG2 3.51Å; E539-V567 HydrophobicContact CB-CG1 4.38Å; E539-V567 HydrophobicContact CG-CG1 3.91Å; Y565-V567 HydrophobicContact CE1-CB 3.87Å; Y565-V567 WeakPolarHBondContact CE1-O 3.32Å; V567-P569 WeakPolarHBondContact CG1-O 3.42Å
568H93.8Very high94.7Very high41 Ų4124 Ų2419%0.1914%0.144CC..SBendtrans-140.3131.9170.8172.9-62.6000112.1I198 R279 S351 G352 Y578I198-H568 VanDerWaalsContact CD1-CD2 3.48Å; I198-H568 WeakPolarHBondContact CD1-CD2 3.21Å; I198-H568 WeakPolarHBondContact CD1-NE2 3.32Å; R279-H568 PolarHBondContact NH1-CE1 2.93Å; R279-H568 PolarHBondContact NH1-ND1 2.88Å; S351-H568 CarbonylContact C-O 3.47Å; S351-H568 PolarHBondContact O-N 2.8Å; S351-H568 PolarHBondContact OG-O 2.93Å; G352-H568 WeakPolarHBondContact CA-O 3.35Å; G352-H568 PolarHBondContact N-O 3.05Å; G352-H568 VanDerWaalsContact N-O 3.14Å; H568-Y578 AromaticContact CD2-CE1 3.95Å; H568-Y578 PolarHBondContact CD2-OH 2.97Å
569P93.4Very high94.4Very high54 Ų5425.3 Ų25.335%0.35115%0.153SC..SBendcis-66.6154-4.3-20.233.3000111K308 V567K308-P569 WeakPolarHBondContact CE-O 3.41Å; K308-P569 PolarHBondContact NZ-O 3.47Å; V567-P569 WeakPolarHBondContact CG1-O 3.42Å
570P93.6Very high94.2Very high20 Ų2025.9 Ų25.913%0.1316%0.156CC..PPolyproline II helixtrans-56.5167.2174.324.9-34.7000112.4K308 Y565 L574 L576 Y578K308-P570 PolarHBondContact NZ-O 2.92Å; Y565-P570 HydrophobicContact CE1-CB 3.79Å; P570-L574 HydrophobicContact CB-CD2 4.41Å; P570-L576 HydrophobicContact CB-CB 4.33Å; P570-L576 HydrophobicContact CB-CD2 4.24Å; P570-L576 HydrophobicContact CG-CB 4.07Å; P570-L576 HydrophobicContact CG-CD2 4.11Å; P570-Y578 WeakPolarHBondContact CD-OH 3.13Å
571D93.7Very high94.1Very high50 Ų5026 Ų2627%0.26716%0.155SC..PPolyproline II helixtrans-59.5142167.3-175.7103.5000109.9K534 D535 Y565 G573 L574K534-D571 IonicContact NZ-OD1 3.72Å; K534-D571 PolarHBondContact NZ-OD1 2.89Å; D535-D571 WeakPolarHBondContact OD2-CB 3.49Å; Y565-D571 PolarHBondContact OH-N 2.81Å; Y565-D571 VanDerWaalsContact OH-N 3.08Å; D571-G573 PolarHBondContact O-N 2.87Å; D571-G573 PolarHBondContact OD2-N 3.14Å; D571-L574 PolarHBondContact O-N 3.37Å
572D90.1Very high94Very high134 Ų13428.4 Ų28.472%0.71717%0.171SC*.THydrogen-bonded Turntrans-60.2-21.3-174.6-61.6-17.1000112.4
573G91Very high93.7Very high41 Ų4133.2 Ų33.242%0.42319%0.191SC..THydrogen-bonded Turntrans-82.2-1017500000115.5W477 D571 P575W477-G573 WeakPolarHBondContact CH2-O 3.4Å; W477-G573 VanDerWaalsContact CZ3-O 3.23Å; W477-G573 WeakPolarHBondContact CZ3-O 3.38Å; D571-G573 PolarHBondContact O-N 2.87Å; D571-G573 PolarHBondContact OD2-N 3.14Å; G573-P575 WeakPolarHBondContact O-CD 3.46Å
574L94.4Very high93.6Very high10 Ų1033.9 Ų33.95%0.05219%0.194CC..  trans-106.9107.3-174.2-179.569.2000112.4W477 Y486 V530 Y565 P570 D571 L576W477-L574 HydrophobicContact CD2-CD1 3.89Å; W477-L574 HydrophobicContact CG-CD1 4.02Å; W477-L574 HydrophobicContact CZ2-CD1 4.09Å; Y486-L574 HydrophobicContact CG-CD1 4.44Å; V530-L574 HydrophobicContact CG1-CD1 4.2Å; V530-L574 HydrophobicContact CG1-CD2 3.87Å; V530-L574 HydrophobicContact CG2-CD1 4.02Å; Y565-L574 HydrophobicContact CD1-CD2 4.28Å; Y565-L574 HydrophobicContact CD2-CD2 3.76Å; Y565-L574 HydrophobicContact CE1-CD2 3.86Å; Y565-L574 HydrophobicContact CE2-CD2 3.3Å; Y565-L574 HydrophobicContact CG-CD2 4.24Å; P570-L574 HydrophobicContact CB-CD2 4.41Å; D571-L574 PolarHBondContact O-N 3.37Å; L574-L576 PolarHBondContact O-N 3.33Å; L574-L576 VanDerWaalsContact O-N 3.16Å
575P94Very high93.5Very high57 Ų5733.8 Ų33.837%0.3719%0.194SC..  trans-71.1110170.2-16.232.9000109.9P484 V485 Y486 G573P484-P575 WeakPolarHBondContact O-CG 3.44Å; V485-P575 HydrophobicContact CB-CB 4.47Å; V485-P575 HydrophobicContact CG1-CB 4.27Å; V485-P575 WeakPolarHBondContact CG1-O 3.39Å; V485-P575 HydrophobicContact CG2-CB 4.21Å; Y486-P575 PolarHBondContact N-O 3.19Å; G573-P575 WeakPolarHBondContact O-CD 3.46Å
576L93.4Very high93.3Very high19 Ų1936 Ų3610%0.09920%0.204CC..BIsolated β-bridgetrans-106.4123.2-178.2-178.765.9000111.1Y486 Y565 P570 L574 Y578 W581Y486-L576 HydrophobicContact CD1-CD1 3.74Å; Y486-L576 HydrophobicContact CE1-CD1 4.36Å; Y565-L576 HydrophobicContact CD1-CD2 4.48Å; P570-L576 HydrophobicContact CB-CB 4.33Å; P570-L576 HydrophobicContact CB-CD2 4.24Å; P570-L576 HydrophobicContact CG-CB 4.07Å; P570-L576 HydrophobicContact CG-CD2 4.11Å; L574-L576 PolarHBondContact O-N 3.33Å; L574-L576 VanDerWaalsContact O-N 3.16Å; L576-Y578 HydrophobicContact CD2-CD1 4.43Å; L576-Y578 HydrophobicContact CD2-CE1 3.94Å; L576-W581 HydrophobicContact CD1-CB 3.92Å; L576-W581 HydrophobicContact CD1-CG 4.09Å
577D93.8Very high93.1Very high11 Ų1137 Ų376%0.05921%0.208CC..  trans-89.9112.4169.9-178-48.1000109.9Q189 V485 Y486 P579 L580 W581Q189-D577 VanDerWaalsContact NE2-CA 3.28Å; Q189-D577 PolarHBondContact NE2-OD1 3.33Å; Q189-D577 PolarHBondContact NE2-OD2 2.98Å; Q189-D577 VanDerWaalsContact NE2-OD2 3.09Å; V485-D577 HydrophobicContact CG1-CB 3.78Å; Y486-D577 PolarHBondContact O-N 2.87Å; D577-P579 VanDerWaalsContact OD1-CD 3.23Å; D577-P579 WeakPolarHBondContact OD1-CD 3.36Å; D577-L580 HydrophobicContact CB-CB 4.01Å; D577-L580 HydrophobicContact CB-CD1 4.02Å; D577-L580 HydrophobicContact CB-CG 4.21Å; D577-L580 VanDerWaalsContact CG-CG 3.49Å; D577-L580 PolarHBondContact O-N 3Å; D577-L580 WeakPolarHBondContact OD1-CB 3.4Å; D577-L580 WeakPolarHBondContact OD1-CG 3.48Å; D577-L580 PolarHBondContact OD1-N 2.86Å; D577-W581 WeakPolarHBondContact O-CB 3.34Å; D577-W581 PolarHBondContact O-N 3.33Å
578Y93.3Very high93Very high32 Ų3240.7 Ų40.713%0.12523%0.234CC..Hα-helixtrans-67.1-48.2-176.3-72-87.2000114.8N194 I198 H568 P570 L576 L580 W581 S582N194-Y578 HydrophobicContact CB-CD2 3.93Å; N194-Y578 HydrophobicContact CB-CG 3.96Å; N194-Y578 WeakPolarHBondContact ND2-CD2 3.22Å; I198-Y578 HydrophobicContact CD1-CD1 4.01Å; I198-Y578 HydrophobicContact CD1-CE1 3.68Å; I198-Y578 HydrophobicContact CG1-CD1 4.01Å; I198-Y578 HydrophobicContact CG1-CE1 4Å; H568-Y578 AromaticContact CD2-CE1 3.95Å; H568-Y578 PolarHBondContact CD2-OH 2.97Å; P570-Y578 WeakPolarHBondContact CD-OH 3.13Å; L576-Y578 HydrophobicContact CD2-CD1 4.43Å; L576-Y578 HydrophobicContact CD2-CE1 3.94Å; Y578-L580 VanDerWaalsContact C-N 3.33Å; Y578-L580 PolarHBondContact O-N 2.84Å; Y578-W581 PolarHBondContact O-N 3.09Å; Y578-S582 PolarHBondContact O-N 2.7Å
579P91.9Very high93Very high27 Ų2741.2 Ų41.218%0.17524%0.24CC..Hα-helixtrans-51.6-46.4170.8-30.935.2000113.9I197 D577 S582 Q583I197-P579 HydrophobicContact CD1-CB 4.25Å; I197-P579 HydrophobicContact CD1-CG 3.82Å; D577-P579 VanDerWaalsContact OD1-CD 3.23Å; D577-P579 WeakPolarHBondContact OD1-CD 3.36Å; P579-S582 PolarHBondContact O-N 2.89Å; P579-Q583 WeakPolarHBondContact O-CG 3.23Å; P579-Q583 PolarHBondContact O-N 3.06Å
580L92Very high93.1Very high13 Ų1339.1 Ų39.17%0.06823%0.226CC..Hα-helixtrans-72-38.2178.4-64.2179.3000112.1R185 P487 D577 Y578 S582 Q583 Y584R185-L580 HydrophobicContact CG-CD1 4.23Å; P487-L580 HydrophobicContact CG-CB 4.38Å; D577-L580 HydrophobicContact CB-CB 4.01Å; D577-L580 HydrophobicContact CB-CD1 4.02Å; D577-L580 HydrophobicContact CB-CG 4.21Å; D577-L580 VanDerWaalsContact CG-CG 3.49Å; D577-L580 PolarHBondContact O-N 3Å; D577-L580 WeakPolarHBondContact OD1-CB 3.4Å; D577-L580 WeakPolarHBondContact OD1-CG 3.48Å; D577-L580 PolarHBondContact OD1-N 2.86Å; Y578-L580 VanDerWaalsContact C-N 3.33Å; Y578-L580 PolarHBondContact O-N 2.84Å; L580-S582 VanDerWaalsContact C-N 3.29Å; L580-S582 PolarHBondContact O-N 3.24Å; L580-Q583 PolarHBondContact O-N 2.7Å; L580-Q583 VanDerWaalsContact O-N 3.1Å; L580-Y584 HydrophobicContact CB-CD2 4.22Å; L580-Y584 HydrophobicContact CD2-CD2 3.93Å; L580-Y584 HydrophobicContact CD2-CE2 3.71Å; L580-Y584 WeakPolarHBondContact O-CB 3.4Å; L580-Y584 WeakPolarHBondContact O-CD2 3.3Å; L580-Y584 PolarHBondContact O-N 3.11Å
581W94Very high93.3Very high10 Ų1038.1 Ų38.14%0.03822%0.22CC..Hα-helixtrans-58.6-40.1173.7168.488.6000112.2I197 W201 S563 Y565 L576 D577 Y578 Q583 A585 Q586I197-W581 HydrophobicContact CG2-CE3 3.87Å; I197-W581 HydrophobicContact CG2-CZ3 3.75Å; W201-W581 HydrophobicContact CB-CH2 3.95Å; W201-W581 HydrophobicContact CB-CZ3 4.21Å; W201-W581 AromaticContact CD1-CH2 3.97Å; W201-W581 AromaticContact CD2-CH2 3.59Å; W201-W581 HydrophobicContact CD2-CH2 3.59Å; W201-W581 HydrophobicContact CD2-CZ2 4.16Å; W201-W581 AromaticContact CE2-CH2 3.97Å; W201-W581 AromaticContact CE3-CH2 3.96Å; W201-W581 HydrophobicContact CE3-CH2 3.96Å; W201-W581 AromaticContact CG-CH2 3.58Å; W201-W581 HydrophobicContact CG-CH2 3.58Å; W201-W581 HydrophobicContact CG-CZ2 4.42Å; W201-W581 HydrophobicContact CG-CZ3 4.29Å; W201-W581 HydrophobicContact CZ2-CZ2 4.38Å; S563-W581 PolarHBondContact OG-NE1 3.05Å; Y565-W581 PolarHBondContact O-NE1 3.32Å; L576-W581 HydrophobicContact CD1-CB 3.92Å; L576-W581 HydrophobicContact CD1-CG 4.09Å; D577-W581 WeakPolarHBondContact O-CB 3.34Å; D577-W581 PolarHBondContact O-N 3.33Å; Y578-W581 PolarHBondContact O-N 3.09Å; W581-Q583 PolarHBondContact O-N 3.13Å; W581-A585 HydrophobicContact CB-CB 4.35Å; W581-A585 HydrophobicContact CG-CB 4.06Å; W581-A585 WeakPolarHBondContact O-CA 3.24Å; W581-A585 WeakPolarHBondContact O-CB 3.5Å; W581-A585 PolarHBondContact O-N 2.91Å; W581-A585 VanDerWaalsContact O-N 3.09Å; W581-Q586 PolarHBondContact O-NE2 3.49Å
582S92.5Very high93.4Very high51 Ų5135.8 Ų35.836%0.35721%0.207SC..Hα-helixtrans-67-25.4176.6-167.90000113.5Y578 P579 L580Y578-S582 PolarHBondContact O-N 2.7Å; P579-S582 PolarHBondContact O-N 2.89Å; L580-S582 VanDerWaalsContact C-N 3.29Å; L580-S582 PolarHBondContact O-N 3.24Å
583Q90.7Very high93.8Very high121 Ų12129.4 Ų29.457%0.56517%0.174SC*.Hα-helixtrans-97-39.9-176.4-68.6174.225.200112.8P579 L580 W581P579-Q583 WeakPolarHBondContact O-CG 3.23Å; P579-Q583 PolarHBondContact O-N 3.06Å; L580-Q583 PolarHBondContact O-N 2.7Å; L580-Q583 VanDerWaalsContact O-N 3.1Å; W581-Q583 PolarHBondContact O-N 3.13Å
584Y93Very high94.1Very high14 Ų1427.5 Ų27.56%0.05515%0.153CC..Hα-helixtrans-115.8-21.4-167.4-60.3-77.3000114T178 T181 H182 L580T178-Y584 HydrophobicContact CG2-CD1 3.91Å; T181-Y584 VanDerWaalsContact C-OH 3.32Å; T181-Y584 PolarHBondContact O-OH 3.16Å; H182-Y584 AromaticContact CE1-CE1 3.86Å; H182-Y584 AromaticContact ND1-CE1 3.8Å; L580-Y584 HydrophobicContact CB-CD2 4.22Å; L580-Y584 HydrophobicContact CD2-CD2 3.93Å; L580-Y584 HydrophobicContact CD2-CE2 3.71Å; L580-Y584 WeakPolarHBondContact O-CB 3.4Å; L580-Y584 WeakPolarHBondContact O-CD2 3.3Å; L580-Y584 PolarHBondContact O-N 3.11Å
585A94.3Very high94.3Very high0 Ų027 Ų270%015%0.151CC..SBendtrans-9712.6179.900000114.4Y486 P487 P515 S563 F564 W581Y486-A585 HydrophobicContact CE1-CB 4.27Å; P487-A585 HydrophobicContact CG-CB 3.97Å; P515-A585 HydrophobicContact CG-CB 4Å; S563-A585 CarbonylContact C-O 3.56Å; S563-A585 VanDerWaalsContact CA-O 3.25Å; S563-A585 WeakPolarHBondContact CA-O 3.2Å; S563-A585 PolarHBondContact OG-O 3Å; F564-A585 PolarHBondContact N-O 3.26Å; W581-A585 HydrophobicContact CB-CB 4.35Å; W581-A585 HydrophobicContact CG-CB 4.06Å; W581-A585 WeakPolarHBondContact O-CA 3.24Å; W581-A585 WeakPolarHBondContact O-CB 3.5Å; W581-A585 PolarHBondContact O-N 2.91Å; W581-A585 VanDerWaalsContact O-N 3.09Å
586Q93.4Very high94.5Very high47 Ų4724.3 Ų24.322%0.2213%0.134CC..BIsolated β-bridgetrans-100.9149.8172.9-52.1-57.4-51.900110.4W201 S562 S563 W581 S588W201-Q586 VanDerWaalsContact CD1-OE1 3.32Å; W201-Q586 VanDerWaalsContact NE1-OE1 3.11Å; S562-Q586 WeakPolarHBondContact O-CA 3.44Å; S563-Q586 PolarHBondContact OG-NE2 2.82Å; W581-Q586 PolarHBondContact O-NE2 3.49Å; Q586-S588 PolarHBondContact O-N 2.84Å
587F93.7Very high94.7Very high22 Ų2223.5 Ų23.510%0.09613%0.129CC..  trans-77.8118.3175.2-62.4-14.9000110.3I558 L559 S562 F564 V589 L594I558-F587 HydrophobicContact CG2-CZ 3.95Å; L559-F587 HydrophobicContact CD2-CE2 4.3Å; S562-F587 PolarHBondContact O-N 2.97Å; F564-F587 HydrophobicContact CB-CE1 4.45Å; F564-F587 AromaticContact CD1-CE1 3.71Å; F564-F587 HydrophobicContact CD1-CE1 3.71Å; F564-F587 AromaticContact CD2-CD1 3.74Å; F564-F587 HydrophobicContact CD2-CD1 3.74Å; F564-F587 AromaticContact CD2-CE1 3.54Å; F564-F587 HydrophobicContact CD2-CE1 3.54Å; F564-F587 HydrophobicContact CE1-CD1 4.44Å; F564-F587 AromaticContact CE1-CE1 3.72Å; F564-F587 HydrophobicContact CE1-CE1 3.72Å; F564-F587 AromaticContact CE2-CD1 3.53Å; F564-F587 HydrophobicContact CE2-CD1 3.53Å; F564-F587 AromaticContact CE2-CE1 3.56Å; F564-F587 HydrophobicContact CE2-CE1 3.56Å; F564-F587 HydrophobicContact CG-CD1 4.3Å; F564-F587 AromaticContact CG-CE1 3.62Å; F564-F587 HydrophobicContact CG-CE1 3.62Å; F564-F587 AromaticContact CZ-CD1 3.92Å; F564-F587 HydrophobicContact CZ-CD1 3.92Å; F564-F587 AromaticContact CZ-CE1 3.65Å; F564-F587 HydrophobicContact CZ-CE1 3.65Å; F587-V589 VanDerWaalsContact C-N 3.3Å; F587-L594 HydrophobicContact CZ-CD1 4.32Å
588S92.9Very high94.9Very high80 Ų8023 Ų2356%0.55913%0.126SC*.SBendtrans-70.4-30.9167.655.30000111.8L517 Q586L517-S588 WeakPolarHBondContact CD1-OG 3.48Å; Q586-S588 PolarHBondContact O-N 2.84Å
589V94.3Very high94.9Very high53 Ų5327.1 Ų27.132%0.32115%0.145SC..SBendtrans-144150.6170.4-66.90000109.3L177 P381 L517 V524 F587L177-V589 HydrophobicContact CD1-CG2 4.04Å; P381-V589 HydrophobicContact CG-CB 4.19Å; P381-V589 HydrophobicContact CG-CG1 4.49Å; P381-V589 HydrophobicContact CG-CG2 4.33Å; L517-V589 HydrophobicContact CD1-CG2 4.45Å; V524-V589 HydrophobicContact CG1-CG2 4.09Å; F587-V589 VanDerWaalsContact C-N 3.3Å
590T95.9Very high95Very high9 Ų928 Ų286%0.05515%0.148CC..  trans-63.1124.8169.2-57.50000108.9S378 P380 P381 L559 V610S378-T590 WeakPolarHBondContact CB-OG1 3.48Å; S378-T590 VanDerWaalsContact O-CB 3.29Å; S378-T590 WeakPolarHBondContact O-CB 3.46Å; S378-T590 WeakPolarHBondContact O-CG2 3.36Å; S378-T590 PolarHBondContact O-OG1 2.69Å; P380-T590 HydrophobicContact CG-CG2 4.19Å; P381-T590 WeakPolarHBondContact CD-O 3.41Å; L559-T590 HydrophobicContact CD2-CG2 4.47Å; T590-V610 HydrophobicContact CG2-CG2 3.65Å
591P96.9Very high95.2Very high0 Ų036.8 Ų36.80%018%0.18CC..  trans-70.4155.4178.729-34.1000111.4L517 V524 C593 L594 V610L517-P591 HydrophobicContact CD2-CB 3.84Å; L517-P591 HydrophobicContact CD2-CG 4.26Å; V524-P591 HydrophobicContact CG1-CB 4.32Å; P591-C593 WeakPolarHBondContact CB-O 3.41Å; P591-L594 HydrophobicContact CG-CB 4.28Å; P591-L594 HydrophobicContact CG-CD1 4.16Å; P591-V610 WeakPolarHBondContact O-CG1 3.36Å; P591-V610 WeakPolarHBondContact O-CG2 3.45Å
592H96.5Very high95.3Very high0 Ų037.1 Ų37.10%018%0.182CC..SBendtrans-74.1-35.4169.6-66.4106.7000111.5P380 P381 I383 E522 V524 L611 I664P380-H592 VanDerWaalsContact CB-CD2 3.49Å; P380-H592 WeakPolarHBondContact CB-CD2 3.22Å; P381-H592 PolarHBondContact O-NE2 3.23Å; I383-H592 VanDerWaalsContact CG1-NE2 3.27Å; I383-H592 WeakPolarHBondContact CG1-NE2 3.28Å; E522-H592 PolarHBondContact O-CE1 3.15Å; V524-H592 PolarHBondContact N-ND1 3.37Å; V524-H592 WeakPolarHBondContact O-CA 3.39Å; V524-H592 WeakPolarHBondContact O-CB 3.47Å; V524-H592 PolarHBondContact O-N 3.35Å; H592-L611 PolarHBondContact O-N 2.8Å; H592-I664 HydrophobicContact CB-CB 4.01Å; H592-I664 HydrophobicContact CB-CD1 4.16Å; H592-I664 HydrophobicContact CB-CG2 4.08Å; H592-I664 WeakPolarHBondContact O-CG2 3.13Å
593C97.3Very high95.4Very high1 Ų135.5 Ų35.51%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-135.1136.3177.3178.10000110.1V524 F525 G526 P591 L611 I613V524-C593 PolarHBondContact O-N 2.67Å; V524-C593 VanDerWaalsContact O-N 3.12Å; F525-C593 CarbonylContact C-O 3.17Å; F525-C593 WeakPolarHBondContact CA-O 3.41Å; F525-C593 HydrophobicContact CD1-CB 3.63Å; F525-C593 HydrophobicContact CE1-CB 3.76Å; G526-C593 PolarHBondContact N-O 3.02Å; P591-C593 WeakPolarHBondContact CB-O 3.41Å; C593-L611 CarbonylContact C-O 3.59Å; C593-L611 VanDerWaalsContact CA-O 3.28Å; C593-L611 WeakPolarHBondContact CA-O 3.28Å; C593-L611 HydrophobicContact CB-CB 4.38Å; C593-L611 PolarHBondContact SG-O 3.06Å; C593-I613 WeakPolarHBondContact SG-CD1 3.5Å
594L98Very high95.7Very high0 Ų030.7 Ų30.70%015%0.148CC..EExtended strand (participates in β ladder)trans-122111.4-176.3-176.263.6000109.7G526 I558 L559 F564 F587 P591 L596 V610 L611 C612 I613G526-L594 WeakPolarHBondContact O-CA 3.43Å; I558-L594 HydrophobicContact CG2-CD2 3.88Å; L559-L594 HydrophobicContact CD2-CD2 3.93Å; F564-L594 HydrophobicContact CD1-CD1 4.36Å; F564-L594 HydrophobicContact CE1-CD1 3.9Å; F587-L594 HydrophobicContact CZ-CD1 4.32Å; P591-L594 HydrophobicContact CG-CB 4.28Å; P591-L594 HydrophobicContact CG-CD1 4.16Å; L594-L596 HydrophobicContact CD1-CD2 4.17Å; L594-L596 HydrophobicContact CD2-CD1 3.95Å; L594-L596 HydrophobicContact CD2-CD2 4.12Å; L594-L596 HydrophobicContact CD2-CG 4.21Å; L594-L596 HydrophobicContact CG-CD1 4.15Å; L594-L596 HydrophobicContact CG-CD2 3.83Å; L594-L596 HydrophobicContact CG-CG 3.87Å; L594-V610 HydrophobicContact CB-CG1 4.13Å; L594-L611 PolarHBondContact N-O 2.87Å; L594-C612 WeakPolarHBondContact O-CA 3.15Å; L594-I613 PolarHBondContact O-N 3.15Å
595I98.5Very high95.8Very high0 Ų032.6 Ų32.60%016%0.156CC..EExtended strand (participates in β ladder)trans-88.1116.8179.7-50.5-54.2000108.8V396 L430 G526 L527 P597 I613 P615 I630V396-I595 HydrophobicContact CG1-CG1 4.46Å; V396-I595 HydrophobicContact CG1-CG2 3.81Å; L430-I595 HydrophobicContact CD1-CG2 4.46Å; G526-I595 PolarHBondContact O-N 3.23Å; L527-I595 HydrophobicContact CD2-CB 4.08Å; L527-I595 HydrophobicContact CD2-CG1 3.87Å; L527-I595 HydrophobicContact CD2-CG2 4.46Å; L527-I595 HydrophobicContact CG-CB 4.19Å; L527-I595 HydrophobicContact CG-CG1 4.08Å; I595-P597 HydrophobicContact CG2-CG 4.24Å; I595-I613 HydrophobicContact CD1-CB 4.02Å; I595-I613 HydrophobicContact CD1-CD1 4.02Å; I595-I613 HydrophobicContact CD1-CG1 4.45Å; I595-P615 HydrophobicContact CG2-CG 4.18Å; I595-I630 HydrophobicContact CD1-CD1 3.93Å
596L98.4Very high95.8Very high1 Ų136 Ų361%0.00518%0.175CC..  trans-129.177.8-176-58.5177000110.3T528 I532 L533 I558 L594 S598 I613 N614T528-L596 HydrophobicContact CG2-CD2 3.73Å; I532-L596 HydrophobicContact CG2-CD2 3.95Å; L533-L596 HydrophobicContact CD1-CB 3.55Å; L533-L596 HydrophobicContact CD1-CD1 4Å; L533-L596 HydrophobicContact CD1-CG 4.43Å; L533-L596 HydrophobicContact CD2-CD1 3.94Å; L533-L596 HydrophobicContact CG-CB 4.06Å; L533-L596 HydrophobicContact CG-CD1 4Å; I558-L596 HydrophobicContact CD1-CD1 3.67Å; I558-L596 HydrophobicContact CD1-CD2 4.29Å; L594-L596 HydrophobicContact CD1-CD2 4.17Å; L594-L596 HydrophobicContact CD2-CD1 3.95Å; L594-L596 HydrophobicContact CD2-CD2 4.12Å; L594-L596 HydrophobicContact CD2-CG 4.21Å; L594-L596 HydrophobicContact CG-CD1 4.15Å; L594-L596 HydrophobicContact CG-CD2 3.83Å; L594-L596 HydrophobicContact CG-CG 3.87Å; L596-S598 PolarHBondContact O-N 2.89Å; L596-I613 PolarHBondContact N-O 3.05Å; L596-N614 WeakPolarHBondContact O-CA 3.35Å; L596-N614 WeakPolarHBondContact O-CB 3.44Å; L596-N614 PolarHBondContact O-OD1 2.89Å
597P98.1Very high95.8Very high1 Ų134 Ų341%0.00617%0.165CC..  trans-62.3132.6176.8-1732.4000110.9C398 L430 T528 I595 P615 Y617C398-P597 HydrophobicContact CB-CB 3.63Å; C398-P597 HydrophobicContact CB-CG 3.77Å; C398-P597 VanDerWaalsContact SG-CB 3.55Å; L430-P597 HydrophobicContact CD2-CG 4.17Å; T528-P597 WeakPolarHBondContact O-CD 3.44Å; I595-P597 HydrophobicContact CG2-CG 4.24Å; P597-P615 HydrophobicContact CB-CG 4.33Å; P597-P615 HydrophobicContact CG-CG 4.17Å; P597-Y617 HydrophobicContact CB-CD1 4.28Å; P597-Y617 HydrophobicContact CB-CE1 3.75Å; P597-Y617 PolarHBondContact O-OH 2.77Å
598S97.5Very high95.7Very high0 Ų036.8 Ų36.80%018%0.182CC..  trans-147.6151.2-173.3-178.10000113.4D531 L596 L600 N614 Y617D531-S598 VanDerWaalsContact CG-OG 3.31Å; D531-S598 WeakPolarHBondContact OD1-CA 3.45Å; D531-S598 WeakPolarHBondContact OD1-CB 3.39Å; D531-S598 PolarHBondContact OD1-OG 3.25Å; D531-S598 PolarHBondContact OD2-OG 3.36Å; L596-S598 PolarHBondContact O-N 2.89Å; S598-L600 PolarHBondContact O-N 2.75Å; S598-L600 WeakPolarHBondContact OG-CB 3.43Å; S598-L600 VanDerWaalsContact OG-CG 3.32Å; S598-L600 WeakPolarHBondContact OG-CG 3.2Å; S598-L600 PolarHBondContact OG-N 2.68Å; S598-L600 VanDerWaalsContact OG-N 3.1Å; S598-N614 PolarHBondContact N-OD1 3.09Å; S598-Y617 WeakPolarHBondContact CA-OH 3.49Å
599K93.8Very high95.7Very high119 Ų11933.8 Ų33.852%0.51716%0.163SC..SBendtrans-63.5-16.3168-66-178.1-179.7174.10111.2E437 D531 Y617E437-K599 IonicContact OE2-NZ 3.67Å; E437-K599 PolarHBondContact OE2-NZ 3.32Å; D531-K599 PolarHBondContact OD2-N 3.03Å; K599-Y617 HydrophobicContact CB-CE2 4.3Å; K599-Y617 HydrophobicContact CG-CD2 4.44Å; K599-Y617 HydrophobicContact CG-CE2 3.58Å; K599-Y617 VanDerWaalsContact N-CE2 3.34Å
600L94.3Very high95.8Very high46 Ų4631.2 Ų31.224%0.24115%0.147CC..SBendtrans-66.6166.6172.6-60.8175.9000112.9L533 I551 S598 Q602 N614 R620L533-L600 HydrophobicContact CB-CD1 4.01Å; I551-L600 HydrophobicContact CD1-CD1 4.01Å; S598-L600 PolarHBondContact O-N 2.75Å; S598-L600 WeakPolarHBondContact OG-CB 3.43Å; S598-L600 VanDerWaalsContact OG-CG 3.32Å; S598-L600 WeakPolarHBondContact OG-CG 3.2Å; S598-L600 PolarHBondContact OG-N 2.68Å; S598-L600 VanDerWaalsContact OG-N 3.1Å; L600-Q602 PolarHBondContact O-N 2.89Å; L600-N614 PolarHBondContact O-ND2 3.03Å; L600-R620 PolarHBondContact O-NH2 2.78Å; L600-R620 VanDerWaalsContact O-NH2 3.08Å
601R94.5Very high95.8Very high197 Ų19730.8 Ų30.874%0.74315%0.145SC*.PPolyproline II helixtrans-57.4138.6173.6-175177.2175.4174.4-0110F603 N614R601-F603 WeakPolarHBondContact O-CD1 3.39Å; R601-N614 PolarHBondContact O-ND2 2.99Å; R601-N614 VanDerWaalsContact O-ND2 3.07Å
602Q96.4Very high95.8Very high17 Ų1730.8 Ų30.88%0.07915%0.145CC..PPolyproline II helixtrans-61.6144.1176.9-59.392.3-44.200111.1I150 L600 N614 R620 S626 I672I150-Q602 HydrophobicContact CG2-CB 4.11Å; L600-Q602 PolarHBondContact O-N 2.89Å; Q602-N614 WeakPolarHBondContact CA-O 3.49Å; Q602-N614 WeakPolarHBondContact CB-O 3.36Å; Q602-R620 VanDerWaalsContact CD-NH1 3.33Å; Q602-R620 VanDerWaalsContact NE2-NH1 3.12Å; Q602-S626 WeakPolarHBondContact CG-OG 3.45Å; Q602-S626 PolarHBondContact NE2-OG 3.44Å; Q602-I672 HydrophobicContact CB-CD1 3.98Å; Q602-I672 HydrophobicContact CB-CG2 3.94Å; Q602-I672 HydrophobicContact CG-CG2 4.08Å
603F96.1Very high95.9Very high18 Ų1830.8 Ų30.88%0.07915%0.145CC..EExtended strand (participates in β ladder)trans-157.8162.4-179.967.9-94.5000111.9L533 I551 R601 K605 C612 N614 I672L533-F603 HydrophobicContact CD1-CE1 3.7Å; L533-F603 HydrophobicContact CD1-CZ 3.61Å; I551-F603 HydrophobicContact CG2-CD1 3.65Å; I551-F603 HydrophobicContact CG2-CD2 3.95Å; I551-F603 HydrophobicContact CG2-CE1 3.31Å; I551-F603 HydrophobicContact CG2-CE2 3.63Å; I551-F603 HydrophobicContact CG2-CG 3.97Å; I551-F603 HydrophobicContact CG2-CZ 3.3Å; R601-F603 WeakPolarHBondContact O-CD1 3.39Å; F603-K605 HydrophobicContact CD2-CB 4.15Å; F603-K605 HydrophobicContact CD2-CD 3.92Å; F603-K605 HydrophobicContact CD2-CG 3.87Å; F603-K605 HydrophobicContact CE2-CB 4.44Å; F603-K605 HydrophobicContact CE2-CD 4.36Å; F603-C612 HydrophobicContact CE2-CB 4.29Å; F603-N614 HydrophobicContact CD1-CB 3.57Å; F603-N614 HydrophobicContact CE1-CB 3.34Å; F603-N614 HydrophobicContact CG-CB 4.26Å; F603-N614 HydrophobicContact CZ-CB 3.86Å; F603-N614 PolarHBondContact N-O 2.92Å; F603-N614 PolarHBondContact O-N 3.32Å; F603-I672 WeakPolarHBondContact O-CD1 3.47Å
604V96.6Very high96Very high20 Ų2030.8 Ų30.812%0.12114%0.144CC..EExtended strand (participates in β ladder)trans-130.9129.7164.1-176.90000107.8Y153 L611 C612 I613 V670 I672Y153-V604 HydrophobicContact CD1-CG1 4.27Å; Y153-V604 HydrophobicContact CD2-CG1 4.04Å; Y153-V604 HydrophobicContact CG-CB 4.4Å; Y153-V604 HydrophobicContact CG-CG1 3.63Å; V604-L611 HydrophobicContact CG1-CD1 3.57Å; V604-L611 HydrophobicContact CG1-CD2 4.41Å; V604-L611 HydrophobicContact CG1-CG 3.98Å; V604-C612 WeakPolarHBondContact CA-O 3.49Å; V604-I613 HydrophobicContact CG1-CG1 4.11Å; V604-I613 HydrophobicContact CG2-CG1 4.41Å; V604-I613 HydrophobicContact CG2-CG2 4.34Å; V604-V670 HydrophobicContact CG1-CB 4.19Å; V604-V670 HydrophobicContact CG1-CG2 4.18Å; V604-V670 HydrophobicContact CG2-CB 3.93Å; V604-V670 HydrophobicContact CG2-CG1 3.58Å; V604-I672 HydrophobicContact CG2-CD1 3.77Å; V604-I672 HydrophobicContact CG2-CG1 4.03Å
605K94.3Very high96Very high54 Ų5430.8 Ų30.824%0.23514%0.144CC..EExtended strand (participates in β ladder)trans-142.4131.2-176.4-76.3178167.3-70.10111.4D549 I551 T552 F603 V607 C612D549-K605 IonicContact OD1-NZ 3.57Å; D549-K605 PolarHBondContact OD1-NZ 3.43Å; D549-K605 WeakPolarHBondContact OD2-CE 3.43Å; D549-K605 IonicContact OD2-NZ 2.91Å; D549-K605 PolarHBondContact OD2-NZ 3.16Å; I551-K605 HydrophobicContact CB-CD 4.18Å; I551-K605 HydrophobicContact CG2-CD 3.89Å; T552-K605 PolarHBondContact OG1-NZ 2.06Å; F603-K605 HydrophobicContact CD2-CB 4.15Å; F603-K605 HydrophobicContact CD2-CD 3.92Å; F603-K605 HydrophobicContact CD2-CG 3.87Å; F603-K605 HydrophobicContact CE2-CB 4.44Å; F603-K605 HydrophobicContact CE2-CD 4.36Å; K605-V607 HydrophobicContact CB-CG2 4.16Å; K605-C612 PolarHBondContact N-O 2.72Å; K605-C612 PolarHBondContact O-N 3.14Å
606N94.4Very high95.9Very high72 Ų7230.8 Ų30.839%0.38514%0.144SC..EExtended strand (participates in β ladder)trans-78.5121.5163.7176.8-2.1000108.5Y153 G609 V610Y153-N606 HydrophobicContact CE2-CB 4.48Å; N606-G609 WeakPolarHBondContact OD1-CA 3.43Å; N606-G609 PolarHBondContact OD1-N 2.85Å; N606-V610 WeakPolarHBondContact CA-O 3.4Å
607V93.8Very high95.8Very high3 Ų331.2 Ų31.22%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-128.6108.2177.3-172.70000107.5T552 C555 R556 L559 K605 G609 V610T552-V607 HydrophobicContact CG2-CG1 4.37Å; T552-V607 HydrophobicContact CG2-CG2 4.2Å; C555-V607 HydrophobicContact CB-CB 4.44Å; C555-V607 HydrophobicContact CB-CG1 4.36Å; C555-V607 HydrophobicContact CB-CG2 3.85Å; R556-V607 HydrophobicContact CB-CG1 4Å; L559-V607 HydrophobicContact CD1-CB 4.03Å; L559-V607 HydrophobicContact CD1-CG1 3.92Å; K605-V607 HydrophobicContact CB-CG2 4.16Å; V607-G609 PolarHBondContact O-N 2.89Å; V607-G609 VanDerWaalsContact O-N 3.12Å; V607-V610 PolarHBondContact N-O 3.09Å; V607-V610 WeakPolarHBondContact O-CB 3.22Å; V607-V610 PolarHBondContact O-N 3.16Å
608D91.8Very high95.8Very high82 Ų8231.2 Ų31.244%0.43915%0.146SC..THydrogen-bonded Turntrans54.330.4179.2-58.8-84.4000114.7I377 R556I377-D608 HydrophobicContact CD1-CB 4.09Å; I377-D608 WeakPolarHBondContact CD1-OD2 3.38Å; I377-D608 HydrophobicContact CG2-CB 4.44Å; R556-D608 IonicContact CZ-OD1 3.47Å; R556-D608 IonicContact CZ-OD2 2.94Å; R556-D608 IonicContact NH1-OD1 2.98Å; R556-D608 PolarHBondContact NH1-OD1 2.85Å; R556-D608 IonicContact NH1-OD2 3.75Å; R556-D608 PolarHBondContact NH1-OD2 2.91Å
609G91.9Very high95.6Very high16 Ų1631.5 Ų31.517%0.16515%0.148CC..THydrogen-bonded Turntrans92-0.1-17800000114.8N606 V607N606-G609 WeakPolarHBondContact OD1-CA 3.43Å; N606-G609 PolarHBondContact OD1-N 2.85Å; V607-G609 PolarHBondContact O-N 2.89Å; V607-G609 VanDerWaalsContact O-N 3.12Å
610V96Very high95.5Very high0 Ų030.1 Ų30.10%014%0.14CC..EExtended strand (participates in β ladder)trans-101.5133.7174.3-174.50000110.2P380 L559 T590 P591 L594 N606 V607 C612P380-V610 HydrophobicContact CG-CG2 3.98Å; L559-V610 HydrophobicContact CD1-CB 3.89Å; L559-V610 HydrophobicContact CD1-CG1 4.43Å; L559-V610 HydrophobicContact CD1-CG2 3.99Å; L559-V610 HydrophobicContact CD2-CB 4.18Å; L559-V610 HydrophobicContact CD2-CG1 3.99Å; L559-V610 HydrophobicContact CD2-CG2 3.99Å; T590-V610 HydrophobicContact CG2-CG2 3.65Å; P591-V610 WeakPolarHBondContact O-CG1 3.36Å; P591-V610 WeakPolarHBondContact O-CG2 3.45Å; L594-V610 HydrophobicContact CB-CG1 4.13Å; N606-V610 WeakPolarHBondContact CA-O 3.4Å; V607-V610 PolarHBondContact N-O 3.09Å; V607-V610 WeakPolarHBondContact O-CB 3.22Å; V607-V610 PolarHBondContact O-N 3.16Å; V610-C612 PolarHBondContact O-N 2.93Å
611L96.7Very high95.3Very high0 Ų029.7 Ų29.70%015%0.147CC..EExtended strand (participates in β ladder)trans-89.698.3177.1-165.163.1000111Y153 H592 C593 L594 V604 I613 I664 T668 V670Y153-L611 HydrophobicContact CD1-CD1 3.78Å; Y153-L611 HydrophobicContact CD1-CD2 4.3Å; Y153-L611 HydrophobicContact CD2-CD1 4.36Å; Y153-L611 HydrophobicContact CE1-CD1 3.66Å; Y153-L611 HydrophobicContact CE1-CD2 4.48Å; Y153-L611 HydrophobicContact CE2-CD1 4.27Å; Y153-L611 HydrophobicContact CG-CD1 4.14Å; H592-L611 PolarHBondContact O-N 2.8Å; C593-L611 CarbonylContact C-O 3.59Å; C593-L611 VanDerWaalsContact CA-O 3.28Å; C593-L611 WeakPolarHBondContact CA-O 3.28Å; C593-L611 HydrophobicContact CB-CB 4.38Å; C593-L611 PolarHBondContact SG-O 3.06Å; L594-L611 PolarHBondContact N-O 2.87Å; V604-L611 HydrophobicContact CG1-CD1 3.57Å; V604-L611 HydrophobicContact CG1-CD2 4.41Å; V604-L611 HydrophobicContact CG1-CG 3.98Å; L611-I613 HydrophobicContact CD2-CD1 4.35Å; L611-I613 HydrophobicContact CG-CD1 4.41Å; L611-I613 HydrophobicContact CG-CG1 4.28Å; L611-I664 HydrophobicContact CB-CG2 4.15Å; L611-T668 HydrophobicContact CD2-CG2 3.64Å; L611-V670 HydrophobicContact CD2-CG2 3.68Å
612C97.7Very high95.1Very high0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-85.4125.2177.7-62.30000110.8C555 L594 F603 V604 K605 V610C555-C612 HydrophobicContact CB-CB 4.27Å; L594-C612 WeakPolarHBondContact O-CA 3.15Å; F603-C612 HydrophobicContact CE2-CB 4.29Å; V604-C612 WeakPolarHBondContact CA-O 3.49Å; K605-C612 PolarHBondContact N-O 2.72Å; K605-C612 PolarHBondContact O-N 3.14Å; V610-C612 PolarHBondContact O-N 2.93Å
613I98.3Very high94.9Very high0 Ų028.1 Ų28.10%016%0.156CC..EExtended strand (participates in β ladder)trans-127.1123.3-173.4-56.9175.6000109.8C593 L594 I595 L596 V604 L611 P615 A628 I630 V670 I672C593-I613 WeakPolarHBondContact SG-CD1 3.5Å; L594-I613 PolarHBondContact O-N 3.15Å; I595-I613 HydrophobicContact CD1-CB 4.02Å; I595-I613 HydrophobicContact CD1-CD1 4.02Å; I595-I613 HydrophobicContact CD1-CG1 4.45Å; L596-I613 PolarHBondContact N-O 3.05Å; V604-I613 HydrophobicContact CG1-CG1 4.11Å; V604-I613 HydrophobicContact CG2-CG1 4.41Å; V604-I613 HydrophobicContact CG2-CG2 4.34Å; L611-I613 HydrophobicContact CD2-CD1 4.35Å; L611-I613 HydrophobicContact CG-CD1 4.41Å; L611-I613 HydrophobicContact CG-CG1 4.28Å; I613-P615 WeakPolarHBondContact O-CD 3.34Å; I613-A628 HydrophobicContact CG2-CB 4.17Å; I613-I630 HydrophobicContact CD1-CD1 3.54Å; I613-I630 HydrophobicContact CD1-CG1 3.86Å; I613-V670 HydrophobicContact CD1-CG1 4.02Å; I613-V670 HydrophobicContact CD1-CG2 3.8Å; I613-V670 HydrophobicContact CG2-CG1 4.47Å; I613-I672 HydrophobicContact CG2-CD1 4.44Å
614N98.3Very high94.8Very high0 Ų030.1 Ų30.10%017%0.165CC..EExtended strand (participates in β ladder)trans-102.199.3162.9172.318.7000109L596 S598 L600 R601 Q602 F603 G616 I672L596-N614 WeakPolarHBondContact O-CA 3.35Å; L596-N614 WeakPolarHBondContact O-CB 3.44Å; L596-N614 PolarHBondContact O-OD1 2.89Å; S598-N614 PolarHBondContact N-OD1 3.09Å; L600-N614 PolarHBondContact O-ND2 3.03Å; R601-N614 PolarHBondContact O-ND2 2.99Å; R601-N614 VanDerWaalsContact O-ND2 3.07Å; Q602-N614 WeakPolarHBondContact CA-O 3.49Å; Q602-N614 WeakPolarHBondContact CB-O 3.36Å; F603-N614 HydrophobicContact CD1-CB 3.57Å; F603-N614 HydrophobicContact CE1-CB 3.34Å; F603-N614 HydrophobicContact CG-CB 4.26Å; F603-N614 HydrophobicContact CZ-CB 3.86Å; F603-N614 PolarHBondContact N-O 2.92Å; F603-N614 PolarHBondContact O-N 3.32Å; N614-G616 PolarHBondContact O-N 2.92Å; N614-G616 WeakPolarHBondContact OD1-CA 3.34Å; N614-G616 PolarHBondContact OD1-N 3.43Å; N614-I672 VanDerWaalsContact O-CD1 3.29Å; N614-I672 WeakPolarHBondContact O-CD1 3.35Å
615P97.7Very high94.7Very high0 Ų029.3 Ų29.30%016%0.161CC..  trans-67.8-11.9178.229.7-36.2000113.2I595 P597 I613 S626 A628I595-P615 HydrophobicContact CG2-CG 4.18Å; P597-P615 HydrophobicContact CB-CG 4.33Å; P597-P615 HydrophobicContact CG-CG 4.17Å; I613-P615 WeakPolarHBondContact O-CD 3.34Å; P615-S626 CarbonylContact O-C 3.59Å; P615-S626 WeakPolarHBondContact O-CB 3.47Å; P615-S626 PolarHBondContact O-OG 2.82Å; P615-A628 HydrophobicContact CB-CB 3.78Å
616G96.9Very high94.8Very high0 Ų026.8 Ų26.80%015%0.15CC..  trans75.6-158.8-165.100000112.1N614N614-G616 PolarHBondContact O-N 2.92Å; N614-G616 WeakPolarHBondContact OD1-CA 3.34Å; N614-G616 PolarHBondContact OD1-N 3.43Å
617Y97.4Very high95Very high11 Ų1123.6 Ų23.64%0.04313%0.132CC..  trans-120.7150.4176.4-58.6-58.7000109.6C398 G399 P597 S598 K599 S619 G625 S626C398-Y617 HydrophobicContact CB-CD1 3.94Å; C398-Y617 HydrophobicContact CB-CE1 4.38Å; C398-Y617 WeakPolarHBondContact O-CA 3.44Å; G399-Y617 WeakPolarHBondContact O-CD1 3.44Å; P597-Y617 HydrophobicContact CB-CD1 4.28Å; P597-Y617 HydrophobicContact CB-CE1 3.75Å; P597-Y617 PolarHBondContact O-OH 2.77Å; S598-Y617 WeakPolarHBondContact CA-OH 3.49Å; K599-Y617 HydrophobicContact CB-CE2 4.3Å; K599-Y617 HydrophobicContact CG-CD2 4.44Å; K599-Y617 HydrophobicContact CG-CE2 3.58Å; K599-Y617 VanDerWaalsContact N-CE2 3.34Å; Y617-S619 VanDerWaalsContact C-N 3.31Å; Y617-S619 WeakPolarHBondContact CB-O 3.18Å; Y617-S619 PolarHBondContact O-N 3.31Å; Y617-G625 CarbonylContact O-C 3.57Å; Y617-G625 VanDerWaalsContact O-CA 3.25Å; Y617-G625 WeakPolarHBondContact O-CA 3.22Å; Y617-S626 CarbonylContact C-O 3.53Å; Y617-S626 PolarHBondContact O-N 2.85Å
618V96.8Very high95.2Very high0 Ų023.5 Ų23.50%013%0.132CC..SBendtrans-60-40.9176.5160.80000111.8A397 C398 P400 Y401 L415 G625 L675A397-V618 HydrophobicContact CB-CG2 3.85Å; C398-V618 PolarHBondContact O-N 3.34Å; P400-V618 WeakPolarHBondContact O-CB 3.41Å; Y401-V618 HydrophobicContact CD1-CB 4.03Å; Y401-V618 HydrophobicContact CD1-CG1 3.83Å; Y401-V618 HydrophobicContact CD1-CG2 3.87Å; Y401-V618 HydrophobicContact CE1-CB 4.35Å; Y401-V618 HydrophobicContact CE1-CG2 3.75Å; Y401-V618 HydrophobicContact CG-CG1 4.4Å; L415-V618 HydrophobicContact CD2-CG2 4.2Å; V618-G625 PolarHBondContact O-N 3.11Å; V618-L675 HydrophobicContact CB-CD2 4.4Å; V618-L675 HydrophobicContact CG1-CD2 3.65Å
619S94Very high95.4Very high6 Ų619.7 Ų19.74%0.04211%0.111CC..EExtended strand (participates in β ladder)trans-120.8140.9173.7-60.80000111.7P400 T402 Y617P400-S619 VanDerWaalsContact O-CB 3.31Å; P400-S619 WeakPolarHBondContact O-CB 3.45Å; P400-S619 PolarHBondContact O-N 2.7Å; P400-S619 PolarHBondContact O-OG 2.72Å; T402-S619 WeakPolarHBondContact O-CB 3.17Å; T402-S619 PolarHBondContact O-OG 3.09Å; Y617-S619 VanDerWaalsContact C-N 3.31Å; Y617-S619 WeakPolarHBondContact CB-O 3.18Å; Y617-S619 PolarHBondContact O-N 3.31Å
620R91Very high95.5Very high90 Ų9019 Ų1934%0.3410%0.104SC..EExtended strand (participates in β ladder)trans-12877.2178.1-73.3-176162-173.3-7.6109.4L600 Q602 E622 A623L600-R620 PolarHBondContact O-NH2 2.78Å; L600-R620 VanDerWaalsContact O-NH2 3.08Å; Q602-R620 VanDerWaalsContact CD-NH1 3.33Å; Q602-R620 VanDerWaalsContact NE2-NH1 3.12Å; R620-E622 PolarHBondContact O-N 3.26Å; R620-A623 PolarHBondContact N-O 2.93Å; R620-A623 PolarHBondContact O-N 3.48Å
621G89.7Confident95.4Very high38 Ų3819.3 Ų19.339%0.39211%0.105SC..THydrogen-bonded Turntrans67.9-119.9-17100000110.2L403 S404 A623L403-G621 CarbonylContact C-O 3.59Å; L403-G621 WeakPolarHBondContact CA-O 3.38Å; S404-G621 PolarHBondContact N-O 3.43Å; S404-G621 WeakPolarHBondContact OG-CA 3.26Å; S404-G621 PolarHBondContact OG-O 3.28Å; G621-A623 VanDerWaalsContact C-N 3.35Å
622E91.8Very high95.2Very high133 Ų13319.3 Ų19.362%0.62111%0.105SC*.THydrogen-bonded Turntrans-86.5-1.7-178.2-55.5-167.6136.200114.1S404 N405 R620S404-E622 WeakPolarHBondContact OG-CG 3.5Å; S404-E622 PolarHBondContact OG-N 3.42Å; N405-E622 HydrophobicContact CB-CG 4.4Å; N405-E622 PolarHBondContact ND2-OE1 2.85Å; R620-E622 PolarHBondContact O-N 3.26Å
623A92.3Very high94.7Very high48 Ų4820.7 Ų20.740%0.39711%0.113SC..EExtended strand (participates in β ladder)trans-114.3149.3-179.700000112.5R620 G621R620-A623 PolarHBondContact N-O 2.93Å; R620-A623 PolarHBondContact O-N 3.48Å; G621-A623 VanDerWaalsContact C-N 3.35Å
624F93.4Very high93.7Very high59 Ų5921 Ų2126%0.25912%0.116SC..EExtended strand (participates in β ladder)trans-68.3143166.1-59.1-62.6000110.9L403 T410 N414 L675L403-F624 HydrophobicContact CD1-CE1 4.22Å; L403-F624 HydrophobicContact CD1-CZ 4.05Å; L403-F624 HydrophobicContact CD2-CD1 3.95Å; L403-F624 HydrophobicContact CD2-CE1 3.88Å; L403-F624 HydrophobicContact CD2-CZ 4.46Å; L403-F624 HydrophobicContact CG-CE1 4.13Å; L403-F624 HydrophobicContact CG-CZ 4.45Å; T410-F624 HydrophobicContact CG2-CE1 4.36Å; T410-F624 HydrophobicContact CG2-CZ 3.84Å; N414-F624 WeakPolarHBondContact ND2-CZ 3.27Å; F624-L675 HydrophobicContact CB-CB 4.31Å; F624-L675 WeakPolarHBondContact CB-O 3.15Å; F624-L675 HydrophobicContact CD1-CD2 4.4Å
625G95Very high92.3Very high4 Ų427.5 Ų27.54%0.04115%0.151CC..  trans-105.6-108.7-178.100000112Y617 V618 R674 L675Y617-G625 CarbonylContact O-C 3.57Å; Y617-G625 VanDerWaalsContact O-CA 3.25Å; Y617-G625 WeakPolarHBondContact O-CA 3.22Å; V618-G625 PolarHBondContact O-N 3.11Å; G625-R674 WeakPolarHBondContact O-CA 3.4Å; G625-R674 WeakPolarHBondContact O-CG 3.4Å; G625-L675 PolarHBondContact O-N 3.22Å
626S96.6Very high90.9Very high0 Ų031.5 Ų31.50%017%0.17CC..EExtended strand (participates in β ladder)trans-160.2165.6-16856.50000115Q602 P615 Y617 K673Q602-S626 WeakPolarHBondContact CG-OG 3.45Å; Q602-S626 PolarHBondContact NE2-OG 3.44Å; P615-S626 CarbonylContact O-C 3.59Å; P615-S626 WeakPolarHBondContact O-CB 3.47Å; P615-S626 PolarHBondContact O-OG 2.82Å; Y617-S626 CarbonylContact C-O 3.53Å; Y617-S626 PolarHBondContact O-N 2.85Å; S626-K673 WeakPolarHBondContact CA-O 3.47Å; S626-K673 WeakPolarHBondContact CB-O 3.13Å
627Y97.6Very high89Confident6 Ų636.1 Ų36.12%0.02419%0.19CC..EExtended strand (participates in β ladder)trans-136.1166.517063-86000110M395 L415 C418 I672 K673 L675M395-Y627 HydrophobicContact CE-CD2 3.78Å; M395-Y627 HydrophobicContact CE-CE2 3.64Å; L415-Y627 HydrophobicContact CD1-CD1 4.04Å; L415-Y627 HydrophobicContact CD1-CG 3.94Å; C418-Y627 HydrophobicContact CB-CE1 4.22Å; Y627-I672 WeakPolarHBondContact O-CA 3.35Å; Y627-I672 WeakPolarHBondContact O-CG2 3.47Å; Y627-K673 HydrophobicContact CE1-CB 3.91Å; Y627-K673 HydrophobicContact CE2-CB 3.95Å; Y627-K673 HydrophobicContact CE2-CD 4.05Å; Y627-K673 PolarHBondContact N-O 2.99Å; Y627-K673 PolarHBondContact O-N 3.17Å; Y627-K673 WeakPolarHBondContact OH-CD 3.17Å; Y627-L675 HydrophobicContact CD1-CB 4.42Å; Y627-L675 HydrophobicContact CD1-CD1 4.21Å; Y627-L675 HydrophobicContact CE1-CD1 4.22Å
628A97.4Very high86.4Confident0 Ų040.8 Ų40.80%022%0.224CC..EExtended strand (participates in β ladder)trans-111.5146.6172.400000111.8M395 V396 I613 P615 L671 I672M395-A628 CarbonylContact C-O 3.52Å; M395-A628 WeakPolarHBondContact CA-O 3.09Å; V396-A628 PolarHBondContact N-O 3.05Å; V396-A628 PolarHBondContact O-N 2.82Å; I613-A628 HydrophobicContact CG2-CB 4.17Å; P615-A628 HydrophobicContact CB-CB 3.78Å; A628-L671 CarbonylContact C-O 3.59Å; A628-L671 WeakPolarHBondContact CA-O 3.36Å; A628-I672 HydrophobicContact CB-CG1 4.29Å
629E96.4Very high83.6Confident3 Ų344.8 Ų44.81%0.01425%0.252CS..EExtended strand (participates in β ladder)trans-118.4122.3171.2-175.1-179.9164.500107.1I162 H393 V670 L671 K673I162-E629 WeakPolarHBondContact CG2-OE1 3.44Å; H393-E629 IonicContact CE1-OE1 3.35Å; H393-E629 VanDerWaalsContact NE2-CG 3.35Å; H393-E629 WeakPolarHBondContact NE2-CG 3.38Å; H393-E629 IonicContact NE2-OE1 3.24Å; H393-E629 PolarHBondContact NE2-OE1 2.78Å; E629-V670 CarbonylContact O-C 3.56Å; E629-V670 VanDerWaalsContact O-CA 3.24Å; E629-V670 WeakPolarHBondContact O-CA 3.03Å; E629-V670 WeakPolarHBondContact O-CG1 3.08Å; E629-L671 HydrophobicContact CB-CB 4.46Å; E629-L671 PolarHBondContact N-O 2.85Å; E629-L671 PolarHBondContact O-N 2.84Å; E629-K673 VanDerWaalsContact OE2-CE 3.3Å; E629-K673 WeakPolarHBondContact OE2-CE 3.17Å; E629-K673 IonicContact OE2-NZ 3.92Å; E629-K673 PolarHBondContact OE2-NZ 3.26Å
630I95.7Very high80.7Confident1 Ų152.8 Ų52.81%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-119.2120.4-177-55.4170.8000106.9I394 V396 I595 I613 V632 T668 V670I394-I630 HydrophobicContact CB-CB 4.34Å; I394-I630 PolarHBondContact N-O 2.86Å; I394-I630 PolarHBondContact O-N 2.82Å; V396-I630 HydrophobicContact CG2-CD1 3.77Å; I595-I630 HydrophobicContact CD1-CD1 3.93Å; I613-I630 HydrophobicContact CD1-CD1 3.54Å; I613-I630 HydrophobicContact CD1-CG1 3.86Å; I630-V632 HydrophobicContact CG2-CG2 4.15Å; I630-T668 HydrophobicContact CG2-CG2 3.7Å; I630-V670 HydrophobicContact CG1-CG1 4.17Å; I630-V670 HydrophobicContact CG1-CG2 4.23Å; I630-V670 HydrophobicContact CG2-CG2 4.27Å
631V93.5Very high77.8Confident6 Ų652.7 Ų52.74%0.03631%0.307CS..EExtended strand (participates in β ladder)trans-119.7120.1173.2176.30000109.8I162 L392 H393 T668 S669I162-V631 HydrophobicContact CG2-CB 3.94Å; I162-V631 HydrophobicContact CG2-CG1 4.4Å; I162-V631 HydrophobicContact CG2-CG2 3.31Å; L392-V631 CarbonylContact O-C 3.59Å; L392-V631 VanDerWaalsContact O-CA 3.28Å; L392-V631 WeakPolarHBondContact O-CA 3.38Å; H393-V631 HydrophobicContact CB-CG2 3.83Å; V631-T668 CarbonylContact O-C 3.53Å; V631-T668 WeakPolarHBondContact O-CA 3.46Å; V631-S669 PolarHBondContact N-O 2.85Å; V631-S669 PolarHBondContact O-N 3.24Å; V631-S669 PolarHBondContact O-OG 2.9Å
632V91.6Very high74.9Confident0 Ų059.1 Ų59.10%033%0.327CS..EExtended strand (participates in β ladder)trans-107.2112.3179.4-166.70000107.5N391 L392 Y523 I630 I664 R667 T668N391-V632 WeakPolarHBondContact CA-O 3.2Å; L392-V632 HydrophobicContact CB-CB 4.34Å; L392-V632 PolarHBondContact N-O 3.13Å; L392-V632 PolarHBondContact O-N 2.91Å; Y523-V632 HydrophobicContact CD1-CG1 4.24Å; Y523-V632 HydrophobicContact CD2-CB 4.45Å; Y523-V632 HydrophobicContact CD2-CG1 4.07Å; Y523-V632 HydrophobicContact CE1-CG1 3.76Å; Y523-V632 HydrophobicContact CE2-CB 4.11Å; Y523-V632 HydrophobicContact CE2-CG1 3.56Å; Y523-V632 HydrophobicContact CG-CG1 4.37Å; I630-V632 HydrophobicContact CG2-CG2 4.15Å; V632-I664 HydrophobicContact CG1-CD1 3.95Å; V632-I664 HydrophobicContact CG1-CG1 3.95Å; V632-I664 HydrophobicContact CG2-CD1 3.99Å; V632-R667 HydrophobicContact CG1-CG 3.95Å; V632-T668 HydrophobicContact CG2-CG2 4.09Å
633N86.7Confident71.9Confident29 Ų2960.9 Ų60.916%0.15534%0.341CS..  trans-75.4148.2-179.7-66.5-29.4000111.1N391 N635 F637 R667N391-N633 VanDerWaalsContact OD1-CA 3.28Å; N391-N633 WeakPolarHBondContact OD1-CA 3.26Å; N633-N635 VanDerWaalsContact C-N 3.31Å; N633-N635 WeakPolarHBondContact CB-O 3.23Å; N633-F637 VanDerWaalsContact ND2-CE1 3.33Å; N633-F637 WeakPolarHBondContact ND2-CE1 3.17Å; N633-F637 WeakPolarHBondContact ND2-CZ 3.35Å; N633-R667 PolarHBondContact N-O 2.8Å
634G77.3Confident69Low7 Ų763.9 Ų63.97%0.07236%0.358CS..SBendtrans-63.1-39.6173.900000112.2C388 N391C388-G634 VanDerWaalsContact CB-O 3.25Å; C388-G634 WeakPolarHBondContact CB-O 3.28Å; C388-G634 WeakPolarHBondContact O-CA 3.41Å; N391-G634 PolarHBondContact OD1-N 2.93Å
635N70.1Confident65.9Low137 Ų13768.7 Ų68.773%0.73339%0.387SS*.SBendtrans-96.7147.7175.4-64.8-18.1000111.4N633N633-N635 VanDerWaalsContact C-N 3.31Å; N633-N635 WeakPolarHBondContact CB-O 3.23Å
636E67.2Low62.9Low83 Ų8375.4 Ų75.439%0.38842%0.422SS..  trans-67148.4167.9-61.2-168.9159.300111.1S638 R667E636-S638 PolarHBondContact O-N 2.92Å; E636-R667 HydrophobicContact CG-CB 4.4Å; E636-R667 IonicContact OE1-CZ 2.71Å; E636-R667 IonicContact OE1-NE 2.61Å; E636-R667 IonicContact OE1-NH2 3.24Å; E636-R667 PolarHBondContact OE1-NH2 3.15Å
637F58.2Low59.9Low97 Ų9782.7 Ų82.743%0.42546%0.459SS..  trans-6899.2169.3-66.6-70.7000108.7N633 S639 G666N633-F637 VanDerWaalsContact ND2-CE1 3.33Å; N633-F637 WeakPolarHBondContact ND2-CE1 3.17Å; N633-F637 WeakPolarHBondContact ND2-CZ 3.35Å; F637-S639 PolarHBondContact O-N 2.84Å; F637-G666 WeakPolarHBondContact CD2-O 3.49Å; F637-G666 PolarHBondContact N-O 3.31Å
638S42.8Very low56.5Low109 Ų10990.2 Ų90.276%0.76250%0.5SS*.  trans-53.8123165.955.70000108.6E636 L640E636-S638 PolarHBondContact O-N 2.92Å; S638-L640 PolarHBondContact O-N 3.48Å
639S37.8Very low53.4Low85 Ų8595.5 Ų95.559%0.59454%0.537SS*.  trans-44.5123.5-167.745.90000114F637 S641F637-S639 PolarHBondContact O-N 2.84Å; S639-S641 PolarHBondContact O-N 3.37Å
640L33.6Very low50.2Low173 Ų173106.7 Ų106.791%0.90658%0.581SS**SBendtrans-70.663.9169.3-77.3164.2000110.7S638S638-L640 PolarHBondContact O-N 3.48Å
641S29.3Very low47.2Very low89 Ų89113.6 Ų113.662%0.62262%0.616SS**  trans-151.426-178.964.40000113.9S639S639-S641 PolarHBondContact O-N 3.37Å
642E29Very low44.1Very low172 Ų172119 Ų11980%0.80465%0.651SS**SBendtrans-135.762.3172.4-69.1-165.1167.400111.6
643N28Very low41Very low171 Ų171126.4 Ų126.491%0.91469%0.69SS**  trans-163.953.5159.5-101.9-39.6000113.1
644S31.8Very low38.1Very low110 Ų110132.8 Ų132.877%0.76973%0.725SS**  trans-142.795.216158.80000109.4D646S644-D646 PolarHBondContact O-N 2.87Å
645N28.3Very low35.8Very low161 Ų161139.8 Ų139.886%0.86176%0.76SS**  trans-64100.8163.8-69.3-43.4000107.8
646D32.5Very low33.8Very low144 Ų144136.3 Ų136.377%0.7775%0.746SS**  trans174.9137.2134.9-92-27.1000113.2S644S644-D646 PolarHBondContact O-N 2.87Å
647I34Very low32.2Very low153 Ų153137.9 Ų137.979%0.78576%0.763SS**  trans74.196.8158.6-55156.5000118.4
648N25.8Very low31.2Very low165 Ų165139.9 Ų139.988%0.88277%0.774SS**  trans-10.2116148.4-61.9-43.4000118
649S32.1Very low31.3Very low110 Ų110139.6 Ų139.677%0.76976%0.761SS**  trans-156.3148.1137.953.80000111.8I651S649-I651 PolarHBondContact O-N 3.01Å
650Y28.8Very low32.1Very low239 Ų239138.3 Ų138.394%0.93775%0.752SS**  trans-57.1127.2-169.1-75.9-108000114.4
651I32.2Very low33.7Very low146 Ų146131.9 Ų131.975%0.74972%0.721SS**  trans-107.3132.3157.7-59.6177.5000107.2S649 D653S649-I651 PolarHBondContact O-N 3.01Å; I651-D653 PolarHBondContact O-N 2.94Å
652P29.6Very low35.9Very low119 Ų119128.5 Ų128.577%0.77370%0.697SS**  trans-79.8114.3177.530.3-32000111.4N654P652-N654 PolarHBondContact O-N 3.42Å; P652-N654 VanDerWaalsContact O-N 3.08Å
653D25.6Very low38.5Very low155 Ų155121.1 Ų121.183%0.82967%0.665SS**  trans-60.8105.9168.8-68.8-46.4000110.8I651I651-D653 PolarHBondContact O-N 2.94Å
654N26.3Very low41.4Very low163 Ų163113 Ų11387%0.87262%0.622SS**  trans-170.966.4159.8-97.5-38.7000111.9P652P652-N654 PolarHBondContact O-N 3.42Å; P652-N654 VanDerWaalsContact O-N 3.08Å
655L29.9Very low44Very low155 Ų155108.1 Ų108.181%0.81259%0.587SS**  trans-126.8105.9160.7-91.4159.1000107.7
656S27.4Very low46.6Very low63 Ų63102.2 Ų102.244%0.44156%0.564SS.*  trans-67.4139.3-179.6430000111E658 H659S656-E658 PolarHBondContact O-N 2.8Å; S656-H659 PolarHBondContact O-CD2 3.46Å; S656-H659 PolarHBondContact O-N 2.83Å; S656-H659 PolarHBondContact OG-CD2 2.67Å; S656-H659 VanDerWaalsContact OG-CD2 3.3Å
657P33.9Very low49.3Very low116 Ų11695.5 Ų95.575%0.75353%0.528SS*.G310 helixtrans-65.7-8.5-172.524.6-34.4000114.7H659 S660P657-H659 PolarHBondContact O-N 2.93Å; P657-S660 PolarHBondContact O-OG 2.81Å
658E36Very low52Low140 Ų14088.3 Ų88.365%0.65449%0.491SS*.G310 helixtrans-67.9-11.7173.3-61.1-173.1177.200114S656S656-E658 PolarHBondContact O-N 2.8Å
659H45.2Very low55.2Low103 Ų10380.7 Ų80.748%0.47745%0.451SS..G310 helixtrans-82-17.6-176.6-77.4-71.3000115.2S656 P657S656-H659 PolarHBondContact O-CD2 3.46Å; S656-H659 PolarHBondContact O-N 2.83Å; S656-H659 PolarHBondContact OG-CD2 2.67Å; S656-H659 VanDerWaalsContact OG-CD2 3.3Å; P657-H659 PolarHBondContact O-N 2.93Å
660S54.1Low58.1Low58 Ų5875.4 Ų75.441%0.40641%0.414SS..THydrogen-bonded Turntrans-75.5-45179.252.40000112.5P657 S662 S663P657-S660 PolarHBondContact O-OG 2.81Å; S660-S662 VanDerWaalsContact C-N 3.31Å; S660-S662 PolarHBondContact O-N 3.07Å; S660-S662 VanDerWaalsContact O-N 3.09Å; S660-S663 PolarHBondContact O-N 3.08Å
661S67.1Low61.3Low37 Ų3764 Ų6426%0.25937%0.369SS..THydrogen-bonded Turntrans-68.9-15.5-161.165.30000117.2F382 I383F382-S661 VanDerWaalsContact CE2-CB 3.48Å; I383-S661 PolarHBondContact N-O 3.47Å
662S77Confident64.3Low18 Ų1857.1 Ų57.113%0.12633%0.334CS..THydrogen-bonded Turntrans-109.10.7174.268.80000113.4S660S660-S662 VanDerWaalsContact C-N 3.31Å; S660-S662 PolarHBondContact O-N 3.07Å; S660-S662 VanDerWaalsContact O-N 3.09Å
663S83.7Confident67.4Low18 Ų1853 Ų5313%0.12630%0.303CS..  trans-103.2118.9-173.7-1760000110.6S660 C665S660-S663 PolarHBondContact O-N 3.08Å; S663-C665 PolarHBondContact O-N 3.37Å; S663-C665 PolarHBondContact OG-N 3.24Å
664I88.5Confident70.6Confident1 Ų152.5 Ų52.51%0.00529%0.29CS..G310 helixtrans-73.9-15.6175.6-148.4-171000112.1I383 Y523 H592 L611 V632 G666 R667 T668I383-I664 HydrophobicContact CD1-CB 4.16Å; I383-I664 HydrophobicContact CD1-CG1 4.3Å; Y523-I664 HydrophobicContact CD1-CD1 3.54Å; Y523-I664 HydrophobicContact CD1-CG1 3.67Å; Y523-I664 HydrophobicContact CE1-CD1 4.22Å; Y523-I664 HydrophobicContact CE1-CG1 3.96Å; Y523-I664 HydrophobicContact CG-CD1 3.82Å; Y523-I664 HydrophobicContact CG-CG1 4.44Å; H592-I664 HydrophobicContact CB-CB 4.01Å; H592-I664 HydrophobicContact CB-CD1 4.16Å; H592-I664 HydrophobicContact CB-CG2 4.08Å; H592-I664 WeakPolarHBondContact O-CG2 3.13Å; L611-I664 HydrophobicContact CB-CG2 4.15Å; V632-I664 HydrophobicContact CG1-CD1 3.95Å; V632-I664 HydrophobicContact CG1-CG1 3.95Å; V632-I664 HydrophobicContact CG2-CD1 3.99Å; I664-G666 VanDerWaalsContact C-N 3.34Å; I664-G666 PolarHBondContact O-N 3.12Å; I664-R667 HydrophobicContact CG1-CG 4.33Å; I664-R667 WeakPolarHBondContact O-CG 3.39Å; I664-R667 PolarHBondContact O-N 3.31Å; I664-T668 WeakPolarHBondContact CG1-OG1 3.18Å; I664-T668 WeakPolarHBondContact O-CB 3.28Å; I664-T668 PolarHBondContact O-N 2.96Å; I664-T668 VanDerWaalsContact O-N 3.17Å; I664-T668 PolarHBondContact O-OG1 3.17Å
665C85.6Confident73.7Confident7 Ų746.6 Ų46.65%0.04726%0.258CS..G310 helixtrans-61.9-37.5-172.3-61.60000113.1Y153 S663 R667Y153-C665 HydrophobicContact CE1-CB 4.37Å; Y153-C665 WeakPolarHBondContact OH-CB 3.43Å; S663-C665 PolarHBondContact O-N 3.37Å; S663-C665 PolarHBondContact OG-N 3.24Å; C665-R667 PolarHBondContact O-N 3.16Å; C665-R667 VanDerWaalsContact O-N 3.15Å
666G83.9Confident75.9Confident36 Ų3641.2 Ų41.237%0.37123%0.231SC..G310 helixtrans-71.2-2.2-179.400000115.3F637 I664F637-G666 WeakPolarHBondContact CD2-O 3.49Å; F637-G666 PolarHBondContact N-O 3.31Å; I664-G666 VanDerWaalsContact C-N 3.34Å; I664-G666 PolarHBondContact O-N 3.12Å
667R88.2Confident78.5Confident4 Ų440.1 Ų40.12%0.01522%0.22CC..G310 helixtrans-134.91.9-179.964.3-175.378.6-176.34.9114.1C388 V632 N633 E636 I664 C665C388-R667 PolarHBondContact SG-NH1 3.41Å; V632-R667 HydrophobicContact CG1-CG 3.95Å; N633-R667 PolarHBondContact N-O 2.8Å; E636-R667 HydrophobicContact CG-CB 4.4Å; E636-R667 IonicContact OE1-CZ 2.71Å; E636-R667 IonicContact OE1-NE 2.61Å; E636-R667 IonicContact OE1-NH2 3.24Å; E636-R667 PolarHBondContact OE1-NH2 3.15Å; I664-R667 HydrophobicContact CG1-CG 4.33Å; I664-R667 WeakPolarHBondContact O-CG 3.39Å; I664-R667 PolarHBondContact O-N 3.31Å; C665-R667 PolarHBondContact O-N 3.16Å; C665-R667 VanDerWaalsContact O-N 3.15Å
668T91.1Very high80.9Confident1 Ų135.8 Ų35.81%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-111.3124.3-175.7-54.10000111.4L611 I630 V631 V632 I664 V670L611-T668 HydrophobicContact CD2-CG2 3.64Å; I630-T668 HydrophobicContact CG2-CG2 3.7Å; V631-T668 CarbonylContact O-C 3.53Å; V631-T668 WeakPolarHBondContact O-CA 3.46Å; V632-T668 HydrophobicContact CG2-CG2 4.09Å; I664-T668 WeakPolarHBondContact CG1-OG1 3.18Å; I664-T668 WeakPolarHBondContact O-CB 3.28Å; I664-T668 PolarHBondContact O-N 2.96Å; I664-T668 VanDerWaalsContact O-N 3.17Å; I664-T668 PolarHBondContact O-OG1 3.17Å; T668-V670 HydrophobicContact CG2-CG2 3.93Å
669S92.5Very high83.6Confident5 Ų529.7 Ų29.74%0.03516%0.163CC..EExtended strand (participates in β ladder)trans-97.2143.3160.557.60000110.8Y153 V631Y153-S669 CarbonylContact O-C 3.5Å; Y153-S669 WeakPolarHBondContact O-CA 3.34Å; V631-S669 PolarHBondContact N-O 2.85Å; V631-S669 PolarHBondContact O-N 3.24Å; V631-S669 PolarHBondContact O-OG 2.9Å
670V94.3Very high86Confident0 Ų025.1 Ų25.10%014%0.143CC..EExtended strand (participates in β ladder)trans-132.7131.7173.7-174.70000109.2S152 Y153 V604 L611 I613 E629 I630 T668S152-V670 CarbonylContact C-O 3.54Å; S152-V670 WeakPolarHBondContact CA-O 3.42Å; Y153-V670 PolarHBondContact N-O 3.45Å; Y153-V670 PolarHBondContact O-N 2.79Å; V604-V670 HydrophobicContact CG1-CB 4.19Å; V604-V670 HydrophobicContact CG1-CG2 4.18Å; V604-V670 HydrophobicContact CG2-CB 3.93Å; V604-V670 HydrophobicContact CG2-CG1 3.58Å; L611-V670 HydrophobicContact CD2-CG2 3.68Å; I613-V670 HydrophobicContact CD1-CG1 4.02Å; I613-V670 HydrophobicContact CD1-CG2 3.8Å; I613-V670 HydrophobicContact CG2-CG1 4.47Å; E629-V670 CarbonylContact O-C 3.56Å; E629-V670 VanDerWaalsContact O-CA 3.24Å; E629-V670 WeakPolarHBondContact O-CA 3.03Å; E629-V670 WeakPolarHBondContact O-CG1 3.08Å; I630-V670 HydrophobicContact CG1-CG1 4.17Å; I630-V670 HydrophobicContact CG1-CG2 4.23Å; I630-V670 HydrophobicContact CG2-CG2 4.27Å; T668-V670 HydrophobicContact CG2-CG2 3.93Å
671L94.7Very high88.1Confident0 Ų022.9 Ų22.90%013%0.126CC..EExtended strand (participates in β ladder)trans-115.2133.8166.5-56.2-178.7000109L149 V157 A159 I162 A628 E629 K673L149-L671 HydrophobicContact CD1-CB 3.95Å; L149-L671 HydrophobicContact CD1-CD2 3.88Å; L149-L671 HydrophobicContact CD1-CG 4.35Å; V157-L671 HydrophobicContact CG1-CD2 4.33Å; A159-L671 HydrophobicContact CB-CD1 3.78Å; I162-L671 HydrophobicContact CD1-CD1 3.5Å; I162-L671 HydrophobicContact CD1-CD2 4.21Å; I162-L671 HydrophobicContact CD1-CG 3.55Å; I162-L671 HydrophobicContact CG1-CD1 4.47Å; A628-L671 CarbonylContact C-O 3.59Å; A628-L671 WeakPolarHBondContact CA-O 3.36Å; E629-L671 HydrophobicContact CB-CB 4.46Å; E629-L671 PolarHBondContact N-O 2.85Å; E629-L671 PolarHBondContact O-N 2.84Å; L671-K673 HydrophobicContact CB-CG 4.43Å
672I95.9Very high89.6Confident0 Ų021.9 Ų21.90%012%0.116CC..EExtended strand (participates in β ladder)trans-104.3116.7166.8-55.4-174.7000107I150 A151 Q602 F603 V604 I613 N614 Y627 A628I150-I672 HydrophobicContact CB-CG2 4.3Å; I150-I672 WeakPolarHBondContact CB-O 3.46Å; I150-I672 PolarHBondContact N-O 3.15Å; A151-I672 HydrophobicContact CB-CB 4.24Å; A151-I672 HydrophobicContact CB-CD1 4.28Å; A151-I672 HydrophobicContact CB-CG1 4.39Å; A151-I672 PolarHBondContact N-O 3.31Å; A151-I672 PolarHBondContact O-N 3.22Å; Q602-I672 HydrophobicContact CB-CD1 3.98Å; Q602-I672 HydrophobicContact CB-CG2 3.94Å; Q602-I672 HydrophobicContact CG-CG2 4.08Å; F603-I672 WeakPolarHBondContact O-CD1 3.47Å; V604-I672 HydrophobicContact CG2-CD1 3.77Å; V604-I672 HydrophobicContact CG2-CG1 4.03Å; I613-I672 HydrophobicContact CG2-CD1 4.44Å; N614-I672 VanDerWaalsContact O-CD1 3.29Å; N614-I672 WeakPolarHBondContact O-CD1 3.35Å; Y627-I672 WeakPolarHBondContact O-CA 3.35Å; Y627-I672 WeakPolarHBondContact O-CG2 3.47Å; A628-I672 HydrophobicContact CB-CG1 4.29Å
673K94.7Very high90.6Very high32 Ų3222.2 Ų22.214%0.13912%0.115CC..EExtended strand (participates in β ladder)trans-110144.5-175.5-70174.4177.21720110.5Q148 S626 Y627 E629 L671Q148-K673 CarbonylContact O-C 3.54Å; Q148-K673 VanDerWaalsContact O-CA 3.26Å; Q148-K673 WeakPolarHBondContact O-CA 3.42Å; S626-K673 WeakPolarHBondContact CA-O 3.47Å; S626-K673 WeakPolarHBondContact CB-O 3.13Å; Y627-K673 HydrophobicContact CE1-CB 3.91Å; Y627-K673 HydrophobicContact CE2-CB 3.95Å; Y627-K673 HydrophobicContact CE2-CD 4.05Å; Y627-K673 PolarHBondContact N-O 2.99Å; Y627-K673 PolarHBondContact O-N 3.17Å; Y627-K673 WeakPolarHBondContact OH-CD 3.17Å; E629-K673 VanDerWaalsContact OE2-CE 3.3Å; E629-K673 WeakPolarHBondContact OE2-CE 3.17Å; E629-K673 IonicContact OE2-NZ 3.92Å; E629-K673 PolarHBondContact OE2-NZ 3.26Å; L671-K673 HydrophobicContact CB-CG 4.43Å
674R93.8Very high91.2Very high145 Ų14522.6 Ų22.655%0.54712%0.115SC..EExtended strand (participates in β ladder)trans-66.8146.8167.1-164175.2-175.2176.7-2.1109.2Q148 I150 G625Q148-R674 PolarHBondContact O-N 3.29Å; I150-R674 HydrophobicContact CD1-CB 3.99Å; I150-R674 HydrophobicContact CG1-CB 4.27Å; G625-R674 WeakPolarHBondContact O-CA 3.4Å; G625-R674 WeakPolarHBondContact O-CG 3.4Å
675L90.7Very high91.4Very high40 Ų4024.5 Ų24.521%0.20913%0.125CC..  trans-94.90172.3-17566.5000111.8G411 N414 L415 V618 F624 G625 Y627G411-L675 WeakPolarHBondContact O-CD2 3.37Å; N414-L675 HydrophobicContact CB-CD1 3.84Å; N414-L675 HydrophobicContact CB-CD2 4.2Å; N414-L675 HydrophobicContact CB-CG 3.95Å; L415-L675 HydrophobicContact CB-CD1 4.22Å; L415-L675 HydrophobicContact CB-CD2 4.5Å; V618-L675 HydrophobicContact CB-CD2 4.4Å; V618-L675 HydrophobicContact CG1-CD2 3.65Å; F624-L675 HydrophobicContact CB-CB 4.31Å; F624-L675 WeakPolarHBondContact CB-O 3.15Å; F624-L675 HydrophobicContact CD1-CD2 4.4Å; G625-L675 PolarHBondContact O-N 3.22Å; Y627-L675 HydrophobicContact CD1-CB 4.42Å; Y627-L675 HydrophobicContact CD1-CD1 4.21Å; Y627-L675 HydrophobicContact CE1-CD1 4.22Å

Retrieved 675 of 675 residues in 568.7 ms (Link to these results)

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