A0A3Q0KQP5_SCHMA Loading...

CAS1 domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KQP5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,429 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
1M46.6Very low58.5Low169 Ų169100.6 Ų100.683%0.83358%0.582SS**  0-51.80-76.9173.171.900113.9S4 R5M1-S4 WeakPolarHBondContact CA-OG 3.38Å; M1-S4 PolarHBondContact O-N 3.27Å; M1-S4 PolarHBondContact O-OG 3.24Å; M1-S4 VanDerWaalsContact O-OG 3.05Å; M1-R5 PolarHBondContact O-N 2.77Å
2S53.3Low58.7Low105 Ų105100.8 Ų100.873%0.73457%0.574SS**Hα-helixtrans-57.1-51.5178.649.10000112.7S4 R5 A6S2-S4 PolarHBondContact O-N 2.76Å; S2-R5 PolarHBondContact O-N 3.31Å; S2-A6 WeakPolarHBondContact O-CB 3.48Å; S2-A6 PolarHBondContact O-N 3.12Å
3S52.9Low59.1Low94 Ų94100.5 Ų100.566%0.65758%0.575SS**Hα-helixtrans-57.3-41.6176.7165.80000113.5A6 A7S3-A6 PolarHBondContact O-N 3.32Å; S3-A7 WeakPolarHBondContact O-CB 3.36Å; S3-A7 PolarHBondContact O-N 3.3Å
4S60.2Low59.6Low74 Ų74103 Ų10352%0.51758%0.583SS.*Hα-helixtrans-72.6-35.8179.151.60000113M1 S2 S8M1-S4 WeakPolarHBondContact CA-OG 3.38Å; M1-S4 PolarHBondContact O-N 3.27Å; M1-S4 PolarHBondContact O-OG 3.24Å; M1-S4 VanDerWaalsContact O-OG 3.05Å; S2-S4 PolarHBondContact O-N 2.76Å; S4-S8 VanDerWaalsContact O-CB 3.27Å; S4-S8 WeakPolarHBondContact O-CB 3.45Å; S4-S8 PolarHBondContact O-N 3.32Å
5R58.9Low60.9Low182 Ų18299.7 Ų99.769%0.68756%0.563SS**Hα-helixtrans-65.4-39.8169.4-75-174.8176.4173.9-1111.9M1 S2 S8 A9M1-R5 PolarHBondContact O-N 2.77Å; S2-R5 PolarHBondContact O-N 3.31Å; R5-S8 PolarHBondContact O-N 2.92Å; R5-A9 WeakPolarHBondContact O-CB 3.45Å; R5-A9 PolarHBondContact O-N 3.37Å
6A61Low62Low49 Ų4997.8 Ų97.841%0.40555%0.547SS..Hα-helixtrans-64-47.4175.500000111.5S2 S3 S8 A9 I10S2-A6 WeakPolarHBondContact O-CB 3.48Å; S2-A6 PolarHBondContact O-N 3.12Å; S3-A6 PolarHBondContact O-N 3.32Å; A6-S8 VanDerWaalsContact C-N 3.33Å; A6-S8 PolarHBondContact O-N 2.87Å; A6-A9 PolarHBondContact O-N 2.58Å; A6-I10 WeakPolarHBondContact O-CB 3.46Å; A6-I10 WeakPolarHBondContact O-CD1 3.48Å; A6-I10 WeakPolarHBondContact O-CG1 3.39Å; A6-I10 PolarHBondContact O-N 3.49Å
7A59.6Low63.1Low57 Ų5795.2 Ų95.247%0.47153%0.529SS..Hα-helixtrans-61.8-38.9175.800000112.5S3 K11S3-A7 WeakPolarHBondContact O-CB 3.36Å; S3-A7 PolarHBondContact O-N 3.3Å; A7-K11 WeakPolarHBondContact O-CB 3.49Å; A7-K11 PolarHBondContact O-N 2.96Å
8S63.6Low64.4Low69 Ų6992.7 Ų92.748%0.48351%0.514SS..Hα-helixtrans-63.6-47.8173.8169.10000112.1S4 R5 A6 I10 K11 E12S4-S8 VanDerWaalsContact O-CB 3.27Å; S4-S8 WeakPolarHBondContact O-CB 3.45Å; S4-S8 PolarHBondContact O-N 3.32Å; R5-S8 PolarHBondContact O-N 2.92Å; A6-S8 VanDerWaalsContact C-N 3.33Å; A6-S8 PolarHBondContact O-N 2.87Å; S8-I10 PolarHBondContact O-N 3.07Å; S8-K11 PolarHBondContact O-N 3.42Å; S8-E12 PolarHBondContact O-N 3Å
9A63.8Low65.6Low51 Ų5189.1 Ų89.142%0.42150%0.498SS..Hα-helixtrans-64-40.4176.500000111.9R5 A6 K11 E12 V13R5-A9 WeakPolarHBondContact O-CB 3.45Å; R5-A9 PolarHBondContact O-N 3.37Å; A6-A9 PolarHBondContact O-N 2.58Å; A9-K11 VanDerWaalsContact C-N 3.33Å; A9-K11 PolarHBondContact O-N 2.85Å; A9-E12 PolarHBondContact O-N 2.76Å; A9-V13 WeakPolarHBondContact O-CB 3.21Å; A9-V13 WeakPolarHBondContact O-CG2 3.44Å; A9-V13 PolarHBondContact O-N 3.07Å
10I59.6Low66.7Low96 Ų9686.6 Ų86.649%0.49248%0.481SS..Hα-helixtrans-62.5-39.4173.9-69.9164.5000110.6A6 S8 V13 I14A6-I10 WeakPolarHBondContact O-CB 3.46Å; A6-I10 WeakPolarHBondContact O-CD1 3.48Å; A6-I10 WeakPolarHBondContact O-CG1 3.39Å; A6-I10 PolarHBondContact O-N 3.49Å; S8-I10 PolarHBondContact O-N 3.07Å; I10-V13 PolarHBondContact O-N 3.27Å; I10-I14 HydrophobicContact CG2-CD1 3.74Å; I10-I14 HydrophobicContact CG2-CG1 4.21Å; I10-I14 WeakPolarHBondContact O-CB 3.45Å; I10-I14 WeakPolarHBondContact O-CG1 3.42Å; I10-I14 PolarHBondContact O-N 3.16Å
11K63.6Low67.7Low161 Ų16189.2 Ų89.270%0.748%0.484SS*.Hα-helixtrans-69.3-34.5175.1-169.3-178.4177.5-170.10112.8A7 S8 A9A7-K11 WeakPolarHBondContact O-CB 3.49Å; A7-K11 PolarHBondContact O-N 2.96Å; S8-K11 PolarHBondContact O-N 3.42Å; A9-K11 VanDerWaalsContact C-N 3.33Å; A9-K11 PolarHBondContact O-N 2.85Å
12E61.7Low69.8Low103 Ų10384.7 Ų84.748%0.48147%0.466SS..Hα-helixtrans-71-34.7172.1-77.3-151.4114.200112.7S8 A9 N15 N18 R428S8-E12 PolarHBondContact O-N 3Å; A9-E12 PolarHBondContact O-N 2.76Å; E12-N15 PolarHBondContact O-ND2 2.8Å; E12-N18 PolarHBondContact O-ND2 3.26Å; E12-R428 IonicContact OE1-CZ 3.55Å; E12-R428 IonicContact OE1-NE 2.66Å; E12-R428 IonicContact OE1-NH2 3.65Å; E12-R428 PolarHBondContact OE1-NH2 3.04Å; E12-R428 IonicContact OE2-NH2 3.78Å
13V63.3Low71.5Confident97 Ų9779.8 Ų79.859%0.58843%0.431SS*.Hα-helixtrans-77.6-51.4178.1172.20000111.5A9 I10 N15 N18A9-V13 WeakPolarHBondContact O-CB 3.21Å; A9-V13 WeakPolarHBondContact O-CG2 3.44Å; A9-V13 PolarHBondContact O-N 3.07Å; I10-V13 PolarHBondContact O-N 3.27Å; V13-N15 PolarHBondContact O-N 3.07Å; V13-N18 WeakPolarHBondContact O-CB 3.38Å; V13-N18 PolarHBondContact O-ND2 2.87Å
14I66.1Low73.3Confident135 Ų13580.4 Ų80.469%0.69242%0.422SS*.SBendtrans-84.167177.8-48.5-177.6000109.2I10I10-I14 HydrophobicContact CG2-CD1 3.74Å; I10-I14 HydrophobicContact CG2-CG1 4.21Å; I10-I14 WeakPolarHBondContact O-CB 3.45Å; I10-I14 WeakPolarHBondContact O-CG1 3.42Å; I10-I14 PolarHBondContact O-N 3.16Å
15N79.8Confident74.8Confident53 Ų5382.8 Ų82.828%0.28342%0.424SS..  trans-112.2155.2170.880.660.2000110.7E12 V13 K17 N18 A19E12-N15 PolarHBondContact O-ND2 2.8Å; V13-N15 PolarHBondContact O-N 3.07Å; N15-K17 VanDerWaalsContact C-N 3.26Å; N15-K17 PolarHBondContact O-N 2.81Å; N15-K17 WeakPolarHBondContact OD1-CA 3.14Å; N15-K17 VanDerWaalsContact OD1-CB 3.29Å; N15-K17 WeakPolarHBondContact OD1-CB 3.47Å; N15-K17 PolarHBondContact OD1-N 3.46Å; N15-N18 VanDerWaalsContact ND2-CG 3.27Å; N15-N18 PolarHBondContact ND2-ND2 3.35Å; N15-N18 PolarHBondContact O-N 3.36Å; N15-N18 VanDerWaalsContact O-N 3.09Å; N15-N18 PolarHBondContact OD1-N 2.93Å; N15-A19 PolarHBondContact O-N 2.84Å
16F78.7Confident76.3Confident69 Ų6976.8 Ų76.830%0.30341%0.405SS..Hα-helixtrans-65.3-26.5-173.3-157.1-90.2000113.8K20 W1333 H1381F16-K20 HydrophobicContact CD1-CD 3.89Å; F16-K20 HydrophobicContact CD1-CG 4.01Å; F16-K20 HydrophobicContact CE1-CD 3.7Å; F16-K20 HydrophobicContact CE1-CG 3.73Å; F16-K20 WeakPolarHBondContact O-CE 3.17Å; F16-K20 WeakPolarHBondContact O-CG 3.37Å; F16-K20 PolarHBondContact O-N 3.43Å; F16-K20 VanDerWaalsContact O-N 3.09Å; F16-W1333 HydrophobicContact CD2-CZ2 4.31Å; F16-W1333 AromaticContact CE2-CH2 3.95Å; F16-W1333 HydrophobicContact CE2-CH2 3.95Å; F16-W1333 AromaticContact CE2-CZ2 3.58Å; F16-W1333 HydrophobicContact CE2-CZ2 3.58Å; F16-W1333 HydrophobicContact CZ-CH2 4.47Å; F16-W1333 HydrophobicContact CZ-CZ2 4.03Å; F16-H1381 AromaticContact CD1-CD2 3.81Å; F16-H1381 AromaticContact CD1-CE1 3.92Å; F16-H1381 AromaticContact CD1-NE2 3.74Å; F16-H1381 HydrophobicContact CE1-CB 3.55Å; F16-H1381 AromaticContact CE1-CD2 3.23Å; F16-H1381 WeakPolarHBondContact CE1-CD2 3.46Å; F16-H1381 AromaticContact CE1-CE1 3.85Å; F16-H1381 AromaticContact CE1-CG 3.18Å; F16-H1381 AromaticContact CE1-ND1 3.59Å; F16-H1381 AromaticContact CE1-NE2 3.66Å; F16-H1381 HydrophobicContact CZ-CB 3.62Å; F16-H1381 AromaticContact CZ-CD2 3.38Å; F16-H1381 WeakPolarHBondContact CZ-CD2 3.35Å; F16-H1381 AromaticContact CZ-CG 3.56Å
17K80.7Confident77.6Confident55 Ų5575.3 Ų75.324%0.23939%0.39CS..Hα-helixtrans-72.2-34.8175.1170.5-167.8170.7-156.50111.7N15 R21 F427N15-K17 VanDerWaalsContact C-N 3.26Å; N15-K17 PolarHBondContact O-N 2.81Å; N15-K17 WeakPolarHBondContact OD1-CA 3.14Å; N15-K17 VanDerWaalsContact OD1-CB 3.29Å; N15-K17 WeakPolarHBondContact OD1-CB 3.47Å; N15-K17 PolarHBondContact OD1-N 3.46Å; K17-R21 WeakPolarHBondContact O-CG 3.49Å; K17-R21 PolarHBondContact O-N 3.46Å; K17-F427 HydrophobicContact CD-CD1 4.02Å; K17-F427 HydrophobicContact CD-CE1 4.43Å; K17-F427 PolarHBondContact NZ-O 2.92Å
18N85.8Confident79Confident50 Ų5075.7 Ų75.727%0.26738%0.383SS..Hα-helixtrans-70.7-45.1171.6-72.6-3.1000110.8E12 V13 N15 K20 R21 T22E12-N18 PolarHBondContact O-ND2 3.26Å; V13-N18 WeakPolarHBondContact O-CB 3.38Å; V13-N18 PolarHBondContact O-ND2 2.87Å; N15-N18 VanDerWaalsContact ND2-CG 3.27Å; N15-N18 PolarHBondContact ND2-ND2 3.35Å; N15-N18 PolarHBondContact O-N 3.36Å; N15-N18 VanDerWaalsContact O-N 3.09Å; N15-N18 PolarHBondContact OD1-N 2.93Å; N18-K20 VanDerWaalsContact C-N 3.3Å; N18-K20 PolarHBondContact O-N 3.33Å; N18-R21 WeakPolarHBondContact O-CB 3.44Å; N18-R21 PolarHBondContact O-N 3.21Å; N18-T22 PolarHBondContact O-N 3.22Å; N18-T22 PolarHBondContact O-OG1 3.34Å
19A87.2Confident80.2Confident24 Ų2478.1 Ų78.120%0.19839%0.388CS..Hα-helixtrans-53.4-46175.700000112.2N15 R21 T22 S23 F1374N15-A19 PolarHBondContact O-N 2.84Å; A19-R21 PolarHBondContact O-N 3.46Å; A19-T22 PolarHBondContact O-N 3.1Å; A19-S23 PolarHBondContact O-N 3.31Å; A19-F1374 HydrophobicContact CB-CE2 4.08Å; A19-F1374 HydrophobicContact CB-CZ 3.99Å; A19-F1374 WeakPolarHBondContact O-CZ 3.47Å
20K88.4Confident81.4Confident39 Ų3976.6 Ų76.617%0.1737%0.373CS..Hα-helixtrans-62.1-40.2174.1-73.5-176.6-69.9-167.70114.3F16 N18 S23 F24 C1378 E1382F16-K20 HydrophobicContact CD1-CD 3.89Å; F16-K20 HydrophobicContact CD1-CG 4.01Å; F16-K20 HydrophobicContact CE1-CD 3.7Å; F16-K20 HydrophobicContact CE1-CG 3.73Å; F16-K20 WeakPolarHBondContact O-CE 3.17Å; F16-K20 WeakPolarHBondContact O-CG 3.37Å; F16-K20 PolarHBondContact O-N 3.43Å; F16-K20 VanDerWaalsContact O-N 3.09Å; N18-K20 VanDerWaalsContact C-N 3.3Å; N18-K20 PolarHBondContact O-N 3.33Å; K20-S23 WeakPolarHBondContact O-CB 3.37Å; K20-S23 PolarHBondContact O-N 2.85Å; K20-F24 PolarHBondContact O-N 2.85Å; K20-C1378 HydrophobicContact CG-CB 4.19Å; K20-E1382 VanDerWaalsContact CD-CD 3.43Å; K20-E1382 HydrophobicContact CD-CG 3.48Å; K20-E1382 VanDerWaalsContact CD-CG 3.48Å; K20-E1382 WeakPolarHBondContact CD-OE1 3.08Å; K20-E1382 WeakPolarHBondContact CE-OE1 3.3Å; K20-E1382 HydrophobicContact CG-CG 4.33Å; K20-E1382 IonicContact NZ-OE1 3.49Å; K20-E1382 PolarHBondContact NZ-OE1 3.28Å
21R87.8Confident82.6Confident142 Ų14273.4 Ų73.454%0.53636%0.359SS..Hα-helixtrans-62.7-45173.9-77.1174.6165.8-165.4-8.2111K17 N18 A19 S23 F24 F25K17-R21 WeakPolarHBondContact O-CG 3.49Å; K17-R21 PolarHBondContact O-N 3.46Å; N18-R21 WeakPolarHBondContact O-CB 3.44Å; N18-R21 PolarHBondContact O-N 3.21Å; A19-R21 PolarHBondContact O-N 3.46Å; R21-S23 VanDerWaalsContact C-N 3.35Å; R21-S23 PolarHBondContact O-N 3.01Å; R21-F24 PolarHBondContact O-N 3.2Å; R21-F25 WeakPolarHBondContact O-CD2 3.49Å; R21-F25 PolarHBondContact O-N 3.24Å
22T89.5Confident83.5Confident74 Ų7470.8 Ų70.845%0.45435%0.352SS..Hα-helixtrans-60.4-43.3174.6-570000111.4N18 A19 F24 F25 L26 F1374N18-T22 PolarHBondContact O-N 3.22Å; N18-T22 PolarHBondContact O-OG1 3.34Å; A19-T22 PolarHBondContact O-N 3.1Å; T22-F24 PolarHBondContact O-N 2.94Å; T22-F25 PolarHBondContact O-N 3.22Å; T22-L26 HydrophobicContact CG2-CD1 3.95Å; T22-L26 HydrophobicContact CG2-CG 4.37Å; T22-L26 WeakPolarHBondContact O-CB 3.32Å; T22-L26 VanDerWaalsContact O-CG 3.25Å; T22-L26 WeakPolarHBondContact O-CG 3.19Å; T22-L26 PolarHBondContact O-N 3.5Å; T22-F1374 HydrophobicContact CG2-CE1 4.36Å
23S89.5Confident84.5Confident2 Ų271.9 Ų71.91%0.01435%0.352CS..Hα-helixtrans-57.5-48173.2-176.70000112A19 K20 R21 L26 M27 I1375A19-S23 PolarHBondContact O-N 3.31Å; K20-S23 WeakPolarHBondContact O-CB 3.37Å; K20-S23 PolarHBondContact O-N 2.85Å; R21-S23 VanDerWaalsContact C-N 3.35Å; R21-S23 PolarHBondContact O-N 3.01Å; S23-L26 PolarHBondContact O-N 2.85Å; S23-M27 WeakPolarHBondContact O-CG 3.41Å; S23-M27 PolarHBondContact O-N 3.35Å; S23-I1375 WeakPolarHBondContact OG-CA 3.37Å
24F90.3Very high85.2Confident107 Ų10767.5 Ų67.547%0.46933%0.325SS..Hα-helixtrans-61.8-44.5179179-102.7000112.5K20 R21 T22 M27 I28K20-F24 PolarHBondContact O-N 2.85Å; R21-F24 PolarHBondContact O-N 3.2Å; T22-F24 PolarHBondContact O-N 2.94Å; F24-M27 PolarHBondContact O-N 3.29Å; F24-I28 HydrophobicContact CD1-CD1 4.04Å; F24-I28 HydrophobicContact CE1-CD1 3.51Å; F24-I28 HydrophobicContact CE2-CD1 4.12Å; F24-I28 HydrophobicContact CZ-CD1 3.57Å; F24-I28 PolarHBondContact O-N 3.32Å; F24-I28 VanDerWaalsContact O-N 3.17Å
25F91.4Very high85.6Confident124 Ų12461.5 Ų61.554%0.54430%0.297SS..Hα-helixtrans-65.8-39.4174.6-73-60.9000112.4R21 T22 I28 M29R21-F25 WeakPolarHBondContact O-CD2 3.49Å; R21-F25 PolarHBondContact O-N 3.24Å; T22-F25 PolarHBondContact O-N 3.22Å; F25-I28 PolarHBondContact O-N 3.35Å; F25-M29 WeakPolarHBondContact O-CB 3.14Å; F25-M29 VanDerWaalsContact O-CG 3.23Å; F25-M29 WeakPolarHBondContact O-CG 3.5Å; F25-M29 PolarHBondContact O-N 2.86Å
26L90.8Very high85.3Confident55 Ų5564.7 Ų64.729%0.28831%0.309SS..Hα-helixtrans-60.9-47.5174-76.7167.7000111.3T22 S23 I28 M29 I30 L1371 F1374 I1375T22-L26 HydrophobicContact CG2-CD1 3.95Å; T22-L26 HydrophobicContact CG2-CG 4.37Å; T22-L26 WeakPolarHBondContact O-CB 3.32Å; T22-L26 VanDerWaalsContact O-CG 3.25Å; T22-L26 WeakPolarHBondContact O-CG 3.19Å; T22-L26 PolarHBondContact O-N 3.5Å; S23-L26 PolarHBondContact O-N 2.85Å; L26-I28 VanDerWaalsContact C-N 3.3Å; L26-I28 PolarHBondContact O-N 2.91Å; L26-M29 PolarHBondContact O-N 3.07Å; L26-I30 HydrophobicContact CB-CD1 4.15Å; L26-I30 HydrophobicContact CD2-CD1 4.49Å; L26-I30 VanDerWaalsContact O-CB 3.28Å; L26-I30 WeakPolarHBondContact O-CB 3.38Å; L26-I30 VanDerWaalsContact O-CD1 3.32Å; L26-I30 WeakPolarHBondContact O-CD1 3.29Å; L26-I30 WeakPolarHBondContact O-CG1 3.32Å; L26-I30 PolarHBondContact O-N 2.77Å; L26-L1371 HydrophobicContact CD1-CD1 4.01Å; L26-L1371 HydrophobicContact CD2-CD1 4.42Å; L26-F1374 HydrophobicContact CD1-CD1 4.2Å; L26-F1374 HydrophobicContact CD1-CE1 4.1Å; L26-I1375 HydrophobicContact CB-CD1 4.27Å
27M89.3Confident84.7Confident19 Ų1965.4 Ų65.49%0.09432%0.315CS..Hα-helixtrans-54.5-47.4177.2-68.1156.166.400111.1S23 F24 S31 Y482 I1375 I1379S23-M27 WeakPolarHBondContact O-CG 3.41Å; S23-M27 PolarHBondContact O-N 3.35Å; F24-M27 PolarHBondContact O-N 3.29Å; M27-S31 WeakPolarHBondContact O-CB 3.23Å; M27-S31 PolarHBondContact O-N 2.68Å; M27-S31 PolarHBondContact O-OG 3.4Å; M27-Y482 HydrophobicContact CB-CD2 4.49Å; M27-Y482 HydrophobicContact CB-CE2 4.14Å; M27-Y482 HydrophobicContact CE-CD1 3.69Å; M27-Y482 HydrophobicContact CE-CD2 3.88Å; M27-Y482 HydrophobicContact CE-CE1 4.04Å; M27-Y482 HydrophobicContact CE-CE2 4.24Å; M27-Y482 HydrophobicContact CE-CG 3.59Å; M27-Y482 HydrophobicContact CG-CE1 4.46Å; M27-Y482 HydrophobicContact CG-CE2 4.1Å; M27-I1375 HydrophobicContact CG-CD1 4.44Å; M27-I1375 HydrophobicContact CG-CG2 3.74Å; M27-I1375 HydrophobicContact SD-CG2 4.08Å; M27-I1379 HydrophobicContact CE-CD1 3.75Å; M27-I1379 HydrophobicContact CE-CG1 4.31Å; M27-I1379 HydrophobicContact SD-CD1 3.78Å; M27-I1379 HydrophobicContact SD-CG1 4.1Å
28I87.8Confident83.7Confident64 Ų6464.8 Ų64.833%0.32831%0.313SS..Hα-helixtrans-65.1-50.9179-69.8172.1000110.9F24 F25 L26 I30 S31 I32F24-I28 HydrophobicContact CD1-CD1 4.04Å; F24-I28 HydrophobicContact CE1-CD1 3.51Å; F24-I28 HydrophobicContact CE2-CD1 4.12Å; F24-I28 HydrophobicContact CZ-CD1 3.57Å; F24-I28 PolarHBondContact O-N 3.32Å; F24-I28 VanDerWaalsContact O-N 3.17Å; F25-I28 PolarHBondContact O-N 3.35Å; L26-I28 VanDerWaalsContact C-N 3.3Å; L26-I28 PolarHBondContact O-N 2.91Å; I28-I30 VanDerWaalsContact C-N 3.34Å; I28-I30 PolarHBondContact O-N 3.12Å; I28-S31 WeakPolarHBondContact O-CB 3.39Å; I28-S31 PolarHBondContact O-N 2.78Å; I28-I32 HydrophobicContact CG2-CD1 3.64Å; I28-I32 HydrophobicContact CG2-CG1 4.42Å; I28-I32 WeakPolarHBondContact O-CG1 3.48Å; I28-I32 PolarHBondContact O-N 3.03Å
29M89.3Confident82.5Confident120 Ų12064.9 Ų64.959%0.59132%0.316SS*.Hα-helixtrans-63.5-38.4-177.3-69-65.6170.900112.5F25 L26 Y33F25-M29 WeakPolarHBondContact O-CB 3.14Å; F25-M29 VanDerWaalsContact O-CG 3.23Å; F25-M29 WeakPolarHBondContact O-CG 3.5Å; F25-M29 PolarHBondContact O-N 2.86Å; L26-M29 PolarHBondContact O-N 3.07Å; M29-Y33 WeakPolarHBondContact O-CB 3.42Å; M29-Y33 PolarHBondContact O-N 3.09Å
30I88.1Confident81.1Confident20 Ų2071.4 Ų71.410%0.10334%0.34CS..Hα-helixtrans-71-38.9176.8-62.3162.1000110.4L26 I28 Y33 H34 F492 L1360 L1371 I1375L26-I30 HydrophobicContact CB-CD1 4.15Å; L26-I30 HydrophobicContact CD2-CD1 4.49Å; L26-I30 VanDerWaalsContact O-CB 3.28Å; L26-I30 WeakPolarHBondContact O-CB 3.38Å; L26-I30 VanDerWaalsContact O-CD1 3.32Å; L26-I30 WeakPolarHBondContact O-CD1 3.29Å; L26-I30 WeakPolarHBondContact O-CG1 3.32Å; L26-I30 PolarHBondContact O-N 2.77Å; I28-I30 VanDerWaalsContact C-N 3.34Å; I28-I30 PolarHBondContact O-N 3.12Å; I30-Y33 PolarHBondContact O-N 2.9Å; I30-H34 PolarHBondContact O-CD2 3.24Å; I30-H34 PolarHBondContact O-N 3.29Å; I30-F492 HydrophobicContact CG2-CE1 3.98Å; I30-L1360 HydrophobicContact CD1-CD1 4.39Å; I30-L1360 HydrophobicContact CG2-CB 4.14Å; I30-L1360 HydrophobicContact CG2-CD2 4.12Å; I30-L1371 HydrophobicContact CD1-CD1 4.29Å; I30-L1371 HydrophobicContact CD1-CD2 3.84Å; I30-L1371 HydrophobicContact CD1-CG 4.3Å; I30-I1375 HydrophobicContact CD1-CD1 4.13Å
31S85Confident79.4Confident28 Ų2873.3 Ų73.320%0.19636%0.358CS..Hα-helixtrans-61-46.3173.6-55.90000111.9M27 I28 G35M27-S31 WeakPolarHBondContact O-CB 3.23Å; M27-S31 PolarHBondContact O-N 2.68Å; M27-S31 PolarHBondContact O-OG 3.4Å; I28-S31 WeakPolarHBondContact O-CB 3.39Å; I28-S31 PolarHBondContact O-N 2.78Å; S31-G35 PolarHBondContact O-N 3.34Å
32I83.4Confident77.5Confident106 Ų10670 Ų7054%0.54437%0.369SS..Hα-helixtrans-66.6-41.3178-67.7170.4000110.8I28 G35 F36I28-I32 HydrophobicContact CG2-CD1 3.64Å; I28-I32 HydrophobicContact CG2-CG1 4.42Å; I28-I32 WeakPolarHBondContact O-CG1 3.48Å; I28-I32 PolarHBondContact O-N 3.03Å; I32-G35 PolarHBondContact O-N 2.82Å; I32-F36 WeakPolarHBondContact O-CB 3.5Å; I32-F36 PolarHBondContact O-N 3.07Å
33Y83.2Confident75.7Confident127 Ų12768.6 Ų68.650%0.49836%0.358SS..Hα-helixtrans-60.2-49.2177.3173.1-97.1000112.1M29 I30 G35 F36 L37M29-Y33 WeakPolarHBondContact O-CB 3.42Å; M29-Y33 PolarHBondContact O-N 3.09Å; I30-Y33 PolarHBondContact O-N 2.9Å; Y33-G35 VanDerWaalsContact C-N 3.35Å; Y33-F36 PolarHBondContact O-N 3.02Å; Y33-L37 HydrophobicContact CE1-CD1 3.83Å; Y33-L37 HydrophobicContact CE2-CD1 4.46Å; Y33-L37 WeakPolarHBondContact O-CB 3.35Å; Y33-L37 PolarHBondContact O-N 3.18Å; Y33-L37 WeakPolarHBondContact OH-CD1 3.26Å
34H77.9Confident74Confident4 Ų471.5 Ų71.52%0.01938%0.378CS..Hα-helixtrans-64.8-39.3175.4-82.6-81.4000111.7I30 F36 L37 M38 L491 F492 L1360I30-H34 PolarHBondContact O-CD2 3.24Å; I30-H34 PolarHBondContact O-N 3.29Å; H34-F36 PolarHBondContact O-N 3.49Å; H34-L37 PolarHBondContact O-N 2.9Å; H34-M38 WeakPolarHBondContact O-CB 3.46Å; H34-M38 VanDerWaalsContact O-CG 3.24Å; H34-M38 WeakPolarHBondContact O-CG 3.31Å; H34-M38 PolarHBondContact O-N 3.39Å; H34-L491 HydrophobicContact CB-CD1 4.21Å; H34-L491 HydrophobicContact CB-CG 4.26Å; H34-L491 WeakPolarHBondContact CB-O 3.33Å; H34-F492 HydrophobicContact CB-CD1 4.31Å; H34-F492 HydrophobicContact CB-CE1 4.27Å; H34-F492 AromaticContact CD2-CD1 3.74Å; H34-F492 AromaticContact CD2-CE1 3.83Å; H34-F492 AromaticContact CG-CD1 3.95Å; H34-L1360 PolarHBondContact NE2-O 3.01Å
35G72.8Confident72.2Confident10 Ų1071 Ų7110%0.10338%0.38CS..Hα-helixtrans-56.4-46.9172.900000112.8S31 I32 Y33 M38 T39S31-G35 PolarHBondContact O-N 3.34Å; I32-G35 PolarHBondContact O-N 2.82Å; Y33-G35 VanDerWaalsContact C-N 3.35Å; G35-M38 PolarHBondContact O-N 3.43Å; G35-T39 WeakPolarHBondContact O-CG2 2.99Å; G35-T39 PolarHBondContact O-N 2.76Å; G35-T39 PolarHBondContact O-OG1 3.44Å
36F73.7Confident70.4Confident120 Ų12072.2 Ų72.253%0.52639%0.387SS..Hα-helixtrans-67.8-37.3176.5179.6-99.1000113.2I32 Y33 H34 M38 T39 K40I32-F36 WeakPolarHBondContact O-CB 3.5Å; I32-F36 PolarHBondContact O-N 3.07Å; Y33-F36 PolarHBondContact O-N 3.02Å; H34-F36 PolarHBondContact O-N 3.49Å; F36-M38 VanDerWaalsContact C-N 3.28Å; F36-M38 PolarHBondContact O-N 2.87Å; F36-T39 WeakPolarHBondContact CA-OG1 3.3Å; F36-T39 PolarHBondContact O-N 3.33Å; F36-T39 PolarHBondContact O-OG1 3.4Å; F36-K40 HydrophobicContact CE1-CD 4.01Å; F36-K40 HydrophobicContact CE1-CG 4.28Å; F36-K40 HydrophobicContact CZ-CD 4.31Å; F36-K40 HydrophobicContact CZ-CG 4.3Å; F36-K40 PolarHBondContact O-N 2.94Å
37L67.9Low68.5Low84 Ų8472.8 Ų72.844%0.4439%0.393SS..Hα-helixtrans-67.1-33.3177.3-161.5144.3000111.1Y33 H34Y33-L37 HydrophobicContact CE1-CD1 3.83Å; Y33-L37 HydrophobicContact CE2-CD1 4.46Å; Y33-L37 WeakPolarHBondContact O-CB 3.35Å; Y33-L37 PolarHBondContact O-N 3.18Å; Y33-L37 WeakPolarHBondContact OH-CD1 3.26Å; H34-L37 PolarHBondContact O-N 2.9Å
38M59.6Low66.7Low41 Ų4172.4 Ų72.420%0.20239%0.391CS..Hα-helixtrans-74.1-42.5171.4-65.8-66.6-177.700112.7H34 G35 F36 K40 S41 F48H34-M38 WeakPolarHBondContact O-CB 3.46Å; H34-M38 VanDerWaalsContact O-CG 3.24Å; H34-M38 WeakPolarHBondContact O-CG 3.31Å; H34-M38 PolarHBondContact O-N 3.39Å; G35-M38 PolarHBondContact O-N 3.43Å; F36-M38 VanDerWaalsContact C-N 3.28Å; F36-M38 PolarHBondContact O-N 2.87Å; M38-K40 VanDerWaalsContact C-N 3.26Å; M38-K40 PolarHBondContact O-N 3.19Å; M38-S41 VanDerWaalsContact O-CB 3.31Å; M38-S41 WeakPolarHBondContact O-CB 3.35Å; M38-S41 PolarHBondContact O-N 3.16Å; M38-S41 PolarHBondContact O-OG 3.42Å; M38-F48 HydrophobicContact CB-CD2 4.19Å; M38-F48 HydrophobicContact CB-CE2 3.83Å; M38-F48 HydrophobicContact CB-CZ 4.02Å; M38-F48 HydrophobicContact CE-CZ 4.3Å; M38-F48 HydrophobicContact CG-CE1 4.37Å; M38-F48 HydrophobicContact CG-CE2 3.72Å; M38-F48 HydrophobicContact CG-CZ 3.61Å; M38-F48 HydrophobicContact SD-CE2 3.72Å; M38-F48 HydrophobicContact SD-CZ 3.95Å
39T60.1Low64.7Low53 Ų5374.7 Ų74.733%0.32540%0.403SS..Hα-helixtrans-66.3-28.3176.858.20000112.6G35 F36 S41 G42 I43G35-T39 WeakPolarHBondContact O-CG2 2.99Å; G35-T39 PolarHBondContact O-N 2.76Å; G35-T39 PolarHBondContact O-OG1 3.44Å; F36-T39 WeakPolarHBondContact CA-OG1 3.3Å; F36-T39 PolarHBondContact O-N 3.33Å; F36-T39 PolarHBondContact O-OG1 3.4Å; T39-S41 PolarHBondContact O-N 2.97Å; T39-S41 VanDerWaalsContact O-N 3.1Å; T39-G42 PolarHBondContact O-N 3.04Å; T39-I43 WeakPolarHBondContact CA-O 3.31Å
40K56.9Low62.6Low161 Ų16175.1 Ų75.170%0.741%0.406SS*.THydrogen-bonded Turntrans-60.6-12.1167.7-99.8-164.1171.6-167.70114.8F36 M38 G42F36-K40 HydrophobicContact CE1-CD 4.01Å; F36-K40 HydrophobicContact CE1-CG 4.28Å; F36-K40 HydrophobicContact CZ-CD 4.31Å; F36-K40 HydrophobicContact CZ-CG 4.3Å; F36-K40 PolarHBondContact O-N 2.94Å; M38-K40 VanDerWaalsContact C-N 3.26Å; M38-K40 PolarHBondContact O-N 3.19Å; K40-G42 VanDerWaalsContact C-N 3.29Å
41S53.4Low60.3Low79 Ų7980.1 Ų80.155%0.55243%0.432SS*.THydrogen-bonded Turntrans-83.61170.475.70000114.3M38 T39M38-S41 VanDerWaalsContact O-CB 3.31Å; M38-S41 WeakPolarHBondContact O-CB 3.35Å; M38-S41 PolarHBondContact O-N 3.16Å; M38-S41 PolarHBondContact O-OG 3.42Å; T39-S41 PolarHBondContact O-N 2.97Å; T39-S41 VanDerWaalsContact O-N 3.1Å
42G48.5Very low58.4Low73 Ų7379.7 Ų79.775%0.75343%0.432SS*.THydrogen-bonded Turntrans95.98.917600000115.2T39 K40T39-G42 PolarHBondContact O-N 3.04Å; K40-G42 VanDerWaalsContact C-N 3.29Å
43I51.1Low56.8Low43 Ų4375.2 Ų75.222%0.22141%0.412CS..  trans-106.5131.8-176.1-49.9179.6000109.5T39 V47 F48T39-I43 WeakPolarHBondContact CA-O 3.31Å; I43-V47 HydrophobicContact CG2-CB 4.03Å; I43-V47 HydrophobicContact CG2-CG1 3.69Å; I43-F48 HydrophobicContact CG2-CB 3.96Å
44S53.3Low55.7Low64 Ų6475.4 Ų75.445%0.44842%0.422SS..  trans-72155.9175.575.40000111.6E46 V47 F48S44-E46 PolarHBondContact O-N 3.22Å; S44-V47 PolarHBondContact O-N 3.49Å; S44-V47 WeakPolarHBondContact OG-CB 3.47Å; S44-V47 VanDerWaalsContact OG-CG2 3.22Å; S44-V47 WeakPolarHBondContact OG-CG2 3.37Å; S44-F48 WeakPolarHBondContact O-CB 3.49Å; S44-F48 PolarHBondContact O-N 3.31Å
45L53Low55.4Low96 Ų9676.5 Ų76.550%0.50343%0.428SS..Hα-helixtrans-63.8-37.2-171.3-170.864.5000113.2L49L45-L49 HydrophobicContact CG-CD1 4.5Å; L45-L49 WeakPolarHBondContact O-CG 3.3Å; L45-L49 PolarHBondContact O-N 3.2Å; L45-L49 VanDerWaalsContact O-N 3.09Å
46E53.8Low55.8Low150 Ų15076.4 Ų76.470%0.70143%0.426SS*.Hα-helixtrans-67.6-46.8173.6-72.1178.7122.900111.8S44 F48 L49 I50S44-E46 PolarHBondContact O-N 3.22Å; E46-F48 VanDerWaalsContact C-N 3.27Å; E46-F48 PolarHBondContact O-N 3.15Å; E46-L49 PolarHBondContact O-N 3.18Å; E46-L49 VanDerWaalsContact O-N 3.16Å; E46-I50 WeakPolarHBondContact O-CB 3.03Å; E46-I50 WeakPolarHBondContact O-CG1 3.38Å; E46-I50 PolarHBondContact O-N 3.44Å
47V49.6Very low56Low67 Ų6778.4 Ų78.441%0.40643%0.434SS..Hα-helixtrans-61.3-37.8177.9172.20000110.9I43 S44 I50 L51I43-V47 HydrophobicContact CG2-CB 4.03Å; I43-V47 HydrophobicContact CG2-CG1 3.69Å; S44-V47 PolarHBondContact O-N 3.49Å; S44-V47 WeakPolarHBondContact OG-CB 3.47Å; S44-V47 VanDerWaalsContact OG-CG2 3.22Å; S44-V47 WeakPolarHBondContact OG-CG2 3.37Å; V47-I50 PolarHBondContact O-N 3.19Å; V47-L51 HydrophobicContact CG1-CD1 3.93Å; V47-L51 PolarHBondContact O-N 3.5Å
48F52.5Low56.5Low10 Ų1075.7 Ų75.74%0.04442%0.422CS..Hα-helixtrans-65.8-41.5175-178.7-95.7000112.7M38 I43 S44 E46 I50 G52 I490 L491M38-F48 HydrophobicContact CB-CD2 4.19Å; M38-F48 HydrophobicContact CB-CE2 3.83Å; M38-F48 HydrophobicContact CB-CZ 4.02Å; M38-F48 HydrophobicContact CE-CZ 4.3Å; M38-F48 HydrophobicContact CG-CE1 4.37Å; M38-F48 HydrophobicContact CG-CE2 3.72Å; M38-F48 HydrophobicContact CG-CZ 3.61Å; M38-F48 HydrophobicContact SD-CE2 3.72Å; M38-F48 HydrophobicContact SD-CZ 3.95Å; I43-F48 HydrophobicContact CG2-CB 3.96Å; S44-F48 WeakPolarHBondContact O-CB 3.49Å; S44-F48 PolarHBondContact O-N 3.31Å; E46-F48 VanDerWaalsContact C-N 3.27Å; E46-F48 PolarHBondContact O-N 3.15Å; F48-I50 VanDerWaalsContact C-N 3.34Å; F48-G52 WeakPolarHBondContact O-CA 3.49Å; F48-G52 PolarHBondContact O-N 3.13Å; F48-I490 HydrophobicContact CD2-CD1 4.33Å; F48-I490 HydrophobicContact CE1-CD1 4.43Å; F48-I490 HydrophobicContact CE1-CG1 4.18Å; F48-I490 HydrophobicContact CE2-CD1 3.57Å; F48-I490 HydrophobicContact CE2-CG1 4.16Å; F48-I490 HydrophobicContact CZ-CD1 3.63Å; F48-I490 HydrophobicContact CZ-CG1 3.68Å; F48-L491 HydrophobicContact CE1-CD1 4.15Å
49L46.6Very low57.8Low113 Ų11373.8 Ų73.859%0.59241%0.413SS*.Hα-helixtrans-67.3-32.5176.8-78.4166.6000112.9L45 E46L45-L49 HydrophobicContact CG-CD1 4.5Å; L45-L49 WeakPolarHBondContact O-CG 3.3Å; L45-L49 PolarHBondContact O-N 3.2Å; L45-L49 VanDerWaalsContact O-N 3.09Å; E46-L49 PolarHBondContact O-N 3.18Å; E46-L49 VanDerWaalsContact O-N 3.16Å
50I44.3Very low59.2Low129 Ų12971.4 Ų71.466%0.66240%0.398SS*.Hα-helixtrans-92.7-46.6-173.3-64.8168.2000112.5E46 V47 F48E46-I50 WeakPolarHBondContact O-CB 3.03Å; E46-I50 WeakPolarHBondContact O-CG1 3.38Å; E46-I50 PolarHBondContact O-N 3.44Å; V47-I50 PolarHBondContact O-N 3.19Å; F48-I50 VanDerWaalsContact C-N 3.34Å
51L40.3Very low60.4Low124 Ų12465 Ų6565%0.64937%0.373SS*.Hα-helixtrans-99.6-26.6-175.5-72114.5000114.2V47V47-L51 HydrophobicContact CG1-CD1 3.93Å; V47-L51 PolarHBondContact O-N 3.5Å
52G45.3Very low61.2Low19 Ų1965.9 Ų65.920%0.19637%0.372CS..  trans78.8129.6-174.500000113.5F48F48-G52 WeakPolarHBondContact O-CA 3.49Å; F48-G52 PolarHBondContact O-N 3.13Å
53G49.4Very low62.5Low12 Ų1262.9 Ų62.912%0.12434%0.341CS..  trans-65.7149.117400000113.5L55G53-L55 WeakPolarHBondContact O-CD1 3.38Å; G53-L55 PolarHBondContact O-N 2.82Å
54N59.3Low63.6Low131 Ų13168.2 Ų68.270%0.70136%0.359SS*.  trans-67.884.3-172-89.8-32.2000114.5C56 K57N54-C56 PolarHBondContact O-N 3.14Å; N54-C56 VanDerWaalsContact O-N 3.09Å; N54-K57 PolarHBondContact O-N 2.72Å
55L72.1Confident64.3Low27 Ų2766.7 Ų66.714%0.14135%0.348CS..THydrogen-bonded Turntrans-60.6-16171.5-64109.4000113.4G53 K57 S58 L59 C76 I490G53-L55 WeakPolarHBondContact O-CD1 3.38Å; G53-L55 PolarHBondContact O-N 2.82Å; L55-K57 PolarHBondContact O-N 2.87Å; L55-S58 PolarHBondContact O-N 3.4Å; L55-L59 PolarHBondContact O-N 3.03Å; L55-C76 HydrophobicContact CB-CB 4.26Å; L55-C76 HydrophobicContact CD2-CB 3.73Å; L55-I490 HydrophobicContact CD1-CB 4.07Å; L55-I490 HydrophobicContact CD1-CD1 3.95Å; L55-I490 HydrophobicContact CD1-CG2 3.68Å
56C80.7Confident64.8Low9 Ų962.4 Ų62.46%0.06133%0.327CS..Hα-helixtrans-55.3-33.1169.1-66.10000112.9N54 S58 L59 L60 L360 C374N54-C56 PolarHBondContact O-N 3.14Å; N54-C56 VanDerWaalsContact O-N 3.09Å; C56-S58 VanDerWaalsContact C-N 3.34Å; C56-S58 PolarHBondContact O-N 3Å; C56-L59 WeakPolarHBondContact O-CB 3.14Å; C56-L59 PolarHBondContact O-N 3.01Å; C56-L59 VanDerWaalsContact O-N 3.17Å; C56-L60 WeakPolarHBondContact O-CG 3.36Å; C56-L60 PolarHBondContact O-N 2.73Å; C56-L360 HydrophobicContact CB-CD1 4.03Å; C56-C374 WeakPolarHBondContact CA-SG 3.42Å; C56-C374 HydrophobicContact CB-CB 4.44Å; C56-C374 WeakPolarHBondContact CB-SG 3.3Å; C56-C374 WeakPolarHBondContact SG-CA 3.29Å; C56-C374 WeakPolarHBondContact SG-CB 3.38Å; C56-C374 CovalentContact SG-SG 2.03Å; C56-C374 PolarHBondContact SG-SG 2.86Å
57K78Confident65.3Low162 Ų16261 Ų6170%0.70433%0.33SS*.Hα-helixtrans-62.6-41.6179-165.9169.5-177.3174.10111.7N54 L55 L60 S61N54-K57 PolarHBondContact O-N 2.72Å; L55-K57 PolarHBondContact O-N 2.87Å; K57-L60 PolarHBondContact O-N 2.87Å; K57-S61 PolarHBondContact O-N 3.36Å; K57-S61 PolarHBondContact O-OG 2.73Å
58S78.4Confident66Low27 Ų2759.9 Ų59.919%0.18933%0.326CS..Hα-helixtrans-71-28.3175.5-61.20000113.7L55 C56 L60 P73 Y74 S75L55-S58 PolarHBondContact O-N 3.4Å; C56-S58 VanDerWaalsContact C-N 3.34Å; C56-S58 PolarHBondContact O-N 3Å; S58-L60 VanDerWaalsContact C-N 3.32Å; S58-P73 WeakPolarHBondContact O-CB 3.34Å; S58-Y74 VanDerWaalsContact CB-O 3.28Å; S58-Y74 WeakPolarHBondContact CB-O 3.37Å; S58-S75 PolarHBondContact OG-OG 2.93Å
59L87.7Confident66.6Low0 Ų059.6 Ų59.60%033%0.325CS..Hα-helixtrans-65.5-38.1171.7179.163.8000111.7L55 C56 P73 I78 S283 I356 N359 L360 C373L55-L59 PolarHBondContact O-N 3.03Å; C56-L59 WeakPolarHBondContact O-CB 3.14Å; C56-L59 PolarHBondContact O-N 3.01Å; C56-L59 VanDerWaalsContact O-N 3.17Å; L59-P73 HydrophobicContact CD1-CG 4.25Å; L59-I78 HydrophobicContact CD1-CD1 3.78Å; L59-I78 HydrophobicContact CD1-CG1 3.83Å; L59-S283 WeakPolarHBondContact O-CB 3.39Å; L59-S283 PolarHBondContact O-OG 3.03Å; L59-I356 HydrophobicContact CD1-CD1 3.88Å; L59-I356 HydrophobicContact CD1-CG2 4.18Å; L59-I356 HydrophobicContact CD2-CG2 4.47Å; L59-I356 HydrophobicContact CG-CG2 4.01Å; L59-N359 HydrophobicContact CD1-CB 4.39Å; L59-N359 HydrophobicContact CD2-CB 3.8Å; L59-L360 HydrophobicContact CD2-CB 4.24Å; L59-C373 HydrophobicContact CB-CB 4.08Å; L59-C373 HydrophobicContact CD1-CB 4.19Å; L59-C373 HydrophobicContact CD2-CB 4.05Å; L59-C373 HydrophobicContact CG-CB 4.33Å
60L89.6Confident68Low4 Ų456.7 Ų56.72%0.02131%0.309CS..Hα-helixtrans-93.4-19.7-174.5-63.7-174.4000114.7C56 K57 S58 E279 W281 S282 S283 I356 L360C56-L60 WeakPolarHBondContact O-CG 3.36Å; C56-L60 PolarHBondContact O-N 2.73Å; K57-L60 PolarHBondContact O-N 2.87Å; S58-L60 VanDerWaalsContact C-N 3.32Å; L60-E279 HydrophobicContact CD1-CB 3.84Å; L60-W281 HydrophobicContact CD2-CB 4.09Å; L60-W281 HydrophobicContact CD2-CD2 4.43Å; L60-W281 HydrophobicContact CD2-CG 3.83Å; L60-S282 PolarHBondContact O-N 2.87Å; L60-S282 PolarHBondContact O-OG 2.98Å; L60-S283 PolarHBondContact O-N 3.22Å; L60-S283 PolarHBondContact O-OG 3.29Å; L60-I356 HydrophobicContact CD2-CG2 3.85Å; L60-L360 HydrophobicContact CD1-CD1 3.74Å; L60-L360 HydrophobicContact CD1-CD2 4.12Å; L60-L360 HydrophobicContact CD2-CD1 4.28Å; L60-L360 HydrophobicContact CD2-CD2 4.21Å; L60-L360 HydrophobicContact CG-CD1 4.11Å
61S82.3Confident69.8Low25 Ų2551 Ų5118%0.17528%0.279CS..SBendtrans-104.9-88174.572.10000113.5K57K57-S61 PolarHBondContact O-N 3.36Å; K57-S61 PolarHBondContact O-OG 2.73Å
62D69.2Low71.7Confident99 Ų9948.1 Ų48.153%0.52926%0.26SS..  trans-100.5126.2-156.8-57.9-80.2000112.6Y74D62-Y74 VanDerWaalsContact C-CD2 3.46Å; D62-Y74 HydrophobicContact CB-CD2 3.77Å; D62-Y74 HydrophobicContact CB-CE2 4.24Å; D62-Y74 VanDerWaalsContact O-CD2 3.29Å; D62-Y74 WeakPolarHBondContact O-CD2 3.04Å; D62-Y74 PolarHBondContact O-N 3.45Å
63G75.6Confident73.5Confident10 Ų1047.8 Ų47.810%0.10325%0.254CS..BIsolated β-bridgetrans-152.5-179.8173.300000114R72 Y74G63-R72 CarbonylContact C-O 3.56Å; G63-R72 WeakPolarHBondContact CA-O 3.5Å; G63-Y74 VanDerWaalsContact CA-CE2 3.49Å; G63-Y74 WeakPolarHBondContact O-CE2 3.28Å; G63-Y74 PolarHBondContact O-OH 3.34Å
64R75.4Confident74.6Confident155 Ų15551.8 Ų51.859%0.58527%0.266SS*.  trans-117.8119.9175.9-179.1176177.91664109.8G66 R72 Y74R64-G66 PolarHBondContact O-N 3.34Å; R64-R72 PolarHBondContact N-O 2.72Å; R64-R72 WeakPolarHBondContact O-CB 3.26Å; R64-R72 PolarHBondContact O-N 2.99Å; R64-Y74 HydrophobicContact CB-CE1 3.99Å
65S67.6Low75.3Confident32 Ų3246.9 Ų46.922%0.22424%0.242CC..  trans-66.8130.2168.5-27.30000110.3E70 L286S65-E70 CarbonylContact C-O 3.55Å; S65-E70 WeakPolarHBondContact CA-O 3.26Å; S65-L286 PolarHBondContact OG-O 2.91Å
66G63.9Low75.9Confident5 Ų545.7 Ų45.75%0.05224%0.236CC..  trans-73.3168.3177.100000112.9R64 S68 G69 E70R64-G66 PolarHBondContact O-N 3.34Å; G66-S68 PolarHBondContact O-N 2.79Å; G66-G69 PolarHBondContact O-N 3.41Å; G66-E70 PolarHBondContact N-O 3.43Å
67P63.4Low76.3Confident120 Ų12045.3 Ų45.378%0.77923%0.233SC*.THydrogen-bonded Turntrans-57.6-19.9178.5-27.435.9000115.7
68S64.5Low76.8Confident45 Ų4538.6 Ų38.632%0.31521%0.205SC..THydrogen-bonded Turntrans-101.63.3178.246.60000113.6G66 E70 K348 R498G66-S68 PolarHBondContact O-N 2.79Å; S68-E70 WeakPolarHBondContact OG-CG 3.49Å; S68-E70 PolarHBondContact OG-OE1 3.3Å; S68-K348 PolarHBondContact O-NZ 2.81Å; S68-R498 PolarHBondContact OG-NH2 3.21Å
69G64.9Low77.4Confident3 Ų338.1 Ų38.13%0.03120%0.2CC..SBendtrans95.8-21.9-176.900000116G66 F71G66-G69 PolarHBondContact O-N 3.41Å; G69-F71 PolarHBondContact O-N 2.86Å
70E75.4Confident77.6Confident52 Ų5243.2 Ų43.224%0.24323%0.231CC..  trans-39.9121177.2-66.3155.4-144.500111.9S65 G66 S68 R72 E352 R498S65-E70 CarbonylContact C-O 3.55Å; S65-E70 WeakPolarHBondContact CA-O 3.26Å; G66-E70 PolarHBondContact N-O 3.43Å; S68-E70 WeakPolarHBondContact OG-CG 3.49Å; S68-E70 PolarHBondContact OG-OE1 3.3Å; E70-R72 IonicContact OE2-CZ 3.12Å; E70-R72 IonicContact OE2-NE 3.96Å; E70-R72 PolarHBondContact OE2-NE 3.36Å; E70-R72 IonicContact OE2-NH2 2.68Å; E70-R72 PolarHBondContact OE2-NH2 2.84Å; E70-E352 WeakPolarHBondContact CA-OE2 3.21Å; E70-R498 IonicContact OE1-CZ 3.35Å; E70-R498 IonicContact OE1-NE 3.31Å; E70-R498 IonicContact OE1-NH2 2.77Å; E70-R498 PolarHBondContact OE1-NH2 3.21Å; E70-R498 IonicContact OE2-CZ 3.81Å; E70-R498 IonicContact OE2-NE 3.35Å; E70-R498 PolarHBondContact OE2-NE 3.49Å; E70-R498 IonicContact OE2-NH2 3.75Å; E70-R498 PolarHBondContact OE2-NH2 2.95Å
71F82.2Confident77.8Confident9 Ų943.5 Ų43.54%0.03923%0.232CC..  trans-77.3140.9172173.6-90.9000111.1G69 P73 I78 L286 I287 E352 I356G69-F71 PolarHBondContact O-N 2.86Å; F71-P73 HydrophobicContact CE1-CB 3.88Å; F71-P73 HydrophobicContact CE1-CG 4.23Å; F71-P73 HydrophobicContact CZ-CB 4.19Å; F71-I78 HydrophobicContact CD1-CD1 4.3Å; F71-L286 HydrophobicContact CD2-CB 4.11Å; F71-L286 HydrophobicContact CE2-CB 4.15Å; F71-L286 HydrophobicContact CE2-CD1 3.93Å; F71-I287 HydrophobicContact CB-CD1 3.83Å; F71-I287 HydrophobicContact CB-CG1 3.36Å; F71-I287 HydrophobicContact CD2-CG1 4.27Å; F71-I287 HydrophobicContact CG-CD1 4.17Å; F71-I287 HydrophobicContact CG-CG1 3.93Å; F71-E352 PolarHBondContact N-OE2 3.13Å; F71-I356 HydrophobicContact CD1-CD1 3.76Å; F71-I356 HydrophobicContact CE1-CD1 4.13Å
72R80.3Confident78.2Confident65 Ų6544.6 Ų44.625%0.24524%0.24CC..  trans-138.2107.3-179.1-61.8172.5170-104.4-10.6108G63 R64 E70 N496G63-R72 CarbonylContact C-O 3.56Å; G63-R72 WeakPolarHBondContact CA-O 3.5Å; R64-R72 PolarHBondContact N-O 2.72Å; R64-R72 WeakPolarHBondContact O-CB 3.26Å; R64-R72 PolarHBondContact O-N 2.99Å; E70-R72 IonicContact OE2-CZ 3.12Å; E70-R72 IonicContact OE2-NE 3.96Å; E70-R72 PolarHBondContact OE2-NE 3.36Å; E70-R72 IonicContact OE2-NH2 2.68Å; E70-R72 PolarHBondContact OE2-NH2 2.84Å; R72-N496 PolarHBondContact NH1-O 3.41Å
73P83.1Confident79.1Confident11 Ų1140.8 Ų40.87%0.07122%0.221CC..BIsolated β-bridgetrans-62.4153.517826.8-33.1000109.9S58 L59 F71 I78 C373S58-P73 WeakPolarHBondContact O-CB 3.34Å; L59-P73 HydrophobicContact CD1-CG 4.25Å; F71-P73 HydrophobicContact CE1-CB 3.88Å; F71-P73 HydrophobicContact CE1-CG 4.23Å; F71-P73 HydrophobicContact CZ-CB 4.19Å; P73-I78 VanDerWaalsContact CD-CD1 3.43Å; P73-I78 HydrophobicContact CG-CD1 3.97Å; P73-I78 HydrophobicContact CG-CG1 3.99Å; P73-C373 VanDerWaalsContact CG-SG 3.6Å
74Y72.6Confident79.6Confident97 Ų9741.9 Ų41.938%0.3823%0.232SC..SBendtrans-72.2165.8163-58.1-68000109.2S58 D62 G63 R64 C76S58-Y74 VanDerWaalsContact CB-O 3.28Å; S58-Y74 WeakPolarHBondContact CB-O 3.37Å; D62-Y74 VanDerWaalsContact C-CD2 3.46Å; D62-Y74 HydrophobicContact CB-CD2 3.77Å; D62-Y74 HydrophobicContact CB-CE2 4.24Å; D62-Y74 VanDerWaalsContact O-CD2 3.29Å; D62-Y74 WeakPolarHBondContact O-CD2 3.04Å; D62-Y74 PolarHBondContact O-N 3.45Å; G63-Y74 VanDerWaalsContact CA-CE2 3.49Å; G63-Y74 WeakPolarHBondContact O-CE2 3.28Å; G63-Y74 PolarHBondContact O-OH 3.34Å; R64-Y74 HydrophobicContact CB-CE1 3.99Å; Y74-C76 PolarHBondContact O-N 2.66Å
75S75.1Confident80.4Confident28 Ų2836.2 Ų36.220%0.19621%0.213CC..SBendtrans69.9-37.2176.2-41.50000117.6S58 M493 K494S58-S75 PolarHBondContact OG-OG 2.93Å; S75-M493 WeakPolarHBondContact O-CA 3.13Å; S75-M493 WeakPolarHBondContact OG-CE 3.45Å; S75-K494 CarbonylContact C-O 3.59Å; S75-K494 PolarHBondContact O-N 3.41Å
76C84.6Confident81.4Confident1 Ų134.7 Ų34.71%0.00720%0.203CC..SBendtrans-134.6169.7-167.771.80000114.5L55 Y74 C373 K494L55-C76 HydrophobicContact CB-CB 4.26Å; L55-C76 HydrophobicContact CD2-CB 3.73Å; Y74-C76 PolarHBondContact O-N 2.66Å; C76-C373 HydrophobicContact CB-CB 3.88Å; C76-C373 WeakPolarHBondContact CB-SG 3.34Å; C76-C373 VanDerWaalsContact SG-CA 3.51Å; C76-C373 WeakPolarHBondContact SG-CB 3.2Å; C76-C373 CovalentContact SG-SG 2.04Å; C76-C373 PolarHBondContact SG-SG 2.72Å; C76-K494 CarbonylContact C-O 3.45Å; C76-K494 VanDerWaalsContact C-O 3.27Å; C76-K494 WeakPolarHBondContact CA-O 3.25Å; C76-K494 PolarHBondContact N-O 3.09Å
77M88Confident82.5Confident1 Ų137.7 Ų37.71%0.00522%0.215CC..  trans-112139.2-178.2-55.2-160.7-61.100113D370 T372 C373 K494 A495 N496 A1352 G1356M77-D370 WeakPolarHBondContact CB-O 3.47Å; M77-T372 WeakPolarHBondContact CB-OG1 3.35Å; M77-T372 HydrophobicContact CE-CG2 3.74Å; M77-T372 PolarHBondContact N-OG1 3.24Å; M77-T372 PolarHBondContact O-N 2.96Å; M77-C373 VanDerWaalsContact C-SG 3.5Å; M77-C373 PolarHBondContact N-SG 3.17Å; M77-C373 VanDerWaalsContact N-SG 3.45Å; M77-C373 PolarHBondContact O-N 3.3Å; M77-C373 PolarHBondContact O-SG 2.95Å; M77-K494 HydrophobicContact CG-CB 4.09Å; M77-K494 HydrophobicContact SD-CB 4.43Å; M77-A495 VanDerWaalsContact SD-C 3.58Å; M77-N496 VanDerWaalsContact CA-OD1 3.25Å; M77-N496 WeakPolarHBondContact CA-OD1 3.49Å; M77-N496 WeakPolarHBondContact CB-OD1 3.41Å; M77-A1352 HydrophobicContact CE-CB 3.67Å; M77-G1356 WeakPolarHBondContact SD-CA 3.47Å
78I89.4Confident83.6Confident22 Ų2237.3 Ų37.311%0.11320%0.201CC..  trans-93.5133.3174.6-73178.1000109.7L59 F71 P73 I356 N359 N496L59-I78 HydrophobicContact CD1-CD1 3.78Å; L59-I78 HydrophobicContact CD1-CG1 3.83Å; F71-I78 HydrophobicContact CD1-CD1 4.3Å; P73-I78 VanDerWaalsContact CD-CD1 3.43Å; P73-I78 HydrophobicContact CG-CD1 3.97Å; P73-I78 HydrophobicContact CG-CG1 3.99Å; I78-I356 HydrophobicContact CD1-CD1 3.7Å; I78-N359 WeakPolarHBondContact CA-OD1 3.41Å; I78-N496 PolarHBondContact N-OD1 3.1Å; I78-N496 PolarHBondContact O-ND2 2.86Å
79H91.6Very high84.9Confident17 Ų1735.1 Ų35.18%0.07919%0.186CC..  trans-89.7144.2164.3174.372.7000109.9Y81 N359 F368 D370H79-Y81 HydrophobicContact CB-CE2 4.23Å; H79-Y81 AromaticContact CD2-CD2 3.65Å; H79-Y81 AromaticContact CD2-CE2 3.6Å; H79-Y81 AromaticContact CD2-CG 3.86Å; H79-Y81 AromaticContact CD2-CZ 3.75Å; H79-N359 PolarHBondContact N-OD1 3.45Å; H79-N359 PolarHBondContact O-ND2 3.33Å; H79-F368 HydrophobicContact CB-CB 4.48Å; H79-F368 AromaticContact CD2-CD2 3.37Å; H79-F368 WeakPolarHBondContact CD2-CD2 3.31Å; H79-F368 AromaticContact CD2-CE2 3.76Å; H79-F368 AromaticContact CE1-CD2 3.78Å; H79-F368 AromaticContact CE1-CG 3.85Å; H79-F368 AromaticContact CG-CD2 3.79Å; H79-F368 AromaticContact ND1-CG 3.99Å; H79-F368 AromaticContact NE2-CD2 3.37Å; H79-F368 WeakPolarHBondContact NE2-CD2 3.33Å; H79-F368 AromaticContact NE2-CE2 3.44Å; H79-F368 WeakPolarHBondContact NE2-CE2 3.12Å; H79-F368 AromaticContact NE2-CG 3.93Å; H79-D370 IonicContact CE1-OD1 3.72Å; H79-D370 IonicContact CE1-OD2 3.38Å; H79-D370 IonicContact CG-OD1 2.7Å; H79-D370 IonicContact CG-OD2 3.37Å; H79-D370 IonicContact ND1-OD1 3.46Å; H79-D370 PolarHBondContact ND1-OD1 3Å; H79-D370 IonicContact ND1-OD2 3.07Å; H79-D370 PolarHBondContact ND1-OD2 3.13Å
80T91.5Very high86Confident107 Ų10735.1 Ų35.166%0.65619%0.185SC*.  trans-95.999.3175.756.30000110.9
81Y92.6Very high86.3Confident9 Ų938.1 Ų38.14%0.03520%0.197CC..  trans-67.3139.4179.2-76-91.2000112.1H79 D85 H120 Q355 L358 C362 N363 M366 F368H79-Y81 HydrophobicContact CB-CE2 4.23Å; H79-Y81 AromaticContact CD2-CD2 3.65Å; H79-Y81 AromaticContact CD2-CE2 3.6Å; H79-Y81 AromaticContact CD2-CG 3.86Å; H79-Y81 AromaticContact CD2-CZ 3.75Å; Y81-D85 HydrophobicContact CD1-CB 4.16Å; Y81-H120 PolarHBondContact O-CE1 3.14Å; Y81-H120 PolarHBondContact O-NE2 3.03Å; Y81-Q355 PolarHBondContact O-NE2 3.41Å; Y81-Q355 VanDerWaalsContact O-NE2 3.1Å; Y81-L358 HydrophobicContact CD2-CB 3.69Å; Y81-L358 HydrophobicContact CE2-CB 4.21Å; Y81-L358 HydrophobicContact CG-CB 3.98Å; Y81-L358 HydrophobicContact CG-CD1 4.44Å; Y81-C362 HydrophobicContact CD1-CB 4.45Å; Y81-C362 HydrophobicContact CE1-CB 3.49Å; Y81-C362 VanDerWaalsContact CE1-CB 3.49Å; Y81-C362 HydrophobicContact CE2-CB 4.15Å; Y81-C362 WeakPolarHBondContact OH-CB 3.35Å; Y81-N363 WeakPolarHBondContact CE2-OD1 3.29Å; Y81-N363 PolarHBondContact OH-N 3.5Å; Y81-N363 PolarHBondContact OH-OD1 3.44Å; Y81-M366 HydrophobicContact CE1-CG 4.25Å; Y81-F368 HydrophobicContact CD1-CE2 4.31Å; Y81-F368 HydrophobicContact CE1-CD2 4.1Å; Y81-F368 AromaticContact CE1-CE2 3.7Å; Y81-F368 HydrophobicContact CE1-CE2 3.7Å
82S92.3Very high86.4Confident49 Ų4942.4 Ų42.434%0.34321%0.213SC..  trans-90.4168.7163.174.30000110.9G84 D85 S86S82-G84 VanDerWaalsContact C-N 3.33Å; S82-G84 PolarHBondContact O-N 2.86Å; S82-G84 PolarHBondContact OG-N 3.3Å; S82-D85 PolarHBondContact O-N 2.95Å; S82-D85 VanDerWaalsContact OG-CG 3.23Å; S82-D85 PolarHBondContact OG-N 2.93Å; S82-D85 PolarHBondContact OG-OD2 3.36Å; S82-S86 WeakPolarHBondContact O-CB 3.23Å; S82-S86 PolarHBondContact O-N 3.44Å; S82-S86 PolarHBondContact O-OG 3.08Å
83S88.2Confident86.7Confident19 Ų1940.3 Ų40.313%0.13321%0.207CC..Hα-helixtrans-51.6-53.3168.1158.90000110.6D85 S86 H87 H120 I121 D123S83-D85 VanDerWaalsContact C-N 3.28Å; S83-D85 PolarHBondContact O-N 3.38Å; S83-S86 WeakPolarHBondContact O-CB 3.35Å; S83-S86 PolarHBondContact O-N 3.3Å; S83-S86 VanDerWaalsContact O-N 3.1Å; S83-H87 PolarHBondContact O-N 2.79Å; S83-H120 WeakPolarHBondContact CA-O 3.5Å; S83-H120 WeakPolarHBondContact CB-O 3.3Å; S83-I121 PolarHBondContact OG-O 3.23Å; S83-D123 WeakPolarHBondContact CB-OD2 3.41Å
84G86Confident86.3Confident33 Ų3341.1 Ų41.134%0.3422%0.215SC..Hα-helixtrans-64.4-25.1-177.500000114.8S82 K88S82-G84 VanDerWaalsContact C-N 3.33Å; S82-G84 PolarHBondContact O-N 2.86Å; S82-G84 PolarHBondContact OG-N 3.3Å; G84-K88 VanDerWaalsContact O-CD 3.26Å; G84-K88 WeakPolarHBondContact O-CD 3.43Å; G84-K88 WeakPolarHBondContact O-CE 3.29Å; G84-K88 WeakPolarHBondContact O-CG 3.46Å; G84-K88 PolarHBondContact O-N 2.93Å
85D90.4Very high85.9Confident36 Ų3640.5 Ų40.519%0.19322%0.222CC..Hα-helixtrans-85.9-31.8173.6-59.6-49.2000112.2Y81 S82 S83 K88 C89 F368Y81-D85 HydrophobicContact CD1-CB 4.16Å; S82-D85 PolarHBondContact O-N 2.95Å; S82-D85 VanDerWaalsContact OG-CG 3.23Å; S82-D85 PolarHBondContact OG-N 2.93Å; S82-D85 PolarHBondContact OG-OD2 3.36Å; S83-D85 VanDerWaalsContact C-N 3.28Å; S83-D85 PolarHBondContact O-N 3.38Å; D85-K88 IonicContact OD1-NZ 3.99Å; D85-K88 PolarHBondContact OD1-NZ 2.89Å; D85-K88 VanDerWaalsContact OD1-NZ 3.09Å; D85-C89 WeakPolarHBondContact O-CB 3.28Å; D85-C89 PolarHBondContact O-N 3.22Å; D85-F368 HydrophobicContact CB-CE2 4.28Å; D85-F368 HydrophobicContact CB-CZ 4.08Å
86S90.4Very high84.9Confident0 Ų052.2 Ų52.20%026%0.262CS..Hα-helixtrans-63.6-45.4170.6-58.20000111.3S82 S83 K88 C89 L90 H120S82-S86 WeakPolarHBondContact O-CB 3.23Å; S82-S86 PolarHBondContact O-N 3.44Å; S82-S86 PolarHBondContact O-OG 3.08Å; S83-S86 WeakPolarHBondContact O-CB 3.35Å; S83-S86 PolarHBondContact O-N 3.3Å; S83-S86 VanDerWaalsContact O-N 3.1Å; S86-K88 PolarHBondContact O-N 2.92Å; S86-C89 WeakPolarHBondContact O-CB 3.34Å; S86-C89 PolarHBondContact O-N 3.2Å; S86-C89 VanDerWaalsContact O-N 3.15Å; S86-L90 VanDerWaalsContact O-CG 3.3Å; S86-L90 WeakPolarHBondContact O-CG 3.04Å; S86-L90 PolarHBondContact O-N 3.43Å; S86-H120 PolarHBondContact OG-NE2 3.15Å
87H86.5Confident83.4Confident67 Ų6754 Ų5431%0.3128%0.281SS..Hα-helixtrans-62.9-43.1178.3-151.8102.4000111.6S83 C89 L90 K91 A144S83-H87 PolarHBondContact O-N 2.79Å; H87-C89 VanDerWaalsContact C-N 3.34Å; H87-C89 PolarHBondContact O-N 2.68Å; H87-L90 PolarHBondContact O-N 3.3Å; H87-K91 PolarHBondContact O-N 3.12Å; H87-K91 VanDerWaalsContact O-N 3.11Å; H87-A144 PolarHBondContact CE1-O 2.92Å
88K87.1Confident82.4Confident112 Ų11260.3 Ų60.349%0.48732%0.315SS..Hα-helixtrans-63.4-35.7172.7-69.6166.5-154.7153.70113.1G84 D85 S86 R92 M366G84-K88 VanDerWaalsContact O-CD 3.26Å; G84-K88 WeakPolarHBondContact O-CD 3.43Å; G84-K88 WeakPolarHBondContact O-CE 3.29Å; G84-K88 WeakPolarHBondContact O-CG 3.46Å; G84-K88 PolarHBondContact O-N 2.93Å; D85-K88 IonicContact OD1-NZ 3.99Å; D85-K88 PolarHBondContact OD1-NZ 2.89Å; D85-K88 VanDerWaalsContact OD1-NZ 3.09Å; S86-K88 PolarHBondContact O-N 2.92Å; K88-R92 WeakPolarHBondContact O-CG 3.41Å; K88-R92 PolarHBondContact O-N 3.18Å; K88-M366 HydrophobicContact CB-CE 3.92Å
89C90.3Very high81.9Confident0 Ų061.8 Ų61.80%033%0.325CS..Hα-helixtrans-65.2-51.4174.3159.30000111.4D85 S86 H87 K91 R92 L93 C362 M366D85-C89 WeakPolarHBondContact O-CB 3.28Å; D85-C89 PolarHBondContact O-N 3.22Å; S86-C89 WeakPolarHBondContact O-CB 3.34Å; S86-C89 PolarHBondContact O-N 3.2Å; S86-C89 VanDerWaalsContact O-N 3.15Å; H87-C89 VanDerWaalsContact C-N 3.34Å; H87-C89 PolarHBondContact O-N 2.68Å; C89-K91 VanDerWaalsContact C-N 3.32Å; C89-K91 PolarHBondContact O-N 3.11Å; C89-R92 CarbonylContact O-C 3.54Å; C89-R92 WeakPolarHBondContact O-CA 3.28Å; C89-R92 WeakPolarHBondContact O-CB 3.44Å; C89-R92 PolarHBondContact O-N 3.44Å; C89-L93 PolarHBondContact O-N 3.05Å; C89-L93 VanDerWaalsContact O-N 3.11Å; C89-L93 VanDerWaalsContact SG-CD1 3.51Å; C89-C362 HydrophobicContact CB-CB 3.68Å; C89-C362 WeakPolarHBondContact CB-SG 3Å; C89-C362 WeakPolarHBondContact SG-CA 3.41Å; C89-C362 WeakPolarHBondContact SG-CB 3.45Å; C89-C362 CovalentContact SG-SG 2.01Å; C89-C362 PolarHBondContact SG-SG 3.36Å; C89-M366 HydrophobicContact CB-CG 3.87Å; C89-M366 HydrophobicContact CB-SD 4.11Å
90L88.2Confident81.7Confident2 Ų261 Ų611%0.0132%0.321CS..Hα-helixtrans-63-40.9-174.2-67.9161.8000110.4S86 H87 R92 L93 A94 V100 L102 I121 V147S86-L90 VanDerWaalsContact O-CG 3.3Å; S86-L90 WeakPolarHBondContact O-CG 3.04Å; S86-L90 PolarHBondContact O-N 3.43Å; H87-L90 PolarHBondContact O-N 3.3Å; L90-R92 PolarHBondContact O-N 2.78Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 PolarHBondContact O-N 3.17Å; L90-A94 PolarHBondContact O-N 2.91Å; L90-V100 HydrophobicContact CD2-CG1 4.19Å; L90-V100 WeakPolarHBondContact O-CG2 3.47Å; L90-L102 HydrophobicContact CD2-CD1 4.42Å; L90-I121 HydrophobicContact CD1-CD1 3.6Å; L90-I121 HydrophobicContact CD1-CG1 4.26Å; L90-V147 HydrophobicContact CB-CG2 3.69Å; L90-V147 HydrophobicContact CD1-CG1 4.25Å; L90-V147 HydrophobicContact CD1-CG2 4.02Å; L90-V147 HydrophobicContact CG-CG2 4.41Å
91K83.1Confident81.5Confident115 Ų11559.2 Ų59.250%0.530%0.303SS..Hα-helixtrans-52.2-37.2168.2-178.2176.7-168.287.80113.9H87 C89 E146H87-K91 PolarHBondContact O-N 3.12Å; H87-K91 VanDerWaalsContact O-N 3.11Å; C89-K91 VanDerWaalsContact C-N 3.32Å; C89-K91 PolarHBondContact O-N 3.11Å; K91-E146 WeakPolarHBondContact CD-OE2 3.5Å; K91-E146 WeakPolarHBondContact CG-OE2 3.46Å; K91-E146 IonicContact NZ-OE1 2.81Å; K91-E146 PolarHBondContact NZ-OE1 2.97Å; K91-E146 IonicContact NZ-OE2 2.8Å; K91-E146 PolarHBondContact NZ-OE2 3.38Å
92R84.3Confident81.4Confident100 Ų10058.8 Ų58.838%0.37730%0.301SS..Hα-helixtrans-80.3-13.1177.1-69.3-179.6-176.5-1754.3114.3K88 C89 L90 Q365K88-R92 WeakPolarHBondContact O-CG 3.41Å; K88-R92 PolarHBondContact O-N 3.18Å; C89-R92 CarbonylContact O-C 3.54Å; C89-R92 WeakPolarHBondContact O-CA 3.28Å; C89-R92 WeakPolarHBondContact O-CB 3.44Å; C89-R92 PolarHBondContact O-N 3.44Å; L90-R92 PolarHBondContact O-N 2.78Å; R92-Q365 HydrophobicContact CB-CB 4.35Å; R92-Q365 PolarHBondContact NH1-O 3.1Å
93L85.2Confident81.4Confident21 Ų2156.5 Ų56.511%0.1129%0.285CS..Hα-helixtrans-91.4-4.4178-75.7169.7000112.9C89 L90 P95 V100 Q365C89-L93 PolarHBondContact O-N 3.05Å; C89-L93 VanDerWaalsContact O-N 3.11Å; C89-L93 VanDerWaalsContact SG-CD1 3.51Å; L90-L93 HydrophobicContact CD2-CD1 4.39Å; L90-L93 PolarHBondContact O-N 3.17Å; L93-P95 WeakPolarHBondContact O-CD 3.43Å; L93-V100 HydrophobicContact CB-CG2 3.73Å; L93-Q365 HydrophobicContact CD2-CG 3.71Å; L93-Q365 HydrophobicContact CG-CG 4.23Å
94A76.2Confident81.8Confident28 Ų2855.6 Ų55.623%0.23128%0.278CS..  trans-70.8110.3179.400000111.4L90 W96 V100L90-A94 PolarHBondContact O-N 2.91Å; A94-W96 PolarHBondContact O-N 3.04Å; A94-V100 HydrophobicContact CB-CG2 4.06Å; A94-V100 VanDerWaalsContact N-CG2 3.34Å
95P63.6Low82.2Confident84 Ų8454.1 Ų54.155%0.54526%0.263SS..  trans-88.9106.6-174.2-0.420.6000111.1L93 G97 T193L93-P95 WeakPolarHBondContact O-CD 3.43Å; P95-G97 PolarHBondContact O-N 3.16Å; P95-T193 HydrophobicContact CG-CG2 4.1Å
96W53.8Low82.3Confident273 Ų27352.4 Ų52.4100%1.03425%0.253SS*.SBendtrans51.922.6174.7-69-37.9000116.6A94A94-W96 PolarHBondContact O-N 3.04Å
97G52.1Low82.4Confident39 Ų3952.4 Ų52.440%0.40225%0.254SS..SBendtrans-168.9148.1170.500000109.4P95 V99P95-G97 PolarHBondContact O-N 3.16Å; G97-V99 PolarHBondContact O-N 2.89Å
98D68.6Low82.6Confident133 Ų13350.7 Ų50.771%0.71125%0.249SC*.SBendtrans-71.813-154.5-51.4-72.8000117.2E146D98-E146 WeakPolarHBondContact O-CB 3.42Å
99V77.9Confident82.9Confident54 Ų5445.6 Ų45.633%0.32723%0.227SC..  trans-136.1121.8-172.6-173.50000112.6G97 R101 E146 D148G97-V99 PolarHBondContact O-N 2.89Å; V99-R101 HydrophobicContact CG1-CG 4.33Å; V99-E146 WeakPolarHBondContact CA-O 3.43Å; V99-D148 HydrophobicContact CG1-CB 3.71Å
100V86.8Confident83.1Confident0 Ų045.7 Ų45.70%023%0.227CC..EExtended strand (participates in β ladder)trans-78130.5163.9166.30000110.2L90 L93 A94 L102 E146 D148L90-V100 HydrophobicContact CD2-CG1 4.19Å; L90-V100 WeakPolarHBondContact O-CG2 3.47Å; L93-V100 HydrophobicContact CB-CG2 3.73Å; A94-V100 HydrophobicContact CB-CG2 4.06Å; A94-V100 VanDerWaalsContact N-CG2 3.34Å; V100-L102 HydrophobicContact CG1-CD1 3.38Å; V100-E146 PolarHBondContact N-O 3.13Å; V100-D148 PolarHBondContact O-N 3.29Å
101R88.1Confident83.3Confident70 Ų7047.5 Ų47.526%0.26424%0.235SC..EExtended strand (participates in β ladder)trans-111.399.8179.5-48.2-169.5-145.6120.5-0.2109.3V99 Y103 D148 S190 T191 T193 H194V99-R101 HydrophobicContact CG1-CG 4.33Å; R101-Y103 HydrophobicContact CB-CE1 3.96Å; R101-D148 WeakPolarHBondContact CA-O 3.47Å; R101-D148 HydrophobicContact CG-CB 4.45Å; R101-S190 VanDerWaalsContact CD-OG 3.31Å; R101-S190 WeakPolarHBondContact CD-OG 3.33Å; R101-T191 WeakPolarHBondContact CD-O 2.77Å; R101-T191 PolarHBondContact NH1-O 3.41Å; R101-T191 PolarHBondContact NH1-OG1 2.68Å; R101-T193 PolarHBondContact N-OG1 3.29Å; R101-T193 PolarHBondContact O-N 2.87Å; R101-T193 PolarHBondContact O-OG1 3.45Å; R101-H194 PolarHBondContact O-N 3.1Å
102L91.1Very high83.7Confident0 Ų044.5 Ų44.50%022%0.222CC..EExtended strand (participates in β ladder)trans-101.8107.2178.5-114.679.5000109L90 V100 F104 F117 D148 L149 R150 H194 Y361L90-L102 HydrophobicContact CD2-CD1 4.42Å; V100-L102 HydrophobicContact CG1-CD1 3.38Å; L102-F104 HydrophobicContact CD2-CE2 4.45Å; L102-F117 HydrophobicContact CD2-CE1 3.66Å; L102-F117 HydrophobicContact CD2-CE2 4.38Å; L102-F117 HydrophobicContact CD2-CZ 3.55Å; L102-D148 PolarHBondContact N-O 3.29Å; L102-L149 HydrophobicContact CB-CD2 3.64Å; L102-L149 HydrophobicContact CB-CG 4.48Å; L102-L149 HydrophobicContact CD2-CD2 4.24Å; L102-R150 PolarHBondContact O-N 3.46Å; L102-R150 VanDerWaalsContact O-N 3.15Å; L102-H194 HydrophobicContact CD1-CB 3.62Å; L102-H194 HydrophobicContact CG-CB 3.89Å; L102-Y361 HydrophobicContact CD2-CE2 4.37Å
103Y92.6Very high84.2Confident0 Ų039.8 Ų39.80%020%0.204CC..EExtended strand (participates in β ladder)trans-107.4137.8-178.8-64.2-7.3000111.7R101 R150 F152 W168 S190 P192 H194 L195 I196R101-Y103 HydrophobicContact CB-CE1 3.96Å; Y103-R150 WeakPolarHBondContact CA-O 3.29Å; Y103-R150 HydrophobicContact CD1-CB 3.62Å; Y103-R150 HydrophobicContact CD1-CG 3.92Å; Y103-R150 HydrophobicContact CE1-CB 3.84Å; Y103-R150 HydrophobicContact CE1-CG 3.6Å; Y103-R150 HydrophobicContact CG-CB 4.35Å; Y103-F152 HydrophobicContact CD1-CE2 4.36Å; Y103-F152 AromaticContact CD2-CE2 3.78Å; Y103-F152 HydrophobicContact CD2-CE2 3.78Å; Y103-F152 HydrophobicContact CD2-CZ 4.31Å; Y103-F152 HydrophobicContact CE2-CE2 4.32Å; Y103-F152 HydrophobicContact CE2-CZ 4.43Å; Y103-F152 AromaticContact CG-CE2 3.83Å; Y103-F152 HydrophobicContact CG-CE2 3.83Å; Y103-W168 HydrophobicContact CD2-CH2 4.29Å; Y103-W168 AromaticContact CD2-CZ2 3.75Å; Y103-W168 HydrophobicContact CD2-CZ2 3.75Å; Y103-W168 HydrophobicContact CE2-CZ2 4.33Å; Y103-S190 WeakPolarHBondContact CE2-O 3.49Å; Y103-S190 VanDerWaalsContact CZ-O 3.29Å; Y103-S190 PolarHBondContact OH-O 3.22Å; Y103-S190 PolarHBondContact OH-OG 2.82Å; Y103-P192 HydrophobicContact CD2-CB 3.6Å; Y103-P192 HydrophobicContact CD2-CG 4.02Å; Y103-P192 HydrophobicContact CE2-CB 4.15Å; Y103-P192 HydrophobicContact CE2-CG 4.49Å; Y103-P192 HydrophobicContact CG-CB 3.97Å; Y103-H194 PolarHBondContact N-O 2.97Å; Y103-L195 WeakPolarHBondContact O-CA 3.43Å; Y103-I196 PolarHBondContact O-N 3.12Å
104F95Very high84.6Confident0 Ų038.9 Ų38.90%020%0.199CC..EExtended strand (participates in β ladder)trans-115.1130.4175.8-68.5-110.2000108.5L102 L110 L113 F114 F117 L149 R150 F151 F152 I196 L357L102-F104 HydrophobicContact CD2-CE2 4.45Å; F104-L110 HydrophobicContact CB-CD2 4.18Å; F104-L110 HydrophobicContact CD1-CD1 4.13Å; F104-L110 HydrophobicContact CD1-CD2 4.43Å; F104-L110 HydrophobicContact CD1-CG 4.14Å; F104-L113 HydrophobicContact CE1-CD2 4.44Å; F104-L113 HydrophobicContact CE1-CG 4.33Å; F104-F114 HydrophobicContact CB-CD2 4.44Å; F104-F114 HydrophobicContact CD1-CB 4.22Å; F104-F114 AromaticContact CD2-CD2 3.66Å; F104-F114 HydrophobicContact CD2-CD2 3.66Å; F104-F114 HydrophobicContact CD2-CE2 4.45Å; F104-F114 HydrophobicContact CE2-CD2 4.02Å; F104-F114 HydrophobicContact CG-CB 4.24Å; F104-F114 HydrophobicContact CG-CD2 4.08Å; F104-F117 HydrophobicContact CZ-CB 4.39Å; F104-F117 HydrophobicContact CZ-CG 4.27Å; F104-L149 HydrophobicContact CE2-CD2 3.95Å; F104-R150 PolarHBondContact N-O 3.38Å; F104-F151 HydrophobicContact CB-CD2 3.56Å; F104-F151 HydrophobicContact CB-CE2 4.08Å; F104-F151 HydrophobicContact CB-CG 4.47Å; F104-F151 CarbonylContact O-C 3.5Å; F104-F151 WeakPolarHBondContact O-CA 3.2Å; F104-F152 PolarHBondContact O-N 3.39Å; F104-I196 CarbonylContact C-O 3.57Å; F104-I196 WeakPolarHBondContact CA-O 3.46Å; F104-I196 HydrophobicContact CD1-CB 4.06Å; F104-I196 HydrophobicContact CD1-CD1 4.07Å; F104-I196 HydrophobicContact CD1-CG2 4.19Å; F104-I196 HydrophobicContact CE1-CB 4.33Å; F104-I196 HydrophobicContact CE1-CD1 3.53Å; F104-I196 HydrophobicContact CE1-CG2 4.36Å; F104-I196 HydrophobicContact CE2-CD1 4.02Å; F104-I196 HydrophobicContact CG-CB 4.46Å; F104-I196 HydrophobicContact CZ-CD1 3.51Å; F104-L357 HydrophobicContact CE1-CD1 4.33Å; F104-L357 HydrophobicContact CZ-CD1 4.37Å
105V94.4Very high85.3Confident2 Ų241.7 Ų41.71%0.01221%0.211CC..EExtended strand (participates in β ladder)trans-128.9115.5179.1-171.70000109.2L110 F152 H154 T161 L164 W168 L195 I196 I197 S198 M199V105-L110 VanDerWaalsContact O-CD2 3.28Å; V105-L110 WeakPolarHBondContact O-CD2 3.35Å; V105-F152 WeakPolarHBondContact CA-O 3.19Å; V105-F152 HydrophobicContact CG1-CB 4.42Å; V105-F152 HydrophobicContact CG2-CB 4.29Å; V105-F152 HydrophobicContact CG2-CD2 4.22Å; V105-H154 HydrophobicContact CG1-CB 4.46Å; V105-T161 HydrophobicContact CG1-CG2 4.45Å; V105-L164 HydrophobicContact CG1-CD2 4.31Å; V105-L164 HydrophobicContact CG2-CD2 4.47Å; V105-W168 HydrophobicContact CG2-CH2 3.85Å; V105-L195 HydrophobicContact CG2-CD1 3.79Å; V105-I196 PolarHBondContact N-O 3.08Å; V105-I197 WeakPolarHBondContact O-CA 3.42Å; V105-S198 PolarHBondContact O-N 3.44Å; V105-M199 HydrophobicContact CG1-CE 3.92Å
106G94.2Very high86.6Confident0 Ų038.6 Ų38.60%019%0.192CC..EExtended strand (participates in β ladder)trans168.9-167.8-173.600000116.9F151 F152 H154 S198G106-F151 WeakPolarHBondContact O-CZ 3.02Å; G106-F152 PolarHBondContact N-O 3.4Å; G106-F152 VanDerWaalsContact N-O 3.14Å; G106-H154 CarbonylContact C-O 3.16Å; G106-H154 WeakPolarHBondContact CA-O 3.29Å; G106-H154 PolarHBondContact O-N 3.09Å; G106-S198 WeakPolarHBondContact CA-O 3.35Å
107D91.7Very high88.4Confident1 Ų125.7 Ų25.71%0.00514%0.143CC..  trans-81.3-177.3-178.465.836000113.6R109 L110 K111 H154 S198 T201 Q241D107-R109 PolarHBondContact O-N 2.95Å; D107-R109 VanDerWaalsContact OD1-CA 3.29Å; D107-R109 WeakPolarHBondContact OD1-CA 3.26Å; D107-R109 WeakPolarHBondContact OD1-CB 3.49Å; D107-R109 WeakPolarHBondContact OD1-CG 3.44Å; D107-R109 PolarHBondContact OD1-N 3.42Å; D107-L110 PolarHBondContact O-N 3.18Å; D107-L110 PolarHBondContact OD1-N 3.04Å; D107-L110 VanDerWaalsContact OD1-N 3.1Å; D107-K111 PolarHBondContact O-N 3.49Å; D107-H154 PolarHBondContact N-O 3.44Å; D107-S198 PolarHBondContact N-O 2.64Å; D107-T201 PolarHBondContact OD2-OG1 3.3Å; D107-Q241 PolarHBondContact OD2-NE2 3.2Å
108S90.7Very high90.2Very high31 Ų3124.8 Ų24.822%0.21713%0.13CC..Hα-helixtrans-58.7-24.3176.951.70000114.9K111 K112 H344S108-K111 PolarHBondContact O-N 3.05Å; S108-K112 PolarHBondContact O-N 3.4Å; S108-K112 VanDerWaalsContact O-N 3.09Å; S108-H344 WeakPolarHBondContact CB-NE2 3.34Å; S108-H344 PolarHBondContact OG-NE2 3.27Å
109R92.2Very high91.1Very high5 Ų524.7 Ų24.72%0.01912%0.121CC..Hα-helixtrans-76.6-40.2178-40.2177.984.2-152.92110.1D107 K112 L113 D242 P243 Y343D107-R109 PolarHBondContact O-N 2.95Å; D107-R109 VanDerWaalsContact OD1-CA 3.29Å; D107-R109 WeakPolarHBondContact OD1-CA 3.26Å; D107-R109 WeakPolarHBondContact OD1-CB 3.49Å; D107-R109 WeakPolarHBondContact OD1-CG 3.44Å; D107-R109 PolarHBondContact OD1-N 3.42Å; R109-K112 WeakPolarHBondContact O-CB 3.44Å; R109-K112 PolarHBondContact O-N 3.46Å; R109-L113 PolarHBondContact O-N 2.87Å; R109-D242 PolarHBondContact NH1-O 3.3Å; R109-D242 PolarHBondContact NH2-O 3.32Å; R109-P243 PolarHBondContact NH2-O 2.04Å; R109-Y343 HydrophobicContact CG-CD1 4.26Å; R109-Y343 HydrophobicContact CG-CE1 3.5Å; R109-Y343 VanDerWaalsContact CG-CE1 3.5Å; R109-Y343 PolarHBondContact NE-O 2.93Å; R109-Y343 PolarHBondContact NH2-O 2.81Å
110L94.5Very high91.7Very high2 Ų222.9 Ų22.91%0.0111%0.109CC..Hα-helixtrans-68-35.3169-167.869000111.7F104 V105 D107 K112 L113 F114 F151 I196 M239F104-L110 HydrophobicContact CB-CD2 4.18Å; F104-L110 HydrophobicContact CD1-CD1 4.13Å; F104-L110 HydrophobicContact CD1-CD2 4.43Å; F104-L110 HydrophobicContact CD1-CG 4.14Å; V105-L110 VanDerWaalsContact O-CD2 3.28Å; V105-L110 WeakPolarHBondContact O-CD2 3.35Å; D107-L110 PolarHBondContact O-N 3.18Å; D107-L110 PolarHBondContact OD1-N 3.04Å; D107-L110 VanDerWaalsContact OD1-N 3.1Å; L110-K112 VanDerWaalsContact C-N 3.26Å; L110-K112 PolarHBondContact O-N 2.77Å; L110-L113 HydrophobicContact CD1-CD2 4.22Å; L110-L113 WeakPolarHBondContact O-CA 3.37Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 3.39Å; L110-F114 PolarHBondContact O-N 3.29Å; L110-F151 HydrophobicContact CB-CE2 4.16Å; L110-F151 HydrophobicContact CD2-CE2 4.27Å; L110-F151 HydrophobicContact CG-CE2 4.12Å; L110-I196 HydrophobicContact CD1-CG2 4Å; L110-M239 HydrophobicContact CD1-SD 3.94Å
111K92.7Very high91.7Very high40 Ų4023 Ų2317%0.17411%0.109CC..Hα-helixtrans-59.9-36174.4-162.5167.6-178.4170.10112D107 S108 L113 F114 N115 F151 Y153D107-K111 PolarHBondContact O-N 3.49Å; S108-K111 PolarHBondContact O-N 3.05Å; K111-L113 PolarHBondContact O-N 3.4Å; K111-F114 PolarHBondContact O-N 2.78Å; K111-N115 VanDerWaalsContact O-CG 3.3Å; K111-N115 PolarHBondContact O-N 3.1Å; K111-N115 PolarHBondContact O-OD1 3.18Å; K111-F151 VanDerWaalsContact CA-CE2 3.41Å; K111-F151 HydrophobicContact CB-CD2 4.38Å; K111-F151 HydrophobicContact CB-CE1 3.93Å; K111-F151 HydrophobicContact CB-CE2 3.81Å; K111-F151 HydrophobicContact CB-CZ 3.56Å; K111-F151 HydrophobicContact CD-CD1 4.15Å; K111-F151 HydrophobicContact CD-CE1 3.93Å; K111-F151 HydrophobicContact CD-CZ 4.44Å; K111-F151 HydrophobicContact CG-CD1 4.1Å; K111-F151 HydrophobicContact CG-CD2 4.42Å; K111-F151 HydrophobicContact CG-CE1 3.95Å; K111-F151 HydrophobicContact CG-CE2 4.3Å; K111-F151 HydrophobicContact CG-CG 4.36Å; K111-F151 HydrophobicContact CG-CZ 4.07Å; K111-F151 VanDerWaalsContact N-CE2 3.34Å; K111-Y153 HydrophobicContact CD-CD2 4.18Å
112K91.8Very high91.2Very high52 Ų5222 Ų2223%0.22611%0.109CC..Hα-helixtrans-60.3-39.6170.7-109-119.9-176.5-176.80113S108 R109 L110 A116 H344 V345 D347 M350S108-K112 PolarHBondContact O-N 3.4Å; S108-K112 VanDerWaalsContact O-N 3.09Å; R109-K112 WeakPolarHBondContact O-CB 3.44Å; R109-K112 PolarHBondContact O-N 3.46Å; L110-K112 VanDerWaalsContact C-N 3.26Å; L110-K112 PolarHBondContact O-N 2.77Å; K112-A116 PolarHBondContact O-N 3.2Å; K112-H344 HydrophobicContact CD-CB 4.33Å; K112-V345 PolarHBondContact NZ-O 2.94Å; K112-D347 WeakPolarHBondContact CE-OD1 3.46Å; K112-D347 IonicContact NZ-OD1 3.39Å; K112-D347 PolarHBondContact NZ-OD1 3.25Å; K112-D347 IonicContact NZ-OD2 2.71Å; K112-D347 PolarHBondContact NZ-OD2 2.95Å; K112-M350 HydrophobicContact CD-CG 4.46Å
113L94.4Very high90Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-68.9-43.1175.6-178.658.1000112F104 R109 L110 K111 N115 A116 F117 M239 W281 M350 N353 V354 L357F104-L113 HydrophobicContact CE1-CD2 4.44Å; F104-L113 HydrophobicContact CE1-CG 4.33Å; R109-L113 PolarHBondContact O-N 2.87Å; L110-L113 HydrophobicContact CD1-CD2 4.22Å; L110-L113 WeakPolarHBondContact O-CA 3.37Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 3.39Å; K111-L113 PolarHBondContact O-N 3.4Å; L113-N115 PolarHBondContact O-N 3.25Å; L113-A116 PolarHBondContact O-N 3.47Å; L113-F117 WeakPolarHBondContact O-CB 3.5Å; L113-F117 PolarHBondContact O-N 3.05Å; L113-M239 HydrophobicContact CD2-SD 3.75Å; L113-W281 HydrophobicContact CD2-CH2 3.8Å; L113-W281 HydrophobicContact CD2-CZ3 3.68Å; L113-M350 HydrophobicContact CB-SD 3.67Å; L113-M350 HydrophobicContact CD1-SD 3.86Å; L113-M350 HydrophobicContact CG-SD 4.32Å; L113-N353 HydrophobicContact CD1-CB 3.61Å; L113-V354 HydrophobicContact CD1-CG2 3.91Å; L113-L357 HydrophobicContact CD2-CD1 4.09Å
114F93.7Very high88.2Confident2 Ų236 Ų361%0.00918%0.178CC..Hα-helixtrans-56.8-49174.7169.5-96.7000111.7F104 L110 K111 A116 F117 V118 F140 L149 F151F104-F114 HydrophobicContact CB-CD2 4.44Å; F104-F114 HydrophobicContact CD1-CB 4.22Å; F104-F114 AromaticContact CD2-CD2 3.66Å; F104-F114 HydrophobicContact CD2-CD2 3.66Å; F104-F114 HydrophobicContact CD2-CE2 4.45Å; F104-F114 HydrophobicContact CE2-CD2 4.02Å; F104-F114 HydrophobicContact CG-CB 4.24Å; F104-F114 HydrophobicContact CG-CD2 4.08Å; L110-F114 PolarHBondContact O-N 3.29Å; K111-F114 PolarHBondContact O-N 2.78Å; F114-A116 VanDerWaalsContact C-N 3.31Å; F114-A116 PolarHBondContact O-N 3.13Å; F114-F117 WeakPolarHBondContact O-CB 3.15Å; F114-F117 PolarHBondContact O-N 3.36Å; F114-F117 VanDerWaalsContact O-N 3.07Å; F114-V118 HydrophobicContact CE1-CG2 4.14Å; F114-V118 HydrophobicContact CE2-CG2 4.19Å; F114-V118 HydrophobicContact CZ-CG2 3.97Å; F114-V118 WeakPolarHBondContact O-CG2 3.42Å; F114-V118 PolarHBondContact O-N 3.5Å; F114-F140 HydrophobicContact CE1-CB 4.15Å; F114-F140 HydrophobicContact CE1-CD1 4.07Å; F114-F140 HydrophobicContact CE1-CG 4.36Å; F114-F140 HydrophobicContact CZ-CB 4.44Å; F114-F140 HydrophobicContact CZ-CD1 4.46Å; F114-L149 HydrophobicContact CE2-CB 4.03Å; F114-F151 HydrophobicContact CB-CD2 3.69Å; F114-F151 HydrophobicContact CB-CE2 4.43Å; F114-F151 HydrophobicContact CB-CG 4.45Å; F114-F151 HydrophobicContact CD1-CB 3.83Å; F114-F151 HydrophobicContact CD1-CD2 4.33Å; F114-F151 HydrophobicContact CD1-CG 4.28Å; F114-F151 HydrophobicContact CD2-CB 3.86Å; F114-F151 HydrophobicContact CD2-CD2 4.35Å; F114-F151 HydrophobicContact CE1-CB 3.87Å; F114-F151 HydrophobicContact CE2-CB 3.88Å; F114-F151 HydrophobicContact CG-CB 3.83Å; F114-F151 AromaticContact CG-CD2 3.89Å; F114-F151 HydrophobicContact CG-CD2 3.89Å; F114-F151 HydrophobicContact CG-CG 4.2Å; F114-F151 HydrophobicContact CZ-CB 3.89Å
115N90.9Very high86.1Confident87 Ų8739.5 Ų39.547%0.46520%0.199SC..Hα-helixtrans-58.2-42.6176.9-70.61000112K111 L113 F117 V118 Y119K111-N115 VanDerWaalsContact O-CG 3.3Å; K111-N115 PolarHBondContact O-N 3.1Å; K111-N115 PolarHBondContact O-OD1 3.18Å; L113-N115 PolarHBondContact O-N 3.25Å; N115-F117 VanDerWaalsContact C-N 3.33Å; N115-F117 PolarHBondContact O-N 2.95Å; N115-V118 PolarHBondContact O-N 3.41Å; N115-Y119 WeakPolarHBondContact O-CB 3.44Å; N115-Y119 PolarHBondContact O-N 3.27Å
116A91.3Very high83.3Confident19 Ų1946 Ų4616%0.15724%0.238CC..Hα-helixtrans-67.1-31.6176.500000113.1K112 L113 F114 H120 M350 V354K112-A116 PolarHBondContact O-N 3.2Å; L113-A116 PolarHBondContact O-N 3.47Å; F114-A116 VanDerWaalsContact C-N 3.31Å; F114-A116 PolarHBondContact O-N 3.13Å; A116-H120 PolarHBondContact O-N 3.24Å; A116-H120 VanDerWaalsContact O-N 3.1Å; A116-M350 HydrophobicContact CB-CB 3.78Å; A116-V354 HydrophobicContact CB-CG2 3.98Å
117F92.5Very high80.3Confident2 Ų248.4 Ų48.41%0.00926%0.264CS..Hα-helixtrans-70.6-44.9176.2-164.6-89.3000111.3L102 F104 L113 F114 N115 H120 I121 L149 V354 L357 L358L102-F117 HydrophobicContact CD2-CE1 3.66Å; L102-F117 HydrophobicContact CD2-CE2 4.38Å; L102-F117 HydrophobicContact CD2-CZ 3.55Å; F104-F117 HydrophobicContact CZ-CB 4.39Å; F104-F117 HydrophobicContact CZ-CG 4.27Å; L113-F117 WeakPolarHBondContact O-CB 3.5Å; L113-F117 PolarHBondContact O-N 3.05Å; F114-F117 WeakPolarHBondContact O-CB 3.15Å; F114-F117 PolarHBondContact O-N 3.36Å; F114-F117 VanDerWaalsContact O-N 3.07Å; N115-F117 VanDerWaalsContact C-N 3.33Å; N115-F117 PolarHBondContact O-N 2.95Å; F117-H120 PolarHBondContact O-N 2.65Å; F117-I121 HydrophobicContact CD1-CD1 3.74Å; F117-I121 HydrophobicContact CE1-CD1 3.41Å; F117-I121 VanDerWaalsContact CE1-CD1 3.41Å; F117-I121 HydrophobicContact CZ-CD1 4.25Å; F117-I121 PolarHBondContact O-N 2.89Å; F117-L149 HydrophobicContact CD1-CD1 4.11Å; F117-L149 HydrophobicContact CD1-CD2 3.7Å; F117-L149 HydrophobicContact CE1-CD1 4.25Å; F117-L149 HydrophobicContact CE1-CD2 3.78Å; F117-V354 HydrophobicContact CB-CG2 4.03Å; F117-V354 HydrophobicContact CD2-CB 4.41Å; F117-V354 HydrophobicContact CD2-CG1 3.86Å; F117-V354 HydrophobicContact CD2-CG2 4.15Å; F117-V354 HydrophobicContact CE2-CG1 4.42Å; F117-L357 HydrophobicContact CD2-CD1 4.23Å; F117-L357 HydrophobicContact CE2-CB 4.2Å; F117-L357 HydrophobicContact CE2-CD1 4.39Å; F117-L358 HydrophobicContact CE2-CD2 4.18Å; F117-L358 HydrophobicContact CE2-CG 4.23Å; F117-L358 HydrophobicContact CZ-CD2 4.21Å
118V89.5Confident77.4Confident21 Ų2156.6 Ų56.613%0.12730%0.302CS..Hα-helixtrans-58.9-48.1173.1171.90000110.9F114 N115 H120 I121 N122 H142 L149F114-V118 HydrophobicContact CE1-CG2 4.14Å; F114-V118 HydrophobicContact CE2-CG2 4.19Å; F114-V118 HydrophobicContact CZ-CG2 3.97Å; F114-V118 WeakPolarHBondContact O-CG2 3.42Å; F114-V118 PolarHBondContact O-N 3.5Å; N115-V118 PolarHBondContact O-N 3.41Å; V118-H120 VanDerWaalsContact C-N 3.25Å; V118-H120 PolarHBondContact O-N 3.17Å; V118-I121 PolarHBondContact O-N 3.19Å; V118-I121 VanDerWaalsContact O-N 3.12Å; V118-N122 PolarHBondContact O-N 2.8Å; V118-H142 HydrophobicContact CG2-CB 4.39Å; V118-L149 HydrophobicContact CG2-CD1 4.32Å
119Y87.9Confident74.5Confident130 Ų13062.6 Ų62.651%0.5133%0.332SS..Hα-helixtrans-63.2-26.6177.5-176.2-94.8000113.6N115 V125N115-Y119 WeakPolarHBondContact O-CB 3.44Å; N115-Y119 PolarHBondContact O-N 3.27Å; Y119-V125 HydrophobicContact CD2-CB 4.37Å
120H90Very high71.6Confident16 Ų1667.9 Ų67.97%0.07437%0.365CS..Hα-helixtrans-78.5-24.3175.2-174.755000113.6Y81 S83 S86 A116 F117 V118 V354 Q355 L358Y81-H120 PolarHBondContact O-CE1 3.14Å; Y81-H120 PolarHBondContact O-NE2 3.03Å; S83-H120 WeakPolarHBondContact CA-O 3.5Å; S83-H120 WeakPolarHBondContact CB-O 3.3Å; S86-H120 PolarHBondContact OG-NE2 3.15Å; A116-H120 PolarHBondContact O-N 3.24Å; A116-H120 VanDerWaalsContact O-N 3.1Å; F117-H120 PolarHBondContact O-N 2.65Å; V118-H120 VanDerWaalsContact C-N 3.25Å; V118-H120 PolarHBondContact O-N 3.17Å; H120-V354 HydrophobicContact CB-CG1 3.84Å; H120-Q355 PolarHBondContact CE1-NE2 3Å; H120-Q355 PolarHBondContact NE2-NE2 3.26Å; H120-L358 WeakPolarHBondContact CD2-CD1 3.31Å
121I86.7Confident68.3Low3 Ų373 Ų732%0.01540%0.396CS..Hα-helixtrans-84-45.8177.3-69.6167.3000110.1S83 L90 F117 V118 L149S83-I121 PolarHBondContact OG-O 3.23Å; L90-I121 HydrophobicContact CD1-CD1 3.6Å; L90-I121 HydrophobicContact CD1-CG1 4.26Å; F117-I121 HydrophobicContact CD1-CD1 3.74Å; F117-I121 HydrophobicContact CE1-CD1 3.41Å; F117-I121 VanDerWaalsContact CE1-CD1 3.41Å; F117-I121 HydrophobicContact CZ-CD1 4.25Å; F117-I121 PolarHBondContact O-N 2.89Å; V118-I121 PolarHBondContact O-N 3.19Å; V118-I121 VanDerWaalsContact O-N 3.12Å; I121-L149 HydrophobicContact CD1-CD1 3.79Å
122N78.4Confident65.4Low50 Ų5075.9 Ų75.927%0.26742%0.421SS..  trans-98.394.5175.6-77.6-8.8000111.7V118 E124 V125 H142V118-N122 PolarHBondContact O-N 2.8Å; N122-E124 PolarHBondContact O-N 2.83Å; N122-E124 VanDerWaalsContact O-N 3.12Å; N122-V125 HydrophobicContact CB-CG2 3.9Å; N122-H142 PolarHBondContact ND2-CE1 2.9Å; N122-H142 PolarHBondContact ND2-NE2 3.23Å
123D65.8Low62.4Low109 Ų10981.5 Ų81.558%0.58345%0.448SS*.THydrogen-bonded Turntrans-60.5-14.4167.7-80.4-35.7000112.5S83S83-D123 WeakPolarHBondContact CB-OD2 3.41Å
124E53.2Low59.7Low184 Ų18483.9 Ų83.986%0.8647%0.468SS*.THydrogen-bonded Turntrans-90.89-176.4-63.5-165.1147.500115.7N122 V126N122-E124 PolarHBondContact O-N 2.83Å; N122-E124 VanDerWaalsContact O-N 3.12Å; E124-V126 PolarHBondContact O-N 2.89Å
125V52.2Low57Low74 Ų7488 Ų8845%0.44850%0.497SS..  trans-76.569.8172.4-169.10000110.6Y119 N122Y119-V125 HydrophobicContact CD2-CB 4.37Å; N122-V125 HydrophobicContact CB-CG2 3.9Å
126V34.4Very low54.5Low137 Ų13790.5 Ų90.583%0.8351%0.509SS*.  trans-106.791.3175.5-179.40000108.7E124E124-V126 PolarHBondContact O-N 2.89Å
127G32.7Very low52.3Low52 Ų5295.7 Ų95.754%0.53653%0.533SS..  trans167.5123.5173.900000113.4N129G127-N129 PolarHBondContact O-N 3.31Å; G127-N129 VanDerWaalsContact O-N 3.07Å
128E29.4Very low50.5Low173 Ų173100.8 Ų100.881%0.80856%0.561SS**SBendtrans-70.72179.9-69.6170.78900114T130 T131E128-T130 PolarHBondContact O-N 2.96Å; E128-T131 PolarHBondContact O-N 2.86Å
129N29.6Very low49.1Very low157 Ų157103 Ų10384%0.8457%0.572SS**THydrogen-bonded Turntrans-78.836.3-173.9-65.4-0.8000114.2G127G127-N129 PolarHBondContact O-N 3.31Å; G127-N129 VanDerWaalsContact O-N 3.07Å
130T31.2Very low47.9Very low116 Ų116100.2 Ų100.271%0.71256%0.562SS**THydrogen-bonded Turntrans-12021.816543.90000112.5E128 S132E128-T130 PolarHBondContact O-N 2.96Å; T130-S132 PolarHBondContact O-N 3.33Å
131T27Very low46.9Very low109 Ų109103.9 Ų103.967%0.66958%0.58SS**  trans-63127.5164.349.30000112E128E128-T131 PolarHBondContact O-N 2.86Å
132S30Very low46Very low100 Ų100106 Ų10670%0.69959%0.59SS**SBendtrans92.4-35.4153.976.40000122.1T130 S135T130-S132 PolarHBondContact O-N 3.33Å; S132-S135 PolarHBondContact O-OG 2.84Å
133E30.4Very low45.3Very low170 Ų170107.8 Ų107.879%0.79460%0.602SS**SBendtrans-101.2-24.4-173.7-68.3-167.5134.800116.3S135E133-S135 PolarHBondContact O-N 3.46Å
134A36.7Very low45.3Very low50 Ų50103.1 Ų103.141%0.41358%0.578SS.*THydrogen-bonded Turntrans-77.212.2-176.100000114.6F140A134-F140 HydrophobicContact CB-CE2 3.88Å; A134-F140 HydrophobicContact CB-CZ 4.13Å
135S37.4Very low46Very low88 Ų8897.1 Ų97.162%0.61557%0.566SS**THydrogen-bonded Turntrans-88.8-14.7-176.551.70000114.2S132 E133S132-S135 PolarHBondContact O-OG 2.84Å; E133-S135 PolarHBondContact O-N 3.46Å
136I39.1Very low47Very low141 Ų14196.3 Ų96.372%0.72356%0.557SS**SBendtrans-100.2-16.2-166.7-59.5176.2000113.2
137L43.6Very low49.3Very low127 Ų12789.8 Ų89.867%0.66552%0.518SS*.  trans-89.1115.1177-149.571.2000110.8N139L137-N139 WeakPolarHBondContact CD2-O 3.31Å; L137-N139 PolarHBondContact O-N 3.03Å
138N54.3Low51.8Low109 Ų10987.8 Ų87.858%0.58350%0.495SS*.SBendtrans-60.9-27.3-177.9-70.6-0.4000113.4Y153N138-Y153 VanDerWaalsContact O-CB 3.23Å; N138-Y153 WeakPolarHBondContact O-CB 3.43Å; N138-Y153 PolarHBondContact O-N 3.45Å
139N60Low54.6Low67 Ų6779.5 Ų79.536%0.35846%0.456SS..EExtended strand (participates in β ladder)trans-108.2121.7176.6-64.9-16.6000109.7L137 F151 F152L137-N139 WeakPolarHBondContact CD2-O 3.31Å; L137-N139 PolarHBondContact O-N 3.03Å; N139-F151 CarbonylContact C-O 3.06Å; N139-F151 VanDerWaalsContact CA-O 3.3Å; N139-F151 WeakPolarHBondContact CA-O 3.45Å; N139-F152 VanDerWaalsContact OD1-CD1 3.31Å; N139-F152 WeakPolarHBondContact OD1-CD1 3.13Å
140F63.9Low57.4Low72 Ų7273.1 Ų73.132%0.31642%0.421SS..EExtended strand (participates in β ladder)trans-104.2130.4174.4-139.9-83.5000108.9F114 A134 R150 F151F114-F140 HydrophobicContact CE1-CB 4.15Å; F114-F140 HydrophobicContact CE1-CD1 4.07Å; F114-F140 HydrophobicContact CE1-CG 4.36Å; F114-F140 HydrophobicContact CZ-CB 4.44Å; F114-F140 HydrophobicContact CZ-CD1 4.46Å; A134-F140 HydrophobicContact CB-CE2 3.88Å; A134-F140 HydrophobicContact CB-CZ 4.13Å; F140-R150 CarbonylContact O-C 3.59Å; F140-R150 VanDerWaalsContact O-CA 3.3Å; F140-R150 WeakPolarHBondContact O-CA 3.05Å; F140-F151 HydrophobicContact CB-CB 4.14Å; F140-F151 PolarHBondContact N-O 3.36Å; F140-F151 PolarHBondContact O-N 3.16Å
141Q69.4Low60.3Low94 Ų9467.7 Ų67.744%0.43939%0.387SS..EExtended strand (participates in β ladder)trans-122.8137.6175.7179.2168.52000110.4V143 D148 R150Q141-V143 HydrophobicContact CG-CG2 4.03Å; Q141-D148 PolarHBondContact NE2-OD1 3.36Å; Q141-R150 HydrophobicContact CB-CG 4.24Å; Q141-R150 HydrophobicContact CG-CG 3.98Å; Q141-R150 VanDerWaalsContact NE2-NE 3.17Å
142H66.3Low63.4Low48 Ų4862.7 Ų62.722%0.22236%0.356CS..EExtended strand (participates in β ladder)trans-136.6108174.8-173.771000109.3V118 N122 L149V118-H142 HydrophobicContact CG2-CB 4.39Å; N122-H142 PolarHBondContact ND2-CE1 2.9Å; N122-H142 PolarHBondContact ND2-NE2 3.23Å; H142-L149 HydrophobicContact CB-CB 4.33Å; H142-L149 PolarHBondContact N-O 3.42Å; H142-L149 WeakPolarHBondContact O-CB 3.45Å; H142-L149 PolarHBondContact O-N 3.12Å
143V65.2Low66.3Low86 Ų8661 Ų6152%0.52134%0.335SS..EExtended strand (participates in β ladder)trans-99.7113.9176.2-175.60000108.6Q141 V147Q141-V143 HydrophobicContact CG-CG2 4.03Å; V143-V147 WeakPolarHBondContact CA-O 3.35Å
144A65Low69.2Low11 Ų1154.2 Ų54.29%0.09130%0.303CS..  trans-116.672.3-17700000110H87 E146 V147H87-A144 PolarHBondContact CE1-O 2.92Å; A144-E146 PolarHBondContact O-N 3.33Å; A144-V147 PolarHBondContact N-O 2.86Å
145G68Low71.6Confident59 Ų5954.1 Ų54.161%0.60830%0.295SS*.SBendtrans67-112.1-173.100000111.2V147G145-V147 PolarHBondContact O-N 2.95Å
146E73.9Confident74.1Confident56 Ų5651.7 Ų51.726%0.26228%0.275SS..SBendtrans-86.620-172.9-63.4170.1158.900112.8K91 D98 V99 V100 A144K91-E146 WeakPolarHBondContact CD-OE2 3.5Å; K91-E146 WeakPolarHBondContact CG-OE2 3.46Å; K91-E146 IonicContact NZ-OE1 2.81Å; K91-E146 PolarHBondContact NZ-OE1 2.97Å; K91-E146 IonicContact NZ-OE2 2.8Å; K91-E146 PolarHBondContact NZ-OE2 3.38Å; D98-E146 WeakPolarHBondContact O-CB 3.42Å; V99-E146 WeakPolarHBondContact CA-O 3.43Å; V100-E146 PolarHBondContact N-O 3.13Å; A144-E146 PolarHBondContact O-N 3.33Å
147V81.9Confident76.6Confident1 Ų146 Ų461%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-137.1118.8-176.2-164.50000110L90 V143 A144 G145 L149L90-V147 HydrophobicContact CB-CG2 3.69Å; L90-V147 HydrophobicContact CD1-CG1 4.25Å; L90-V147 HydrophobicContact CD1-CG2 4.02Å; L90-V147 HydrophobicContact CG-CG2 4.41Å; V143-V147 WeakPolarHBondContact CA-O 3.35Å; A144-V147 PolarHBondContact N-O 2.86Å; G145-V147 PolarHBondContact O-N 2.95Å; V147-L149 HydrophobicContact CG1-CD1 4.09Å; V147-L149 HydrophobicContact CG1-CG 4.02Å
148D85.6Confident78.8Confident9 Ų942.2 Ų42.25%0.04823%0.228CC..EExtended strand (participates in β ladder)trans-102.8105.4171.3-176.415.6000108.9V99 V100 R101 L102 Q141 R150V99-D148 HydrophobicContact CG1-CB 3.71Å; V100-D148 PolarHBondContact O-N 3.29Å; R101-D148 WeakPolarHBondContact CA-O 3.47Å; R101-D148 HydrophobicContact CG-CB 4.45Å; L102-D148 PolarHBondContact N-O 3.29Å; Q141-D148 PolarHBondContact NE2-OD1 3.36Å; D148-R150 WeakPolarHBondContact OD1-CG 3.49Å; D148-R150 IonicContact OD1-NE 3.7Å; D148-R150 PolarHBondContact OD1-NE 2.04Å; D148-R150 IonicContact OD2-CZ 2.84Å; D148-R150 VanDerWaalsContact OD2-CZ 3.23Å; D148-R150 IonicContact OD2-NE 2.72Å; D148-R150 PolarHBondContact OD2-NE 3.24Å; D148-R150 IonicContact OD2-NH2 3.2Å; D148-R150 PolarHBondContact OD2-NH2 3.31Å
149L87.9Confident80.5Confident0 Ų041.4 Ų41.40%022%0.223CC..EExtended strand (participates in β ladder)trans-101.3117.1178.1-82.7156.6000109.1L102 F104 F114 F117 V118 I121 H142 V147L102-L149 HydrophobicContact CB-CD2 3.64Å; L102-L149 HydrophobicContact CB-CG 4.48Å; L102-L149 HydrophobicContact CD2-CD2 4.24Å; F104-L149 HydrophobicContact CE2-CD2 3.95Å; F114-L149 HydrophobicContact CE2-CB 4.03Å; F117-L149 HydrophobicContact CD1-CD1 4.11Å; F117-L149 HydrophobicContact CD1-CD2 3.7Å; F117-L149 HydrophobicContact CE1-CD1 4.25Å; F117-L149 HydrophobicContact CE1-CD2 3.78Å; V118-L149 HydrophobicContact CG2-CD1 4.32Å; I121-L149 HydrophobicContact CD1-CD1 3.79Å; H142-L149 HydrophobicContact CB-CB 4.33Å; H142-L149 PolarHBondContact N-O 3.42Å; H142-L149 WeakPolarHBondContact O-CB 3.45Å; H142-L149 PolarHBondContact O-N 3.12Å; V147-L149 HydrophobicContact CG1-CD1 4.09Å; V147-L149 HydrophobicContact CG1-CG 4.02Å
150R89.3Confident81.9Confident23 Ų2343.2 Ų43.29%0.08723%0.233CC..EExtended strand (participates in β ladder)trans-123.5142.9176.9-54.4-170.5-163.6-175.712.3112L102 Y103 F104 F140 Q141 D148 F152 D188L102-R150 PolarHBondContact O-N 3.46Å; L102-R150 VanDerWaalsContact O-N 3.15Å; Y103-R150 WeakPolarHBondContact CA-O 3.29Å; Y103-R150 HydrophobicContact CD1-CB 3.62Å; Y103-R150 HydrophobicContact CD1-CG 3.92Å; Y103-R150 HydrophobicContact CE1-CB 3.84Å; Y103-R150 HydrophobicContact CE1-CG 3.6Å; Y103-R150 HydrophobicContact CG-CB 4.35Å; F104-R150 PolarHBondContact N-O 3.38Å; F140-R150 CarbonylContact O-C 3.59Å; F140-R150 VanDerWaalsContact O-CA 3.3Å; F140-R150 WeakPolarHBondContact O-CA 3.05Å; Q141-R150 HydrophobicContact CB-CG 4.24Å; Q141-R150 HydrophobicContact CG-CG 3.98Å; Q141-R150 VanDerWaalsContact NE2-NE 3.17Å; D148-R150 WeakPolarHBondContact OD1-CG 3.49Å; D148-R150 IonicContact OD1-NE 3.7Å; D148-R150 PolarHBondContact OD1-NE 2.04Å; D148-R150 IonicContact OD2-CZ 2.84Å; D148-R150 VanDerWaalsContact OD2-CZ 3.23Å; D148-R150 IonicContact OD2-NE 2.72Å; D148-R150 PolarHBondContact OD2-NE 3.24Å; D148-R150 IonicContact OD2-NH2 3.2Å; D148-R150 PolarHBondContact OD2-NH2 3.31Å; R150-F152 HydrophobicContact CB-CD2 4.48Å; R150-F152 HydrophobicContact CB-CE2 3.75Å; R150-F152 HydrophobicContact CB-CZ 4.17Å; R150-D188 PolarHBondContact NH1-O 3.31Å; R150-D188 PolarHBondContact NH2-O 3.04Å
151F91.7Very high83.1Confident1 Ų139.9 Ų39.90%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-120.3126.9172.4-174.9-82.9000109.5F104 G106 L110 K111 F114 N139 F140 Y153F104-F151 HydrophobicContact CB-CD2 3.56Å; F104-F151 HydrophobicContact CB-CE2 4.08Å; F104-F151 HydrophobicContact CB-CG 4.47Å; F104-F151 CarbonylContact O-C 3.5Å; F104-F151 WeakPolarHBondContact O-CA 3.2Å; G106-F151 WeakPolarHBondContact O-CZ 3.02Å; L110-F151 HydrophobicContact CB-CE2 4.16Å; L110-F151 HydrophobicContact CD2-CE2 4.27Å; L110-F151 HydrophobicContact CG-CE2 4.12Å; K111-F151 VanDerWaalsContact CA-CE2 3.41Å; K111-F151 HydrophobicContact CB-CD2 4.38Å; K111-F151 HydrophobicContact CB-CE1 3.93Å; K111-F151 HydrophobicContact CB-CE2 3.81Å; K111-F151 HydrophobicContact CB-CZ 3.56Å; K111-F151 HydrophobicContact CD-CD1 4.15Å; K111-F151 HydrophobicContact CD-CE1 3.93Å; K111-F151 HydrophobicContact CD-CZ 4.44Å; K111-F151 HydrophobicContact CG-CD1 4.1Å; K111-F151 HydrophobicContact CG-CD2 4.42Å; K111-F151 HydrophobicContact CG-CE1 3.95Å; K111-F151 HydrophobicContact CG-CE2 4.3Å; K111-F151 HydrophobicContact CG-CG 4.36Å; K111-F151 HydrophobicContact CG-CZ 4.07Å; K111-F151 VanDerWaalsContact N-CE2 3.34Å; F114-F151 HydrophobicContact CB-CD2 3.69Å; F114-F151 HydrophobicContact CB-CE2 4.43Å; F114-F151 HydrophobicContact CB-CG 4.45Å; F114-F151 HydrophobicContact CD1-CB 3.83Å; F114-F151 HydrophobicContact CD1-CD2 4.33Å; F114-F151 HydrophobicContact CD1-CG 4.28Å; F114-F151 HydrophobicContact CD2-CB 3.86Å; F114-F151 HydrophobicContact CD2-CD2 4.35Å; F114-F151 HydrophobicContact CE1-CB 3.87Å; F114-F151 HydrophobicContact CE2-CB 3.88Å; F114-F151 HydrophobicContact CG-CB 3.83Å; F114-F151 AromaticContact CG-CD2 3.89Å; F114-F151 HydrophobicContact CG-CD2 3.89Å; F114-F151 HydrophobicContact CG-CG 4.2Å; F114-F151 HydrophobicContact CZ-CB 3.89Å; N139-F151 CarbonylContact C-O 3.06Å; N139-F151 VanDerWaalsContact CA-O 3.3Å; N139-F151 WeakPolarHBondContact CA-O 3.45Å; F140-F151 HydrophobicContact CB-CB 4.14Å; F140-F151 PolarHBondContact N-O 3.36Å; F140-F151 PolarHBondContact O-N 3.16Å; F151-Y153 AromaticContact CE1-CD2 3.83Å; F151-Y153 HydrophobicContact CE1-CD2 3.83Å; F151-Y153 HydrophobicContact CE1-CG 4.32Å; F151-Y153 HydrophobicContact CZ-CD2 4.43Å
152F91.8Very high84.1Confident5 Ų535.6 Ų35.62%0.02220%0.199CC..EExtended strand (participates in β ladder)trans-112.9115.6176.7-58.9-95.4000109Y103 F104 V105 G106 N139 R150 H154 L164 W168 I189Y103-F152 HydrophobicContact CD1-CE2 4.36Å; Y103-F152 AromaticContact CD2-CE2 3.78Å; Y103-F152 HydrophobicContact CD2-CE2 3.78Å; Y103-F152 HydrophobicContact CD2-CZ 4.31Å; Y103-F152 HydrophobicContact CE2-CE2 4.32Å; Y103-F152 HydrophobicContact CE2-CZ 4.43Å; Y103-F152 AromaticContact CG-CE2 3.83Å; Y103-F152 HydrophobicContact CG-CE2 3.83Å; F104-F152 PolarHBondContact O-N 3.39Å; V105-F152 WeakPolarHBondContact CA-O 3.19Å; V105-F152 HydrophobicContact CG1-CB 4.42Å; V105-F152 HydrophobicContact CG2-CB 4.29Å; V105-F152 HydrophobicContact CG2-CD2 4.22Å; G106-F152 PolarHBondContact N-O 3.4Å; G106-F152 VanDerWaalsContact N-O 3.14Å; N139-F152 VanDerWaalsContact OD1-CD1 3.31Å; N139-F152 WeakPolarHBondContact OD1-CD1 3.13Å; R150-F152 HydrophobicContact CB-CD2 4.48Å; R150-F152 HydrophobicContact CB-CE2 3.75Å; R150-F152 HydrophobicContact CB-CZ 4.17Å; F152-H154 PolarHBondContact O-N 2.7Å; F152-L164 HydrophobicContact CB-CD2 3.81Å; F152-L164 HydrophobicContact CD1-CD1 3.97Å; F152-L164 HydrophobicContact CD1-CD2 3.86Å; F152-L164 HydrophobicContact CE1-CD1 3.95Å; F152-L164 HydrophobicContact CG-CD2 3.84Å; F152-W168 HydrophobicContact CE2-CZ2 4.17Å; F152-W168 HydrophobicContact CZ-CZ2 4.38Å; F152-I189 HydrophobicContact CE1-CG2 4.43Å; F152-I189 HydrophobicContact CZ-CG2 4.18Å
153Y90.7Very high85.1Confident63 Ų6340 Ų4025%0.24722%0.219CC..EExtended strand (participates in β ladder)trans-80.4113.1-174.8-167.9-91.2000112K111 N138 F151 D155K111-Y153 HydrophobicContact CD-CD2 4.18Å; N138-Y153 VanDerWaalsContact O-CB 3.23Å; N138-Y153 WeakPolarHBondContact O-CB 3.43Å; N138-Y153 PolarHBondContact O-N 3.45Å; F151-Y153 AromaticContact CE1-CD2 3.83Å; F151-Y153 HydrophobicContact CE1-CD2 3.83Å; F151-Y153 HydrophobicContact CE1-CG 4.32Å; F151-Y153 HydrophobicContact CZ-CD2 4.43Å; Y153-D155 VanDerWaalsContact CE1-CG 3.43Å; Y153-D155 WeakPolarHBondContact CE1-OD1 3.42Å; Y153-D155 VanDerWaalsContact CE1-OD2 3.3Å; Y153-D155 WeakPolarHBondContact CE1-OD2 3.49Å; Y153-D155 VanDerWaalsContact CZ-OD2 3.3Å; Y153-D155 PolarHBondContact OH-OD2 3.46Å
154H91.4Very high86.2Confident29 Ų2936.9 Ų36.913%0.13420%0.199CC..  trans-143.1108.8175.2-73.9-91.6000109.9V105 G106 D107 F152 T161 M199V105-H154 HydrophobicContact CG1-CB 4.46Å; G106-H154 CarbonylContact C-O 3.16Å; G106-H154 WeakPolarHBondContact CA-O 3.29Å; G106-H154 PolarHBondContact O-N 3.09Å; D107-H154 PolarHBondContact N-O 3.44Å; F152-H154 PolarHBondContact O-N 2.7Å; H154-T161 HydrophobicContact CB-CG2 4.45Å; H154-T161 PolarHBondContact ND1-OG1 3.37Å; H154-M199 HydrophobicContact CB-CE 3.79Å; H154-M199 HydrophobicContact CB-SD 4.5Å
155D87.1Confident87.3Confident47 Ų4736.4 Ų36.425%0.25120%0.196SC..SBendtrans-74-29.2-178.4-42.765.2000113.5Y153 G200 K202Y153-D155 VanDerWaalsContact CE1-CG 3.43Å; Y153-D155 WeakPolarHBondContact CE1-OD1 3.42Å; Y153-D155 VanDerWaalsContact CE1-OD2 3.3Å; Y153-D155 WeakPolarHBondContact CE1-OD2 3.49Å; Y153-D155 VanDerWaalsContact CZ-OD2 3.3Å; Y153-D155 PolarHBondContact OH-OD2 3.46Å; D155-G200 PolarHBondContact O-N 2.86Å; D155-K202 HydrophobicContact CB-CB 3.61Å; D155-K202 HydrophobicContact CB-CD 4.27Å; D155-K202 HydrophobicContact CB-CG 3.64Å
156E89.9Confident88.3Confident38 Ų3839 Ų3918%0.17819%0.19CC..SBendtrans-137.6158.5-173-57.9-172.2152.900109.6T158 T161 K202 T203 H206E156-T158 HydrophobicContact CB-CG2 4.42Å; E156-T158 PolarHBondContact O-N 2.95Å; E156-T158 VanDerWaalsContact O-N 3.13Å; E156-T161 PolarHBondContact O-OG1 3.03Å; E156-K202 HydrophobicContact CG-CB 3.68Å; E156-K202 HydrophobicContact CG-CG 3.8Å; E156-K202 WeakPolarHBondContact OE1-CG 3.41Å; E156-T203 WeakPolarHBondContact OE1-CA 3.18Å; E156-T203 PolarHBondContact OE1-N 3.03Å; E156-H206 WeakPolarHBondContact OE1-CB 3.47Å; E156-H206 IonicContact OE1-CG 3.91Å; E156-H206 IonicContact OE1-ND1 3.51Å; E156-H206 IonicContact OE2-ND1 3.33Å; E156-H206 PolarHBondContact OE2-ND1 3.21Å
157I91.7Very high88.8Confident21 Ų2138.4 Ų38.411%0.10819%0.192CC..  trans-84.786.7179.4-54.4166.8000108.8M199 Y217 V221 L224 W238I157-M199 HydrophobicContact CB-SD 4.23Å; I157-M199 HydrophobicContact CD1-CG 4.5Å; I157-M199 HydrophobicContact CG1-CG 3.79Å; I157-M199 HydrophobicContact CG1-SD 3.37Å; I157-M199 WeakPolarHBondContact CG1-SD 3.39Å; I157-Y217 HydrophobicContact CD1-CD2 4.45Å; I157-Y217 HydrophobicContact CD1-CE2 4.12Å; I157-V221 HydrophobicContact CD1-CB 4.2Å; I157-V221 HydrophobicContact CD1-CG2 3.42Å; I157-V221 VanDerWaalsContact CD1-CG2 3.42Å; I157-L224 HydrophobicContact CD1-CD2 4.32Å; I157-L224 HydrophobicContact CG1-CD2 4.49Å; I157-L224 HydrophobicContact CG2-CB 4.17Å; I157-L224 HydrophobicContact CG2-CD2 4.4Å; I157-W238 HydrophobicContact CD1-CH2 4.37Å
158T90.2Very high89Confident48 Ų4838.3 Ų38.329%0.29419%0.192SC..  trans-92.8175.1178.469.60000112E156 D160 T161 L162E156-T158 HydrophobicContact CB-CG2 4.42Å; E156-T158 PolarHBondContact O-N 2.95Å; E156-T158 VanDerWaalsContact O-N 3.13Å; T158-D160 WeakPolarHBondContact CB-OD2 3.44Å; T158-D160 PolarHBondContact O-N 3.29Å; T158-D160 PolarHBondContact OG1-N 2.95Å; T158-D160 PolarHBondContact OG1-OD2 3.34Å; T158-T161 PolarHBondContact N-OG1 3.49Å; T158-T161 VanDerWaalsContact N-OG1 3.15Å; T158-T161 WeakPolarHBondContact O-CB 3.47Å; T158-T161 PolarHBondContact O-N 2.8Å; T158-T161 PolarHBondContact OG1-OG1 3.48Å; T158-L162 PolarHBondContact O-N 2.94Å
159D89Confident88.6Confident91 Ų9139 Ų3949%0.48720%0.195SC..Hα-helixtrans-60.6-35.2171.4-73.1-20.8000111.8T161 L162 E163 R223D159-T161 VanDerWaalsContact C-N 3.29Å; D159-T161 PolarHBondContact O-N 3.38Å; D159-L162 CarbonylContact O-C 3.54Å; D159-L162 WeakPolarHBondContact O-CA 3.48Å; D159-L162 WeakPolarHBondContact O-CB 3.39Å; D159-L162 PolarHBondContact O-N 3.35Å; D159-E163 PolarHBondContact O-N 3.26Å; D159-R223 IonicContact OD1-CZ 2.77Å; D159-R223 IonicContact OD1-NH1 3.83Å; D159-R223 PolarHBondContact OD1-NH1 3.28Å; D159-R223 IonicContact OD1-NH2 3.95Å; D159-R223 PolarHBondContact OD1-NH2 3.04Å
160D89.3Confident87.3Confident106 Ų10641 Ų4157%0.56722%0.216SC*.Hα-helixtrans-59.8-39.5174.3-35.4-73.7000111.6T158 L162 E163 L164T158-D160 WeakPolarHBondContact CB-OD2 3.44Å; T158-D160 PolarHBondContact O-N 3.29Å; T158-D160 PolarHBondContact OG1-N 2.95Å; T158-D160 PolarHBondContact OG1-OD2 3.34Å; D160-L162 VanDerWaalsContact C-N 3.29Å; D160-L162 PolarHBondContact O-N 3.21Å; D160-E163 PolarHBondContact O-N 3.45Å; D160-L164 WeakPolarHBondContact O-CB 3.27Å; D160-L164 PolarHBondContact O-N 3.19Å
161T89.5Confident85.8Confident1 Ų142.4 Ų42.41%0.00623%0.229CC..Hα-helixtrans-62.7-38.7174.9-43.20000111V105 H154 E156 T158 D159 V165 M199V105-T161 HydrophobicContact CG1-CG2 4.45Å; H154-T161 HydrophobicContact CB-CG2 4.45Å; H154-T161 PolarHBondContact ND1-OG1 3.37Å; E156-T161 PolarHBondContact O-OG1 3.03Å; T158-T161 PolarHBondContact N-OG1 3.49Å; T158-T161 VanDerWaalsContact N-OG1 3.15Å; T158-T161 WeakPolarHBondContact O-CB 3.47Å; T158-T161 PolarHBondContact O-N 2.8Å; T158-T161 PolarHBondContact OG1-OG1 3.48Å; D159-T161 VanDerWaalsContact C-N 3.29Å; D159-T161 PolarHBondContact O-N 3.38Å; T161-V165 VanDerWaalsContact O-CG2 3.28Å; T161-V165 WeakPolarHBondContact O-CG2 3.18Å; T161-V165 PolarHBondContact O-N 2.98Å; T161-M199 HydrophobicContact CG2-CE 4Å; T161-M199 HydrophobicContact CG2-SD 4.17Å
162L90.5Very high83.7Confident5 Ų546.2 Ų46.23%0.02625%0.253CS..Hα-helixtrans-72.5-36.5177.2-61.4174.3000111.8T158 D159 D160 K166 R223 L224 V227T158-L162 PolarHBondContact O-N 2.94Å; D159-L162 CarbonylContact O-C 3.54Å; D159-L162 WeakPolarHBondContact O-CA 3.48Å; D159-L162 WeakPolarHBondContact O-CB 3.39Å; D159-L162 PolarHBondContact O-N 3.35Å; D160-L162 VanDerWaalsContact C-N 3.29Å; D160-L162 PolarHBondContact O-N 3.21Å; L162-K166 WeakPolarHBondContact O-CB 3.34Å; L162-K166 WeakPolarHBondContact O-CD 3.4Å; L162-K166 WeakPolarHBondContact O-CG 3.44Å; L162-K166 PolarHBondContact O-N 2.76Å; L162-R223 HydrophobicContact CD1-CB 3.84Å; L162-R223 VanDerWaalsContact CD1-CZ 3.45Å; L162-R223 HydrophobicContact CD2-CB 4.29Å; L162-L224 HydrophobicContact CD2-CB 4Å; L162-L224 HydrophobicContact CD2-CD1 4.1Å; L162-V227 HydrophobicContact CD2-CG2 4.27Å
163E88.1Confident81.4Confident139 Ų13952 Ų5265%0.6528%0.284SS*.Hα-helixtrans-68.6-41.4175.1-69.2-154.2159.200112.8D159 D160 V165 K166 S167D159-E163 PolarHBondContact O-N 3.26Å; D160-E163 PolarHBondContact O-N 3.45Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 2.98Å; E163-K166 PolarHBondContact O-N 2.94Å; E163-S167 WeakPolarHBondContact O-CB 3.22Å; E163-S167 PolarHBondContact O-N 3.24Å
164L88.6Confident79.1Confident21 Ų2154.8 Ų54.811%0.1130%0.302CS..Hα-helixtrans-54.3-50.6173.2174.962.5000110.8V105 F152 D160 S167 W168V105-L164 HydrophobicContact CG1-CD2 4.31Å; V105-L164 HydrophobicContact CG2-CD2 4.47Å; F152-L164 HydrophobicContact CB-CD2 3.81Å; F152-L164 HydrophobicContact CD1-CD1 3.97Å; F152-L164 HydrophobicContact CD1-CD2 3.86Å; F152-L164 HydrophobicContact CE1-CD1 3.95Å; F152-L164 HydrophobicContact CG-CD2 3.84Å; D160-L164 WeakPolarHBondContact O-CB 3.27Å; D160-L164 PolarHBondContact O-N 3.19Å; L164-S167 WeakPolarHBondContact O-CB 3.35Å; L164-S167 PolarHBondContact O-N 3Å; L164-S167 PolarHBondContact O-OG 2.9Å; L164-W168 HydrophobicContact CD1-CZ2 3.91Å; L164-W168 HydrophobicContact CD2-CH2 4.46Å; L164-W168 HydrophobicContact CD2-CZ2 4.36Å; L164-W168 HydrophobicContact CG-CH2 4.24Å; L164-W168 HydrophobicContact CG-CZ2 3.91Å
165V88Confident76.8Confident2 Ų258.2 Ų58.21%0.01233%0.33CS..Hα-helixtrans-69-37.8-178179.80000111.3T161 E163 S167 W168 L224 V227 L228 L231T161-V165 VanDerWaalsContact O-CG2 3.28Å; T161-V165 WeakPolarHBondContact O-CG2 3.18Å; T161-V165 PolarHBondContact O-N 2.98Å; E163-V165 VanDerWaalsContact C-N 3.33Å; E163-V165 PolarHBondContact O-N 2.98Å; V165-S167 VanDerWaalsContact C-N 3.32Å; V165-S167 PolarHBondContact O-N 3.26Å; V165-W168 HydrophobicContact CB-CE3 4.46Å; V165-W168 HydrophobicContact CB-CZ3 4.45Å; V165-W168 HydrophobicContact CG1-CE3 4.4Å; V165-W168 HydrophobicContact CG2-CE3 4.47Å; V165-W168 HydrophobicContact CG2-CZ3 3.98Å; V165-W168 PolarHBondContact O-N 3.06Å; V165-L224 HydrophobicContact CG2-CD1 4.24Å; V165-V227 HydrophobicContact CB-CG1 4.13Å; V165-V227 HydrophobicContact CG1-CB 4.38Å; V165-V227 HydrophobicContact CG1-CG1 3.61Å; V165-L228 HydrophobicContact CG1-CD2 4.06Å; V165-L231 HydrophobicContact CG1-CD1 3.27Å
166K87.5Confident74.4Confident112 Ų11263.1 Ų63.149%0.48736%0.356SS..Hα-helixtrans-63.2-33.5171.6-76.4170-178.1175.50113.5L162 E163 W168 I169 G170 V227L162-K166 WeakPolarHBondContact O-CB 3.34Å; L162-K166 WeakPolarHBondContact O-CD 3.4Å; L162-K166 WeakPolarHBondContact O-CG 3.44Å; L162-K166 PolarHBondContact O-N 2.76Å; E163-K166 PolarHBondContact O-N 2.94Å; K166-W168 PolarHBondContact O-N 2.85Å; K166-I169 PolarHBondContact O-N 2.9Å; K166-I169 VanDerWaalsContact O-N 3.1Å; K166-G170 PolarHBondContact O-N 2.78Å; K166-G170 VanDerWaalsContact O-N 3.08Å; K166-V227 HydrophobicContact CG-CG1 3.74Å; K166-V227 HydrophobicContact CG-CG2 4.31Å
167S85Confident72.2Confident44 Ų4465.3 Ų65.331%0.30837%0.372SS..Hα-helixtrans-60.1-33.4-179.180.60000112.4E163 L164 V165 S171E163-S167 WeakPolarHBondContact O-CB 3.22Å; E163-S167 PolarHBondContact O-N 3.24Å; L164-S167 WeakPolarHBondContact O-CB 3.35Å; L164-S167 PolarHBondContact O-N 3Å; L164-S167 PolarHBondContact O-OG 2.9Å; V165-S167 VanDerWaalsContact C-N 3.32Å; V165-S167 PolarHBondContact O-N 3.26Å; S167-S171 PolarHBondContact O-N 3.02Å
168W85.7Confident69.8Low0 Ų068.6 Ų68.60%039%0.393CS..Hα-helixtrans-68.4-37.9176.1-57.7-29.3000112.6Y103 V105 F152 L164 V165 K166 S171 T191 P192 L195 L231Y103-W168 HydrophobicContact CD2-CH2 4.29Å; Y103-W168 AromaticContact CD2-CZ2 3.75Å; Y103-W168 HydrophobicContact CD2-CZ2 3.75Å; Y103-W168 HydrophobicContact CE2-CZ2 4.33Å; V105-W168 HydrophobicContact CG2-CH2 3.85Å; F152-W168 HydrophobicContact CE2-CZ2 4.17Å; F152-W168 HydrophobicContact CZ-CZ2 4.38Å; L164-W168 HydrophobicContact CD1-CZ2 3.91Å; L164-W168 HydrophobicContact CD2-CH2 4.46Å; L164-W168 HydrophobicContact CD2-CZ2 4.36Å; L164-W168 HydrophobicContact CG-CH2 4.24Å; L164-W168 HydrophobicContact CG-CZ2 3.91Å; V165-W168 HydrophobicContact CB-CE3 4.46Å; V165-W168 HydrophobicContact CB-CZ3 4.45Å; V165-W168 HydrophobicContact CG1-CE3 4.4Å; V165-W168 HydrophobicContact CG2-CE3 4.47Å; V165-W168 HydrophobicContact CG2-CZ3 3.98Å; V165-W168 PolarHBondContact O-N 3.06Å; K166-W168 PolarHBondContact O-N 2.85Å; W168-S171 PolarHBondContact O-N 3.23Å; W168-S171 PolarHBondContact O-OG 3.28Å; W168-T191 HydrophobicContact CB-CG2 4.31Å; W168-T191 WeakPolarHBondContact O-CG2 3.31Å; W168-P192 HydrophobicContact CD2-CG 3.96Å; W168-P192 HydrophobicContact CE3-CG 3.78Å; W168-P192 HydrophobicContact CG-CG 4.46Å; W168-P192 HydrophobicContact CZ3-CG 4.12Å; W168-L195 HydrophobicContact CE3-CD2 4.34Å; W168-L195 HydrophobicContact CH2-CD1 3.75Å; W168-L195 HydrophobicContact CZ3-CD1 3.67Å; W168-L195 HydrophobicContact CZ3-CD2 3.66Å; W168-L195 HydrophobicContact CZ3-CG 4.33Å; W168-L231 HydrophobicContact CB-CD2 4.39Å; W168-L231 HydrophobicContact CE3-CD1 4.22Å
169I78Confident67.6Low22 Ų2274.7 Ų74.711%0.11342%0.418CS..Hα-helixtrans-68.2-43.9177.1-58.4161.6000110.7K166 S171 T172 V227 E230 L231K166-I169 PolarHBondContact O-N 2.9Å; K166-I169 VanDerWaalsContact O-N 3.1Å; I169-S171 PolarHBondContact O-N 2.86Å; I169-S171 VanDerWaalsContact O-N 3.15Å; I169-T172 PolarHBondContact O-N 2.9Å; I169-T172 PolarHBondContact O-OG1 2.84Å; I169-T172 VanDerWaalsContact O-OG1 3.13Å; I169-V227 HydrophobicContact CD1-CG1 3.67Å; I169-E230 HydrophobicContact CD1-CB 3.68Å; I169-E230 HydrophobicContact CG1-CB 4.28Å; I169-E230 HydrophobicContact CG2-CB 4.41Å; I169-L231 HydrophobicContact CD1-CD1 4.4Å; I169-L231 HydrophobicContact CD1-CG 4.29Å; I169-L231 HydrophobicContact CG1-CD1 4.32Å; I169-L231 HydrophobicContact CG1-CG 3.88Å
170G61Low65.3Low43 Ų4374.3 Ų74.344%0.44342%0.423SS..Hα-helixtrans-58.9-28.817900000113.8K166 T172 N173K166-G170 PolarHBondContact O-N 2.78Å; K166-G170 VanDerWaalsContact O-N 3.08Å; G170-T172 VanDerWaalsContact C-N 3.28Å; G170-T172 PolarHBondContact O-N 2.93Å; G170-N173 PolarHBondContact O-N 2.92Å
171S56.1Low63.1Low53 Ų5373.4 Ų73.437%0.37142%0.418SS..G310 helixtrans-65.7-23.4-177.975.80000115S167 W168 I169 T191S167-S171 PolarHBondContact O-N 3.02Å; W168-S171 PolarHBondContact O-N 3.23Å; W168-S171 PolarHBondContact O-OG 3.28Å; I169-S171 PolarHBondContact O-N 2.86Å; I169-S171 VanDerWaalsContact O-N 3.15Å; S171-T191 WeakPolarHBondContact OG-CG2 3.14Å
172T48.8Very low60.9Low80 Ų8079.2 Ų79.249%0.49145%0.447SS..G310 helixtrans-86.6-9-176.662.10000114.3I169 G170 F233I169-T172 PolarHBondContact O-N 2.9Å; I169-T172 PolarHBondContact O-OG1 2.84Å; I169-T172 VanDerWaalsContact O-OG1 3.13Å; G170-T172 VanDerWaalsContact C-N 3.28Å; G170-T172 PolarHBondContact O-N 2.93Å; T172-F233 HydrophobicContact CG2-CE1 4.01Å; T172-F233 HydrophobicContact CG2-CZ 4.35Å
173N42.5Very low58.3Low128 Ų12889.4 Ų89.468%0.68449%0.485SS*.G310 helixtrans-114.620.6-175.9-71.3-27.7000113.1G170 S175G170-N173 PolarHBondContact O-N 2.92Å; N173-S175 PolarHBondContact O-N 3.41Å
174L43.7Very low55.8Low120 Ų12090 Ų9063%0.62849%0.493SS*.  trans-8176-166-150.780.9000113.8V177L174-V177 HydrophobicContact CD1-CB 4.22Å; L174-V177 HydrophobicContact CD1-CG2 3.53Å; L174-V177 HydrophobicContact CG-CB 4.37Å; L174-V177 HydrophobicContact CG-CG2 4.14Å
175S42.9Very low53.5Low102 Ų10297.2 Ų97.271%0.71352%0.524SS*.SBendtrans-101.5-19.8172.757.80000114.7N173N173-S175 PolarHBondContact O-N 3.41Å
176N37.2Very low51Low150 Ų150104.6 Ų104.680%0.80256%0.563SS**SBendtrans-134.573.5-174.5-73-34000111.7
177V42.2Very low49Very low83 Ų83104 Ų10450%0.50357%0.565SS.*  trans-130.7137.8167.1169.80000110.2L174 D181L174-V177 HydrophobicContact CD1-CB 4.22Å; L174-V177 HydrophobicContact CD1-CG2 3.53Å; L174-V177 HydrophobicContact CG-CB 4.37Å; L174-V177 HydrophobicContact CG-CG2 4.14Å; V177-D181 HydrophobicContact CG1-CB 3.96Å
178T41.6Very low47.5Very low91 Ų91108.9 Ų108.956%0.55859%0.588SS**  trans-77.7145.1-177230000112.9S180 D181T178-S180 PolarHBondContact O-N 3.04Å; T178-D181 WeakPolarHBondContact CB-OD2 3.42Å; T178-D181 PolarHBondContact O-N 2.89Å; T178-D181 PolarHBondContact OG1-OD2 2.8Å
179E44.3Very low46.4Very low176 Ų176111.4 Ų111.482%0.82260%0.601SS**THydrogen-bonded Turntrans-59.8-19.7-175.3-163.5174.5-165.800113.6
180S40.4Very low46.3Very low83 Ų83112 Ų11258%0.5861%0.607SS**THydrogen-bonded Turntrans-66.3-36.2173.843.70000114.4T178 I182T178-S180 PolarHBondContact O-N 3.04Å; S180-I182 VanDerWaalsContact C-N 3.28Å; S180-I182 PolarHBondContact O-N 3.31Å
181D43.7Very low47.3Very low87 Ų87111.4 Ų111.447%0.46560%0.595SS.*G310 helixtrans-76.1-21.6-171.4-59.1-71.5000112.5V177 T178 R183V177-D181 HydrophobicContact CG1-CB 3.96Å; T178-D181 WeakPolarHBondContact CB-OD2 3.42Å; T178-D181 PolarHBondContact O-N 2.89Å; T178-D181 PolarHBondContact OG1-OD2 2.8Å; D181-R183 VanDerWaalsContact C-N 3.3Å; D181-R183 PolarHBondContact O-N 2.91Å
182I43.7Very low48.9Very low122 Ų122109 Ų10963%0.62658%0.578SS**G310 helixtrans-65.9-31.9-179.1-58.6177.4000111.3S180 N184S180-I182 VanDerWaalsContact C-N 3.28Å; S180-I182 PolarHBondContact O-N 3.31Å; I182-N184 PolarHBondContact O-N 2.66Å
183R35.5Very low50.7Low219 Ų219106.3 Ų106.383%0.82656%0.561SS**G310 helixtrans-83.2-10.9-167.8-157.2172.6-73.6-149.70.3115.2D181D181-R183 VanDerWaalsContact C-N 3.3Å; D181-R183 PolarHBondContact O-N 2.91Å
184N36.2Very low53Low152 Ų152101 Ų10181%0.81353%0.532SS*.THydrogen-bonded Turntrans-108.4-15.2178.1-82.7-10.2000114.6I182 N186I182-N184 PolarHBondContact O-N 2.66Å; N184-N186 VanDerWaalsContact C-N 3.31Å; N184-N186 PolarHBondContact O-N 3.42Å
185K39.1Very low55.4Low172 Ų17295.2 Ų95.275%0.74850%0.502SS*.  trans-82.778.4170.5-82.5-173.3173.9178.90110.2N187K185-N187 PolarHBondContact O-N 3.23Å
186N36.1Very low57.9Low157 Ų15790.4 Ų90.484%0.8447%0.468SS*.  trans-74.134.2-175.8-132.813.9000114.1N184N184-N186 VanDerWaalsContact C-N 3.31Å; N184-N186 PolarHBondContact O-N 3.42Å
187N46Very low60.7Low99 Ų9983.5 Ų83.553%0.52943%0.431SS..SBendtrans-151.7114.8171.5-88.2-66.8000108.3K185 I189K185-N187 PolarHBondContact O-N 3.23Å; N187-I189 VanDerWaalsContact C-N 3.31Å; N187-I189 HydrophobicContact CB-CD1 4.46Å; N187-I189 HydrophobicContact CB-CG1 3.87Å; N187-I189 PolarHBondContact O-N 2.85Å
188D52.5Low63.2Low147 Ų14779.7 Ų79.779%0.78641%0.409SS*.  trans-69.692.2161.4-103.5-41.4000108.4R150 S190R150-D188 PolarHBondContact NH1-O 3.31Å; R150-D188 PolarHBondContact NH2-O 3.04Å; D188-S190 PolarHBondContact O-N 3.3Å
189I63.4Low65.7Low54 Ų5475.4 Ų75.428%0.27738%0.382SS..  trans-8565.3173.8-40.4-175.6000108.8F152 N187F152-I189 HydrophobicContact CE1-CG2 4.43Å; F152-I189 HydrophobicContact CZ-CG2 4.18Å; N187-I189 VanDerWaalsContact C-N 3.31Å; N187-I189 HydrophobicContact CB-CD1 4.46Å; N187-I189 HydrophobicContact CB-CG1 3.87Å; N187-I189 PolarHBondContact O-N 2.85Å
190S75Confident67.8Low35 Ų3567.1 Ų67.125%0.24534%0.344CS..PPolyproline II helixtrans-58.5148.5175.956.30000111.3R101 Y103 D188R101-S190 VanDerWaalsContact CD-OG 3.31Å; R101-S190 WeakPolarHBondContact CD-OG 3.33Å; Y103-S190 WeakPolarHBondContact CE2-O 3.49Å; Y103-S190 VanDerWaalsContact CZ-O 3.29Å; Y103-S190 PolarHBondContact OH-O 3.22Å; Y103-S190 PolarHBondContact OH-OG 2.82Å; D188-S190 PolarHBondContact O-N 3.3Å
191T82.2Confident70.2Confident30 Ų3063.2 Ų63.218%0.18432%0.317CS..PPolyproline II helixtrans-59.8137.1-169.940.40000114.3R101 W168 S171 F233R101-T191 WeakPolarHBondContact CD-O 2.77Å; R101-T191 PolarHBondContact NH1-O 3.41Å; R101-T191 PolarHBondContact NH1-OG1 2.68Å; W168-T191 HydrophobicContact CB-CG2 4.31Å; W168-T191 WeakPolarHBondContact O-CG2 3.31Å; S171-T191 WeakPolarHBondContact OG-CG2 3.14Å; T191-F233 HydrophobicContact CG2-CE2 3.75Å; T191-F233 HydrophobicContact CG2-CZ 3.7Å
192P88.9Confident72.4Confident1 Ų162.9 Ų62.91%0.00631%0.311CS..PPolyproline II helixtrans-63.7141.1170.124.6-31.3000110.9Y103 W168 L195 A234Y103-P192 HydrophobicContact CD2-CB 3.6Å; Y103-P192 HydrophobicContact CD2-CG 4.02Å; Y103-P192 HydrophobicContact CE2-CB 4.15Å; Y103-P192 HydrophobicContact CE2-CG 4.49Å; Y103-P192 HydrophobicContact CG-CB 3.97Å; W168-P192 HydrophobicContact CD2-CG 3.96Å; W168-P192 HydrophobicContact CE3-CG 3.78Å; W168-P192 HydrophobicContact CG-CG 4.46Å; W168-P192 HydrophobicContact CZ3-CG 4.12Å; P192-L195 HydrophobicContact CB-CB 4.34Å; P192-L195 HydrophobicContact CG-CB 4.46Å; P192-A234 HydrophobicContact CG-CB 4.32Å; P192-A234 WeakPolarHBondContact O-CB 3.48Å
193T88Confident74.7Confident24 Ų2457.5 Ų57.515%0.14728%0.284CS..SBendtrans-88.4-31.4163.568.20000110.6P95 R101 R235P95-T193 HydrophobicContact CG-CG2 4.1Å; R101-T193 PolarHBondContact N-OG1 3.29Å; R101-T193 PolarHBondContact O-N 2.87Å; R101-T193 PolarHBondContact O-OG1 3.45Å; T193-R235 PolarHBondContact O-N 3.44Å
194H91.1Very high77.3Confident16 Ų1647.1 Ų47.17%0.07425%0.245CC..EExtended strand (participates in β ladder)trans-133136.8173.6-60.273.8000109.2R101 L102 Y103 R235 Y361R101-H194 PolarHBondContact O-N 3.1Å; L102-H194 HydrophobicContact CD1-CB 3.62Å; L102-H194 HydrophobicContact CG-CB 3.89Å; Y103-H194 PolarHBondContact N-O 2.97Å; H194-R235 WeakPolarHBondContact CA-O 3.49Å; H194-Y361 AromaticContact CD2-CD1 3.52Å; H194-Y361 AromaticContact CD2-CE1 3.53Å; H194-Y361 AromaticContact CD2-CG 3.84Å; H194-Y361 AromaticContact CD2-CZ 3.84Å; H194-Y361 AromaticContact NE2-CD1 3.88Å
195L93.7Very high79.8Confident0 Ų042 Ų420%022%0.216CC..EExtended strand (participates in β ladder)trans-131.9126.1-174.7177.762.1000109.8Y103 V105 W168 P192 I197 L228 R235 C236 V237Y103-L195 WeakPolarHBondContact O-CA 3.43Å; V105-L195 HydrophobicContact CG2-CD1 3.79Å; W168-L195 HydrophobicContact CE3-CD2 4.34Å; W168-L195 HydrophobicContact CH2-CD1 3.75Å; W168-L195 HydrophobicContact CZ3-CD1 3.67Å; W168-L195 HydrophobicContact CZ3-CD2 3.66Å; W168-L195 HydrophobicContact CZ3-CG 4.33Å; P192-L195 HydrophobicContact CB-CB 4.34Å; P192-L195 HydrophobicContact CG-CB 4.46Å; L195-I197 HydrophobicContact CD1-CG1 4.29Å; L195-I197 HydrophobicContact CD2-CD1 3.91Å; L195-I197 HydrophobicContact CD2-CG1 4.31Å; L195-I197 HydrophobicContact CG-CD1 4.07Å; L195-I197 HydrophobicContact CG-CG1 3.9Å; L195-L228 HydrophobicContact CD2-CD2 4.16Å; L195-R235 PolarHBondContact N-O 3.25Å; L195-C236 CarbonylContact O-C 3.57Å; L195-C236 WeakPolarHBondContact O-CA 3.48Å; L195-V237 PolarHBondContact O-N 2.88Å
196I96Very high82.2Confident0 Ų039.7 Ų39.70%021%0.208CC..EExtended strand (participates in β ladder)trans-120.9124.9-179.3-58.5157.2000108.4Y103 F104 V105 L110 V237 L357Y103-I196 PolarHBondContact O-N 3.12Å; F104-I196 CarbonylContact C-O 3.57Å; F104-I196 WeakPolarHBondContact CA-O 3.46Å; F104-I196 HydrophobicContact CD1-CB 4.06Å; F104-I196 HydrophobicContact CD1-CD1 4.07Å; F104-I196 HydrophobicContact CD1-CG2 4.19Å; F104-I196 HydrophobicContact CE1-CB 4.33Å; F104-I196 HydrophobicContact CE1-CD1 3.53Å; F104-I196 HydrophobicContact CE1-CG2 4.36Å; F104-I196 HydrophobicContact CE2-CD1 4.02Å; F104-I196 HydrophobicContact CG-CB 4.46Å; F104-I196 HydrophobicContact CZ-CD1 3.51Å; V105-I196 PolarHBondContact N-O 3.08Å; L110-I196 HydrophobicContact CD1-CG2 4Å; I196-V237 WeakPolarHBondContact CA-O 3.47Å; I196-V237 HydrophobicContact CG1-CB 4.31Å; I196-L357 HydrophobicContact CD1-CD1 3.78Å; I196-L357 HydrophobicContact CD1-CD2 3.89Å; I196-L357 HydrophobicContact CD1-CG 4.49Å; I196-L357 HydrophobicContact CG1-CD2 4.38Å
197I95.6Very high84.8Confident5 Ų536.4 Ų36.43%0.02618%0.184CC..EExtended strand (participates in β ladder)trans-126.5135.1-172.1-42.8176.6000110.7V105 L195 M199 L228 V237 W238 M239V105-I197 WeakPolarHBondContact O-CA 3.42Å; L195-I197 HydrophobicContact CD1-CG1 4.29Å; L195-I197 HydrophobicContact CD2-CD1 3.91Å; L195-I197 HydrophobicContact CD2-CG1 4.31Å; L195-I197 HydrophobicContact CG-CD1 4.07Å; L195-I197 HydrophobicContact CG-CG1 3.9Å; I197-M199 HydrophobicContact CG2-CE 4.1Å; I197-L228 HydrophobicContact CD1-CD1 3.94Å; I197-L228 HydrophobicContact CD1-CD2 3.81Å; I197-V237 PolarHBondContact N-O 2.89Å; I197-W238 HydrophobicContact CB-CE3 3.83Å; I197-W238 HydrophobicContact CB-CZ3 4.01Å; I197-W238 HydrophobicContact CG2-CE3 3.89Å; I197-W238 HydrophobicContact CG2-CH2 4.41Å; I197-W238 HydrophobicContact CG2-CZ3 3.5Å; I197-M239 PolarHBondContact O-N 2.81Å
198S94.8Very high86.8Confident4 Ų437 Ų373%0.02819%0.187CC..EExtended strand (participates in β ladder)trans-161.3125.1169.1-159.30000112.5V105 G106 D107 M239 Q241V105-S198 PolarHBondContact O-N 3.44Å; G106-S198 WeakPolarHBondContact CA-O 3.35Å; D107-S198 PolarHBondContact N-O 2.64Å; S198-M239 WeakPolarHBondContact CB-O 3.28Å; S198-M239 PolarHBondContact OG-O 3.06Å; S198-Q241 PolarHBondContact OG-NE2 3Å
199M93.1Very high88.3Confident0 Ų036.1 Ų36.10%017%0.173CC..  trans-162.9163.7179.156.2-173.368.900111V105 H154 I157 T161 I197 Y217 W238V105-M199 HydrophobicContact CG1-CE 3.92Å; H154-M199 HydrophobicContact CB-CE 3.79Å; H154-M199 HydrophobicContact CB-SD 4.5Å; I157-M199 HydrophobicContact CB-SD 4.23Å; I157-M199 HydrophobicContact CD1-CG 4.5Å; I157-M199 HydrophobicContact CG1-CG 3.79Å; I157-M199 HydrophobicContact CG1-SD 3.37Å; I157-M199 WeakPolarHBondContact CG1-SD 3.39Å; T161-M199 HydrophobicContact CG2-CE 4Å; T161-M199 HydrophobicContact CG2-SD 4.17Å; I197-M199 HydrophobicContact CG2-CE 4.1Å; M199-Y217 WeakPolarHBondContact O-CE2 3.38Å; M199-Y217 PolarHBondContact O-OH 3.05Å; M199-W238 HydrophobicContact CG-CH2 4.44Å
200G89.8Confident89.4Confident2 Ų235.8 Ų35.82%0.02118%0.175CC..  trans133.1-15.5174.700000116.7D155 K202 T203 I204 Y217D155-G200 PolarHBondContact O-N 2.86Å; G200-K202 PolarHBondContact O-N 2.84Å; G200-T203 PolarHBondContact O-N 2.93Å; G200-I204 PolarHBondContact O-N 3.35Å; G200-Y217 VanDerWaalsContact CA-CE2 3.43Å
201T90.5Very high90Very high1 Ų142.1 Ų42.11%0.00620%0.201CC..Hα-helixtrans-62.6-31.5173.642.70000112.4D107 I204 Q205 Q241 Y343D107-T201 PolarHBondContact OD2-OG1 3.3Å; T201-I204 WeakPolarHBondContact O-CB 3.5Å; T201-I204 PolarHBondContact O-N 3.36Å; T201-Q205 PolarHBondContact O-N 3.43Å; T201-Q241 HydrophobicContact CG2-CG 4.3Å; T201-Q241 VanDerWaalsContact CG2-OE1 3.29Å; T201-Y343 HydrophobicContact CG2-CE2 4.36Å; T201-Y343 PolarHBondContact OG1-OH 2.81Å
202K90Very high90.3Very high81 Ų8145.5 Ų45.535%0.35222%0.218SC..Hα-helixtrans-65.6-38.8176.3-169.173.6-175.5170.20112D155 E156 G200 I204 Q205 H206D155-K202 HydrophobicContact CB-CB 3.61Å; D155-K202 HydrophobicContact CB-CD 4.27Å; D155-K202 HydrophobicContact CB-CG 3.64Å; E156-K202 HydrophobicContact CG-CB 3.68Å; E156-K202 HydrophobicContact CG-CG 3.8Å; E156-K202 WeakPolarHBondContact OE1-CG 3.41Å; G200-K202 PolarHBondContact O-N 2.84Å; K202-I204 VanDerWaalsContact C-N 3.28Å; K202-I204 PolarHBondContact O-N 3.43Å; K202-Q205 CarbonylContact O-C 3.57Å; K202-Q205 WeakPolarHBondContact O-CA 3.36Å; K202-Q205 VanDerWaalsContact O-CB 3.3Å; K202-Q205 WeakPolarHBondContact O-CB 3.23Å; K202-Q205 PolarHBondContact O-N 3.1Å; K202-H206 PolarHBondContact O-N 3.19Å
203T91.5Very high90.3Very high8 Ų845.5 Ų45.55%0.04922%0.218CC..Hα-helixtrans-62.5-35.9177.7-39.40000111.9E156 G200 Q205 H206 Y207 G213E156-T203 WeakPolarHBondContact OE1-CA 3.18Å; E156-T203 PolarHBondContact OE1-N 3.03Å; G200-T203 PolarHBondContact O-N 2.93Å; T203-Q205 VanDerWaalsContact C-N 3.31Å; T203-Q205 PolarHBondContact O-N 3.34Å; T203-H206 PolarHBondContact O-N 3.41Å; T203-Y207 HydrophobicContact CG2-CD2 3.77Å; T203-Y207 HydrophobicContact CG2-CE2 3.99Å; T203-Y207 PolarHBondContact O-N 3Å; T203-G213 WeakPolarHBondContact CG2-O 3.41Å
204I90.7Very high90.4Very high2 Ų246.2 Ų46.21%0.0122%0.221CC..Hα-helixtrans-62.2-39.1172.3-59.6168.1000111.2G200 T201 K202 N208 R209 I256 L260 I261 Y264G200-I204 PolarHBondContact O-N 3.35Å; T201-I204 WeakPolarHBondContact O-CB 3.5Å; T201-I204 PolarHBondContact O-N 3.36Å; K202-I204 VanDerWaalsContact C-N 3.28Å; K202-I204 PolarHBondContact O-N 3.43Å; I204-N208 PolarHBondContact O-N 2.9Å; I204-R209 PolarHBondContact O-N 3.24Å; I204-I256 HydrophobicContact CG2-CG1 4.26Å; I204-L260 HydrophobicContact CD1-CB 4.24Å; I204-L260 HydrophobicContact CG2-CB 4.3Å; I204-L260 HydrophobicContact CG2-CD1 4.05Å; I204-I261 HydrophobicContact CD1-CG1 4.22Å; I204-Y264 HydrophobicContact CD1-CD1 4.27Å; I204-Y264 HydrophobicContact CD1-CD2 4.03Å; I204-Y264 HydrophobicContact CD1-CE1 4.42Å; I204-Y264 HydrophobicContact CD1-CE2 4.17Å; I204-Y264 HydrophobicContact CD1-CG 4.08Å; I204-Y264 HydrophobicContact CG1-CD1 4.07Å; I204-Y264 HydrophobicContact CG1-CD2 3.98Å; I204-Y264 HydrophobicContact CG1-CE1 3.72Å; I204-Y264 HydrophobicContact CG1-CE2 3.6Å; I204-Y264 HydrophobicContact CG1-CG 4.2Å; I204-Y264 VanDerWaalsContact CG1-CZ 3.46Å
205Q88.6Confident90.4Very high45 Ų4550 Ų5021%0.2124%0.241CC..Hα-helixtrans-71.2-46.6177-168.7-175.840.500111.7T201 K202 T203 N208 I255T201-Q205 PolarHBondContact O-N 3.43Å; K202-Q205 CarbonylContact O-C 3.57Å; K202-Q205 WeakPolarHBondContact O-CA 3.36Å; K202-Q205 VanDerWaalsContact O-CB 3.3Å; K202-Q205 WeakPolarHBondContact O-CB 3.23Å; K202-Q205 PolarHBondContact O-N 3.1Å; T203-Q205 VanDerWaalsContact C-N 3.31Å; T203-Q205 PolarHBondContact O-N 3.34Å; Q205-N208 PolarHBondContact O-N 3.5Å; Q205-I255 HydrophobicContact CG-CD1 4.49Å
206H88.6Confident90.3Very high123 Ų12354.4 Ų54.457%0.56926%0.262SS*.Hα-helixtrans-60.7-52.5-176.9-165.6156.3000111.3E156 K202 T203 N208E156-H206 WeakPolarHBondContact OE1-CB 3.47Å; E156-H206 IonicContact OE1-CG 3.91Å; E156-H206 IonicContact OE1-ND1 3.51Å; E156-H206 IonicContact OE2-ND1 3.33Å; E156-H206 PolarHBondContact OE2-ND1 3.21Å; K202-H206 PolarHBondContact O-N 3.19Å; T203-H206 PolarHBondContact O-N 3.41Å; H206-N208 PolarHBondContact O-N 2.9Å
207Y90.2Very high90.3Very high87 Ų8754.8 Ų54.834%0.34126%0.263SS..THydrogen-bonded Turntrans-858.9-179.7-70.3-93.3000113.5T203 R209 S210 D212 G213T203-Y207 HydrophobicContact CG2-CD2 3.77Å; T203-Y207 HydrophobicContact CG2-CE2 3.99Å; T203-Y207 PolarHBondContact O-N 3Å; Y207-R209 VanDerWaalsContact C-N 3.27Å; Y207-R209 PolarHBondContact O-N 3.33Å; Y207-R209 VanDerWaalsContact O-N 3.12Å; Y207-S210 WeakPolarHBondContact O-CB 3.43Å; Y207-S210 PolarHBondContact O-N 3.33Å; Y207-D212 HydrophobicContact CD1-CB 4.26Å; Y207-G213 VanDerWaalsContact CB-CA 3.46Å
208N88.5Confident90.1Very high111 Ų11156.9 Ų56.959%0.59427%0.274SS*.THydrogen-bonded Turntrans48.544.3170.8-159.211.1000114.1I204 Q205 H206I204-N208 PolarHBondContact O-N 2.9Å; Q205-N208 PolarHBondContact O-N 3.5Å; H206-N208 PolarHBondContact O-N 2.9Å
209R84.3Confident90Very high129 Ų12959.4 Ų59.449%0.48729%0.287SS..THydrogen-bonded Turntrans69.311-174.5-44.4-178.4173.8173.3-2.2117.9I204 Y207 K254 I255 L260I204-R209 PolarHBondContact O-N 3.24Å; Y207-R209 VanDerWaalsContact C-N 3.27Å; Y207-R209 PolarHBondContact O-N 3.33Å; Y207-R209 VanDerWaalsContact O-N 3.12Å; R209-K254 PolarHBondContact NH2-O 3.1Å; R209-I255 HydrophobicContact CG-CG2 3.87Å; R209-I255 WeakPolarHBondContact CG-O 3.4Å; R209-I255 PolarHBondContact NE-O 2.94Å; R209-L260 HydrophobicContact CB-CD1 3.93Å; R209-L260 HydrophobicContact CG-CD1 3.62Å
210S87Confident90Very high48 Ų4859.6 Ų59.634%0.33629%0.289SS..  trans-65.2152.6175.7-163.40000112.8Y207 D212 G213Y207-S210 WeakPolarHBondContact O-CB 3.43Å; Y207-S210 PolarHBondContact O-N 3.33Å; S210-D212 WeakPolarHBondContact CB-OD2 3.36Å; S210-D212 PolarHBondContact O-N 2.61Å; S210-D212 PolarHBondContact OG-N 3.38Å; S210-D212 PolarHBondContact OG-OD2 3.47Å; S210-G213 PolarHBondContact O-N 2.9Å
211E86.5Confident90.2Very high167 Ų16759.5 Ų59.578%0.7829%0.288SS*.Hα-helixtrans-62.9-28.2169.6-66.6-163.6133.800111.9G213 L214 L215E211-G213 PolarHBondContact O-N 3.18Å; E211-L214 WeakPolarHBondContact O-CB 3.43Å; E211-L214 PolarHBondContact O-N 2.94Å; E211-L215 PolarHBondContact O-N 3Å
212D89.3Confident90.3Very high102 Ų10264.8 Ų64.855%0.54531%0.31SS..Hα-helixtrans-57-39.7174.7-47.4-65.2000111.7Y207 S210 L214 L215 E216Y207-D212 HydrophobicContact CD1-CB 4.26Å; S210-D212 WeakPolarHBondContact CB-OD2 3.36Å; S210-D212 PolarHBondContact O-N 2.61Å; S210-D212 PolarHBondContact OG-N 3.38Å; S210-D212 PolarHBondContact OG-OD2 3.47Å; D212-L214 VanDerWaalsContact C-N 3.31Å; D212-L214 PolarHBondContact O-N 3.46Å; D212-L215 PolarHBondContact O-N 2.9Å; D212-E216 WeakPolarHBondContact O-CB 3.5Å; D212-E216 PolarHBondContact O-N 2.77Å
213G89.5Confident90.5Very high0 Ų066.1 Ų66.10%031%0.313CS..Hα-helixtrans-71-26.1178.800000113.6T203 Y207 S210 E211 Y217 Y264T203-G213 WeakPolarHBondContact CG2-O 3.41Å; Y207-G213 VanDerWaalsContact CB-CA 3.46Å; S210-G213 PolarHBondContact O-N 2.9Å; E211-G213 PolarHBondContact O-N 3.18Å; G213-Y217 WeakPolarHBondContact O-CB 3.41Å; G213-Y217 PolarHBondContact O-N 3.39Å; G213-Y264 PolarHBondContact O-OH 3.4Å
214L89.6Confident90.6Very high40 Ų4065.8 Ų65.821%0.20931%0.311CS..Hα-helixtrans-75.3-44.7170.7177.461.6000109.6E211 D212 E216 Y217 M218 Y264E211-L214 WeakPolarHBondContact O-CB 3.43Å; E211-L214 PolarHBondContact O-N 2.94Å; D212-L214 VanDerWaalsContact C-N 3.31Å; D212-L214 PolarHBondContact O-N 3.46Å; L214-E216 VanDerWaalsContact C-N 3.33Å; L214-E216 PolarHBondContact O-N 2.97Å; L214-Y217 PolarHBondContact O-N 2.91Å; L214-M218 HydrophobicContact CD1-CG 4.41Å; L214-M218 HydrophobicContact CD1-SD 4.45Å; L214-M218 HydrophobicContact CG-CG 4.49Å; L214-M218 HydrophobicContact CG-SD 3.99Å; L214-M218 WeakPolarHBondContact O-CB 3.3Å; L214-M218 WeakPolarHBondContact O-CG 3.46Å; L214-M218 PolarHBondContact O-N 2.79Å; L214-Y264 HydrophobicContact CB-CE2 4.08Å; L214-Y264 HydrophobicContact CD1-CD2 3.69Å; L214-Y264 HydrophobicContact CD1-CE2 3.73Å; L214-Y264 HydrophobicContact CD1-CG 4.21Å; L214-Y264 HydrophobicContact CG-CE2 4.47Å; L214-Y264 PolarHBondContact N-OH 2.82Å
215L91.8Very high90.7Very high96 Ų9666.5 Ų66.550%0.50332%0.316SS..Hα-helixtrans-60.6-41.2177.2-178.460.4000112.1E211 D212 M218 N219E211-L215 PolarHBondContact O-N 3Å; D212-L215 PolarHBondContact O-N 2.9Å; L215-M218 WeakPolarHBondContact O-CB 3.41Å; L215-M218 PolarHBondContact O-N 3.48Å; L215-N219 VanDerWaalsContact O-CG 3.26Å; L215-N219 PolarHBondContact O-N 2.88Å; L215-N219 PolarHBondContact O-ND2 3.28Å
216E91.6Very high90.7Very high91 Ų9167.8 Ų67.843%0.42533%0.33SS..Hα-helixtrans-72.8-37.1179.3-167.657.3-168.200112.2D212 L214 M218 N219 G220D212-E216 WeakPolarHBondContact O-CB 3.5Å; D212-E216 PolarHBondContact O-N 2.77Å; L214-E216 VanDerWaalsContact C-N 3.33Å; L214-E216 PolarHBondContact O-N 2.97Å; E216-M218 VanDerWaalsContact C-N 3.3Å; E216-M218 PolarHBondContact O-N 3.04Å; E216-N219 PolarHBondContact O-N 3.49Å; E216-N219 PolarHBondContact OE2-ND2 2.86Å; E216-N219 VanDerWaalsContact OE2-ND2 3.1Å; E216-G220 PolarHBondContact O-N 2.88Å
217Y94Very high90.7Very high8 Ų862.5 Ų62.53%0.03131%0.306CS..Hα-helixtrans-60.4-40167.4-175-106.3000112I157 M199 G200 G213 L214 N219 G220 V221 Y264 A268I157-Y217 HydrophobicContact CD1-CD2 4.45Å; I157-Y217 HydrophobicContact CD1-CE2 4.12Å; M199-Y217 WeakPolarHBondContact O-CE2 3.38Å; M199-Y217 PolarHBondContact O-OH 3.05Å; G200-Y217 VanDerWaalsContact CA-CE2 3.43Å; G213-Y217 WeakPolarHBondContact O-CB 3.41Å; G213-Y217 PolarHBondContact O-N 3.39Å; L214-Y217 PolarHBondContact O-N 2.91Å; Y217-N219 VanDerWaalsContact C-N 3.31Å; Y217-N219 PolarHBondContact O-N 2.53Å; Y217-G220 PolarHBondContact O-N 3.28Å; Y217-V221 HydrophobicContact CD1-CG2 4.05Å; Y217-V221 HydrophobicContact CD2-CG2 4.35Å; Y217-V221 HydrophobicContact CE1-CG2 3.73Å; Y217-V221 HydrophobicContact CE2-CG2 4.04Å; Y217-V221 HydrophobicContact CG-CG2 4.37Å; Y217-V221 WeakPolarHBondContact O-CB 3.39Å; Y217-V221 VanDerWaalsContact O-CG2 3.29Å; Y217-V221 WeakPolarHBondContact O-CG2 3.39Å; Y217-V221 PolarHBondContact O-N 2.88Å; Y217-Y264 AromaticContact CD1-CD1 3.29Å; Y217-Y264 HydrophobicContact CD1-CD1 3.29Å; Y217-Y264 AromaticContact CD1-CE1 3.77Å; Y217-Y264 HydrophobicContact CD1-CE1 3.77Å; Y217-Y264 HydrophobicContact CD1-CG 4.05Å; Y217-Y264 AromaticContact CD2-CD1 3.99Å; Y217-Y264 HydrophobicContact CD2-CD1 3.99Å; Y217-Y264 HydrophobicContact CD2-CE1 4.05Å; Y217-Y264 AromaticContact CE1-CD1 3.58Å; Y217-Y264 HydrophobicContact CE1-CD1 3.58Å; Y217-Y264 HydrophobicContact CE1-CE1 4.44Å; Y217-Y264 HydrophobicContact CE1-CG 4.19Å; Y217-Y264 HydrophobicContact CE2-CD1 4.25Å; Y217-Y264 AromaticContact CG-CD1 3.5Å; Y217-Y264 HydrophobicContact CG-CD1 3.5Å; Y217-Y264 VanDerWaalsContact CG-CD1 3.5Å; Y217-Y264 AromaticContact CG-CE1 3.52Å; Y217-Y264 HydrophobicContact CG-CE1 3.52Å; Y217-A268 HydrophobicContact CE1-CB 4.16Å
218M92.5Very high90.7Very high50 Ų5058.6 Ų58.625%0.24629%0.291CS..Hα-helixtrans-62-38.1175.2-69.8165.268.700112.1L214 L215 E216 K222 F267L214-M218 HydrophobicContact CD1-CG 4.41Å; L214-M218 HydrophobicContact CD1-SD 4.45Å; L214-M218 HydrophobicContact CG-CG 4.49Å; L214-M218 HydrophobicContact CG-SD 3.99Å; L214-M218 WeakPolarHBondContact O-CB 3.3Å; L214-M218 WeakPolarHBondContact O-CG 3.46Å; L214-M218 PolarHBondContact O-N 2.79Å; L215-M218 WeakPolarHBondContact O-CB 3.41Å; L215-M218 PolarHBondContact O-N 3.48Å; E216-M218 VanDerWaalsContact C-N 3.3Å; E216-M218 PolarHBondContact O-N 3.04Å; M218-K222 WeakPolarHBondContact O-CB 3.39Å; M218-K222 VanDerWaalsContact O-CG 3.26Å; M218-K222 WeakPolarHBondContact O-CG 3.08Å; M218-K222 PolarHBondContact O-N 3.49Å; M218-K222 VanDerWaalsContact O-N 3.16Å; M218-F267 VanDerWaalsContact CA-CE1 3.45Å; M218-F267 HydrophobicContact CB-CD1 4.1Å; M218-F267 HydrophobicContact CB-CD2 4.48Å; M218-F267 HydrophobicContact CB-CE1 3.73Å; M218-F267 HydrophobicContact CB-CE2 4.12Å; M218-F267 HydrophobicContact CB-CG 4.47Å; M218-F267 HydrophobicContact CB-CZ 3.74Å; M218-F267 HydrophobicContact CE-CD2 3.8Å; M218-F267 HydrophobicContact CE-CE2 3.63Å; M218-F267 HydrophobicContact CE-CZ 4.37Å; M218-F267 HydrophobicContact CG-CB 4.44Å; M218-F267 HydrophobicContact CG-CD1 3.62Å; M218-F267 HydrophobicContact CG-CD2 3.68Å; M218-F267 HydrophobicContact CG-CE1 3.76Å; M218-F267 HydrophobicContact CG-CE2 3.8Å; M218-F267 HydrophobicContact CG-CG 3.59Å; M218-F267 HydrophobicContact CG-CZ 3.84Å; M218-F267 HydrophobicContact SD-CD2 4.26Å; M218-F267 HydrophobicContact SD-CE2 4.47Å
219N92.4Very high90.7Very high57 Ų5757.5 Ų57.531%0.30528%0.282SS..Hα-helixtrans-68.6-49.1175.3-67.1-26.9000111.4L215 E216 Y217 V221 K222 R223L215-N219 VanDerWaalsContact O-CG 3.26Å; L215-N219 PolarHBondContact O-N 2.88Å; L215-N219 PolarHBondContact O-ND2 3.28Å; E216-N219 PolarHBondContact O-N 3.49Å; E216-N219 PolarHBondContact OE2-ND2 2.86Å; E216-N219 VanDerWaalsContact OE2-ND2 3.1Å; Y217-N219 VanDerWaalsContact C-N 3.31Å; Y217-N219 PolarHBondContact O-N 2.53Å; N219-V221 PolarHBondContact O-N 3.09Å; N219-K222 PolarHBondContact O-N 3.35Å; N219-R223 VanDerWaalsContact O-CG 3.31Å; N219-R223 WeakPolarHBondContact O-CG 3.37Å; N219-R223 PolarHBondContact O-N 3.25Å
220G93.5Very high90.7Very high4 Ų457.4 Ų57.44%0.04129%0.288CS..Hα-helixtrans-56.6-50.5176.900000112.4E216 Y217 K222 R223 L224E216-G220 PolarHBondContact O-N 2.88Å; Y217-G220 PolarHBondContact O-N 3.28Å; G220-K222 VanDerWaalsContact C-N 3.34Å; G220-K222 PolarHBondContact O-N 3.27Å; G220-R223 PolarHBondContact O-N 3Å; G220-L224 PolarHBondContact O-N 3.48Å
221V94.5Very high90.6Very high0 Ų055.2 Ų55.20%027%0.272CS..Hα-helixtrans-57.7-43.9176.1169.20000111.5I157 Y217 N219 L224 T225 F267 A271 M272I157-V221 HydrophobicContact CD1-CB 4.2Å; I157-V221 HydrophobicContact CD1-CG2 3.42Å; I157-V221 VanDerWaalsContact CD1-CG2 3.42Å; Y217-V221 HydrophobicContact CD1-CG2 4.05Å; Y217-V221 HydrophobicContact CD2-CG2 4.35Å; Y217-V221 HydrophobicContact CE1-CG2 3.73Å; Y217-V221 HydrophobicContact CE2-CG2 4.04Å; Y217-V221 HydrophobicContact CG-CG2 4.37Å; Y217-V221 WeakPolarHBondContact O-CB 3.39Å; Y217-V221 VanDerWaalsContact O-CG2 3.29Å; Y217-V221 WeakPolarHBondContact O-CG2 3.39Å; Y217-V221 PolarHBondContact O-N 2.88Å; N219-V221 PolarHBondContact O-N 3.09Å; V221-L224 PolarHBondContact O-N 3.48Å; V221-T225 WeakPolarHBondContact O-CG2 3.44Å; V221-T225 PolarHBondContact O-N 3.5Å; V221-T225 PolarHBondContact O-OG1 3.06Å; V221-F267 HydrophobicContact CB-CD1 4.44Å; V221-F267 HydrophobicContact CB-CE1 3.99Å; V221-F267 HydrophobicContact CG1-CD1 4.32Å; V221-F267 HydrophobicContact CG1-CE1 3.88Å; V221-A271 HydrophobicContact CG1-CB 3.58Å; V221-M272 HydrophobicContact CG1-CE 4.12Å
222K92.8Very high90.2Very high111 Ų11153.4 Ų53.448%0.48326%0.261SS..Hα-helixtrans-61-45.6176.3-79.4171178.21740112.3M218 N219 G220 L224 T225 S226 F267M218-K222 WeakPolarHBondContact O-CB 3.39Å; M218-K222 VanDerWaalsContact O-CG 3.26Å; M218-K222 WeakPolarHBondContact O-CG 3.08Å; M218-K222 PolarHBondContact O-N 3.49Å; M218-K222 VanDerWaalsContact O-N 3.16Å; N219-K222 PolarHBondContact O-N 3.35Å; G220-K222 VanDerWaalsContact C-N 3.34Å; G220-K222 PolarHBondContact O-N 3.27Å; K222-L224 VanDerWaalsContact C-N 3.29Å; K222-L224 PolarHBondContact O-N 3.29Å; K222-T225 WeakPolarHBondContact CA-OG1 3.32Å; K222-T225 PolarHBondContact O-N 3.22Å; K222-T225 PolarHBondContact O-OG1 3.34Å; K222-S226 PolarHBondContact O-N 3.18Å; K222-F267 HydrophobicContact CG-CZ 4.23Å
223R93.6Very high89.8Confident109 Ų10953 Ų5341%0.41126%0.255SS..Hα-helixtrans-61.8-39.6177.4-66170.178.4-140.5-0.6111.1D159 L162 N219 G220 S226D159-R223 IonicContact OD1-CZ 2.77Å; D159-R223 IonicContact OD1-NH1 3.83Å; D159-R223 PolarHBondContact OD1-NH1 3.28Å; D159-R223 IonicContact OD1-NH2 3.95Å; D159-R223 PolarHBondContact OD1-NH2 3.04Å; L162-R223 HydrophobicContact CD1-CB 3.84Å; L162-R223 VanDerWaalsContact CD1-CZ 3.45Å; L162-R223 HydrophobicContact CD2-CB 4.29Å; N219-R223 VanDerWaalsContact O-CG 3.31Å; N219-R223 WeakPolarHBondContact O-CG 3.37Å; N219-R223 PolarHBondContact O-N 3.25Å; G220-R223 PolarHBondContact O-N 3Å; R223-S226 PolarHBondContact O-OG 2.69Å
224L93.6Very high89.6Confident1 Ų153.4 Ų53.41%0.00526%0.258CS..Hα-helixtrans-67.2-40.3175.3-176.859000112.2I157 L162 V165 G220 V221 K222 S226 V227 L228 W238 M272I157-L224 HydrophobicContact CD1-CD2 4.32Å; I157-L224 HydrophobicContact CG1-CD2 4.49Å; I157-L224 HydrophobicContact CG2-CB 4.17Å; I157-L224 HydrophobicContact CG2-CD2 4.4Å; L162-L224 HydrophobicContact CD2-CB 4Å; L162-L224 HydrophobicContact CD2-CD1 4.1Å; V165-L224 HydrophobicContact CG2-CD1 4.24Å; G220-L224 PolarHBondContact O-N 3.48Å; V221-L224 PolarHBondContact O-N 3.48Å; K222-L224 VanDerWaalsContact C-N 3.29Å; K222-L224 PolarHBondContact O-N 3.29Å; L224-S226 VanDerWaalsContact C-N 3.31Å; L224-S226 PolarHBondContact O-N 3.32Å; L224-V227 PolarHBondContact O-N 3.4Å; L224-V227 VanDerWaalsContact O-N 3.13Å; L224-L228 HydrophobicContact CD1-CD1 4.25Å; L224-L228 HydrophobicContact CD1-CG 4.09Å; L224-L228 HydrophobicContact CD2-CD1 4.46Å; L224-L228 HydrophobicContact CG-CD1 3.88Å; L224-L228 HydrophobicContact CG-CG 4.19Å; L224-L228 WeakPolarHBondContact O-CG 3.35Å; L224-L228 PolarHBondContact O-N 2.91Å; L224-W238 HydrophobicContact CD2-CH2 4.39Å; L224-W238 HydrophobicContact CD2-CZ3 3.79Å; L224-M272 HydrophobicContact CD2-CE 4.13Å; L224-M272 HydrophobicContact CG-CE 4.29Å
225T92.4Very high89.5Confident18 Ų1855 Ų5511%0.1126%0.262CS..Hα-helixtrans-59.2-38.4177.447.50000113.3V221 K222 V227 L228 E229 A271 M272 V275V221-T225 WeakPolarHBondContact O-CG2 3.44Å; V221-T225 PolarHBondContact O-N 3.5Å; V221-T225 PolarHBondContact O-OG1 3.06Å; K222-T225 WeakPolarHBondContact CA-OG1 3.32Å; K222-T225 PolarHBondContact O-N 3.22Å; K222-T225 PolarHBondContact O-OG1 3.34Å; T225-V227 VanDerWaalsContact C-N 3.35Å; T225-V227 PolarHBondContact O-N 3.06Å; T225-L228 PolarHBondContact O-N 3.12Å; T225-E229 PolarHBondContact O-N 3.48Å; T225-E229 VanDerWaalsContact O-N 3.12Å; T225-A271 HydrophobicContact CG2-CB 4.21Å; T225-M272 HydrophobicContact CG2-CE 3.77Å; T225-M272 HydrophobicContact CG2-CG 4.42Å; T225-M272 HydrophobicContact CG2-SD 3.76Å; T225-V275 VanDerWaalsContact CB-CG2 3.49Å; T225-V275 HydrophobicContact CG2-CG2 3.6Å
226S88.6Confident89.5Confident72 Ų7250.7 Ų50.750%0.50324%0.239SC..Hα-helixtrans-65.9-33.317641.90000113.7K222 R223 L224K222-S226 PolarHBondContact O-N 3.18Å; R223-S226 PolarHBondContact O-OG 2.69Å; L224-S226 VanDerWaalsContact C-N 3.31Å; L224-S226 PolarHBondContact O-N 3.32Å
227V89.1Confident89.7Confident11 Ų1146.4 Ų46.47%0.06722%0.219CC..Hα-helixtrans-77.5-38.1176.9-173.40000110.9L162 V165 K166 I169 L224 T225 E229 E230L162-V227 HydrophobicContact CD2-CG2 4.27Å; V165-V227 HydrophobicContact CB-CG1 4.13Å; V165-V227 HydrophobicContact CG1-CB 4.38Å; V165-V227 HydrophobicContact CG1-CG1 3.61Å; K166-V227 HydrophobicContact CG-CG1 3.74Å; K166-V227 HydrophobicContact CG-CG2 4.31Å; I169-V227 HydrophobicContact CD1-CG1 3.67Å; L224-V227 PolarHBondContact O-N 3.4Å; L224-V227 VanDerWaalsContact O-N 3.13Å; T225-V227 VanDerWaalsContact C-N 3.35Å; T225-V227 PolarHBondContact O-N 3.06Å; V227-E229 PolarHBondContact O-N 2.84Å; V227-E230 PolarHBondContact O-N 3.18Å
228L90.8Very high89.7Confident6 Ų646.1 Ų46.13%0.03122%0.218CC..Hα-helixtrans-66.1-25.4177.1-69.9175.5000113.1V165 L195 I197 L224 T225 E230 L231 M272 V275 V278V165-L228 HydrophobicContact CG1-CD2 4.06Å; L195-L228 HydrophobicContact CD2-CD2 4.16Å; I197-L228 HydrophobicContact CD1-CD1 3.94Å; I197-L228 HydrophobicContact CD1-CD2 3.81Å; L224-L228 HydrophobicContact CD1-CD1 4.25Å; L224-L228 HydrophobicContact CD1-CG 4.09Å; L224-L228 HydrophobicContact CD2-CD1 4.46Å; L224-L228 HydrophobicContact CG-CD1 3.88Å; L224-L228 HydrophobicContact CG-CG 4.19Å; L224-L228 WeakPolarHBondContact O-CG 3.35Å; L224-L228 PolarHBondContact O-N 2.91Å; T225-L228 PolarHBondContact O-N 3.12Å; L228-E230 VanDerWaalsContact C-N 3.27Å; L228-E230 PolarHBondContact O-N 3.07Å; L228-L231 HydrophobicContact CD2-CD1 4.24Å; L228-L231 PolarHBondContact O-N 2.93Å; L228-M272 HydrophobicContact CD1-CE 4.01Å; L228-M272 HydrophobicContact CD1-SD 3.9Å; L228-V275 HydrophobicContact CB-CG1 4.24Å; L228-V278 HydrophobicContact CB-CG2 4.48Å; L228-V278 HydrophobicContact CD1-CG2 4.48Å
229E87.8Confident89.9Confident87 Ų8744 Ų4441%0.40721%0.207SC..THydrogen-bonded Turntrans-68.7-23.7175.4-169.5163-173.800113.1T225 V227 L231 K232 V275T225-E229 PolarHBondContact O-N 3.48Å; T225-E229 VanDerWaalsContact O-N 3.12Å; V227-E229 PolarHBondContact O-N 2.84Å; E229-L231 VanDerWaalsContact C-N 3.34Å; E229-K232 WeakPolarHBondContact O-CE 3.25Å; E229-K232 WeakPolarHBondContact O-CG 3.14Å; E229-K232 IonicContact OE1-NZ 3.76Å; E229-K232 PolarHBondContact OE1-NZ 3.25Å; E229-V275 HydrophobicContact CB-CG1 4.03Å
230E84.9Confident90Very high128 Ų12841.9 Ų41.960%0.59820%0.196SC*.THydrogen-bonded Turntrans-77.4-21.5173.2-67.9178.3-158.500112.4I169 V227 L228 K232I169-E230 HydrophobicContact CD1-CB 3.68Å; I169-E230 HydrophobicContact CG1-CB 4.28Å; I169-E230 HydrophobicContact CG2-CB 4.41Å; V227-E230 PolarHBondContact O-N 3.18Å; L228-E230 VanDerWaalsContact C-N 3.27Å; L228-E230 PolarHBondContact O-N 3.07Å; E230-K232 PolarHBondContact O-N 3.31Å
231L84.4Confident90.1Very high1 Ų142 Ų421%0.00520%0.196CC..  trans-81.131.4-173.3-100.8158.3000115.1V165 W168 I169 L228 E229 F233 A234V165-L231 HydrophobicContact CG1-CD1 3.27Å; W168-L231 HydrophobicContact CB-CD2 4.39Å; W168-L231 HydrophobicContact CE3-CD1 4.22Å; I169-L231 HydrophobicContact CD1-CD1 4.4Å; I169-L231 HydrophobicContact CD1-CG 4.29Å; I169-L231 HydrophobicContact CG1-CD1 4.32Å; I169-L231 HydrophobicContact CG1-CG 3.88Å; L228-L231 HydrophobicContact CD2-CD1 4.24Å; L228-L231 PolarHBondContact O-N 2.93Å; E229-L231 VanDerWaalsContact C-N 3.34Å; L231-F233 HydrophobicContact CD2-CD2 4.45Å; L231-F233 HydrophobicContact CD2-CE1 4.02Å; L231-F233 HydrophobicContact CD2-CE2 3.63Å; L231-F233 HydrophobicContact CD2-CZ 3.39Å; L231-F233 PolarHBondContact O-N 3.2Å; L231-A234 HydrophobicContact CD2-CB 4.08Å; L231-A234 PolarHBondContact O-N 2.89Å
232K76.9Confident90Very high129 Ų12942.1 Ų42.156%0.56120%0.196SC*.THydrogen-bonded Turntrans-61.7-8.8-170.6-51.6-161.2-178.5-160.50115.5E229 E230 S276E229-K232 WeakPolarHBondContact O-CE 3.25Å; E229-K232 WeakPolarHBondContact O-CG 3.14Å; E229-K232 IonicContact OE1-NZ 3.76Å; E229-K232 PolarHBondContact OE1-NZ 3.25Å; E230-K232 PolarHBondContact O-N 3.31Å; K232-S276 WeakPolarHBondContact CE-OG 3.29Å; K232-S276 PolarHBondContact NZ-OG 3.28Å
233F80.7Confident90Very high95 Ų9537 Ų3742%0.41718%0.175SC..THydrogen-bonded Turntrans-85.2-18.4173.661.1-104.9000114.3T172 T191 L231T172-F233 HydrophobicContact CG2-CE1 4.01Å; T172-F233 HydrophobicContact CG2-CZ 4.35Å; T191-F233 HydrophobicContact CG2-CE2 3.75Å; T191-F233 HydrophobicContact CG2-CZ 3.7Å; L231-F233 HydrophobicContact CD2-CD2 4.45Å; L231-F233 HydrophobicContact CD2-CE1 4.02Å; L231-F233 HydrophobicContact CD2-CE2 3.63Å; L231-F233 HydrophobicContact CD2-CZ 3.39Å; L231-F233 PolarHBondContact O-N 3.2Å
234A85.4Confident89.9Confident8 Ų832.1 Ų32.17%0.06616%0.157CC..SBendtrans-103.5131.6-177.600000110.8P192 L231 C236P192-A234 HydrophobicContact CG-CB 4.32Å; P192-A234 WeakPolarHBondContact O-CB 3.48Å; L231-A234 HydrophobicContact CD2-CB 4.08Å; L231-A234 PolarHBondContact O-N 2.89Å; A234-C236 PolarHBondContact O-N 3.12Å; A234-C236 VanDerWaalsContact O-N 3.12Å; A234-C236 PolarHBondContact O-SG 3.43Å
235R87.6Confident89.8Confident74 Ų7433 Ų3328%0.27916%0.164SC..EExtended strand (participates in β ladder)trans-76.1104.5176.3-171174.3-177.9-177.42.9109.8T193 H194 L195 E279 L360 Y361T193-R235 PolarHBondContact O-N 3.44Å; H194-R235 WeakPolarHBondContact CA-O 3.49Å; L195-R235 PolarHBondContact N-O 3.25Å; R235-E279 IonicContact CZ-OE1 2.59Å; R235-E279 IonicContact CZ-OE2 2.65Å; R235-E279 IonicContact NE-OE1 2.96Å; R235-E279 IonicContact NE-OE2 2.72Å; R235-E279 PolarHBondContact NE-OE2 3.34Å; R235-E279 VanDerWaalsContact NH2-CD 3.27Å; R235-E279 IonicContact NH2-OE1 3.97Å; R235-E279 PolarHBondContact NH2-OE1 3.4Å; R235-E279 IonicContact NH2-OE2 3.99Å; R235-E279 PolarHBondContact NH2-OE2 3.29Å; R235-L360 PolarHBondContact NH1-O 2.95Å; R235-Y361 HydrophobicContact CG-CE1 4.5Å
236C92.9Very high89.5Confident4 Ų435.9 Ų35.93%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-96.2133.1-172.3-640000112L195 A234 V278 E279L195-C236 CarbonylContact O-C 3.57Å; L195-C236 WeakPolarHBondContact O-CA 3.48Å; A234-C236 PolarHBondContact O-N 3.12Å; A234-C236 VanDerWaalsContact O-N 3.12Å; A234-C236 PolarHBondContact O-SG 3.43Å; C236-V278 HydrophobicContact CB-CG2 3.99Å; C236-V278 WeakPolarHBondContact O-CA 3.37Å; C236-E279 PolarHBondContact O-N 2.85Å
237V94.4Very high89.4Confident1 Ų137.3 Ų37.31%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-123.4123.3175.7-179.40000109.8L195 I196 I197 E279 W281 L360 Y361L195-V237 PolarHBondContact O-N 2.88Å; I196-V237 WeakPolarHBondContact CA-O 3.47Å; I196-V237 HydrophobicContact CG1-CB 4.31Å; I197-V237 PolarHBondContact N-O 2.89Å; V237-E279 CarbonylContact C-O 3.43Å; V237-E279 VanDerWaalsContact CA-O 3.29Å; V237-E279 WeakPolarHBondContact CA-O 3.36Å; V237-E279 HydrophobicContact CG2-CB 4.44Å; V237-W281 HydrophobicContact CG1-CB 3.88Å; V237-W281 HydrophobicContact CG1-CE3 4.22Å; V237-L360 HydrophobicContact CG2-CD2 3.71Å; V237-Y361 HydrophobicContact CG2-CE1 4.3Å; V237-Y361 WeakPolarHBondContact CG2-OH 3.45Å
238W95.2Very high89.2Confident3 Ų340.4 Ų40.41%0.01120%0.202CC..EExtended strand (participates in β ladder)trans-97.7108.3171.2-175.7-87.9000109.7I157 I197 M199 L224 A268 M272 V278 E279 I280 W281I157-W238 HydrophobicContact CD1-CH2 4.37Å; I197-W238 HydrophobicContact CB-CE3 3.83Å; I197-W238 HydrophobicContact CB-CZ3 4.01Å; I197-W238 HydrophobicContact CG2-CE3 3.89Å; I197-W238 HydrophobicContact CG2-CH2 4.41Å; I197-W238 HydrophobicContact CG2-CZ3 3.5Å; M199-W238 HydrophobicContact CG-CH2 4.44Å; L224-W238 HydrophobicContact CD2-CH2 4.39Å; L224-W238 HydrophobicContact CD2-CZ3 3.79Å; W238-A268 HydrophobicContact CZ2-CB 4.04Å; W238-M272 HydrophobicContact CB-CB 4.44Å; W238-M272 HydrophobicContact CB-CG 4.17Å; W238-M272 HydrophobicContact CD2-CE 4.03Å; W238-M272 HydrophobicContact CD2-CG 3.82Å; W238-M272 HydrophobicContact CD2-SD 4.14Å; W238-M272 HydrophobicContact CE3-CE 3.47Å; W238-M272 VanDerWaalsContact CE3-CE 3.47Å; W238-M272 HydrophobicContact CE3-CG 4.17Å; W238-M272 HydrophobicContact CE3-SD 3.87Å; W238-M272 HydrophobicContact CG-CB 4.42Å; W238-M272 HydrophobicContact CG-CG 3.8Å; W238-M272 HydrophobicContact CG-SD 4.42Å; W238-M272 HydrophobicContact CH2-CE 4.07Å; W238-M272 HydrophobicContact CZ3-CE 3.49Å; W238-M272 VanDerWaalsContact CZ3-CE 3.49Å; W238-M272 HydrophobicContact CZ3-SD 4.49Å; W238-V278 HydrophobicContact CB-CG1 3.94Å; W238-E279 PolarHBondContact N-O 2.99Å; W238-I280 WeakPolarHBondContact O-CA 3.49Å; W238-W281 PolarHBondContact O-N 2.96Å
239M95.9Very high89Confident4 Ų440.4 Ų40.42%0.0220%0.202CC..EExtended strand (participates in β ladder)trans-84.5120.5176.7173.9179.4168.700109.5L110 L113 I197 S198 D242 W281 N284L110-M239 HydrophobicContact CD1-SD 3.94Å; L113-M239 HydrophobicContact CD2-SD 3.75Å; I197-M239 PolarHBondContact O-N 2.81Å; S198-M239 WeakPolarHBondContact CB-O 3.28Å; S198-M239 PolarHBondContact OG-O 3.06Å; M239-D242 VanDerWaalsContact CE-OD2 3.31Å; M239-D242 WeakPolarHBondContact CE-OD2 2.99Å; M239-W281 HydrophobicContact CB-CE3 3.97Å; M239-W281 HydrophobicContact CG-CD2 4.47Å; M239-W281 HydrophobicContact CG-CE3 4.03Å; M239-W281 HydrophobicContact CG-CZ3 4.47Å; M239-W281 HydrophobicContact SD-CE3 4.15Å; M239-W281 HydrophobicContact SD-CZ3 3.98Å; M239-N284 HydrophobicContact CE-CB 4.07Å
240L95.5Very high88.9Confident13 Ų1338.8 Ų38.87%0.06820%0.2CC..PPolyproline II helixtrans-65.3145.1172.9-66.2-170.2000110.7D242 N265 I280 W281 N284 R285L240-D242 PolarHBondContact O-N 2.94Å; L240-N265 WeakPolarHBondContact CA-OD1 3.34Å; L240-N265 WeakPolarHBondContact CB-OD1 3.47Å; L240-N265 HydrophobicContact CD1-CB 4.33Å; L240-N265 HydrophobicContact CD2-CB 4.21Å; L240-I280 HydrophobicContact CD1-CG2 4.37Å; L240-I280 HydrophobicContact CD2-CG2 4.15Å; L240-I280 HydrophobicContact CG-CG2 4.02Å; L240-W281 WeakPolarHBondContact CG-O 3.45Å; L240-W281 PolarHBondContact N-O 2.99Å; L240-N284 PolarHBondContact O-ND2 2.9Å; L240-R285 HydrophobicContact CB-CG 4.44Å
241Q94.7Very high89Confident8 Ų842.1 Ų42.14%0.03721%0.212CC..PPolyproline II helixtrans-61.7125.8179.1-76.9-71.4-19.300111.3D107 S198 T201 I261 N265 R285D107-Q241 PolarHBondContact OD2-NE2 3.2Å; S198-Q241 PolarHBondContact OG-NE2 3Å; T201-Q241 HydrophobicContact CG2-CG 4.3Å; T201-Q241 VanDerWaalsContact CG2-OE1 3.29Å; Q241-I261 HydrophobicContact CB-CG2 3.95Å; Q241-N265 PolarHBondContact N-OD1 3.46Å; Q241-N265 PolarHBondContact O-ND2 2.95Å; Q241-R285 WeakPolarHBondContact O-CD 3.33Å; Q241-R285 PolarHBondContact O-NE 3.35Å
242D93.4Very high89Confident2 Ų248.8 Ų48.81%0.01124%0.243CC..PPolyproline II helixtrans-62.1149.3177-79.6-44.3000111.5R109 M239 L240 N284 R285 A288 V345R109-D242 PolarHBondContact NH1-O 3.3Å; R109-D242 PolarHBondContact NH2-O 3.32Å; M239-D242 VanDerWaalsContact CE-OD2 3.31Å; M239-D242 WeakPolarHBondContact CE-OD2 2.99Å; L240-D242 PolarHBondContact O-N 2.94Å; D242-N284 VanDerWaalsContact OD1-C 3.25Å; D242-N284 PolarHBondContact OD1-ND2 2.95Å; D242-R285 PolarHBondContact OD1-N 3.48Å; D242-A288 HydrophobicContact CB-CB 4.12Å; D242-V345 HydrophobicContact CB-CG2 3.79Å
243P93.2Very high89.5Confident4 Ų444.2 Ų44.23%0.02623%0.225CC..PPolyproline II helixtrans-58.1167.3169.528.7-37.9000112.2R109 N258 A288 L289 F293R109-P243 PolarHBondContact NH2-O 2.04Å; P243-N258 WeakPolarHBondContact CA-OD1 3.4Å; P243-N258 WeakPolarHBondContact CB-OD1 3.25Å; P243-A288 HydrophobicContact CG-CB 3.82Å; P243-L289 HydrophobicContact CB-CD2 4.09Å; P243-L289 HydrophobicContact CG-CD2 3.83Å; P243-L289 HydrophobicContact CG-CG 3.99Å; P243-F293 WeakPolarHBondContact O-CE2 3.5Å; P243-F293 VanDerWaalsContact O-CZ 3.3Å; P243-F293 WeakPolarHBondContact O-CZ 3.25Å
244V91.6Very high89.7Confident6 Ų644.5 Ų44.54%0.03623%0.226CC..  trans-125145.7177.4-67.90000111.3E246 L249 I256 N258 I261 G342 Y343V244-E246 HydrophobicContact CG2-CG 4.01Å; V244-E246 PolarHBondContact O-N 3.05Å; V244-L249 HydrophobicContact CB-CD1 4.26Å; V244-L249 HydrophobicContact CB-CD2 4.34Å; V244-L249 HydrophobicContact CG2-CD1 4.03Å; V244-I256 HydrophobicContact CG2-CG2 4.4Å; V244-N258 PolarHBondContact N-OD1 3.03Å; V244-N258 PolarHBondContact O-ND2 3.3Å; V244-N258 PolarHBondContact O-OD1 3.17Å; V244-I261 HydrophobicContact CB-CD1 4.37Å; V244-I261 HydrophobicContact CG1-CD1 3.77Å; V244-I261 HydrophobicContact CG2-CD1 3.83Å; V244-G342 CarbonylContact C-O 3.58Å; V244-G342 WeakPolarHBondContact CA-O 3.25Å; V244-G342 WeakPolarHBondContact CB-O 3.46Å; V244-Y343 HydrophobicContact CG1-CD2 4.31Å
245A89.7Confident89.9Confident18 Ų1846 Ų4615%0.14923%0.233CC..  trans-85.684.6172.200000110S247 L248 L249 F293 G342A245-S247 PolarHBondContact O-N 2.89Å; A245-L248 HydrophobicContact CB-CB 4.37Å; A245-L248 HydrophobicContact CB-CD1 4.1Å; A245-L248 HydrophobicContact CB-CG 4.31Å; A245-L248 PolarHBondContact O-N 2.99Å; A245-L249 PolarHBondContact O-N 3.41Å; A245-F293 HydrophobicContact CB-CB 4.13Å; A245-F293 HydrophobicContact CB-CD1 3.75Å; A245-F293 HydrophobicContact CB-CD2 4.03Å; A245-F293 HydrophobicContact CB-CE1 4.22Å; A245-F293 HydrophobicContact CB-CE2 4.46Å; A245-F293 HydrophobicContact CB-CG 3.66Å; A245-G342 PolarHBondContact N-O 2.97Å
246E87.7Confident90.1Very high80 Ų8042.6 Ų42.637%0.37422%0.22SC..THydrogen-bonded Turntrans-53-28-172.7-65.1177.4-148.300115.2V244 L248 L249 K254 T257 N258V244-E246 HydrophobicContact CG2-CG 4.01Å; V244-E246 PolarHBondContact O-N 3.05Å; E246-L248 VanDerWaalsContact C-N 3.33Å; E246-L249 HydrophobicContact CG-CD1 4.41Å; E246-K254 WeakPolarHBondContact O-CE 3.41Å; E246-T257 WeakPolarHBondContact OE1-CA 3.49Å; E246-N258 PolarHBondContact OE1-N 3.41Å; E246-N258 PolarHBondContact OE1-ND2 3.39Å
247S84.8Confident90Very high101 Ų10143.4 Ų43.471%0.70623%0.225SC*.THydrogen-bonded Turntrans-69.6-27.8175.552.70000113.7A245A245-S247 PolarHBondContact O-N 2.89Å
248L85.8Confident89.9Confident76 Ų7645 Ų4540%0.39823%0.233SC..THydrogen-bonded Turntrans-95.2-16.7-178.3-61.6-178.9000113.7A245 E246A245-L248 HydrophobicContact CB-CB 4.37Å; A245-L248 HydrophobicContact CB-CD1 4.1Å; A245-L248 HydrophobicContact CB-CG 4.31Å; A245-L248 PolarHBondContact O-N 2.99Å; E246-L248 VanDerWaalsContact C-N 3.33Å
249L86.5Confident89.8Confident7 Ų750.9 Ų50.94%0.03727%0.265CS..SBendtrans-57.8143.1-179.1-67.6178000112.8V244 A245 E246 L253 K254 I256 D341 G342V244-L249 HydrophobicContact CB-CD1 4.26Å; V244-L249 HydrophobicContact CB-CD2 4.34Å; V244-L249 HydrophobicContact CG2-CD1 4.03Å; A245-L249 PolarHBondContact O-N 3.41Å; E246-L249 HydrophobicContact CG-CD1 4.41Å; L249-L253 HydrophobicContact CB-CB 4.23Å; L249-L253 HydrophobicContact CD2-CB 4.1Å; L249-K254 HydrophobicContact CB-CG 3.81Å; L249-K254 WeakPolarHBondContact O-CE 3.39Å; L249-I256 WeakPolarHBondContact CD1-O 3.33Å; L249-D341 WeakPolarHBondContact CA-O 3.38Å; L249-G342 VanDerWaalsContact CD2-C 3.46Å
250S86.7Confident89.6Confident52 Ų5252 Ų5236%0.36427%0.271SS..  trans-60.3161170.376.80000111.5E252 L253 K254S250-E252 PolarHBondContact O-N 2.9Å; S250-E252 VanDerWaalsContact O-N 3.16Å; S250-L253 PolarHBondContact O-N 3.14Å; S250-L253 VanDerWaalsContact O-N 3.07Å; S250-L253 WeakPolarHBondContact OG-CG 3.43Å; S250-L253 PolarHBondContact OG-N 2.75Å; S250-K254 WeakPolarHBondContact O-CG 3.32Å; S250-K254 PolarHBondContact O-N 2.92Å
251K85.6Confident89.6Confident198 Ų19851.4 Ų51.486%0.86127%0.268SS*.THydrogen-bonded Turntrans-54.1-37.4179.7-75.4-174.9177179.40113
252E84.1Confident89.5Confident141 Ų14154.3 Ų54.366%0.65928%0.284SS*.THydrogen-bonded Turntrans-74.8-35.8178.7-67.4147.1-139.100112.8S250S250-E252 PolarHBondContact O-N 2.9Å; S250-E252 VanDerWaalsContact O-N 3.16Å
253L87.9Confident89.5Confident33 Ų3360 Ų6017%0.17331%0.308CS..G310 helixtrans-83.2-16.1-179.3-67.1174.2000113.2L249 S250 I255 I256 Y343L249-L253 HydrophobicContact CB-CB 4.23Å; L249-L253 HydrophobicContact CD2-CB 4.1Å; S250-L253 PolarHBondContact O-N 3.14Å; S250-L253 VanDerWaalsContact O-N 3.07Å; S250-L253 WeakPolarHBondContact OG-CG 3.43Å; S250-L253 PolarHBondContact OG-N 2.75Å; L253-I255 PolarHBondContact O-N 3.4Å; L253-I256 HydrophobicContact CD2-CD1 4.17Å; L253-I256 WeakPolarHBondContact O-CB 3.35Å; L253-I256 PolarHBondContact O-N 2.85Å; L253-Y343 HydrophobicContact CD1-CD2 4.31Å; L253-Y343 HydrophobicContact CD1-CG 4.09Å; L253-Y343 HydrophobicContact CD2-CD2 4.35Å; L253-Y343 HydrophobicContact CD2-CE2 4.48Å
254K86Confident89.6Confident102 Ų10260.1 Ų60.144%0.44331%0.308SS..G310 helixtrans-59.9-9.8173.1-81.9-176176.3-174.30114.8R209 E246 L249 S250 I256R209-K254 PolarHBondContact NH2-O 3.1Å; E246-K254 WeakPolarHBondContact O-CE 3.41Å; L249-K254 HydrophobicContact CB-CG 3.81Å; L249-K254 WeakPolarHBondContact O-CE 3.39Å; S250-K254 WeakPolarHBondContact O-CG 3.32Å; S250-K254 PolarHBondContact O-N 2.92Å; K254-I256 PolarHBondContact O-N 2.99Å
255I89.5Confident89.7Confident39 Ų3960 Ų6020%0.231%0.308CS..G310 helixtrans-60.7-31.4166.1-60.7173.7000110.4Q205 R209 L253Q205-I255 HydrophobicContact CG-CD1 4.49Å; R209-I255 HydrophobicContact CG-CG2 3.87Å; R209-I255 WeakPolarHBondContact CG-O 3.4Å; R209-I255 PolarHBondContact NE-O 2.94Å; L253-I255 PolarHBondContact O-N 3.4Å
256I90.6Very high90Very high2 Ų265.7 Ų65.71%0.0133%0.331CS..  trans-85.4127179.3-51.8175.5000110I204 V244 L249 L253 K254 I261 Y343I204-I256 HydrophobicContact CG2-CG1 4.26Å; V244-I256 HydrophobicContact CG2-CG2 4.4Å; L249-I256 WeakPolarHBondContact CD1-O 3.33Å; L253-I256 HydrophobicContact CD2-CD1 4.17Å; L253-I256 WeakPolarHBondContact O-CB 3.35Å; L253-I256 PolarHBondContact O-N 2.85Å; K254-I256 PolarHBondContact O-N 2.99Å; I256-I261 HydrophobicContact CG2-CD1 3.66Å; I256-I261 HydrophobicContact CG2-CG1 3.95Å; I256-Y343 HydrophobicContact CD1-CD2 4.22Å; I256-Y343 HydrophobicContact CD1-CE2 3.74Å
257T91.9Very high90.2Very high22 Ų2263.8 Ų63.814%0.13532%0.322CS..  trans-125.9160.8173.565.40000110.9E246 L260 I261E246-T257 WeakPolarHBondContact OE1-CA 3.49Å; T257-L260 PolarHBondContact O-N 2.89Å; T257-I261 PolarHBondContact O-N 3.09Å; T257-I261 VanDerWaalsContact O-N 3.07Å
258N92.7Very high90.7Very high34 Ų3459 Ų5918%0.18229%0.288CS..Hα-helixtrans-64.2-41179.4-70-77.5000112P243 V244 E246 L260 I261 D262P243-N258 WeakPolarHBondContact CA-OD1 3.4Å; P243-N258 WeakPolarHBondContact CB-OD1 3.25Å; V244-N258 PolarHBondContact N-OD1 3.03Å; V244-N258 PolarHBondContact O-ND2 3.3Å; V244-N258 PolarHBondContact O-OD1 3.17Å; E246-N258 PolarHBondContact OE1-N 3.41Å; E246-N258 PolarHBondContact OE1-ND2 3.39Å; N258-L260 PolarHBondContact O-N 2.75Å; N258-I261 CarbonylContact O-C 3.55Å; N258-I261 WeakPolarHBondContact O-CB 3.48Å; N258-I261 PolarHBondContact O-N 3.27Å; N258-I261 VanDerWaalsContact O-N 3.07Å; N258-D262 WeakPolarHBondContact O-CB 3.47Å; N258-D262 PolarHBondContact O-N 3.48Å
259D92.4Very high91Very high127 Ų12756 Ų5668%0.67927%0.274SS*.Hα-helixtrans-56.7-35.4175.9-69.92.1000113K263D259-K263 WeakPolarHBondContact O-CG 3.35Å; D259-K263 PolarHBondContact O-N 2.86Å
260L92.1Very high91.3Very high27 Ų2759.8 Ų59.814%0.14130%0.297CS..Hα-helixtrans-73.3-45.2174.3-90.2157.3000111.4I204 R209 T257 N258 D262 K263 Y264I204-L260 HydrophobicContact CD1-CB 4.24Å; I204-L260 HydrophobicContact CG2-CB 4.3Å; I204-L260 HydrophobicContact CG2-CD1 4.05Å; R209-L260 HydrophobicContact CB-CD1 3.93Å; R209-L260 HydrophobicContact CG-CD1 3.62Å; T257-L260 PolarHBondContact O-N 2.89Å; N258-L260 PolarHBondContact O-N 2.75Å; L260-D262 VanDerWaalsContact C-N 3.25Å; L260-D262 PolarHBondContact O-N 3.45Å; L260-K263 PolarHBondContact O-N 2.87Å; L260-Y264 HydrophobicContact CD2-CE2 4.12Å; L260-Y264 VanDerWaalsContact O-CD2 3.23Å; L260-Y264 WeakPolarHBondContact O-CD2 3.13Å; L260-Y264 PolarHBondContact O-N 3.12Å
261I94.3Very high91.6Very high1 Ų157.9 Ų57.91%0.00528%0.284CS..Hα-helixtrans-57.5-39.5174-72.1168.7000111.1I204 Q241 V244 I256 T257 N258 N265I204-I261 HydrophobicContact CD1-CG1 4.22Å; Q241-I261 HydrophobicContact CB-CG2 3.95Å; V244-I261 HydrophobicContact CB-CD1 4.37Å; V244-I261 HydrophobicContact CG1-CD1 3.77Å; V244-I261 HydrophobicContact CG2-CD1 3.83Å; I256-I261 HydrophobicContact CG2-CD1 3.66Å; I256-I261 HydrophobicContact CG2-CG1 3.95Å; T257-I261 PolarHBondContact O-N 3.09Å; T257-I261 VanDerWaalsContact O-N 3.07Å; N258-I261 CarbonylContact O-C 3.55Å; N258-I261 WeakPolarHBondContact O-CB 3.48Å; N258-I261 PolarHBondContact O-N 3.27Å; N258-I261 VanDerWaalsContact O-N 3.07Å; I261-N265 VanDerWaalsContact CG2-ND2 3.32Å; I261-N265 WeakPolarHBondContact CG2-ND2 3.24Å; I261-N265 WeakPolarHBondContact O-CB 3.28Å; I261-N265 VanDerWaalsContact O-CG 3.22Å; I261-N265 PolarHBondContact O-N 2.97Å; I261-N265 PolarHBondContact O-ND2 2.68Å; I261-N265 VanDerWaalsContact O-ND2 3.09Å
262D94.1Very high91.9Very high69 Ų6948.5 Ų48.537%0.36924%0.243SC..Hα-helixtrans-66.8-44.1178.1-90-70.3000112.4N258 L260 N265 E266 R285N258-D262 WeakPolarHBondContact O-CB 3.47Å; N258-D262 PolarHBondContact O-N 3.48Å; L260-D262 VanDerWaalsContact C-N 3.25Å; L260-D262 PolarHBondContact O-N 3.45Å; D262-N265 PolarHBondContact O-N 3.15Å; D262-E266 WeakPolarHBondContact O-CB 3.13Å; D262-E266 PolarHBondContact O-N 2.63Å; D262-R285 IonicContact OD1-CZ 3.41Å; D262-R285 IonicContact OD1-NH1 2.78Å; D262-R285 PolarHBondContact OD1-NH1 3.42Å; D262-R285 IonicContact OD1-NH2 3.46Å; D262-R285 PolarHBondContact OD1-NH2 2.89Å; D262-R285 VanDerWaalsContact OD1-NH2 3.12Å; D262-R285 IonicContact OD2-CZ 2.75Å; D262-R285 IonicContact OD2-NH1 3.77Å; D262-R285 IonicContact OD2-NH2 3.86Å; D262-R285 PolarHBondContact OD2-NH2 3.47Å
263K92.8Very high92.1Very high121 Ų12148.5 Ų48.553%0.52624%0.241SC..Hα-helixtrans-60.5-45.7173.4-73.3176.8178.4-174.20112.8D259 L260 E266 F267D259-K263 WeakPolarHBondContact O-CG 3.35Å; D259-K263 PolarHBondContact O-N 2.86Å; L260-K263 PolarHBondContact O-N 2.87Å; K263-E266 PolarHBondContact O-N 2.88Å; K263-F267 PolarHBondContact O-N 3.2Å
264Y94.7Very high92Very high7 Ų751.3 Ų51.33%0.02726%0.264CS..Hα-helixtrans-62.6-44177.2-85.8-118.2000110.9I204 G213 L214 Y217 L260 A268I204-Y264 HydrophobicContact CD1-CD1 4.27Å; I204-Y264 HydrophobicContact CD1-CD2 4.03Å; I204-Y264 HydrophobicContact CD1-CE1 4.42Å; I204-Y264 HydrophobicContact CD1-CE2 4.17Å; I204-Y264 HydrophobicContact CD1-CG 4.08Å; I204-Y264 HydrophobicContact CG1-CD1 4.07Å; I204-Y264 HydrophobicContact CG1-CD2 3.98Å; I204-Y264 HydrophobicContact CG1-CE1 3.72Å; I204-Y264 HydrophobicContact CG1-CE2 3.6Å; I204-Y264 HydrophobicContact CG1-CG 4.2Å; I204-Y264 VanDerWaalsContact CG1-CZ 3.46Å; G213-Y264 PolarHBondContact O-OH 3.4Å; L214-Y264 HydrophobicContact CB-CE2 4.08Å; L214-Y264 HydrophobicContact CD1-CD2 3.69Å; L214-Y264 HydrophobicContact CD1-CE2 3.73Å; L214-Y264 HydrophobicContact CD1-CG 4.21Å; L214-Y264 HydrophobicContact CG-CE2 4.47Å; L214-Y264 PolarHBondContact N-OH 2.82Å; Y217-Y264 AromaticContact CD1-CD1 3.29Å; Y217-Y264 HydrophobicContact CD1-CD1 3.29Å; Y217-Y264 AromaticContact CD1-CE1 3.77Å; Y217-Y264 HydrophobicContact CD1-CE1 3.77Å; Y217-Y264 HydrophobicContact CD1-CG 4.05Å; Y217-Y264 AromaticContact CD2-CD1 3.99Å; Y217-Y264 HydrophobicContact CD2-CD1 3.99Å; Y217-Y264 HydrophobicContact CD2-CE1 4.05Å; Y217-Y264 AromaticContact CE1-CD1 3.58Å; Y217-Y264 HydrophobicContact CE1-CD1 3.58Å; Y217-Y264 HydrophobicContact CE1-CE1 4.44Å; Y217-Y264 HydrophobicContact CE1-CG 4.19Å; Y217-Y264 HydrophobicContact CE2-CD1 4.25Å; Y217-Y264 AromaticContact CG-CD1 3.5Å; Y217-Y264 HydrophobicContact CG-CD1 3.5Å; Y217-Y264 VanDerWaalsContact CG-CD1 3.5Å; Y217-Y264 AromaticContact CG-CE1 3.52Å; Y217-Y264 HydrophobicContact CG-CE1 3.52Å; L260-Y264 HydrophobicContact CD2-CE2 4.12Å; L260-Y264 VanDerWaalsContact O-CD2 3.23Å; L260-Y264 WeakPolarHBondContact O-CD2 3.13Å; L260-Y264 PolarHBondContact O-N 3.12Å; Y264-A268 WeakPolarHBondContact O-CB 3.23Å; Y264-A268 PolarHBondContact O-N 2.79Å
265N94.9Very high92.1Very high4 Ų446.9 Ų46.92%0.02125%0.245CC..Hα-helixtrans-64.5-41176.4-83.7-35.4000113.2L240 Q241 I261 D262 A268 S269 R285L240-N265 WeakPolarHBondContact CA-OD1 3.34Å; L240-N265 WeakPolarHBondContact CB-OD1 3.47Å; L240-N265 HydrophobicContact CD1-CB 4.33Å; L240-N265 HydrophobicContact CD2-CB 4.21Å; Q241-N265 PolarHBondContact N-OD1 3.46Å; Q241-N265 PolarHBondContact O-ND2 2.95Å; I261-N265 VanDerWaalsContact CG2-ND2 3.32Å; I261-N265 WeakPolarHBondContact CG2-ND2 3.24Å; I261-N265 WeakPolarHBondContact O-CB 3.28Å; I261-N265 VanDerWaalsContact O-CG 3.22Å; I261-N265 PolarHBondContact O-N 2.97Å; I261-N265 PolarHBondContact O-ND2 2.68Å; I261-N265 VanDerWaalsContact O-ND2 3.09Å; D262-N265 PolarHBondContact O-N 3.15Å; N265-A268 PolarHBondContact O-N 3.33Å; N265-S269 VanDerWaalsContact O-CB 3.3Å; N265-S269 WeakPolarHBondContact O-CB 3.39Å; N265-S269 PolarHBondContact O-N 2.85Å; N265-R285 PolarHBondContact ND2-NE 2.88Å
266E94.6Very high91.8Very high136 Ų13647.8 Ų47.864%0.63626%0.255SS*.Hα-helixtrans-60.3-48.3178.4-179.2173.6-159.100110.6D262 K263 S269 T270D262-E266 WeakPolarHBondContact O-CB 3.13Å; D262-E266 PolarHBondContact O-N 2.63Å; K263-E266 PolarHBondContact O-N 2.88Å; E266-S269 PolarHBondContact O-OG 3.01Å; E266-T270 WeakPolarHBondContact O-CB 3.41Å; E266-T270 PolarHBondContact O-N 3.13Å; E266-T270 PolarHBondContact O-OG1 2.89Å
267F93.2Very high91.3Very high41 Ų4150.4 Ų50.418%0.1828%0.282CS..Hα-helixtrans-63-51.3175.6-177.3-92000112M218 V221 K222 K263 S269 T270 A271M218-F267 VanDerWaalsContact CA-CE1 3.45Å; M218-F267 HydrophobicContact CB-CD1 4.1Å; M218-F267 HydrophobicContact CB-CD2 4.48Å; M218-F267 HydrophobicContact CB-CE1 3.73Å; M218-F267 HydrophobicContact CB-CE2 4.12Å; M218-F267 HydrophobicContact CB-CG 4.47Å; M218-F267 HydrophobicContact CB-CZ 3.74Å; M218-F267 HydrophobicContact CE-CD2 3.8Å; M218-F267 HydrophobicContact CE-CE2 3.63Å; M218-F267 HydrophobicContact CE-CZ 4.37Å; M218-F267 HydrophobicContact CG-CB 4.44Å; M218-F267 HydrophobicContact CG-CD1 3.62Å; M218-F267 HydrophobicContact CG-CD2 3.68Å; M218-F267 HydrophobicContact CG-CE1 3.76Å; M218-F267 HydrophobicContact CG-CE2 3.8Å; M218-F267 HydrophobicContact CG-CG 3.59Å; M218-F267 HydrophobicContact CG-CZ 3.84Å; M218-F267 HydrophobicContact SD-CD2 4.26Å; M218-F267 HydrophobicContact SD-CE2 4.47Å; V221-F267 HydrophobicContact CB-CD1 4.44Å; V221-F267 HydrophobicContact CB-CE1 3.99Å; V221-F267 HydrophobicContact CG1-CD1 4.32Å; V221-F267 HydrophobicContact CG1-CE1 3.88Å; K222-F267 HydrophobicContact CG-CZ 4.23Å; K263-F267 PolarHBondContact O-N 3.2Å; F267-S269 VanDerWaalsContact C-N 3.28Å; F267-S269 PolarHBondContact O-N 3.45Å; F267-T270 WeakPolarHBondContact O-CA 3.24Å; F267-T270 PolarHBondContact O-N 3.27Å; F267-A271 HydrophobicContact CE1-CB 3.99Å; F267-A271 HydrophobicContact CZ-CB 4.19Å; F267-A271 PolarHBondContact O-N 3.29Å
268A94.3Very high91.2Very high0 Ų050.4 Ų50.40%028%0.282CS..Hα-helixtrans-58.6-40.5-179.300000111.8Y217 W238 Y264 N265 T270 M272Y217-A268 HydrophobicContact CE1-CB 4.16Å; W238-A268 HydrophobicContact CZ2-CB 4.04Å; Y264-A268 WeakPolarHBondContact O-CB 3.23Å; Y264-A268 PolarHBondContact O-N 2.79Å; N265-A268 PolarHBondContact O-N 3.33Å; A268-T270 VanDerWaalsContact C-N 3.31Å; A268-T270 PolarHBondContact O-N 2.91Å; A268-M272 VanDerWaalsContact O-CB 3.26Å; A268-M272 WeakPolarHBondContact O-CB 3.26Å; A268-M272 WeakPolarHBondContact O-CG 3.45Å; A268-M272 PolarHBondContact O-N 3.09Å
269S93Very high91.1Very high14 Ų1450.9 Ų50.910%0.09828%0.284CS..Hα-helixtrans-64.1-37.1174.1109.40000112.2N265 E266 F267 K273 I280N265-S269 VanDerWaalsContact O-CB 3.3Å; N265-S269 WeakPolarHBondContact O-CB 3.39Å; N265-S269 PolarHBondContact O-N 2.85Å; E266-S269 PolarHBondContact O-OG 3.01Å; F267-S269 VanDerWaalsContact C-N 3.28Å; F267-S269 PolarHBondContact O-N 3.45Å; S269-K273 VanDerWaalsContact O-CB 3.28Å; S269-K273 WeakPolarHBondContact O-CB 3.19Å; S269-K273 VanDerWaalsContact O-CD 3.26Å; S269-K273 WeakPolarHBondContact O-CD 3.5Å; S269-K273 WeakPolarHBondContact O-CG 3.35Å; S269-K273 PolarHBondContact O-N 3.29Å; S269-K273 VanDerWaalsContact O-N 3.08Å; S269-K273 PolarHBondContact OG-NZ 2.99Å; S269-I280 WeakPolarHBondContact O-CD1 3.42Å
270T92.6Very high91.1Very high86 Ų8646.4 Ų46.453%0.52826%0.259SS..Hα-helixtrans-72.7-40.7-176.8-58.20000111.4E266 F267 A268E266-T270 WeakPolarHBondContact O-CB 3.41Å; E266-T270 PolarHBondContact O-N 3.13Å; E266-T270 PolarHBondContact O-OG1 2.89Å; F267-T270 WeakPolarHBondContact O-CA 3.24Å; F267-T270 PolarHBondContact O-N 3.27Å; A268-T270 VanDerWaalsContact C-N 3.31Å; A268-T270 PolarHBondContact O-N 2.91Å
271A92.9Very high91.2Very high12 Ų1245.1 Ų45.110%0.09925%0.252CS..Hα-helixtrans-69.8-47.2173.600000112.3V221 T225 F267 K273 S274V221-A271 HydrophobicContact CG1-CB 3.58Å; T225-A271 HydrophobicContact CG2-CB 4.21Å; F267-A271 HydrophobicContact CE1-CB 3.99Å; F267-A271 HydrophobicContact CZ-CB 4.19Å; F267-A271 PolarHBondContact O-N 3.29Å; A271-K273 PolarHBondContact O-N 2.86Å; A271-S274 PolarHBondContact O-N 3.47Å; A271-S274 PolarHBondContact O-OG 3.22Å
272M92.4Very high91Very high0 Ų046.6 Ų46.60%026%0.263CS..Hα-helixtrans-66.1-24-179.6-67.7-72.8164.200112.7V221 L224 T225 L228 W238 A268 S274 V275 V278 I280V221-M272 HydrophobicContact CG1-CE 4.12Å; L224-M272 HydrophobicContact CD2-CE 4.13Å; L224-M272 HydrophobicContact CG-CE 4.29Å; T225-M272 HydrophobicContact CG2-CE 3.77Å; T225-M272 HydrophobicContact CG2-CG 4.42Å; T225-M272 HydrophobicContact CG2-SD 3.76Å; L228-M272 HydrophobicContact CD1-CE 4.01Å; L228-M272 HydrophobicContact CD1-SD 3.9Å; W238-M272 HydrophobicContact CB-CB 4.44Å; W238-M272 HydrophobicContact CB-CG 4.17Å; W238-M272 HydrophobicContact CD2-CE 4.03Å; W238-M272 HydrophobicContact CD2-CG 3.82Å; W238-M272 HydrophobicContact CD2-SD 4.14Å; W238-M272 HydrophobicContact CE3-CE 3.47Å; W238-M272 VanDerWaalsContact CE3-CE 3.47Å; W238-M272 HydrophobicContact CE3-CG 4.17Å; W238-M272 HydrophobicContact CE3-SD 3.87Å; W238-M272 HydrophobicContact CG-CB 4.42Å; W238-M272 HydrophobicContact CG-CG 3.8Å; W238-M272 HydrophobicContact CG-SD 4.42Å; W238-M272 HydrophobicContact CH2-CE 4.07Å; W238-M272 HydrophobicContact CZ3-CE 3.49Å; W238-M272 VanDerWaalsContact CZ3-CE 3.49Å; W238-M272 HydrophobicContact CZ3-SD 4.49Å; A268-M272 VanDerWaalsContact O-CB 3.26Å; A268-M272 WeakPolarHBondContact O-CB 3.26Å; A268-M272 WeakPolarHBondContact O-CG 3.45Å; A268-M272 PolarHBondContact O-N 3.09Å; M272-S274 VanDerWaalsContact C-N 3.26Å; M272-S274 PolarHBondContact O-N 2.76Å; M272-V275 PolarHBondContact O-N 2.85Å; M272-V278 HydrophobicContact CB-CG1 4.2Å; M272-V278 HydrophobicContact SD-CG1 4.21Å; M272-I280 HydrophobicContact CB-CD1 4.25Å; M272-I280 HydrophobicContact CB-CG1 4.16Å
273K87.1Confident90.9Very high141 Ų14143.3 Ų43.361%0.61325%0.246SC*.THydrogen-bonded Turntrans-62.5-23.2173.8-100.3154.1-161.7153.10114.8S269 A271 I280S269-K273 VanDerWaalsContact O-CB 3.28Å; S269-K273 WeakPolarHBondContact O-CB 3.19Å; S269-K273 VanDerWaalsContact O-CD 3.26Å; S269-K273 WeakPolarHBondContact O-CD 3.5Å; S269-K273 WeakPolarHBondContact O-CG 3.35Å; S269-K273 PolarHBondContact O-N 3.29Å; S269-K273 VanDerWaalsContact O-N 3.08Å; S269-K273 PolarHBondContact OG-NZ 2.99Å; A271-K273 PolarHBondContact O-N 2.86Å; K273-I280 HydrophobicContact CB-CD1 4.38Å; K273-I280 HydrophobicContact CD-CD1 4.1Å; K273-I280 HydrophobicContact CG-CD1 3.65Å
274S86.6Confident90.8Very high92 Ų9237.6 Ų37.664%0.64322%0.221SC*.THydrogen-bonded Turntrans-85.3-14.2178.556.90000113.7A271 M272A271-S274 PolarHBondContact O-N 3.47Å; A271-S274 PolarHBondContact O-OG 3.22Å; M272-S274 VanDerWaalsContact C-N 3.26Å; M272-S274 PolarHBondContact O-N 2.76Å
275V88.1Confident90.7Very high9 Ų939.1 Ų39.16%0.05523%0.226CC..SBendtrans-83.4120.6-178.3-174.50000110.8T225 L228 E229 M272 G277 V278T225-V275 VanDerWaalsContact CB-CG2 3.49Å; T225-V275 HydrophobicContact CG2-CG2 3.6Å; L228-V275 HydrophobicContact CB-CG1 4.24Å; E229-V275 HydrophobicContact CB-CG1 4.03Å; M272-V275 PolarHBondContact O-N 2.85Å; V275-G277 PolarHBondContact O-N 3.49Å; V275-G277 VanDerWaalsContact O-N 3.1Å; V275-V278 HydrophobicContact CB-CB 4.33Å; V275-V278 HydrophobicContact CB-CG2 3.83Å; V275-V278 HydrophobicContact CG1-CG2 3.63Å; V275-V278 PolarHBondContact O-N 3.4Å
276S82Confident90.3Very high58 Ų5841.6 Ų41.641%0.40624%0.239SC..THydrogen-bonded Turntrans-67.3109.2177.369.70000111.2K232K232-S276 WeakPolarHBondContact CE-OG 3.29Å; K232-S276 PolarHBondContact NZ-OG 3.28Å
277G80.8Confident90Very high57 Ų5735.1 Ų35.159%0.58821%0.209SC*.THydrogen-bonded Turntrans113.1-4.1176.100000115.5V275V275-G277 PolarHBondContact O-N 3.49Å; V275-G277 VanDerWaalsContact O-N 3.1Å
278V89.5Confident89.8Confident22 Ų2233.2 Ų33.213%0.13320%0.201CC..EExtended strand (participates in β ladder)trans-90.5120.3173.7-179.70000110.4L228 C236 W238 M272 V275L228-V278 HydrophobicContact CB-CG2 4.48Å; L228-V278 HydrophobicContact CD1-CG2 4.48Å; C236-V278 HydrophobicContact CB-CG2 3.99Å; C236-V278 WeakPolarHBondContact O-CA 3.37Å; W238-V278 HydrophobicContact CB-CG1 3.94Å; M272-V278 HydrophobicContact CB-CG1 4.2Å; M272-V278 HydrophobicContact SD-CG1 4.21Å; V275-V278 HydrophobicContact CB-CB 4.33Å; V275-V278 HydrophobicContact CB-CG2 3.83Å; V275-V278 HydrophobicContact CG1-CG2 3.63Å; V275-V278 PolarHBondContact O-N 3.4Å
279E90.4Very high89.3Confident45 Ų4539.1 Ų39.121%0.2123%0.232CC..EExtended strand (participates in β ladder)trans-92.7121.5173.3-68178.612200110.2L60 R235 C236 V237 W238L60-E279 HydrophobicContact CD1-CB 3.84Å; R235-E279 IonicContact CZ-OE1 2.59Å; R235-E279 IonicContact CZ-OE2 2.65Å; R235-E279 IonicContact NE-OE1 2.96Å; R235-E279 IonicContact NE-OE2 2.72Å; R235-E279 PolarHBondContact NE-OE2 3.34Å; R235-E279 VanDerWaalsContact NH2-CD 3.27Å; R235-E279 IonicContact NH2-OE1 3.97Å; R235-E279 PolarHBondContact NH2-OE1 3.4Å; R235-E279 IonicContact NH2-OE2 3.99Å; R235-E279 PolarHBondContact NH2-OE2 3.29Å; C236-E279 PolarHBondContact O-N 2.85Å; V237-E279 CarbonylContact C-O 3.43Å; V237-E279 VanDerWaalsContact CA-O 3.29Å; V237-E279 WeakPolarHBondContact CA-O 3.36Å; V237-E279 HydrophobicContact CG2-CB 4.44Å; W238-E279 PolarHBondContact N-O 2.99Å
280I92.2Very high88.5Confident32 Ų3244.8 Ų44.816%0.16426%0.255CS..EExtended strand (participates in β ladder)trans-83.9127175.2-63.5162.9000109.7W238 L240 S269 M272 K273W238-I280 WeakPolarHBondContact O-CA 3.49Å; L240-I280 HydrophobicContact CD1-CG2 4.37Å; L240-I280 HydrophobicContact CD2-CG2 4.15Å; L240-I280 HydrophobicContact CG-CG2 4.02Å; S269-I280 WeakPolarHBondContact O-CD1 3.42Å; M272-I280 HydrophobicContact CB-CD1 4.25Å; M272-I280 HydrophobicContact CB-CG1 4.16Å; K273-I280 HydrophobicContact CB-CD1 4.38Å; K273-I280 HydrophobicContact CD-CD1 4.1Å; K273-I280 HydrophobicContact CG-CD1 3.65Å
281W93.8Very high87.9Confident0 Ų041.7 Ų41.70%024%0.236CC..EExtended strand (participates in β ladder)trans-104.8121.1173.2-177.318.3000110.3L60 L113 V237 W238 M239 L240 S283 N284 N353 I356 L357L60-W281 HydrophobicContact CD2-CB 4.09Å; L60-W281 HydrophobicContact CD2-CD2 4.43Å; L60-W281 HydrophobicContact CD2-CG 3.83Å; L113-W281 HydrophobicContact CD2-CH2 3.8Å; L113-W281 HydrophobicContact CD2-CZ3 3.68Å; V237-W281 HydrophobicContact CG1-CB 3.88Å; V237-W281 HydrophobicContact CG1-CE3 4.22Å; W238-W281 PolarHBondContact O-N 2.96Å; M239-W281 HydrophobicContact CB-CE3 3.97Å; M239-W281 HydrophobicContact CG-CD2 4.47Å; M239-W281 HydrophobicContact CG-CE3 4.03Å; M239-W281 HydrophobicContact CG-CZ3 4.47Å; M239-W281 HydrophobicContact SD-CE3 4.15Å; M239-W281 HydrophobicContact SD-CZ3 3.98Å; L240-W281 WeakPolarHBondContact CG-O 3.45Å; L240-W281 PolarHBondContact N-O 2.99Å; W281-S283 PolarHBondContact NE1-OG 3.4Å; W281-N284 HydrophobicContact CD2-CB 4.46Å; W281-N284 HydrophobicContact CZ2-CB 4.13Å; W281-N284 PolarHBondContact O-OD1 2.91Å; W281-N353 HydrophobicContact CH2-CB 3.78Å; W281-N353 WeakPolarHBondContact CH2-O 3.39Å; W281-N353 HydrophobicContact CZ2-CB 3.84Å; W281-I356 HydrophobicContact CZ2-CB 3.77Å; W281-I356 HydrophobicContact CZ2-CG1 4.25Å; W281-I356 HydrophobicContact CZ2-CG2 3.91Å; W281-L357 HydrophobicContact CE3-CD2 4.09Å; W281-L357 HydrophobicContact CH2-CD1 4.15Å; W281-L357 HydrophobicContact CH2-CD2 4.16Å; W281-L357 HydrophobicContact CH2-CG 3.74Å; W281-L357 HydrophobicContact CZ3-CD1 3.97Å; W281-L357 HydrophobicContact CZ3-CD2 3.62Å; W281-L357 HydrophobicContact CZ3-CG 3.66Å
282S91.6Very high87.1Confident33 Ų3341.1 Ų41.123%0.23123%0.231CC..  trans-129.3-14.6179.161.20000113.8L60 N284 R285L60-S282 PolarHBondContact O-N 2.87Å; L60-S282 PolarHBondContact O-OG 2.98Å; S282-N284 VanDerWaalsContact C-OD1 3.3Å; S282-N284 VanDerWaalsContact CA-OD1 3.29Å; S282-N284 WeakPolarHBondContact CA-OD1 3.44Å; S282-N284 PolarHBondContact N-OD1 2.87Å; S282-N284 PolarHBondContact O-N 2.95Å; S282-R285 WeakPolarHBondContact O-CB 3.35Å; S282-R285 PolarHBondContact O-N 2.86Å
283S90.7Very high86.4Confident0 Ų043.1 Ų43.10%024%0.24CC..Hα-helixtrans-62.9-21.4175.755.40000113.8L59 L60 W281 R285 L286 I287L59-S283 WeakPolarHBondContact O-CB 3.39Å; L59-S283 PolarHBondContact O-OG 3.03Å; L60-S283 PolarHBondContact O-N 3.22Å; L60-S283 PolarHBondContact O-OG 3.29Å; W281-S283 PolarHBondContact NE1-OG 3.4Å; S283-R285 VanDerWaalsContact C-N 3.26Å; S283-R285 PolarHBondContact O-N 3.23Å; S283-L286 WeakPolarHBondContact O-CB 3.24Å; S283-L286 PolarHBondContact O-N 3.07Å; S283-L286 VanDerWaalsContact O-N 3.13Å; S283-I287 PolarHBondContact O-N 2.67Å
284N92.1Very high85.2Confident0 Ų040.3 Ų40.30%024%0.236CC..Hα-helixtrans-54.7-40.5168.461.8-68000112.2M239 L240 D242 W281 S282 L286 I287 A288 N353M239-N284 HydrophobicContact CE-CB 4.07Å; L240-N284 PolarHBondContact O-ND2 2.9Å; D242-N284 VanDerWaalsContact OD1-C 3.25Å; D242-N284 PolarHBondContact OD1-ND2 2.95Å; W281-N284 HydrophobicContact CD2-CB 4.46Å; W281-N284 HydrophobicContact CZ2-CB 4.13Å; W281-N284 PolarHBondContact O-OD1 2.91Å; S282-N284 VanDerWaalsContact C-OD1 3.3Å; S282-N284 VanDerWaalsContact CA-OD1 3.29Å; S282-N284 WeakPolarHBondContact CA-OD1 3.44Å; S282-N284 PolarHBondContact N-OD1 2.87Å; S282-N284 PolarHBondContact O-N 2.95Å; N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 3.43Å; N284-I287 WeakPolarHBondContact O-CA 3.25Å; N284-I287 WeakPolarHBondContact O-CB 3.35Å; N284-I287 PolarHBondContact O-N 3.27Å; N284-A288 PolarHBondContact O-N 2.89Å; N284-N353 WeakPolarHBondContact CA-OD1 3.46Å
285R91.2Very high83.4Confident39 Ų3940.3 Ų40.315%0.14724%0.241CC..Hα-helixtrans-63.3-35.2178.9-54.5-17271.6-143.5-4111.3L240 Q241 D242 D262 N265 S282 S283 I287 A288 L289L240-R285 HydrophobicContact CB-CG 4.44Å; Q241-R285 WeakPolarHBondContact O-CD 3.33Å; Q241-R285 PolarHBondContact O-NE 3.35Å; D242-R285 PolarHBondContact OD1-N 3.48Å; D262-R285 IonicContact OD1-CZ 3.41Å; D262-R285 IonicContact OD1-NH1 2.78Å; D262-R285 PolarHBondContact OD1-NH1 3.42Å; D262-R285 IonicContact OD1-NH2 3.46Å; D262-R285 PolarHBondContact OD1-NH2 2.89Å; D262-R285 VanDerWaalsContact OD1-NH2 3.12Å; D262-R285 IonicContact OD2-CZ 2.75Å; D262-R285 IonicContact OD2-NH1 3.77Å; D262-R285 IonicContact OD2-NH2 3.86Å; D262-R285 PolarHBondContact OD2-NH2 3.47Å; N265-R285 PolarHBondContact ND2-NE 2.88Å; S282-R285 WeakPolarHBondContact O-CB 3.35Å; S282-R285 PolarHBondContact O-N 2.86Å; S283-R285 VanDerWaalsContact C-N 3.26Å; S283-R285 PolarHBondContact O-N 3.23Å; R285-I287 VanDerWaalsContact C-N 3.35Å; R285-A288 PolarHBondContact O-N 2.94Å; R285-L289 WeakPolarHBondContact O-CB 3.49Å; R285-L289 VanDerWaalsContact O-CG 3.31Å; R285-L289 WeakPolarHBondContact O-CG 3.44Å; R285-L289 PolarHBondContact O-N 3.16Å
286L86.4Confident81.4Confident56 Ų5645.2 Ų45.229%0.29327%0.266SS..Hα-helixtrans-73-24.5176.2-62.8174.2000113.3S65 F71 S283 N284S65-L286 PolarHBondContact OG-O 2.91Å; F71-L286 HydrophobicContact CD2-CB 4.11Å; F71-L286 HydrophobicContact CE2-CB 4.15Å; F71-L286 HydrophobicContact CE2-CD1 3.93Å; S283-L286 WeakPolarHBondContact O-CB 3.24Å; S283-L286 PolarHBondContact O-N 3.07Å; S283-L286 VanDerWaalsContact O-N 3.13Å; N284-L286 VanDerWaalsContact C-N 3.27Å; N284-L286 PolarHBondContact O-N 3.43Å
287I88.5Confident79.2Confident0 Ų048.6 Ų48.60%028%0.28CS..Hα-helixtrans-74.3-50.4169.5-67.9161.9000109.1F71 S283 N284 R285 L289 K290 V291 A349 E352 N353 I356F71-I287 HydrophobicContact CB-CD1 3.83Å; F71-I287 HydrophobicContact CB-CG1 3.36Å; F71-I287 HydrophobicContact CD2-CG1 4.27Å; F71-I287 HydrophobicContact CG-CD1 4.17Å; F71-I287 HydrophobicContact CG-CG1 3.93Å; S283-I287 PolarHBondContact O-N 2.67Å; N284-I287 WeakPolarHBondContact O-CA 3.25Å; N284-I287 WeakPolarHBondContact O-CB 3.35Å; N284-I287 PolarHBondContact O-N 3.27Å; R285-I287 VanDerWaalsContact C-N 3.35Å; I287-L289 PolarHBondContact O-N 3.15Å; I287-K290 PolarHBondContact O-N 3.1Å; I287-V291 HydrophobicContact CG2-CG2 4.16Å; I287-V291 WeakPolarHBondContact O-CG2 3.3Å; I287-V291 PolarHBondContact O-N 3.21Å; I287-A349 HydrophobicContact CG2-CB 3.69Å; I287-E352 HydrophobicContact CD1-CB 4.21Å; I287-E352 HydrophobicContact CG2-CB 3.99Å; I287-N353 WeakPolarHBondContact CD1-OD1 3.05Å; I287-I356 HydrophobicContact CD1-CD1 4.45Å; I287-I356 HydrophobicContact CD1-CG1 3.99Å
288A88.8Confident77.4Confident1 Ų154.3 Ų54.31%0.00828%0.284CS..Iπ-helixtrans-57.9-44.5179.800000112.6D242 P243 N284 R285 K290 G292 V345D242-A288 HydrophobicContact CB-CB 4.12Å; P243-A288 HydrophobicContact CG-CB 3.82Å; N284-A288 PolarHBondContact O-N 2.89Å; R285-A288 PolarHBondContact O-N 2.94Å; A288-K290 PolarHBondContact O-N 3.29Å; A288-K290 VanDerWaalsContact O-N 3.12Å; A288-G292 WeakPolarHBondContact O-CA 3.39Å; A288-G292 PolarHBondContact O-N 3.02Å; A288-V345 HydrophobicContact CB-CG1 3.93Å; A288-V345 HydrophobicContact CB-CG2 4.48Å
289L84Confident74.8Confident125 Ų12559.6 Ų59.665%0.65431%0.311SS*.Iπ-helixtrans-60.6-19.2175.8-74.7177.4000114.8P243 R285 I287P243-L289 HydrophobicContact CB-CD2 4.09Å; P243-L289 HydrophobicContact CG-CD2 3.83Å; P243-L289 HydrophobicContact CG-CG 3.99Å; R285-L289 WeakPolarHBondContact O-CB 3.49Å; R285-L289 VanDerWaalsContact O-CG 3.31Å; R285-L289 WeakPolarHBondContact O-CG 3.44Å; R285-L289 PolarHBondContact O-N 3.16Å; I287-L289 PolarHBondContact O-N 3.15Å
290K77.4Confident72.3Confident132 Ų13260.2 Ų60.257%0.57432%0.32SS*.Iπ-helixtrans-114.1-30.5-173.6-150.575-168.4165.80115.4I287 A288I287-K290 PolarHBondContact O-N 3.1Å; A288-K290 PolarHBondContact O-N 3.29Å; A288-K290 VanDerWaalsContact O-N 3.12Å
291V79.6Confident69.6Low21 Ų2170.3 Ų70.313%0.12736%0.356CS..Iπ-helixtrans-136.2-2.9178.3-93.50000113.6I287 S346 K348 A349I287-V291 HydrophobicContact CG2-CG2 4.16Å; I287-V291 WeakPolarHBondContact O-CG2 3.3Å; I287-V291 PolarHBondContact O-N 3.21Å; V291-S346 PolarHBondContact O-OG 3.28Å; V291-K348 HydrophobicContact CB-CD 4.46Å; V291-K348 HydrophobicContact CG1-CD 4.09Å; V291-A349 HydrophobicContact CG2-CB 4.41Å
292G75.5Confident66.7Low0 Ų077.8 Ų77.80%039%0.391CS..Iπ-helixtrans-68.1-37.6-177.200000114.2A288 S346A288-G292 WeakPolarHBondContact O-CA 3.39Å; A288-G292 PolarHBondContact O-N 3.02Å; G292-S346 VanDerWaalsContact O-CB 3.26Å; G292-S346 WeakPolarHBondContact O-CB 3.44Å; G292-S346 PolarHBondContact O-N 3.08Å
293F79.1Confident63.8Low42 Ų4284.6 Ų84.618%0.18442%0.424CS..SBendtrans-116.2105.3177.4-54.7-69.3000108.4P243 A245 A295 G342P243-F293 WeakPolarHBondContact O-CE2 3.5Å; P243-F293 VanDerWaalsContact O-CZ 3.3Å; P243-F293 WeakPolarHBondContact O-CZ 3.25Å; A245-F293 HydrophobicContact CB-CB 4.13Å; A245-F293 HydrophobicContact CB-CD1 3.75Å; A245-F293 HydrophobicContact CB-CD2 4.03Å; A245-F293 HydrophobicContact CB-CE1 4.22Å; A245-F293 HydrophobicContact CB-CE2 4.46Å; A245-F293 HydrophobicContact CB-CG 3.66Å; F293-A295 PolarHBondContact O-N 3.12Å; F293-G342 WeakPolarHBondContact CE1-O 3.48Å
294P60.1Low61Low82 Ų8292.6 Ų92.653%0.53246%0.461SS..  trans-68.1108.3-175.326.2-32.7000110.1I296P294-I296 PolarHBondContact O-N 2.95Å
295A48.6Very low58Low92 Ų92100 Ų10076%0.7650%0.497SS*.  trans-53.6124.1169.800000109.2F293 N297F293-A295 PolarHBondContact O-N 3.12Å; A295-N297 PolarHBondContact O-N 2.72Å
296I46.6Very low55Low112 Ų112105.6 Ų105.657%0.57453%0.529SS*.  trans-63.7102.9-160.4-43.6172.1000110.4P294 W298P294-I296 PolarHBondContact O-N 2.95Å; I296-W298 HydrophobicContact CG2-CD2 4.12Å; I296-W298 HydrophobicContact CG2-CG 4.25Å; I296-W298 HydrophobicContact CG2-CZ2 3.98Å; I296-W298 VanDerWaalsContact CG2-NE1 3.29Å; I296-W298 VanDerWaalsContact O-CD1 3.27Å; I296-W298 PolarHBondContact O-N 3.38Å
297N36.2Very low52.2Low130 Ų130108.2 Ų108.270%0.69555%0.552SS**  trans-86.679-173.3-169.60.2000110.3A295 N299A295-N297 PolarHBondContact O-N 2.72Å; N297-N299 PolarHBondContact O-N 3.38Å; N297-N299 PolarHBondContact OD1-ND2 3.25Å; N297-N299 VanDerWaalsContact OD1-ND2 3.16Å
298W42.4Very low49.3Very low177 Ų177113.5 Ų113.567%0.6759%0.585SS**  trans-67.966179.2-65.9101.8000113.1I296I296-W298 HydrophobicContact CG2-CD2 4.12Å; I296-W298 HydrophobicContact CG2-CG 4.25Å; I296-W298 HydrophobicContact CG2-CZ2 3.98Å; I296-W298 VanDerWaalsContact CG2-NE1 3.29Å; I296-W298 VanDerWaalsContact O-CD1 3.27Å; I296-W298 PolarHBondContact O-N 3.38Å
299N35.1Very low46.4Very low132 Ų132118.3 Ų118.371%0.70662%0.618SS**  trans-103.65.5168.1-94-52.1000113.2N297 R301N297-N299 PolarHBondContact O-N 3.38Å; N297-N299 PolarHBondContact OD1-ND2 3.25Å; N297-N299 VanDerWaalsContact OD1-ND2 3.16Å; N299-R301 PolarHBondContact O-N 3.07Å
300C38.7Very low43.9Very low58 Ų58119.6 Ų119.639%0.39263%0.626SS.*SBendtrans-78.3112.8158-129.30000108.3Q302 C333C300-Q302 PolarHBondContact O-N 3.43Å; C300-Q302 VanDerWaalsContact O-N 3.11Å; C300-C333 HydrophobicContact CB-CB 4.28Å; C300-C333 WeakPolarHBondContact CB-SG 3.34Å; C300-C333 WeakPolarHBondContact SG-CB 3.41Å; C300-C333 CovalentContact SG-SG 2.04Å; C300-C333 PolarHBondContact SG-SG 3.46Å
301R34.9Very low41.7Very low245 Ų245117.6 Ų117.693%0.92563%0.628SS**  trans-66.4108.8-173.6-160.9-176.1-153.3-1726.5109.4N299 L303N299-R301 PolarHBondContact O-N 3.07Å; R301-L303 PolarHBondContact O-N 2.93Å; R301-L303 VanDerWaalsContact O-N 3.12Å
302Q32.7Very low39.3Very low157 Ų157123.2 Ų123.273%0.73466%0.658SS**  trans-56.5119.2178.7-81-174.8-20.700110.5C300 Q304C300-Q302 PolarHBondContact O-N 3.43Å; C300-Q302 VanDerWaalsContact O-N 3.11Å; Q302-Q304 PolarHBondContact O-N 3.31Å
303L30.5Very low37.1Very low176 Ų176132.6 Ų132.692%0.92170%0.699SS**  trans-74.6101.6163.3-115.6165.2000106.7R301 M305R301-L303 PolarHBondContact O-N 2.93Å; R301-L303 VanDerWaalsContact O-N 3.12Å; L303-M305 PolarHBondContact O-N 3.21Å
304Q33.2Very low34.6Very low168 Ų168138.8 Ų138.879%0.78573%0.73SS**  trans-68.1129.4-174.1-167.71725.700110.3Q302Q302-Q304 PolarHBondContact O-N 3.31Å
305M28Very low33Very low155 Ų155141.5 Ų141.576%0.76475%0.746SS**  trans-10.9128178.2-60.4-176.5-71.700118L303L303-M305 PolarHBondContact O-N 3.21Å
306L27.7Very low32.1Very low156 Ų156142.8 Ų142.882%0.81775%0.749SS**  trans-119.798.9142.3-152.681.2000109.4T308L306-T308 PolarHBondContact O-N 3.5Å
307S28.1Very low31.2Very low111 Ų111141.1 Ų141.178%0.77675%0.752SS**  trans-86.887.917756.10000110.1
308T27.9Very low30.9Very low111 Ų111143.2 Ų143.268%0.68176%0.761SS**  trans-130.3117.8170.848.20000110.9L306L306-T308 PolarHBondContact O-N 3.5Å
309S29Very low30.3Very low102 Ų102139.7 Ų139.771%0.71376%0.763SS**  trans-50.6133.1173.3520000114.6
310N30Very low30.1Very low153 Ų153141.1 Ų141.182%0.81877%0.769SS**  -177.1172.1101.1-93.9-20.5000112.3
311S31.1Very low29.7Very low89 Ų89146.8 Ų146.862%0.62280%0.795SS**  trans-76.5170.7173.254.70000112.9
312D29.1Very low29.4Very low140 Ų140142 Ų14275%0.74979%0.788SS**  trans80.5134.3158.3-49.4-55.6000119.2
313K29.9Very low29.2Very low197 Ų197143.8 Ų143.886%0.85779%0.789SS**  trans7395171.9-54.6172.4-175.5172.20117
314M26.2Very low29.2Very low172 Ų172144.3 Ų144.385%0.84778%0.784SS**  trans-132.769.3155.8-170164.7169.300111.4
315T27.5Very low29Very low139 Ų139145.8 Ų145.885%0.85379%0.791SS**  trans-129.942.2176.537.40000111.8
316S29Very low29.1Very low118 Ų118141.6 Ų141.683%0.82579%0.788SS**  trans-158.558.6177.347.80000113.4
317A28.2Very low29.1Very low77 Ų77143.5 Ų143.564%0.63680%0.795SS**  trans-144.436.4177.700000114
318I29.6Very low29.1Very low174 Ų174142 Ų14289%0.89279%0.789SS**  trans-112.986.5173.3-56.7178.7000109.2
319S29.9Very low29.4Very low103 Ų103146.8 Ų146.872%0.7280%0.801SS**  trans178.3165.7157.841.90000109.2
320I31.8Very low29.6Very low162 Ų162148.3 Ų148.383%0.83180%0.801SS**  trans65.472.2178.4-39.4174.6000114.3
321L29Very low29.9Very low177 Ų177148.2 Ų148.293%0.92780%0.8SS**  trans-161.1100.6130-112.9163.9000110.8
322D30Very low30.3Very low146 Ų146149.2 Ų149.278%0.78180%0.802SS**  trans-127.5161.6165.6-169.42.8000107.3
323Y27.9Very low30.8Very low193 Ų193145.8 Ų145.876%0.75779%0.788SS**  trans71.677.9165.2-138.9-97.8000118.4
324K29Very low31.6Very low188 Ų188143.8 Ų143.882%0.81779%0.786SS**  -178.3129.7114.5-101.7169.1-177.11770114.8
325E30.6Very low32.3Very low198 Ų198143.3 Ų143.393%0.92578%0.782SS**  trans-82.2155.7157.3-61.9-178.1102.700111
326G28.7Very low33.1Very low68 Ų68145.1 Ų145.170%0.70178%0.783SS**  trans126104.8161.900000115.9
327M27.8Very low34.2Very low195 Ų195144.9 Ų144.996%0.96178%0.779SS**SBendtrans69.4152.2172.2-50.2-165.1-173.400116.6
328A29.3Very low35.5Very low80 Ų80147.4 Ų147.466%0.66179%0.787SS**  trans50.576.5176.200000116.4N330A328-N330 VanDerWaalsContact C-N 3.26Å; A328-N330 PolarHBondContact O-N 3.03Å
329K34.5Very low37Very low211 Ų211146.7 Ų146.792%0.91778%0.783SS**  trans-63.493.7151-88.1-165173.8-173.20108.3
330N33.5Very low39.1Very low134 Ų134143 Ų14372%0.71776%0.758SS**  trans-62.5153.6170.8-77.7-43000110.5A328 V332A328-N330 VanDerWaalsContact C-N 3.26Å; A328-N330 PolarHBondContact O-N 3.03Å; N330-V332 VanDerWaalsContact C-N 3.26Å; N330-V332 PolarHBondContact O-N 3.43Å
331N34.7Very low41.6Very low152 Ų152138.2 Ų138.281%0.81373%0.734SS**  trans-73.469.6-172.2-62-22.3000113.1
332V39.6Very low44.3Very low109 Ų109129.8 Ų129.866%0.66169%0.69SS**  trans-82.3117.3159.2-176.20000107.2N330 L334N330-V332 VanDerWaalsContact C-N 3.26Å; N330-V332 PolarHBondContact O-N 3.43Å; V332-L334 HydrophobicContact CG1-CG 4.12Å; V332-L334 PolarHBondContact O-N 2.99Å
333C40.2Very low47.1Very low68 Ų68123.7 Ų123.746%0.45966%0.656SS.*  trans-73.283.6170.1-470000107.8C300 E335C300-C333 HydrophobicContact CB-CB 4.28Å; C300-C333 WeakPolarHBondContact CB-SG 3.34Å; C300-C333 WeakPolarHBondContact SG-CB 3.41Å; C300-C333 CovalentContact SG-SG 2.04Å; C300-C333 PolarHBondContact SG-SG 3.46Å; C333-E335 PolarHBondContact O-N 2.94Å
334L45.9Very low50.1Low155 Ų155116.6 Ų116.681%0.81263%0.63SS**  trans-65.9-20.1-171.2-109.4160.8000113.4V332V332-L334 HydrophobicContact CG1-CG 4.12Å; V332-L334 PolarHBondContact O-N 2.99Å
335E41.5Very low52.9Low163 Ų163107.7 Ų107.776%0.76259%0.591SS**SBendtrans-129.8149.3162.7-64.2177.5100.200109C333C333-E335 PolarHBondContact O-N 2.94Å
336M44.4Very low55.6Low176 Ų17699.2 Ų99.287%0.86755%0.554SS**PPolyproline II helixtrans-73.7127156.5-68.3-168.9-174.900107.3T338M336-T338 PolarHBondContact O-N 3.4Å
337P51.1Low58.4Low114 Ų114100.6 Ų100.674%0.7455%0.545SS*.PPolyproline II helixtrans-58.2136.4169.726.7-33.7000108.5L339P337-L339 PolarHBondContact O-N 3.3Å
338T55.6Low61.1Low130 Ų13096.2 Ų96.280%0.79852%0.521SS*.PPolyproline II helixtrans-50.9124.3-176.741.40000110.4M336 S340M336-T338 PolarHBondContact O-N 3.4Å; T338-S340 PolarHBondContact O-N 3.45Å; T338-S340 VanDerWaalsContact O-N 3.16Å
339L61.1Low64Low158 Ų15892.4 Ų92.483%0.82749%0.489SS*.PPolyproline II helixtrans-62.1122.1-174.5-143.680.8000108.3P337 D341P337-L339 PolarHBondContact O-N 3.3Å; L339-D341 PolarHBondContact O-N 3.38Å
340S75.1Confident66.7Low26 Ų2682.4 Ų82.418%0.18245%0.446CS..PPolyproline II helixtrans-61.9123.3-179178.40000109.6T338 G342T338-S340 PolarHBondContact O-N 3.45Å; T338-S340 VanDerWaalsContact O-N 3.16Å; S340-G342 PolarHBondContact O-N 2.74Å; S340-G342 VanDerWaalsContact O-N 3.13Å; S340-G342 PolarHBondContact OG-N 3.33Å
341D84.3Confident69.5Low62 Ų6281.5 Ų81.533%0.33244%0.435SS..  trans-70.20.8177.564.34.1000113.8L249 L339 Y343 H344L249-D341 WeakPolarHBondContact CA-O 3.38Å; L339-D341 PolarHBondContact O-N 3.38Å; D341-Y343 PolarHBondContact O-N 3.26Å; D341-Y343 VanDerWaalsContact O-N 3.14Å; D341-Y343 PolarHBondContact OD1-N 3.44Å; D341-H344 PolarHBondContact OD1-N 3.1Å; D341-H344 IonicContact OD1-ND1 3.57Å; D341-H344 IonicContact OD2-CE1 3.57Å; D341-H344 IonicContact OD2-CG 3.25Å; D341-H344 IonicContact OD2-ND1 2.74Å; D341-H344 PolarHBondContact OD2-ND1 3.41Å
342G85.2Confident72.2Confident0 Ų076.8 Ų76.80%041%0.408CS..SBendtrans70.6-6.2-175.100000115.5V244 A245 L249 F293 S340V244-G342 CarbonylContact C-O 3.58Å; V244-G342 WeakPolarHBondContact CA-O 3.25Å; V244-G342 WeakPolarHBondContact CB-O 3.46Å; A245-G342 PolarHBondContact N-O 2.97Å; L249-G342 VanDerWaalsContact CD2-C 3.46Å; F293-G342 WeakPolarHBondContact CE1-O 3.48Å; S340-G342 PolarHBondContact O-N 2.74Å; S340-G342 VanDerWaalsContact O-N 3.13Å; S340-G342 PolarHBondContact OG-N 3.33Å
343Y89.9Confident74.8Confident18 Ų1871.6 Ų71.67%0.07138%0.377CS..SBendtrans-108.1-46.8-172.3179.4-97000111.8R109 T201 V244 L253 I256 D341R109-Y343 HydrophobicContact CG-CD1 4.26Å; R109-Y343 HydrophobicContact CG-CE1 3.5Å; R109-Y343 VanDerWaalsContact CG-CE1 3.5Å; R109-Y343 PolarHBondContact NE-O 2.93Å; R109-Y343 PolarHBondContact NH2-O 2.81Å; T201-Y343 HydrophobicContact CG2-CE2 4.36Å; T201-Y343 PolarHBondContact OG1-OH 2.81Å; V244-Y343 HydrophobicContact CG1-CD2 4.31Å; L253-Y343 HydrophobicContact CD1-CD2 4.31Å; L253-Y343 HydrophobicContact CD1-CG 4.09Å; L253-Y343 HydrophobicContact CD2-CD2 4.35Å; L253-Y343 HydrophobicContact CD2-CE2 4.48Å; I256-Y343 HydrophobicContact CD1-CD2 4.22Å; I256-Y343 HydrophobicContact CD1-CE2 3.74Å; D341-Y343 PolarHBondContact O-N 3.26Å; D341-Y343 VanDerWaalsContact O-N 3.14Å; D341-Y343 PolarHBondContact OD1-N 3.44Å
344H90.1Very high77.4Confident44 Ų4468.4 Ų68.420%0.20436%0.355CS..SBendtrans-87.5138.6172.8-63.9103.4000111.1S108 K112 D341S108-H344 WeakPolarHBondContact CB-NE2 3.34Å; S108-H344 PolarHBondContact OG-NE2 3.27Å; K112-H344 HydrophobicContact CD-CB 4.33Å; D341-H344 PolarHBondContact OD1-N 3.1Å; D341-H344 IonicContact OD1-ND1 3.57Å; D341-H344 IonicContact OD2-CE1 3.57Å; D341-H344 IonicContact OD2-CG 3.25Å; D341-H344 IonicContact OD2-ND1 2.74Å; D341-H344 PolarHBondContact OD2-ND1 3.41Å
345V88.6Confident79.7Confident1 Ų162.2 Ų62.21%0.00632%0.322CS..PPolyproline II helixtrans-78.5150.9179.3-160.30000110.1K112 D242 A288 A349 M350K112-V345 PolarHBondContact NZ-O 2.94Å; D242-V345 HydrophobicContact CB-CG2 3.79Å; A288-V345 HydrophobicContact CB-CG1 3.93Å; A288-V345 HydrophobicContact CB-CG2 4.48Å; V345-A349 HydrophobicContact CG1-CB 3.58Å; V345-M350 HydrophobicContact CB-CE 3.75Å; V345-M350 HydrophobicContact CG2-CE 3.86Å
346S87.1Confident82.2Confident20 Ų2054.6 Ų54.614%0.1429%0.287CS..PPolyproline II helixtrans-61.4152.4179.478.70000113.3V291 G292 K348 A349 M350V291-S346 PolarHBondContact O-OG 3.28Å; G292-S346 VanDerWaalsContact O-CB 3.26Å; G292-S346 WeakPolarHBondContact O-CB 3.44Å; G292-S346 PolarHBondContact O-N 3.08Å; S346-K348 PolarHBondContact O-N 3.42Å; S346-A349 WeakPolarHBondContact O-CB 3.17Å; S346-A349 PolarHBondContact O-N 2.88Å; S346-A349 PolarHBondContact OG-N 2.83Å; S346-M350 PolarHBondContact O-N 2.8Å
347D86.2Confident84.6Confident97 Ų9746.2 Ų46.252%0.51925%0.246SC..Hα-helixtrans-69.2-24.4-177.6-47.6-65.4000112.1K112 M350 K351K112-D347 WeakPolarHBondContact CE-OD1 3.46Å; K112-D347 IonicContact NZ-OD1 3.39Å; K112-D347 PolarHBondContact NZ-OD1 3.25Å; K112-D347 IonicContact NZ-OD2 2.71Å; K112-D347 PolarHBondContact NZ-OD2 2.95Å; D347-M350 PolarHBondContact O-N 2.96Å; D347-K351 WeakPolarHBondContact O-CB 3.47Å; D347-K351 PolarHBondContact O-N 3.47Å
348K86.1Confident86.6Confident103 Ų10340.9 Ų40.945%0.44821%0.211SC..Hα-helixtrans-63-47.7168.2-178.3-176.1171.2-172.50111.2S68 V291 S346 M350 K351 E352S68-K348 PolarHBondContact O-NZ 2.81Å; V291-K348 HydrophobicContact CB-CD 4.46Å; V291-K348 HydrophobicContact CG1-CD 4.09Å; S346-K348 PolarHBondContact O-N 3.42Å; K348-M350 VanDerWaalsContact C-N 3.34Å; K348-K351 PolarHBondContact O-N 3.01Å; K348-E352 WeakPolarHBondContact O-CG 3.35Å; K348-E352 PolarHBondContact O-N 2.98Å; K348-E352 VanDerWaalsContact O-N 3.09Å
349A89.3Confident88.5Confident0 Ų034.7 Ų34.70%017%0.173CC..Hα-helixtrans-65.6-38.1177.400000111.6I287 V291 V345 S346 K351 E352 N353I287-A349 HydrophobicContact CG2-CB 3.69Å; V291-A349 HydrophobicContact CG2-CB 4.41Å; V345-A349 HydrophobicContact CG1-CB 3.58Å; S346-A349 WeakPolarHBondContact O-CB 3.17Å; S346-A349 PolarHBondContact O-N 2.88Å; S346-A349 PolarHBondContact OG-N 2.83Å; A349-K351 VanDerWaalsContact C-N 3.35Å; A349-K351 PolarHBondContact O-N 3.15Å; A349-E352 PolarHBondContact O-N 3.4Å; A349-N353 PolarHBondContact O-N 2.82Å
350M92.3Very high90Very high1 Ų127.3 Ų27.31%0.00513%0.134CC..Hα-helixtrans-65-36.5173.1-71.4-66165.100112.4K112 L113 A116 V345 S346 D347 K348 E352 N353 V354K112-M350 HydrophobicContact CD-CG 4.46Å; L113-M350 HydrophobicContact CB-SD 3.67Å; L113-M350 HydrophobicContact CD1-SD 3.86Å; L113-M350 HydrophobicContact CG-SD 4.32Å; A116-M350 HydrophobicContact CB-CB 3.78Å; V345-M350 HydrophobicContact CB-CE 3.75Å; V345-M350 HydrophobicContact CG2-CE 3.86Å; S346-M350 PolarHBondContact O-N 2.8Å; D347-M350 PolarHBondContact O-N 2.96Å; K348-M350 VanDerWaalsContact C-N 3.34Å; M350-E352 PolarHBondContact O-N 2.91Å; M350-N353 WeakPolarHBondContact O-CB 3.21Å; M350-N353 PolarHBondContact O-N 3.4Å; M350-V354 WeakPolarHBondContact O-CG2 3.42Å; M350-V354 PolarHBondContact O-N 2.95Å
351K91.2Very high90.7Very high114 Ų11426.4 Ų26.450%0.49613%0.127SC..Hα-helixtrans-64.8-35.2172.4-171.2164.5-174.8160.90113.2D347 K348 A349 Q355D347-K351 WeakPolarHBondContact O-CB 3.47Å; D347-K351 PolarHBondContact O-N 3.47Å; K348-K351 PolarHBondContact O-N 3.01Å; A349-K351 VanDerWaalsContact C-N 3.35Å; A349-K351 PolarHBondContact O-N 3.15Å; K351-Q355 WeakPolarHBondContact O-CG 3.38Å; K351-Q355 PolarHBondContact O-N 3.01Å
352E91.1Very high91.1Very high53 Ų5323.5 Ų23.525%0.24811%0.111CC..Hα-helixtrans-66.9-43.7170.7-58.5-91.1147.700110.6E70 F71 I287 K348 A349 M350 V354 Q355 I356E70-E352 WeakPolarHBondContact CA-OE2 3.21Å; F71-E352 PolarHBondContact N-OE2 3.13Å; I287-E352 HydrophobicContact CD1-CB 4.21Å; I287-E352 HydrophobicContact CG2-CB 3.99Å; K348-E352 WeakPolarHBondContact O-CG 3.35Å; K348-E352 PolarHBondContact O-N 2.98Å; K348-E352 VanDerWaalsContact O-N 3.09Å; A349-E352 PolarHBondContact O-N 3.4Å; M350-E352 PolarHBondContact O-N 2.91Å; E352-V354 VanDerWaalsContact C-N 3.35Å; E352-V354 PolarHBondContact O-N 3.05Å; E352-Q355 WeakPolarHBondContact O-CB 3.17Å; E352-Q355 PolarHBondContact O-N 3.2Å; E352-I356 PolarHBondContact O-N 2.72Å; E352-I356 VanDerWaalsContact O-N 3.12Å
353N93.8Very high91.4Very high1 Ų123.7 Ų23.71%0.00511%0.112CC..Hα-helixtrans-59.1-40.2175.7-78.5-12.7000112.7L113 W281 N284 I287 A349 M350 Q355 I356 L357L113-N353 HydrophobicContact CD1-CB 3.61Å; W281-N353 HydrophobicContact CH2-CB 3.78Å; W281-N353 WeakPolarHBondContact CH2-O 3.39Å; W281-N353 HydrophobicContact CZ2-CB 3.84Å; N284-N353 WeakPolarHBondContact CA-OD1 3.46Å; I287-N353 WeakPolarHBondContact CD1-OD1 3.05Å; A349-N353 PolarHBondContact O-N 2.82Å; M350-N353 WeakPolarHBondContact O-CB 3.21Å; M350-N353 PolarHBondContact O-N 3.4Å; N353-Q355 VanDerWaalsContact C-N 3.3Å; N353-Q355 PolarHBondContact O-N 2.65Å; N353-I356 WeakPolarHBondContact O-CB 3.06Å; N353-I356 PolarHBondContact O-N 3.01Å; N353-I356 VanDerWaalsContact O-N 3.12Å; N353-L357 PolarHBondContact O-N 3.27Å
354V95Very high91.2Very high1 Ų126.5 Ų26.51%0.00613%0.128CC..Hα-helixtrans-58.5-41.2172.81680000111.4L113 A116 F117 H120 M350 E352 I356 L357 L358L113-V354 HydrophobicContact CD1-CG2 3.91Å; A116-V354 HydrophobicContact CB-CG2 3.98Å; F117-V354 HydrophobicContact CB-CG2 4.03Å; F117-V354 HydrophobicContact CD2-CB 4.41Å; F117-V354 HydrophobicContact CD2-CG1 3.86Å; F117-V354 HydrophobicContact CD2-CG2 4.15Å; F117-V354 HydrophobicContact CE2-CG1 4.42Å; H120-V354 HydrophobicContact CB-CG1 3.84Å; M350-V354 WeakPolarHBondContact O-CG2 3.42Å; M350-V354 PolarHBondContact O-N 2.95Å; E352-V354 VanDerWaalsContact C-N 3.35Å; E352-V354 PolarHBondContact O-N 3.05Å; V354-I356 VanDerWaalsContact C-N 3.31Å; V354-I356 PolarHBondContact O-N 2.87Å; V354-L357 PolarHBondContact O-N 2.99Å; V354-L358 HydrophobicContact CG1-CD1 3.72Å; V354-L358 HydrophobicContact CG1-CG 4.47Å; V354-L358 WeakPolarHBondContact O-CD1 3.29Å; V354-L358 WeakPolarHBondContact O-CG 3.37Å; V354-L358 PolarHBondContact O-N 2.79Å
355Q94.3Very high91Very high25 Ų2528.4 Ų28.412%0.11714%0.138CC..Hα-helixtrans-66.3-31.2176.4-65.6-70.7-46.900112.4Y81 H120 K351 E352 N353 N359Y81-Q355 PolarHBondContact O-NE2 3.41Å; Y81-Q355 VanDerWaalsContact O-NE2 3.1Å; H120-Q355 PolarHBondContact CE1-NE2 3Å; H120-Q355 PolarHBondContact NE2-NE2 3.26Å; K351-Q355 WeakPolarHBondContact O-CG 3.38Å; K351-Q355 PolarHBondContact O-N 3.01Å; E352-Q355 WeakPolarHBondContact O-CB 3.17Å; E352-Q355 PolarHBondContact O-N 3.2Å; N353-Q355 VanDerWaalsContact C-N 3.3Å; N353-Q355 PolarHBondContact O-N 2.65Å; Q355-N359 WeakPolarHBondContact O-CB 3.38Å; Q355-N359 PolarHBondContact O-N 3.43Å; Q355-N359 PolarHBondContact O-ND2 2.8Å
356I94Very high90.9Very high3 Ų329.3 Ų29.32%0.01514%0.142CC..Hα-helixtrans-63.2-49.5172-56.1-58.7000111L59 L60 F71 I78 W281 I287 E352 N353 V354 L358 N359 L360L59-I356 HydrophobicContact CD1-CD1 3.88Å; L59-I356 HydrophobicContact CD1-CG2 4.18Å; L59-I356 HydrophobicContact CD2-CG2 4.47Å; L59-I356 HydrophobicContact CG-CG2 4.01Å; L60-I356 HydrophobicContact CD2-CG2 3.85Å; F71-I356 HydrophobicContact CD1-CD1 3.76Å; F71-I356 HydrophobicContact CE1-CD1 4.13Å; I78-I356 HydrophobicContact CD1-CD1 3.7Å; W281-I356 HydrophobicContact CZ2-CB 3.77Å; W281-I356 HydrophobicContact CZ2-CG1 4.25Å; W281-I356 HydrophobicContact CZ2-CG2 3.91Å; I287-I356 HydrophobicContact CD1-CD1 4.45Å; I287-I356 HydrophobicContact CD1-CG1 3.99Å; E352-I356 PolarHBondContact O-N 2.72Å; E352-I356 VanDerWaalsContact O-N 3.12Å; N353-I356 WeakPolarHBondContact O-CB 3.06Å; N353-I356 PolarHBondContact O-N 3.01Å; N353-I356 VanDerWaalsContact O-N 3.12Å; V354-I356 VanDerWaalsContact C-N 3.31Å; V354-I356 PolarHBondContact O-N 2.87Å; I356-L358 PolarHBondContact O-N 3.3Å; I356-N359 PolarHBondContact O-N 2.92Å; I356-L360 WeakPolarHBondContact O-CB 3.44Å; I356-L360 PolarHBondContact O-N 3.45Å
357L94.5Very high90.8Very high0 Ų032.4 Ų32.40%015%0.153CC..Hα-helixtrans-60.2-43.1177.6-72.6174.6000112.3F104 L113 F117 I196 W281 N353 V354 N359 L360 Y361F104-L357 HydrophobicContact CE1-CD1 4.33Å; F104-L357 HydrophobicContact CZ-CD1 4.37Å; L113-L357 HydrophobicContact CD2-CD1 4.09Å; F117-L357 HydrophobicContact CD2-CD1 4.23Å; F117-L357 HydrophobicContact CE2-CB 4.2Å; F117-L357 HydrophobicContact CE2-CD1 4.39Å; I196-L357 HydrophobicContact CD1-CD1 3.78Å; I196-L357 HydrophobicContact CD1-CD2 3.89Å; I196-L357 HydrophobicContact CD1-CG 4.49Å; I196-L357 HydrophobicContact CG1-CD2 4.38Å; W281-L357 HydrophobicContact CE3-CD2 4.09Å; W281-L357 HydrophobicContact CH2-CD1 4.15Å; W281-L357 HydrophobicContact CH2-CD2 4.16Å; W281-L357 HydrophobicContact CH2-CG 3.74Å; W281-L357 HydrophobicContact CZ3-CD1 3.97Å; W281-L357 HydrophobicContact CZ3-CD2 3.62Å; W281-L357 HydrophobicContact CZ3-CG 3.66Å; N353-L357 PolarHBondContact O-N 3.27Å; V354-L357 PolarHBondContact O-N 2.99Å; L357-N359 VanDerWaalsContact C-N 3.35Å; L357-N359 PolarHBondContact O-N 3.17Å; L357-L360 WeakPolarHBondContact O-CB 3.21Å; L357-L360 PolarHBondContact O-N 3.3Å; L357-L360 VanDerWaalsContact O-N 3.17Å; L357-Y361 HydrophobicContact CB-CE2 4.32Å; L357-Y361 HydrophobicContact CD2-CE2 4.11Å; L357-Y361 VanDerWaalsContact O-CD2 3.29Å; L357-Y361 WeakPolarHBondContact O-CD2 3.37Å; L357-Y361 PolarHBondContact O-N 2.74Å; L357-Y361 VanDerWaalsContact O-N 3.1Å
358L94.7Very high90.8Very high2 Ų230.3 Ų30.31%0.0114%0.139CC..Hα-helixtrans-64.1-40.3176.4-67161.8000111.3Y81 F117 H120 V354 I356 L360 Y361 C362Y81-L358 HydrophobicContact CD2-CB 3.69Å; Y81-L358 HydrophobicContact CE2-CB 4.21Å; Y81-L358 HydrophobicContact CG-CB 3.98Å; Y81-L358 HydrophobicContact CG-CD1 4.44Å; F117-L358 HydrophobicContact CE2-CD2 4.18Å; F117-L358 HydrophobicContact CE2-CG 4.23Å; F117-L358 HydrophobicContact CZ-CD2 4.21Å; H120-L358 WeakPolarHBondContact CD2-CD1 3.31Å; V354-L358 HydrophobicContact CG1-CD1 3.72Å; V354-L358 HydrophobicContact CG1-CG 4.47Å; V354-L358 WeakPolarHBondContact O-CD1 3.29Å; V354-L358 WeakPolarHBondContact O-CG 3.37Å; V354-L358 PolarHBondContact O-N 2.79Å; I356-L358 PolarHBondContact O-N 3.3Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 3.48Å; L358-Y361 PolarHBondContact O-N 3.41Å; L358-C362 WeakPolarHBondContact O-CA 3.29Å; L358-C362 WeakPolarHBondContact O-CB 3.45Å; L358-C362 PolarHBondContact O-N 2.91Å; L358-C362 PolarHBondContact O-SG 2.99Å
359N94Very high90.5Very high0 Ų026.8 Ų26.80%013%0.127CC..Hα-helixtrans-66.9-31.8174.4-83.1-103.4000112.8L59 I78 H79 Q355 I356 L357 N363 C374L59-N359 HydrophobicContact CD1-CB 4.39Å; L59-N359 HydrophobicContact CD2-CB 3.8Å; I78-N359 WeakPolarHBondContact CA-OD1 3.41Å; H79-N359 PolarHBondContact N-OD1 3.45Å; H79-N359 PolarHBondContact O-ND2 3.33Å; Q355-N359 WeakPolarHBondContact O-CB 3.38Å; Q355-N359 PolarHBondContact O-N 3.43Å; Q355-N359 PolarHBondContact O-ND2 2.8Å; I356-N359 PolarHBondContact O-N 2.92Å; L357-N359 VanDerWaalsContact C-N 3.35Å; L357-N359 PolarHBondContact O-N 3.17Å; N359-N363 WeakPolarHBondContact O-CB 3.43Å; N359-N363 PolarHBondContact O-ND2 3.48Å; N359-N363 PolarHBondContact OD1-ND2 3.1Å; N359-N363 PolarHBondContact OD1-OD1 3.21Å; N359-C374 WeakPolarHBondContact O-CB 3.1Å
360L92.4Very high90.4Very high2 Ų228.5 Ų28.51%0.0114%0.136CC..Hα-helixtrans-65.9-40.4177.3-176.765.8000112.7C56 L59 L60 R235 V237 I356 L357 L358C56-L360 HydrophobicContact CB-CD1 4.03Å; L59-L360 HydrophobicContact CD2-CB 4.24Å; L60-L360 HydrophobicContact CD1-CD1 3.74Å; L60-L360 HydrophobicContact CD1-CD2 4.12Å; L60-L360 HydrophobicContact CD2-CD1 4.28Å; L60-L360 HydrophobicContact CD2-CD2 4.21Å; L60-L360 HydrophobicContact CG-CD1 4.11Å; R235-L360 PolarHBondContact NH1-O 2.95Å; V237-L360 HydrophobicContact CG2-CD2 3.71Å; I356-L360 WeakPolarHBondContact O-CB 3.44Å; I356-L360 PolarHBondContact O-N 3.45Å; L357-L360 WeakPolarHBondContact O-CB 3.21Å; L357-L360 PolarHBondContact O-N 3.3Å; L357-L360 VanDerWaalsContact O-N 3.17Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 3.48Å
361Y91.2Very high90.1Very high8 Ų828.5 Ų28.53%0.03114%0.137CC..Hα-helixtrans-99-41-174.5-51.7-37.8000113.5L102 H194 R235 V237 L357 L358L102-Y361 HydrophobicContact CD2-CE2 4.37Å; H194-Y361 AromaticContact CD2-CD1 3.52Å; H194-Y361 AromaticContact CD2-CE1 3.53Å; H194-Y361 AromaticContact CD2-CG 3.84Å; H194-Y361 AromaticContact CD2-CZ 3.84Å; H194-Y361 AromaticContact NE2-CD1 3.88Å; R235-Y361 HydrophobicContact CG-CE1 4.5Å; V237-Y361 HydrophobicContact CG2-CE1 4.3Å; V237-Y361 WeakPolarHBondContact CG2-OH 3.45Å; L357-Y361 HydrophobicContact CB-CE2 4.32Å; L357-Y361 HydrophobicContact CD2-CE2 4.11Å; L357-Y361 VanDerWaalsContact O-CD2 3.29Å; L357-Y361 WeakPolarHBondContact O-CD2 3.37Å; L357-Y361 PolarHBondContact O-N 2.74Å; L357-Y361 VanDerWaalsContact O-N 3.1Å; L358-Y361 PolarHBondContact O-N 3.41Å
362C92.3Very high89.9Confident1 Ų123.8 Ų23.81%0.00712%0.117CC..Hα-helixtrans-87.6-29-168.6-60.80000115.5Y81 C89 L358 N364 Q365 M366Y81-C362 HydrophobicContact CD1-CB 4.45Å; Y81-C362 HydrophobicContact CE1-CB 3.49Å; Y81-C362 VanDerWaalsContact CE1-CB 3.49Å; Y81-C362 HydrophobicContact CE2-CB 4.15Å; Y81-C362 WeakPolarHBondContact OH-CB 3.35Å; C89-C362 HydrophobicContact CB-CB 3.68Å; C89-C362 WeakPolarHBondContact CB-SG 3Å; C89-C362 WeakPolarHBondContact SG-CA 3.41Å; C89-C362 WeakPolarHBondContact SG-CB 3.45Å; C89-C362 CovalentContact SG-SG 2.01Å; C89-C362 PolarHBondContact SG-SG 3.36Å; L358-C362 WeakPolarHBondContact O-CA 3.29Å; L358-C362 WeakPolarHBondContact O-CB 3.45Å; L358-C362 PolarHBondContact O-N 2.91Å; L358-C362 PolarHBondContact O-SG 2.99Å; C362-N364 VanDerWaalsContact C-N 3.28Å; C362-N364 PolarHBondContact O-N 2.68Å; C362-Q365 PolarHBondContact O-N 3.34Å; C362-M366 HydrophobicContact CB-CG 4.28Å; C362-M366 PolarHBondContact O-N 3.03Å
363N90.5Very high89.8Confident3 Ų321.2 Ų21.22%0.01611%0.106CC..Hα-helixtrans-61-34.4-167.5-79.1-0.7000113.6Y81 N359 K367 C373 C374Y81-N363 WeakPolarHBondContact CE2-OD1 3.29Å; Y81-N363 PolarHBondContact OH-N 3.5Å; Y81-N363 PolarHBondContact OH-OD1 3.44Å; N359-N363 WeakPolarHBondContact O-CB 3.43Å; N359-N363 PolarHBondContact O-ND2 3.48Å; N359-N363 PolarHBondContact OD1-ND2 3.1Å; N359-N363 PolarHBondContact OD1-OD1 3.21Å; N363-K367 WeakPolarHBondContact O-CA 3.18Å; N363-K367 PolarHBondContact O-N 2.82Å; N363-C373 WeakPolarHBondContact CB-O 3.4Å; N363-C373 PolarHBondContact ND2-O 2.84Å; N363-C374 HydrophobicContact CB-CB 4.49Å
364N86Confident89.4Confident77 Ų7721.9 Ų21.941%0.41211%0.11SC..Hα-helixtrans-70.4-31.5176.2-154.541.4000113.3C362 K367 C374 G376C362-N364 VanDerWaalsContact C-N 3.28Å; C362-N364 PolarHBondContact O-N 2.68Å; N364-K367 WeakPolarHBondContact O-CG 3.42Å; N364-C374 WeakPolarHBondContact CB-O 3.45Å; N364-C374 PolarHBondContact N-O 2.94Å; N364-G376 PolarHBondContact OD1-N 2.88Å
365Q85.7Confident88.8Confident85 Ų8523.5 Ų23.540%0.39712%0.116SC..Hα-helixtrans-88.3-29.9-177.3-58.3-61.91.600113.4R92 L93 C362R92-Q365 HydrophobicContact CB-CB 4.35Å; R92-Q365 PolarHBondContact NH1-O 3.1Å; L93-Q365 HydrophobicContact CD2-CG 3.71Å; L93-Q365 HydrophobicContact CG-CG 4.23Å; C362-Q365 PolarHBondContact O-N 3.34Å
366M87.3Confident87.8Confident20 Ų2023.8 Ų23.810%0.09913%0.126CC..Hα-helixtrans-96.8-27.4-178-63-62-78.400112.8Y81 K88 C89 C362 F368Y81-M366 HydrophobicContact CE1-CG 4.25Å; K88-M366 HydrophobicContact CB-CE 3.92Å; C89-M366 HydrophobicContact CB-CG 3.87Å; C89-M366 HydrophobicContact CB-SD 4.11Å; C362-M366 HydrophobicContact CB-CG 4.28Å; C362-M366 PolarHBondContact O-N 3.03Å; M366-F368 HydrophobicContact CB-CD2 3.69Å; M366-F368 HydrophobicContact CB-CE2 3.63Å; M366-F368 HydrophobicContact CB-CG 4.39Å; M366-F368 HydrophobicContact CB-CZ 4.27Å; M366-F368 HydrophobicContact CE-CE2 3.84Å; M366-F368 HydrophobicContact CE-CZ 3.58Å; M366-F368 HydrophobicContact CG-CE2 4.12Å; M366-F368 PolarHBondContact O-N 3.34Å; M366-F368 VanDerWaalsContact O-N 3.11Å
367K85.2Confident86.7Confident85 Ų8525.6 Ų25.637%0.3714%0.138SC..  trans50.533.2176.4-63.7-175176.7179.60114.7N363 N364 S369 R375N363-K367 WeakPolarHBondContact O-CA 3.18Å; N363-K367 PolarHBondContact O-N 2.82Å; N364-K367 WeakPolarHBondContact O-CG 3.42Å; K367-S369 PolarHBondContact O-N 3.02Å; K367-R375 PolarHBondContact O-NH1 3.09Å; K367-R375 PolarHBondContact O-NH2 2.03Å
368F86.6Confident85.7Confident53 Ų5327.5 Ų27.523%0.23215%0.148CC..  trans-57135.3173.8-67.5-57.8000111.6H79 Y81 D85 M366 D370 G371 R375H79-F368 HydrophobicContact CB-CB 4.48Å; H79-F368 AromaticContact CD2-CD2 3.37Å; H79-F368 WeakPolarHBondContact CD2-CD2 3.31Å; H79-F368 AromaticContact CD2-CE2 3.76Å; H79-F368 AromaticContact CE1-CD2 3.78Å; H79-F368 AromaticContact CE1-CG 3.85Å; H79-F368 AromaticContact CG-CD2 3.79Å; H79-F368 AromaticContact ND1-CG 3.99Å; H79-F368 AromaticContact NE2-CD2 3.37Å; H79-F368 WeakPolarHBondContact NE2-CD2 3.33Å; H79-F368 AromaticContact NE2-CE2 3.44Å; H79-F368 WeakPolarHBondContact NE2-CE2 3.12Å; H79-F368 AromaticContact NE2-CG 3.93Å; Y81-F368 HydrophobicContact CD1-CE2 4.31Å; Y81-F368 HydrophobicContact CE1-CD2 4.1Å; Y81-F368 AromaticContact CE1-CE2 3.7Å; Y81-F368 HydrophobicContact CE1-CE2 3.7Å; D85-F368 HydrophobicContact CB-CE2 4.28Å; D85-F368 HydrophobicContact CB-CZ 4.08Å; M366-F368 HydrophobicContact CB-CD2 3.69Å; M366-F368 HydrophobicContact CB-CE2 3.63Å; M366-F368 HydrophobicContact CB-CG 4.39Å; M366-F368 HydrophobicContact CB-CZ 4.27Å; M366-F368 HydrophobicContact CE-CE2 3.84Å; M366-F368 HydrophobicContact CE-CZ 3.58Å; M366-F368 HydrophobicContact CG-CE2 4.12Å; M366-F368 PolarHBondContact O-N 3.34Å; M366-F368 VanDerWaalsContact O-N 3.11Å; F368-D370 VanDerWaalsContact C-N 3.28Å; F368-D370 PolarHBondContact O-N 3.21Å; F368-G371 PolarHBondContact O-N 3.27Å; F368-G371 VanDerWaalsContact O-N 3.09Å; F368-G371 VanDerWaalsContact O-O 3.06Å; F368-R375 PolarHBondContact O-NH1 2.86Å
369S80Confident84.9Confident28 Ų2832 Ų3220%0.19618%0.176CC..THydrogen-bonded Turntrans-70.8-18.8-169.8460000114.7K367 A1352 Y1355K367-S369 PolarHBondContact O-N 3.02Å; S369-A1352 WeakPolarHBondContact O-CB 3.45Å; S369-Y1355 WeakPolarHBondContact OG-CD2 3.21Å; S369-Y1355 WeakPolarHBondContact OG-CE2 3.33Å
370D86Confident84.3Confident36 Ų3636.7 Ų36.719%0.19320%0.201CC..THydrogen-bonded Turntrans-89.9-9172.459.8-42.7000113.7M77 H79 F368 Y1355M77-D370 WeakPolarHBondContact CB-O 3.47Å; H79-D370 IonicContact CE1-OD1 3.72Å; H79-D370 IonicContact CE1-OD2 3.38Å; H79-D370 IonicContact CG-OD1 2.7Å; H79-D370 IonicContact CG-OD2 3.37Å; H79-D370 IonicContact ND1-OD1 3.46Å; H79-D370 PolarHBondContact ND1-OD1 3Å; H79-D370 IonicContact ND1-OD2 3.07Å; H79-D370 PolarHBondContact ND1-OD2 3.13Å; F368-D370 VanDerWaalsContact C-N 3.28Å; F368-D370 PolarHBondContact O-N 3.21Å; D370-Y1355 HydrophobicContact CB-CD1 3.81Å; D370-Y1355 HydrophobicContact CB-CG 4.11Å
371G87.4Confident84Confident1 Ų138.2 Ų38.21%0.0121%0.21CC..  trans-100.6121.8172.500000112.3F368 R375F368-G371 PolarHBondContact O-N 3.27Å; F368-G371 VanDerWaalsContact O-N 3.09Å; F368-G371 VanDerWaalsContact O-O 3.06Å; G371-R375 WeakPolarHBondContact O-CD 3.45Å
372T86.8Confident83.6Confident15 Ų1541.3 Ų41.39%0.09223%0.231CC..  trans-129.5-12.3174.765.20000114.5M77 A1352M77-T372 WeakPolarHBondContact CB-OG1 3.35Å; M77-T372 HydrophobicContact CE-CG2 3.74Å; M77-T372 PolarHBondContact N-OG1 3.24Å; M77-T372 PolarHBondContact O-N 2.96Å; T372-A1352 HydrophobicContact CG2-CB 4Å
373C87.8Confident83.2Confident0 Ų042 Ų420%024%0.235CC..THydrogen-bonded Turntrans-62.4139.8164.1-57.80000109.2L59 P73 C76 M77 N363 R375L59-C373 HydrophobicContact CB-CB 4.08Å; L59-C373 HydrophobicContact CD1-CB 4.19Å; L59-C373 HydrophobicContact CD2-CB 4.05Å; L59-C373 HydrophobicContact CG-CB 4.33Å; P73-C373 VanDerWaalsContact CG-SG 3.6Å; C76-C373 HydrophobicContact CB-CB 3.88Å; C76-C373 WeakPolarHBondContact CB-SG 3.34Å; C76-C373 VanDerWaalsContact SG-CA 3.51Å; C76-C373 WeakPolarHBondContact SG-CB 3.2Å; C76-C373 CovalentContact SG-SG 2.04Å; C76-C373 PolarHBondContact SG-SG 2.72Å; M77-C373 VanDerWaalsContact C-SG 3.5Å; M77-C373 PolarHBondContact N-SG 3.17Å; M77-C373 VanDerWaalsContact N-SG 3.45Å; M77-C373 PolarHBondContact O-N 3.3Å; M77-C373 PolarHBondContact O-SG 2.95Å; N363-C373 WeakPolarHBondContact CB-O 3.4Å; N363-C373 PolarHBondContact ND2-O 2.84Å; C373-R375 PolarHBondContact O-N 3Å; C373-R375 VanDerWaalsContact O-N 3.09Å
374C85Confident83.2Confident14 Ų1442.1 Ų42.110%0.09524%0.236CC..THydrogen-bonded Turntrans52.329.5178.5-63.50000116.6C56 N359 N363 N364C56-C374 WeakPolarHBondContact CA-SG 3.42Å; C56-C374 HydrophobicContact CB-CB 4.44Å; C56-C374 WeakPolarHBondContact CB-SG 3.3Å; C56-C374 WeakPolarHBondContact SG-CA 3.29Å; C56-C374 WeakPolarHBondContact SG-CB 3.38Å; C56-C374 CovalentContact SG-SG 2.03Å; C56-C374 PolarHBondContact SG-SG 2.86Å; N359-C374 WeakPolarHBondContact O-CB 3.1Å; N363-C374 HydrophobicContact CB-CB 4.49Å; N364-C374 WeakPolarHBondContact CB-O 3.45Å; N364-C374 PolarHBondContact N-O 2.94Å
375R83.1Confident83.3Confident35 Ų3543.7 Ų43.713%0.13224%0.241CC..  trans-110.4125.1174.4179.3-175.5177.7136.35.8109.2K367 F368 G371 C373 E378K367-R375 PolarHBondContact O-NH1 3.09Å; K367-R375 PolarHBondContact O-NH2 2.03Å; F368-R375 PolarHBondContact O-NH1 2.86Å; G371-R375 WeakPolarHBondContact O-CD 3.45Å; C373-R375 PolarHBondContact O-N 3Å; C373-R375 VanDerWaalsContact O-N 3.09Å; R375-E378 IonicContact CZ-OE1 3.58Å; R375-E378 IonicContact NH2-OE1 3.52Å; R375-E378 PolarHBondContact NH2-OE1 3.03Å
376G73.6Confident83.5Confident31 Ų3143 Ų4332%0.3224%0.236SC..PPolyproline II helixtrans-66.4155.4170.800000112.2N364N364-G376 PolarHBondContact OD1-N 2.88Å
377S70.4Confident83.6Confident41 Ų4142.1 Ų42.129%0.28723%0.232SC..PPolyproline II helixtrans-55.4143.1177.2-630000112
378E74.5Confident83.9Confident41 Ų4139.6 Ų39.619%0.19222%0.221CC..PPolyproline II helixtrans-70.6126.8169.1-64.6-179152.900108.7R375 R488R375-E378 IonicContact CZ-OE1 3.58Å; R375-E378 IonicContact NH2-OE1 3.52Å; R375-E378 PolarHBondContact NH2-OE1 3.03Å; E378-R488 IonicContact OE1-NH1 3.84Å; E378-R488 WeakPolarHBondContact OE2-CD 3.4Å; E378-R488 IonicContact OE2-CZ 2.86Å; E378-R488 IonicContact OE2-NE 3.73Å; E378-R488 PolarHBondContact OE2-NE 2.82Å; E378-R488 IonicContact OE2-NH1 2.87Å; E378-R488 PolarHBondContact OE2-NH1 2.75Å
379P76.5Confident84.2Confident95 Ų9541 Ų4162%0.61723%0.23SC*.PPolyproline II helixtrans-66.1139.8-178.427.2-34.1000110.8T381P379-T381 PolarHBondContact O-N 3.3Å
380I82.3Confident84.8Confident100 Ų10042.5 Ų42.551%0.51323%0.233SC..PPolyproline II helixtrans-65.8127.4179-54.7-178.3000108.9Q384 E385 F484I380-Q384 HydrophobicContact CG2-CB 3.81Å; I380-E385 HydrophobicContact CG2-CB 4.39Å; I380-F484 HydrophobicContact CD1-CZ 4.48Å; I380-F484 HydrophobicContact CG1-CZ 4.14Å
381T85Confident85.2Confident34 Ų3441.9 Ų41.921%0.20923%0.228CC..PPolyproline II helixtrans-82.2154.9178.575.50000111.9P379 V383 Q384 E385 N669P379-T381 PolarHBondContact O-N 3.3Å; T381-V383 PolarHBondContact O-N 3.09Å; T381-Q384 WeakPolarHBondContact O-CB 3.46Å; T381-Q384 PolarHBondContact O-N 3.22Å; T381-Q384 PolarHBondContact OG1-OE1 2.85Å; T381-E385 PolarHBondContact O-N 3.49Å; T381-N669 WeakPolarHBondContact CG2-ND2 3.16Å
382P84.2Confident85.5Confident72 Ų7244.5 Ų44.547%0.46825%0.25SS..Hα-helixtrans-57.8-22.3178-27.635.8000114.6K386P382-K386 WeakPolarHBondContact O-CB 3.49Å; P382-K386 WeakPolarHBondContact O-CD 3.37Å; P382-K386 WeakPolarHBondContact O-CG 3.45Å; P382-K386 PolarHBondContact O-N 2.94Å
383V84Confident85.9Confident15 Ų1548.7 Ų48.79%0.09127%0.271CS..Hα-helixtrans-75.8-41.6174.9-179.50000110.9T381 C387 L666 I1416 T1420T381-V383 PolarHBondContact O-N 3.09Å; V383-C387 WeakPolarHBondContact O-CB 3.22Å; V383-C387 PolarHBondContact O-N 3.09Å; V383-L666 HydrophobicContact CG1-CD2 3.92Å; V383-I1416 HydrophobicContact CG1-CG2 4.14Å; V383-T1420 HydrophobicContact CG2-CG2 3.64Å
384Q89.1Confident86.2Confident6 Ų649.2 Ų49.23%0.02827%0.274CS..Hα-helixtrans-65.8-46.3176-68.2171.4-53.100110.7I380 T381 K386 C387 F388 L666 V667 N669I380-Q384 HydrophobicContact CG2-CB 3.81Å; T381-Q384 WeakPolarHBondContact O-CB 3.46Å; T381-Q384 PolarHBondContact O-N 3.22Å; T381-Q384 PolarHBondContact OG1-OE1 2.85Å; Q384-K386 PolarHBondContact O-N 3.23Å; Q384-C387 WeakPolarHBondContact O-CB 3.17Å; Q384-C387 PolarHBondContact O-N 3.35Å; Q384-C387 VanDerWaalsContact O-N 3.11Å; Q384-F388 HydrophobicContact CB-CE2 4.16Å; Q384-F388 WeakPolarHBondContact O-CD2 3.32Å; Q384-F388 WeakPolarHBondContact O-CG 3.41Å; Q384-F388 PolarHBondContact O-N 3.17Å; Q384-L666 WeakPolarHBondContact CG-O 3.32Å; Q384-V667 PolarHBondContact NE2-O 2.96Å; Q384-N669 HydrophobicContact CG-CB 4.22Å
385E88.9Confident86.7Confident110 Ų11052.5 Ų52.551%0.51429%0.291SS..Hα-helixtrans-53.5-54.2175.3-172.3-167.5175.400111.5I380 T381 C387 F388 I389I380-E385 HydrophobicContact CG2-CB 4.39Å; T381-E385 PolarHBondContact O-N 3.49Å; E385-C387 VanDerWaalsContact C-N 3.27Å; E385-C387 PolarHBondContact O-N 3.28Å; E385-F388 PolarHBondContact O-N 3.38Å; E385-F388 VanDerWaalsContact O-N 3.15Å; E385-I389 HydrophobicContact CG-CD1 4.05Å; E385-I389 WeakPolarHBondContact O-CG1 3.49Å; E385-I389 PolarHBondContact O-N 3.5Å
386K89.3Confident87.3Confident71 Ų7155.6 Ų55.631%0.30931%0.309SS..Hα-helixtrans-58.8-36.5175.7-74.6172179.3-177.10113.2P382 Q384 I389 F390 I1416 S1419P382-K386 WeakPolarHBondContact O-CB 3.49Å; P382-K386 WeakPolarHBondContact O-CD 3.37Å; P382-K386 WeakPolarHBondContact O-CG 3.45Å; P382-K386 PolarHBondContact O-N 2.94Å; Q384-K386 PolarHBondContact O-N 3.23Å; K386-I389 PolarHBondContact O-N 2.62Å; K386-F390 WeakPolarHBondContact O-CB 3.27Å; K386-F390 PolarHBondContact O-N 3.18Å; K386-I1416 HydrophobicContact CB-CG2 4.36Å; K386-I1416 WeakPolarHBondContact CD-O 3.37Å; K386-S1419 PolarHBondContact NZ-OG 2.89Å
387C90.8Very high88.2Confident1 Ų155.4 Ų55.41%0.00730%0.303CS..Hα-helixtrans-66.3-42.3176.9-160.80000111.4V383 Q384 E385 F390 Y391 V667 I1416V383-C387 WeakPolarHBondContact O-CB 3.22Å; V383-C387 PolarHBondContact O-N 3.09Å; Q384-C387 WeakPolarHBondContact O-CB 3.17Å; Q384-C387 PolarHBondContact O-N 3.35Å; Q384-C387 VanDerWaalsContact O-N 3.11Å; E385-C387 VanDerWaalsContact C-N 3.27Å; E385-C387 PolarHBondContact O-N 3.28Å; C387-F390 PolarHBondContact O-N 3.25Å; C387-Y391 WeakPolarHBondContact O-CD2 3.21Å; C387-Y391 PolarHBondContact O-N 2.87Å; C387-Y391 VanDerWaalsContact O-N 3.07Å; C387-Y391 VanDerWaalsContact SG-CE2 3.52Å; C387-V667 HydrophobicContact CB-CG2 4.5Å; C387-I1416 HydrophobicContact CB-CG2 4.36Å
388F91.8Very high89.3Confident33 Ų3354.1 Ų54.115%0.14529%0.293CS..Hα-helixtrans-68.1-38.3174.1-63.4-50.9000112.6Q384 E385 F390 Y391 A392 M481 F484 V667Q384-F388 HydrophobicContact CB-CE2 4.16Å; Q384-F388 WeakPolarHBondContact O-CD2 3.32Å; Q384-F388 WeakPolarHBondContact O-CG 3.41Å; Q384-F388 PolarHBondContact O-N 3.17Å; E385-F388 PolarHBondContact O-N 3.38Å; E385-F388 VanDerWaalsContact O-N 3.15Å; F388-F390 VanDerWaalsContact C-N 3.35Å; F388-F390 PolarHBondContact O-N 2.7Å; F388-Y391 PolarHBondContact O-N 3.16Å; F388-A392 WeakPolarHBondContact O-CB 3.34Å; F388-A392 PolarHBondContact O-N 3.44Å; F388-M481 HydrophobicContact CD1-SD 3.65Å; F388-M481 HydrophobicContact CE1-CB 4.36Å; F388-M481 HydrophobicContact CE1-SD 3.45Å; F388-M481 WeakPolarHBondContact CE1-SD 3.11Å; F388-M481 HydrophobicContact CE2-SD 4.48Å; F388-M481 HydrophobicContact CG-SD 4.27Å; F388-M481 HydrophobicContact CZ-SD 3.91Å; F388-F484 HydrophobicContact CE1-CB 4.42Å; F388-F484 HydrophobicContact CE2-CD1 4.21Å; F388-F484 HydrophobicContact CE2-CD2 4.3Å; F388-F484 HydrophobicContact CE2-CE1 4.36Å; F388-F484 HydrophobicContact CE2-CE2 4.45Å; F388-F484 HydrophobicContact CE2-CG 4.2Å; F388-F484 HydrophobicContact CE2-CZ 4.49Å; F388-F484 HydrophobicContact CZ-CB 3.82Å; F388-F484 AromaticContact CZ-CD1 3.89Å; F388-F484 HydrophobicContact CZ-CD1 3.89Å; F388-F484 AromaticContact CZ-CD2 3.91Å; F388-F484 HydrophobicContact CZ-CD2 3.91Å; F388-F484 HydrophobicContact CZ-CE1 4.48Å; F388-F484 HydrophobicContact CZ-CE2 4.49Å; F388-F484 AromaticContact CZ-CG 3.59Å; F388-F484 HydrophobicContact CZ-CG 3.59Å; F388-V667 HydrophobicContact CE1-CG1 3.93Å; F388-V667 HydrophobicContact CZ-CG1 3.86Å
389I92.8Very high90.2Very high83 Ų8356.4 Ų56.443%0.42631%0.307SS..Hα-helixtrans-59.2-45.1172.2-68.8166.1000110.7E385 K386 Y391 A392 I393E385-I389 HydrophobicContact CG-CD1 4.05Å; E385-I389 WeakPolarHBondContact O-CG1 3.49Å; E385-I389 PolarHBondContact O-N 3.5Å; K386-I389 PolarHBondContact O-N 2.62Å; I389-Y391 PolarHBondContact O-N 3.34Å; I389-A392 PolarHBondContact O-N 2.98Å; I389-I393 HydrophobicContact CG2-CD1 3.89Å; I389-I393 VanDerWaalsContact O-CG1 3.32Å; I389-I393 WeakPolarHBondContact O-CG1 3.47Å; I389-I393 PolarHBondContact O-N 3.43Å
390F92.7Very high91Very high58 Ų5856.7 Ų56.725%0.25430%0.302SS..Hα-helixtrans-59-45.3175.3170.7-98.9000112.5K386 C387 F388 I393 C394 L473 V1412 I1416K386-F390 WeakPolarHBondContact O-CB 3.27Å; K386-F390 PolarHBondContact O-N 3.18Å; C387-F390 PolarHBondContact O-N 3.25Å; F388-F390 VanDerWaalsContact C-N 3.35Å; F388-F390 PolarHBondContact O-N 2.7Å; F390-I393 PolarHBondContact O-N 2.97Å; F390-C394 PolarHBondContact O-N 2.8Å; F390-C394 PolarHBondContact O-SG 3.09Å; F390-L473 HydrophobicContact CZ-CD1 4.28Å; F390-V1412 HydrophobicContact CD2-CG1 4.15Å; F390-V1412 HydrophobicContact CE2-CG1 3.78Å; F390-V1412 HydrophobicContact CZ-CG1 4.29Å; F390-I1416 HydrophobicContact CB-CD1 4.38Å; F390-I1416 HydrophobicContact CG-CD1 4.32Å
391Y93.6Very high91.4Very high23 Ų2352.5 Ų52.59%0.0928%0.282CS..Hα-helixtrans-68.4-34.2176.5-68.3-50.4000113.1C387 F388 I389 C394 L395 F476 G477 M480 V667C387-Y391 WeakPolarHBondContact O-CD2 3.21Å; C387-Y391 PolarHBondContact O-N 2.87Å; C387-Y391 VanDerWaalsContact O-N 3.07Å; C387-Y391 VanDerWaalsContact SG-CE2 3.52Å; F388-Y391 PolarHBondContact O-N 3.16Å; I389-Y391 PolarHBondContact O-N 3.34Å; Y391-C394 WeakPolarHBondContact O-CB 3.41Å; Y391-C394 PolarHBondContact O-N 3.12Å; Y391-L395 WeakPolarHBondContact O-CB 3.2Å; Y391-L395 PolarHBondContact O-N 3.33Å; Y391-F476 HydrophobicContact CE1-CD1 4.16Å; Y391-G477 VanDerWaalsContact CG-CA 3.41Å; Y391-M480 HydrophobicContact CE2-CB 4.34Å; Y391-V667 HydrophobicContact CE2-CG2 4.04Å
392A94Very high91.6Very high57 Ų5754.8 Ų54.847%0.47129%0.289SS..Hα-helixtrans-64.9-41.5173.600000111.6F388 I389 L395 L396F388-A392 WeakPolarHBondContact O-CB 3.34Å; F388-A392 PolarHBondContact O-N 3.44Å; I389-A392 PolarHBondContact O-N 2.98Å; A392-L395 PolarHBondContact O-N 3.12Å; A392-L396 WeakPolarHBondContact O-CB 3.14Å; A392-L396 PolarHBondContact O-N 3.37Å
393I94.8Very high91.8Very high103 Ų10356 Ų5653%0.52829%0.291SS..Hα-helixtrans-61.9-43.5172.5-68.2164.4000110.7I389 F390 L395 L396 S397I389-I393 HydrophobicContact CG2-CD1 3.89Å; I389-I393 VanDerWaalsContact O-CG1 3.32Å; I389-I393 WeakPolarHBondContact O-CG1 3.47Å; I389-I393 PolarHBondContact O-N 3.43Å; F390-I393 PolarHBondContact O-N 2.97Å; I393-L395 VanDerWaalsContact C-N 3.32Å; I393-L395 PolarHBondContact O-N 3.26Å; I393-L396 PolarHBondContact O-N 3.37Å; I393-S397 WeakPolarHBondContact O-CB 3.36Å; I393-S397 PolarHBondContact O-N 2.72Å
394C94.4Very high92Very high10 Ų1061.6 Ų61.67%0.06831%0.311CS..Hα-helixtrans-61.4-39.8175.3-66.80000112.3F390 Y391 T398 L473F390-C394 PolarHBondContact O-N 2.8Å; F390-C394 PolarHBondContact O-SG 3.09Å; Y391-C394 WeakPolarHBondContact O-CB 3.41Å; Y391-C394 PolarHBondContact O-N 3.12Å; C394-T398 WeakPolarHBondContact O-CB 3.41Å; C394-T398 PolarHBondContact O-N 3.33Å; C394-T398 PolarHBondContact O-OG1 3.49Å; C394-L473 HydrophobicContact CB-CB 4.1Å
395L94.3Very high91.7Very high84 Ų8462.8 Ų62.844%0.4432%0.32SS..Hα-helixtrans-69.6-46.2178-176.4145.6000111.7Y391 A392 I393 S397 T398 L399Y391-L395 WeakPolarHBondContact O-CB 3.2Å; Y391-L395 PolarHBondContact O-N 3.33Å; A392-L395 PolarHBondContact O-N 3.12Å; I393-L395 VanDerWaalsContact C-N 3.32Å; I393-L395 PolarHBondContact O-N 3.26Å; L395-S397 VanDerWaalsContact C-N 3.34Å; L395-S397 PolarHBondContact O-N 2.68Å; L395-T398 WeakPolarHBondContact O-CB 3.41Å; L395-T398 PolarHBondContact O-N 3.06Å; L395-L399 HydrophobicContact CD2-CD1 3.71Å; L395-L399 HydrophobicContact CD2-CG 4.39Å; L395-L399 WeakPolarHBondContact O-CG 3.4Å; L395-L399 PolarHBondContact O-N 2.96Å
396L95.7Very high91.3Very high100 Ų10061.4 Ų61.452%0.52431%0.314SS..Hα-helixtrans-60-44174.4178.662.3000111.2A392 I393 T398 L399 L400A392-L396 WeakPolarHBondContact O-CB 3.14Å; A392-L396 PolarHBondContact O-N 3.37Å; I393-L396 PolarHBondContact O-N 3.37Å; L396-T398 PolarHBondContact O-N 3.08Å; L396-L399 PolarHBondContact O-N 3.35Å; L396-L400 HydrophobicContact CD1-CD1 4.37Å; L396-L400 HydrophobicContact CD1-CG 4.34Å; L396-L400 HydrophobicContact CG-CD1 4.08Å; L396-L400 HydrophobicContact CG-CG 4.49Å; L396-L400 WeakPolarHBondContact O-CG 3.38Å; L396-L400 PolarHBondContact O-N 3.16Å
397S93.9Very high90.8Very high26 Ų2665.2 Ų65.218%0.18233%0.331CS..Hα-helixtrans-61.3-42.4175.1-172.30000112I393 L395 L399 L400 C401 F466I393-S397 WeakPolarHBondContact O-CB 3.36Å; I393-S397 PolarHBondContact O-N 2.72Å; L395-S397 VanDerWaalsContact C-N 3.34Å; L395-S397 PolarHBondContact O-N 2.68Å; S397-L399 VanDerWaalsContact C-N 3.32Å; S397-L399 PolarHBondContact O-N 2.96Å; S397-L400 PolarHBondContact O-N 3.43Å; S397-C401 WeakPolarHBondContact O-CB 3.35Å; S397-C401 PolarHBondContact O-N 2.65Å; S397-C401 PolarHBondContact O-SG 3.32Å; S397-C401 VanDerWaalsContact O-SG 3.37Å; S397-F466 VanDerWaalsContact OG-CE1 3.27Å; S397-F466 WeakPolarHBondContact OG-CE1 3.49Å; S397-F466 VanDerWaalsContact OG-CZ 3.31Å; S397-F466 WeakPolarHBondContact OG-CZ 3.39Å
398T93.3Very high89.9Confident14 Ų1468.4 Ų68.49%0.08635%0.347CS..Hα-helixtrans-59-42.7173.5-53.50000111.6C394 L395 L396 F402 Y467 T470 S471 S474C394-T398 WeakPolarHBondContact O-CB 3.41Å; C394-T398 PolarHBondContact O-N 3.33Å; C394-T398 PolarHBondContact O-OG1 3.49Å; L395-T398 WeakPolarHBondContact O-CB 3.41Å; L395-T398 PolarHBondContact O-N 3.06Å; L396-T398 PolarHBondContact O-N 3.08Å; T398-F402 WeakPolarHBondContact O-CB 3.33Å; T398-F402 PolarHBondContact O-N 3.41Å; T398-Y467 HydrophobicContact CG2-CE2 3.92Å; T398-T470 PolarHBondContact OG1-O 2.86Å; T398-T470 VanDerWaalsContact OG1-O 3.05Å; T398-S471 PolarHBondContact OG1-N 3.28Å; T398-S474 PolarHBondContact OG1-OG 2.79Å
399L93.4Very high88.6Confident90 Ų9069.8 Ų69.847%0.47136%0.361SS..Hα-helixtrans-67.4-43.2177.8-70.4173.1000112.1L395 L396 S397 F402 L403L395-L399 HydrophobicContact CD2-CD1 3.71Å; L395-L399 HydrophobicContact CD2-CG 4.39Å; L395-L399 WeakPolarHBondContact O-CG 3.4Å; L395-L399 PolarHBondContact O-N 2.96Å; L396-L399 PolarHBondContact O-N 3.35Å; S397-L399 VanDerWaalsContact C-N 3.32Å; S397-L399 PolarHBondContact O-N 2.96Å; L399-F402 WeakPolarHBondContact O-CB 3.32Å; L399-F402 PolarHBondContact O-N 3.34Å; L399-L403 WeakPolarHBondContact O-CB 3.49Å; L399-L403 WeakPolarHBondContact O-CG 3.41Å; L399-L403 PolarHBondContact O-N 3.3Å
400L93.3Very high87Confident101 Ų10175 Ų7553%0.52938%0.375SS..Hα-helixtrans-62.6-44.6176.8-71.6170.6000111.5L396 S397 F402 L403 Y404L396-L400 HydrophobicContact CD1-CD1 4.37Å; L396-L400 HydrophobicContact CD1-CG 4.34Å; L396-L400 HydrophobicContact CG-CD1 4.08Å; L396-L400 HydrophobicContact CG-CG 4.49Å; L396-L400 WeakPolarHBondContact O-CG 3.38Å; L396-L400 PolarHBondContact O-N 3.16Å; S397-L400 PolarHBondContact O-N 3.43Å; L400-F402 VanDerWaalsContact C-N 3.34Å; L400-F402 PolarHBondContact O-N 3.3Å; L400-L403 PolarHBondContact O-N 3.46Å; L400-Y404 VanDerWaalsContact O-CB 3.28Å; L400-Y404 WeakPolarHBondContact O-CB 3.47Å; L400-Y404 PolarHBondContact O-N 2.74Å
401C90.5Very high85.3Confident12 Ų1275.3 Ų75.38%0.08139%0.394CS..Hα-helixtrans-61.4-41173.1-70.60000112.2S397 Y404 S405 F463 Y467S397-C401 WeakPolarHBondContact O-CB 3.35Å; S397-C401 PolarHBondContact O-N 2.65Å; S397-C401 PolarHBondContact O-SG 3.32Å; S397-C401 VanDerWaalsContact O-SG 3.37Å; C401-Y404 PolarHBondContact O-N 2.78Å; C401-S405 WeakPolarHBondContact O-CB 3.45Å; C401-S405 PolarHBondContact O-N 2.83Å; C401-F463 HydrophobicContact CB-CE2 3.99Å; C401-F463 HydrophobicContact CB-CZ 3.98Å; C401-Y467 HydrophobicContact CB-CD2 3.51Å; C401-Y467 HydrophobicContact CB-CE2 4.21Å; C401-Y467 HydrophobicContact CB-CG 4.3Å
402F88.4Confident82.9Confident81 Ų8181.8 Ų81.836%0.35542%0.423SS..Hα-helixtrans-62.5-48.2175.7177.2-99.1000111.7T398 L399 L400 Y404 S405 Q406 Y467T398-F402 WeakPolarHBondContact O-CB 3.33Å; T398-F402 PolarHBondContact O-N 3.41Å; L399-F402 WeakPolarHBondContact O-CB 3.32Å; L399-F402 PolarHBondContact O-N 3.34Å; L400-F402 VanDerWaalsContact C-N 3.34Å; L400-F402 PolarHBondContact O-N 3.3Å; F402-Y404 PolarHBondContact O-N 3.21Å; F402-S405 PolarHBondContact O-N 2.89Å; F402-S405 PolarHBondContact O-OG 2.84Å; F402-Q406 PolarHBondContact O-N 2.91Å; F402-Y467 HydrophobicContact CB-CE2 4.45Å
403L89.5Confident80.2Confident97 Ų9784.2 Ų84.251%0.50843%0.434SS..Hα-helixtrans-62-42.3177.1-70.9171.1000112.1L399 L400 S405 Q406 F407L399-L403 WeakPolarHBondContact O-CB 3.49Å; L399-L403 WeakPolarHBondContact O-CG 3.41Å; L399-L403 PolarHBondContact O-N 3.3Å; L400-L403 PolarHBondContact O-N 3.46Å; L403-S405 PolarHBondContact O-N 2.83Å; L403-Q406 PolarHBondContact O-N 2.7Å; L403-F407 WeakPolarHBondContact O-CB 3.37Å; L403-F407 PolarHBondContact O-N 3.42Å
404Y86.5Confident77.3Confident133 Ų13385 Ų8552%0.52245%0.448SS..Hα-helixtrans-59.8-43.9174.7-178.2-104.2000111.8L400 C401 F402 Q406 F407 I408 F463L400-Y404 VanDerWaalsContact O-CB 3.28Å; L400-Y404 WeakPolarHBondContact O-CB 3.47Å; L400-Y404 PolarHBondContact O-N 2.74Å; C401-Y404 PolarHBondContact O-N 2.78Å; F402-Y404 PolarHBondContact O-N 3.21Å; Y404-Q406 VanDerWaalsContact C-N 3.31Å; Y404-Q406 PolarHBondContact O-N 3.35Å; Y404-F407 PolarHBondContact O-N 2.99Å; Y404-I408 HydrophobicContact CD1-CD1 3.93Å; Y404-I408 HydrophobicContact CE1-CD1 3.41Å; Y404-I408 VanDerWaalsContact CE1-CD1 3.41Å; Y404-I408 HydrophobicContact CE2-CD1 4.14Å; Y404-I408 PolarHBondContact O-N 3.36Å; Y404-F463 HydrophobicContact CD1-CD2 4.25Å; Y404-F463 AromaticContact CD1-CE2 3.54Å; Y404-F463 HydrophobicContact CD1-CE2 3.54Å; Y404-F463 AromaticContact CD1-CZ 3.82Å; Y404-F463 HydrophobicContact CD1-CZ 3.82Å; Y404-F463 HydrophobicContact CE1-CD2 4.3Å; Y404-F463 HydrophobicContact CE1-CE2 4.05Å
405S82.9Confident74.4Confident31 Ų3190.4 Ų90.422%0.21748%0.48CS..Hα-helixtrans-62.6-36.8175.3820000112.5C401 F402 L403 S409C401-S405 WeakPolarHBondContact O-CB 3.45Å; C401-S405 PolarHBondContact O-N 2.83Å; F402-S405 PolarHBondContact O-N 2.89Å; F402-S405 PolarHBondContact O-OG 2.84Å; L403-S405 PolarHBondContact O-N 2.83Å; S405-S409 WeakPolarHBondContact O-CB 3.39Å; S405-S409 PolarHBondContact O-N 3.01Å; S405-S409 VanDerWaalsContact O-N 3.12Å
406Q80.8Confident71.7Confident81 Ų8194.6 Ų94.638%0.37950%0.498SS..Hα-helixtrans-73.6-35176.8-167.1177.541.900112.1F402 L403 Y404 S409 R410F402-Q406 PolarHBondContact O-N 2.91Å; L403-Q406 PolarHBondContact O-N 2.7Å; Y404-Q406 VanDerWaalsContact C-N 3.31Å; Y404-Q406 PolarHBondContact O-N 3.35Å; Q406-S409 WeakPolarHBondContact O-CB 3.14Å; Q406-S409 PolarHBondContact O-N 3.04Å; Q406-R410 PolarHBondContact O-N 3.11Å
407F79Confident68.8Low152 Ų15295 Ų9567%0.66750%0.504SS*.Hα-helixtrans-68.3-46.7176.7-170.5-95.1000111.4L403 Y404 S409 R410 G411L403-F407 WeakPolarHBondContact O-CB 3.37Å; L403-F407 PolarHBondContact O-N 3.42Å; Y404-F407 PolarHBondContact O-N 2.99Å; F407-S409 PolarHBondContact O-N 3.45Å; F407-R410 WeakPolarHBondContact O-CA 3.36Å; F407-R410 PolarHBondContact O-N 3.39Å; F407-G411 PolarHBondContact O-N 2.84Å
408I72.3Confident66.1Low67 Ų67100.3 Ų100.334%0.34453%0.529SS..Hα-helixtrans-58.8-38172.2-71.6177.7000111.2Y404 R410 G411Y404-I408 HydrophobicContact CD1-CD1 3.93Å; Y404-I408 HydrophobicContact CE1-CD1 3.41Å; Y404-I408 VanDerWaalsContact CE1-CD1 3.41Å; Y404-I408 HydrophobicContact CE2-CD1 4.14Å; Y404-I408 PolarHBondContact O-N 3.36Å; I408-R410 PolarHBondContact O-N 2.91Å; I408-G411 PolarHBondContact O-N 2.95Å
409S64.6Low63.4Low62 Ų62104.5 Ų104.543%0.43455%0.55SS.*THydrogen-bonded Turntrans-67.3-13.1174.6-170.60000114.5S405 Q406 F407 F420S405-S409 WeakPolarHBondContact O-CB 3.39Å; S405-S409 PolarHBondContact O-N 3.01Å; S405-S409 VanDerWaalsContact O-N 3.12Å; Q406-S409 WeakPolarHBondContact O-CB 3.14Å; Q406-S409 PolarHBondContact O-N 3.04Å; F407-S409 PolarHBondContact O-N 3.45Å; S409-F420 WeakPolarHBondContact OG-CD1 3.49Å
410R59.6Low60.9Low193 Ų193105 Ų10573%0.72855%0.549SS*.THydrogen-bonded Turntrans-100.7-25174.1-73.4177.6172.1-179.9-1.9112.9Q406 F407 I408 K412Q406-R410 PolarHBondContact O-N 3.11Å; F407-R410 WeakPolarHBondContact O-CA 3.36Å; F407-R410 PolarHBondContact O-N 3.39Å; I408-R410 PolarHBondContact O-N 2.91Å; R410-K412 VanDerWaalsContact C-N 3.26Å; R410-K412 PolarHBondContact O-N 2.74Å
411G55.9Low58.1Low64 Ų64109.9 Ų109.966%0.6656%0.561SS**SBendtrans-79.317.3-176.400000116.5F407 I408F407-G411 PolarHBondContact O-N 2.84Å; I408-G411 PolarHBondContact O-N 2.95Å
412K44Very low55.5Low160 Ų160116.3 Ų116.370%0.69658%0.583SS**SBendtrans-126.2132.4177.8-68.6-170.8176.9-1720111.2R410R410-K412 VanDerWaalsContact C-N 3.26Å; R410-K412 PolarHBondContact O-N 2.74Å
413P36.9Very low53.4Low107 Ų107117.3 Ų117.370%0.69559%0.591SS**  trans-65166.1171.929-34.5000111.3T415P413-T415 PolarHBondContact O-N 2.01Å
414C34.4Very low50.7Low121 Ų121121.4 Ų121.482%0.81861%0.605SS**SBendtrans-7643.6-162.1-69.80000116.3
415T33.1Very low47.9Very low122 Ų122118.2 Ų118.275%0.74860%0.602SS**SBendtrans-121.330.7-176.4440000114.8P413P413-T415 PolarHBondContact O-N 2.01Å
416Q36.5Very low45.7Very low173 Ų173122 Ų12281%0.80862%0.618SS**  trans-164.267.5151.6-115.3-175.642.700113.7I418Q416-I418 PolarHBondContact O-N 3.44Å
417V35.2Very low43.5Very low108 Ų108124.8 Ų124.866%0.65563%0.629SS**THydrogen-bonded Turntrans-80.436.4-177.2-162.70000113
418I38.1Very low41.4Very low137 Ų137126.1 Ų126.170%0.70363%0.63SS**THydrogen-bonded Turntrans-104.7-37.4-176.3-71.6178000113Q416Q416-I418 PolarHBondContact O-N 3.44Å
419N36.2Very low39.4Very low102 Ų102131.4 Ų131.455%0.54565%0.653SS.*SBendtrans-107.2-8.8-169-99.2-24000118
420F40.6Very low37.6Very low101 Ų101133.6 Ų133.644%0.44366%0.664SS.*SBendtrans-89.6-22.7172-102.9-110.8000114.1S409 R422 I423S409-F420 WeakPolarHBondContact OG-CD1 3.49Å; F420-R422 PolarHBondContact O-N 3.15Å; F420-R422 VanDerWaalsContact O-N 3.13Å; F420-I423 HydrophobicContact CD1-CD1 3.64Å; F420-I423 HydrophobicContact CD2-CD1 4.45Å; F420-I423 HydrophobicContact CE1-CD1 3.53Å; F420-I423 HydrophobicContact CE2-CD1 4.36Å; F420-I423 HydrophobicContact CG-CD1 4.12Å; F420-I423 HydrophobicContact CZ-CD1 3.92Å; F420-I423 PolarHBondContact O-N 3.47Å; F420-I423 VanDerWaalsContact O-N 3.11Å
421R34.3Very low36Very low204 Ų204129 Ų12977%0.7767%0.667SS**THydrogen-bonded Turntrans-67.8-12176.6-138.4173.9-169.51753.2113.3S425R421-S425 PolarHBondContact O-OG 3.41Å
422R36.9Very low34.7Very low147 Ų147134.7 Ų134.756%0.55568%0.677SS**THydrogen-bonded Turntrans-72.4-30.5170.8-92.9175.2164.9-172.6-3.7113.8F420 F424 S425 M426F420-R422 PolarHBondContact O-N 3.15Å; F420-R422 VanDerWaalsContact O-N 3.13Å; R422-F424 PolarHBondContact O-N 2.88Å; R422-S425 WeakPolarHBondContact CA-OG 3.44Å; R422-S425 PolarHBondContact O-N 2.83Å; R422-M426 HydrophobicContact CB-CE 4.19Å; R422-M426 HydrophobicContact CG-CE 3.91Å; R422-M426 PolarHBondContact O-N 3.28Å
423I43.8Very low33.8Very low102 Ų102134 Ų13452%0.52369%0.685SS.*THydrogen-bonded Turntrans-62-30.7-178.2-63.7-179.9000111.9F420F420-I423 HydrophobicContact CD1-CD1 3.64Å; F420-I423 HydrophobicContact CD2-CD1 4.45Å; F420-I423 HydrophobicContact CE1-CD1 3.53Å; F420-I423 HydrophobicContact CE2-CD1 4.36Å; F420-I423 HydrophobicContact CG-CD1 4.12Å; F420-I423 HydrophobicContact CZ-CD1 3.92Å; F420-I423 PolarHBondContact O-N 3.47Å; F420-I423 VanDerWaalsContact O-N 3.11Å
424F32.9Very low33.3Very low182 Ų182137.1 Ų137.180%0.79869%0.691SS**THydrogen-bonded Turntrans-97.4-0.8176.2-108.8-99.1000115.3R422R422-F424 PolarHBondContact O-N 2.88Å
425S28.7Very low32.9Very low66 Ų66137.6 Ų137.646%0.46269%0.692SS.*THydrogen-bonded Turntrans-125.1-24.4-175.755.90000115.2R421 R422 F427 R428R421-S425 PolarHBondContact O-OG 3.41Å; R422-S425 WeakPolarHBondContact CA-OG 3.44Å; R422-S425 PolarHBondContact O-N 2.83Å; S425-F427 PolarHBondContact O-N 3.18Å; S425-R428 WeakPolarHBondContact O-CB 3.37Å; S425-R428 PolarHBondContact O-N 3.46Å
426M35.1Very low32.6Very low110 Ų110141.6 Ų141.654%0.54270%0.695SS.*SBendtrans-78.5-2179.4-149.8-172.7-63.500114R422 R428R422-M426 HydrophobicContact CB-CE 4.19Å; R422-M426 HydrophobicContact CG-CE 3.91Å; R422-M426 PolarHBondContact O-N 3.28Å; M426-R428 PolarHBondContact O-N 3.04Å
427F36.2Very low32Very low141 Ų141139.5 Ų139.562%0.61869%0.688SS**SBendtrans-70.126.2161.8-128.2-54.7000112.1K17 S425K17-F427 HydrophobicContact CD-CD1 4.02Å; K17-F427 HydrophobicContact CD-CE1 4.43Å; K17-F427 PolarHBondContact NZ-O 2.92Å; S425-F427 PolarHBondContact O-N 3.18Å
428R33.9Very low31.6Very low180 Ų180140 Ų14068%0.67969%0.694SS**  trans-130.939.8-175.1-159.4-164.7-168.6179.15.3111.4E12 S425 M426E12-R428 IonicContact OE1-CZ 3.55Å; E12-R428 IonicContact OE1-NE 2.66Å; E12-R428 IonicContact OE1-NH2 3.65Å; E12-R428 PolarHBondContact OE1-NH2 3.04Å; E12-R428 IonicContact OE2-NH2 3.78Å; S425-R428 WeakPolarHBondContact O-CB 3.37Å; S425-R428 PolarHBondContact O-N 3.46Å; M426-R428 PolarHBondContact O-N 3.04Å
429Q30Very low31Very low178 Ų178139.3 Ų139.383%0.83270%0.696SS**  trans-138.699.5158.4-120.2170.4-14.600108.4
430T26.7Very low30.5Very low107 Ų107143.7 Ų143.766%0.65671%0.713SS**  trans-138.8121.9173.448.90000107.4
431A27.7Very low29.8Very low97 Ų97144.4 Ų144.480%0.80273%0.73SS**  trans63.191.2-178.100000115.9
432E27.2Very low29.5Very low184 Ų184143.9 Ų143.986%0.8674%0.737SS**  trans-15098.6132.5-127.1159.3-134.500109
433T26.2Very low29.2Very low144 Ų144142.9 Ų142.988%0.88375%0.749SS**  trans-90.5100174.731.20000109.6
434Q26.1Very low28.6Very low173 Ų173146.3 Ų146.381%0.80877%0.768SS**  trans-120.9140.9158-72.3-158.8-18.300109.4
435P25.8Very low28.5Very low131 Ų131141 Ų14185%0.85177%0.766SS**  trans-73.9140.7176.331.8-33.9000110
436Y27Very low28.6Very low207 Ų207144.9 Ų144.981%0.81278%0.781SS**  trans-129.8150167.3-163.9-97.6000110.9
437I24.2Very low28.5Very low128 Ų128145.5 Ų145.566%0.65679%0.787SS**  trans-90.2130-168.6-60.5162.2000108.9V439I437-V439 PolarHBondContact O-N 2.83Å
438P26.6Very low28.2Very low118 Ų118145.8 Ų145.877%0.76680%0.795SS**  trans-70.3130.5169.430-32.4000109.7
439V25.5Very low28.1Very low124 Ų124144.9 Ų144.975%0.75280%0.803SS**  trans-104.5130.2164.8175.70000106.5I437I437-V439 PolarHBondContact O-N 2.83Å
440E24.7Very low28.3Very low194 Ų194140.5 Ų140.591%0.90779%0.786SS**  trans-79.2141.7177.3-68169.3127.900110.7
441S27.5Very low28.7Very low115 Ų115144.1 Ų144.180%0.80480%0.795SS**  trans-151.8128.2168.160.70000108.8
442E26.1Very low29Very low194 Ų194146.7 Ų146.791%0.90780%0.795SS**  trans-74.8156.6-172.7-63163.2117.400112.7
443P31.3Very low29.6Very low126 Ų126140 Ų14082%0.81877%0.766SS**  trans-102.6114.2172.435.1-26.7000112.5
444D30.4Very low30.3Very low173 Ų173136.9 Ų136.993%0.92574%0.744SS**  trans-71.4157.2154.9-78.7-48.4000110.4
445G32.2Very low31.2Very low72 Ų72134.8 Ų134.874%0.74274%0.738SS**  trans-119.9-144.3-159.300000117.9
446D31.3Very low32.3Very low146 Ų146132.5 Ų132.578%0.78172%0.722SS**  trans83.8122.2170.5-85.730.4000121.7
447N31Very low33.5Very low123 Ų123125.1 Ų125.166%0.65870%0.696SS**  trans83.492.3143.8-52.9-25.5000121.7
448D30.9Very low35.1Very low147 Ų147122.9 Ų122.979%0.78669%0.688SS**  71.2165.7120.3-61.2-16.7000123.7
449D32.1Very low36.8Very low161 Ų161122 Ų12286%0.86168%0.681SS**  trans63.673.7172.2-69.1-16.9000120.5
450D34.2Very low38.8Very low87 Ų87119.3 Ų119.347%0.46567%0.668SS.*  trans-164.756.3147.3-148.21.1000116.4N452 N453 R815D450-N452 PolarHBondContact O-N 3.38Å; D450-N452 VanDerWaalsContact O-N 3.14Å; D450-N453 VanDerWaalsContact CG-ND2 3.34Å; D450-N453 PolarHBondContact OD1-ND2 3.09Å; D450-N453 PolarHBondContact OD2-ND2 2.64Å; D450-R815 IonicContact OD2-NH1 3.91Å; D450-R815 PolarHBondContact OD2-NH1 3.19Å
451E34.4Very low41.2Very low182 Ų182112.1 Ų112.185%0.8564%0.639SS**G310 helixtrans-68.1-13.8-174-152.2177.7-159.300115
452N34.7Very low43.6Very low152 Ų152112.4 Ų112.481%0.81363%0.631SS**G310 helixtrans-86.5-5.7-173.6-91.9-57.3000116.1D450 N454D450-N452 PolarHBondContact O-N 3.38Å; D450-N452 VanDerWaalsContact O-N 3.14Å; N452-N454 PolarHBondContact O-N 2.88Å
453N39Very low46.4Very low44 Ų44106 Ų10624%0.23560%0.6CS.*G310 helixtrans-87.73.3-174.8-95.2-53.6000115.8D450 T456 R814 R815D450-N453 VanDerWaalsContact CG-ND2 3.34Å; D450-N453 PolarHBondContact OD1-ND2 3.09Å; D450-N453 PolarHBondContact OD2-ND2 2.64Å; N453-T456 PolarHBondContact O-OG1 3.41Å; N453-T456 VanDerWaalsContact O-OG1 3.08Å; N453-R814 PolarHBondContact O-NH2 3.44Å; N453-R815 PolarHBondContact ND2-NH1 3.43Å
454N41.1Very low49Very low78 Ų78103.8 Ų103.842%0.41758%0.584SS.*Hα-helixtrans-76.6-28.9-173.7-65.8-15.7000114.7N452 T458 R814N452-N454 PolarHBondContact O-N 2.88Å; N454-T458 WeakPolarHBondContact O-CG2 3.37Å; N454-T458 PolarHBondContact O-N 3.15Å; N454-T458 PolarHBondContact O-OG1 2.97Å; N454-R814 VanDerWaalsContact OD1-CZ 3.29Å; N454-R814 PolarHBondContact OD1-NH1 2.89Å; N454-R814 PolarHBondContact OD1-NH2 3.13Å
455N44.9Very low51.6Low128 Ų12899.2 Ų99.268%0.68456%0.557SS**Hα-helixtrans-82.3-25.5-176.1-68.4-22.4000113.6T458 T459N455-T458 PolarHBondContact O-OG1 3.18Å; N455-T459 WeakPolarHBondContact O-CB 3.32Å; N455-T459 PolarHBondContact O-N 3.35Å; N455-T459 PolarHBondContact O-OG1 3.24Å
456T48.5Very low54.3Low84 Ų84100.3 Ų100.352%0.51554%0.542SS..Hα-helixtrans-77.8-46176.4420000111.6N453 T458 T459 S460N453-T456 PolarHBondContact O-OG1 3.41Å; N453-T456 VanDerWaalsContact O-OG1 3.08Å; T456-T458 PolarHBondContact O-N 2.91Å; T456-T459 PolarHBondContact O-N 3.45Å; T456-S460 PolarHBondContact O-N 3.4Å; T456-S460 VanDerWaalsContact O-N 3.12Å
457D53.5Low57Low51 Ų5197 Ų9727%0.27352%0.519SS..Hα-helixtrans-57.1-50.4176.3-78.5-24.1000111.3S460 S461 P813 R814D457-S460 PolarHBondContact O-N 3.5Å; D457-S460 PolarHBondContact O-OG 2.72Å; D457-S461 PolarHBondContact O-N 2.72Å; D457-S461 VanDerWaalsContact O-N 3.08Å; D457-P813 HydrophobicContact CB-CG 4.45Å; D457-R814 IonicContact OD2-CZ 3.23Å; D457-R814 IonicContact OD2-NE 2.85Å; D457-R814 PolarHBondContact OD2-NE 3.36Å; D457-R814 VanDerWaalsContact OD2-NE 3.13Å; D457-R814 IonicContact OD2-NH2 2.82Å; D457-R814 PolarHBondContact OD2-NH2 3.49Å
458T57.6Low59.8Low81 Ų8195.3 Ų95.350%0.49751%0.507SS..Hα-helixtrans-65.5-38.9-178.246.10000113.9N454 N455 T456 S460 S461 L462N454-T458 WeakPolarHBondContact O-CG2 3.37Å; N454-T458 PolarHBondContact O-N 3.15Å; N454-T458 PolarHBondContact O-OG1 2.97Å; N455-T458 PolarHBondContact O-OG1 3.18Å; T456-T458 PolarHBondContact O-N 2.91Å; T458-S460 VanDerWaalsContact C-N 3.29Å; T458-S460 PolarHBondContact O-N 2.67Å; T458-S461 PolarHBondContact O-N 3.2Å; T458-S461 PolarHBondContact O-OG 3.16Å; T458-S461 VanDerWaalsContact O-OG 3.07Å; T458-L462 PolarHBondContact O-N 3.48Å
459T61.6Low62.7Low100 Ų10090.7 Ų90.761%0.61348%0.482SS*.Hα-helixtrans-63.8-37.6173.9-57.60000111N455 T456 F463N455-T459 WeakPolarHBondContact O-CB 3.32Å; N455-T459 PolarHBondContact O-N 3.35Å; N455-T459 PolarHBondContact O-OG1 3.24Å; T456-T459 PolarHBondContact O-N 3.45Å; T459-F463 PolarHBondContact O-N 3.49Å
460S67.3Low65.5Low67 Ų6783.4 Ų83.447%0.46944%0.443SS..Hα-helixtrans-68.9-4017981.90000113.1T456 D457 T458 F463 V464T456-S460 PolarHBondContact O-N 3.4Å; T456-S460 VanDerWaalsContact O-N 3.12Å; D457-S460 PolarHBondContact O-N 3.5Å; D457-S460 PolarHBondContact O-OG 2.72Å; T458-S460 VanDerWaalsContact C-N 3.29Å; T458-S460 PolarHBondContact O-N 2.67Å; S460-F463 PolarHBondContact O-N 2.93Å; S460-V464 WeakPolarHBondContact O-CG2 3.02Å; S460-V464 PolarHBondContact O-N 3.15Å; S460-V464 VanDerWaalsContact O-N 3.15Å
461S76.2Confident68.3Low43 Ų4380 Ų8030%0.30143%0.427SS..Hα-helixtrans-69.1-41179.2610000112D457 T458 F463 V464 E465D457-S461 PolarHBondContact O-N 2.72Å; D457-S461 VanDerWaalsContact O-N 3.08Å; T458-S461 PolarHBondContact O-N 3.2Å; T458-S461 PolarHBondContact O-OG 3.16Å; T458-S461 VanDerWaalsContact O-OG 3.07Å; S461-F463 VanDerWaalsContact C-N 3.35Å; S461-F463 PolarHBondContact O-N 3.28Å; S461-V464 PolarHBondContact O-N 3.25Å; S461-V464 VanDerWaalsContact O-N 3.17Å; S461-E465 PolarHBondContact O-N 2.93Å
462L78.3Confident71.1Confident122 Ų12271.6 Ų71.664%0.63939%0.388SS*.Hα-helixtrans-63.7-38.8176.5-171.3149.6000112.1T458 V464 F466T458-L462 PolarHBondContact O-N 3.48Å; L462-V464 VanDerWaalsContact C-N 3.35Å; L462-F466 VanDerWaalsContact O-CB 3.28Å; L462-F466 WeakPolarHBondContact O-CB 3.36Å; L462-F466 PolarHBondContact O-N 2.65Å
463F84.7Confident73.9Confident59 Ų5965.7 Ų65.726%0.25936%0.356SS..Hα-helixtrans-61.8-41.1173.1175.2-95.4000112.2C401 Y404 T459 S460 S461 Y467C401-F463 HydrophobicContact CB-CE2 3.99Å; C401-F463 HydrophobicContact CB-CZ 3.98Å; Y404-F463 HydrophobicContact CD1-CD2 4.25Å; Y404-F463 AromaticContact CD1-CE2 3.54Å; Y404-F463 HydrophobicContact CD1-CE2 3.54Å; Y404-F463 AromaticContact CD1-CZ 3.82Å; Y404-F463 HydrophobicContact CD1-CZ 3.82Å; Y404-F463 HydrophobicContact CE1-CD2 4.3Å; Y404-F463 HydrophobicContact CE1-CE2 4.05Å; T459-F463 PolarHBondContact O-N 3.49Å; S460-F463 PolarHBondContact O-N 2.93Å; S461-F463 VanDerWaalsContact C-N 3.35Å; S461-F463 PolarHBondContact O-N 3.28Å; F463-Y467 WeakPolarHBondContact O-CB 3.48Å; F463-Y467 PolarHBondContact O-N 2.9Å
464V84.6Confident76.5Confident80 Ų8064.2 Ų64.249%0.48535%0.349SS..Hα-helixtrans-66.6-48.3177.2172.70000111.3S460 S461 L462 F466 Y467 E468S460-V464 WeakPolarHBondContact O-CG2 3.02Å; S460-V464 PolarHBondContact O-N 3.15Å; S460-V464 VanDerWaalsContact O-N 3.15Å; S461-V464 PolarHBondContact O-N 3.25Å; S461-V464 VanDerWaalsContact O-N 3.17Å; L462-V464 VanDerWaalsContact C-N 3.35Å; V464-F466 VanDerWaalsContact C-N 3.3Å; V464-F466 PolarHBondContact O-N 2.93Å; V464-Y467 PolarHBondContact O-N 3.37Å; V464-E468 HydrophobicContact CG1-CG 4.47Å; V464-E468 PolarHBondContact O-N 3.36Å
465E85.1Confident79Confident77 Ų7764.8 Ų64.836%0.3635%0.348SS..Hα-helixtrans-58.4-42.1176.7-71.8-171.9175.600111.7S461 L469 H810 Y1393S461-E465 PolarHBondContact O-N 2.93Å; E465-L469 WeakPolarHBondContact O-CB 3.36Å; E465-L469 PolarHBondContact O-N 2.87Å; E465-H810 IonicContact OE1-CE1 2.63Å; E465-H810 PolarHBondContact OE1-CE1 3.49Å; E465-H810 IonicContact OE1-ND1 3.88Å; E465-H810 PolarHBondContact OE1-ND1 2.95Å; E465-Y1393 HydrophobicContact CB-CE1 4.44Å
466F89Confident81.4Confident95 Ų9558.9 Ų58.942%0.41732%0.316SS..Hα-helixtrans-67.4-41.8177.3-178.2-100.1000112.7S397 L462 V464 T470S397-F466 VanDerWaalsContact OG-CE1 3.27Å; S397-F466 WeakPolarHBondContact OG-CE1 3.49Å; S397-F466 VanDerWaalsContact OG-CZ 3.31Å; S397-F466 WeakPolarHBondContact OG-CZ 3.39Å; L462-F466 VanDerWaalsContact O-CB 3.28Å; L462-F466 WeakPolarHBondContact O-CB 3.36Å; L462-F466 PolarHBondContact O-N 2.65Å; V464-F466 VanDerWaalsContact C-N 3.3Å; V464-F466 PolarHBondContact O-N 2.93Å; F466-T470 HydrophobicContact CD1-CG2 4.35Å; F466-T470 HydrophobicContact CD2-CG2 4.37Å; F466-T470 HydrophobicContact CE1-CG2 3.93Å; F466-T470 HydrophobicContact CE2-CG2 3.95Å; F466-T470 HydrophobicContact CZ-CG2 3.72Å; F466-T470 WeakPolarHBondContact O-CB 3.4Å; F466-T470 WeakPolarHBondContact O-CG2 3.39Å; F466-T470 PolarHBondContact O-N 2.72Å; F466-T470 PolarHBondContact O-OG1 3.41Å
467Y89.2Confident83.6Confident76 Ų7655 Ų5530%0.29829%0.293SS..Hα-helixtrans-64.9-42175.5176.7-116.3000112T398 C401 F402 F463 V464 T470 S471T398-Y467 HydrophobicContact CG2-CE2 3.92Å; C401-Y467 HydrophobicContact CB-CD2 3.51Å; C401-Y467 HydrophobicContact CB-CE2 4.21Å; C401-Y467 HydrophobicContact CB-CG 4.3Å; F402-Y467 HydrophobicContact CB-CE2 4.45Å; F463-Y467 WeakPolarHBondContact O-CB 3.48Å; F463-Y467 PolarHBondContact O-N 2.9Å; V464-Y467 PolarHBondContact O-N 3.37Å; Y467-T470 WeakPolarHBondContact CA-OG1 3.3Å; Y467-T470 PolarHBondContact O-OG1 2.91Å; Y467-S471 WeakPolarHBondContact O-CB 3.35Å; Y467-S471 PolarHBondContact O-N 2.63Å
468E89Confident85.5Confident88 Ų8854.7 Ų54.741%0.41130%0.298SS..Hα-helixtrans-66-42.8177-73.2-146.8124.700112.3V464 S471 A472 Y1393V464-E468 HydrophobicContact CG1-CG 4.47Å; V464-E468 PolarHBondContact O-N 3.36Å; E468-S471 PolarHBondContact O-N 2.98Å; E468-A472 VanDerWaalsContact O-CB 3.32Å; E468-A472 WeakPolarHBondContact O-CB 3.14Å; E468-A472 PolarHBondContact O-N 2.75Å; E468-Y1393 VanDerWaalsContact CB-OH 3.24Å; E468-Y1393 WeakPolarHBondContact CB-OH 3.45Å; E468-Y1393 PolarHBondContact OE2-OH 2.93Å
469L91.3Very high87.2Confident49 Ų4951.7 Ų51.726%0.25728%0.278SS..Hα-helixtrans-61.5-51.7176.1176.157.9000111.8E465 S471 A472 L473 L1390 Y1393E465-L469 WeakPolarHBondContact O-CB 3.36Å; E465-L469 PolarHBondContact O-N 2.87Å; L469-S471 VanDerWaalsContact C-N 3.35Å; L469-S471 PolarHBondContact O-N 2.86Å; L469-A472 PolarHBondContact O-N 3.05Å; L469-L473 HydrophobicContact CD1-CD1 3.9Å; L469-L473 HydrophobicContact CD1-CG 4.16Å; L469-L473 HydrophobicContact CG-CD1 4.12Å; L469-L473 WeakPolarHBondContact O-CG 3.4Å; L469-L473 PolarHBondContact O-N 2.93Å; L469-L1390 HydrophobicContact CD1-CD2 3.74Å; L469-Y1393 HydrophobicContact CB-CD1 4.08Å; L469-Y1393 HydrophobicContact CB-CE1 4.07Å; L469-Y1393 HydrophobicContact CB-CG 4.47Å; L469-Y1393 HydrophobicContact CD1-CD1 4.32Å; L469-Y1393 HydrophobicContact CD1-CD2 4.25Å; L469-Y1393 HydrophobicContact CD1-CG 3.93Å; L469-Y1393 HydrophobicContact CD2-CD1 4.37Å; L469-Y1393 HydrophobicContact CG-CD1 4.49Å
470T91.5Very high88.8Confident9 Ų947 Ų476%0.05525%0.249CC..Hα-helixtrans-64.2-39.5178.651.80000111.6T398 F466 Y467 A472 L473 S474T398-T470 PolarHBondContact OG1-O 2.86Å; T398-T470 VanDerWaalsContact OG1-O 3.05Å; F466-T470 HydrophobicContact CD1-CG2 4.35Å; F466-T470 HydrophobicContact CD2-CG2 4.37Å; F466-T470 HydrophobicContact CE1-CG2 3.93Å; F466-T470 HydrophobicContact CE2-CG2 3.95Å; F466-T470 HydrophobicContact CZ-CG2 3.72Å; F466-T470 WeakPolarHBondContact O-CB 3.4Å; F466-T470 WeakPolarHBondContact O-CG2 3.39Å; F466-T470 PolarHBondContact O-N 2.72Å; F466-T470 PolarHBondContact O-OG1 3.41Å; Y467-T470 WeakPolarHBondContact CA-OG1 3.3Å; Y467-T470 PolarHBondContact O-OG1 2.91Å; T470-A472 VanDerWaalsContact C-N 3.3Å; T470-A472 PolarHBondContact O-N 3.2Å; T470-L473 PolarHBondContact O-N 3.37Å; T470-S474 WeakPolarHBondContact O-CB 3.43Å; T470-S474 PolarHBondContact O-N 3.24Å; T470-S474 PolarHBondContact O-OG 2.79Å
471S92Very high89.9Confident16 Ų1647.6 Ų47.611%0.11225%0.246CC..Hα-helixtrans-69-24.4175.8-1600000113.3T398 Y467 E468 L469 S474 K475T398-S471 PolarHBondContact OG1-N 3.28Å; Y467-S471 WeakPolarHBondContact O-CB 3.35Å; Y467-S471 PolarHBondContact O-N 2.63Å; E468-S471 PolarHBondContact O-N 2.98Å; L469-S471 VanDerWaalsContact C-N 3.35Å; L469-S471 PolarHBondContact O-N 2.86Å; S471-S474 WeakPolarHBondContact CA-OG 3.19Å; S471-S474 PolarHBondContact O-OG 3.2Å; S471-K475 VanDerWaalsContact O-CG 3.26Å; S471-K475 WeakPolarHBondContact O-CG 3.17Å; S471-K475 PolarHBondContact O-NZ 3.39Å; S471-K475 PolarHBondContact OG-NZ 3.22Å
472A93.4Very high90.7Very high5 Ų546.2 Ų46.24%0.04123%0.234CC..Hα-helixtrans-78.9-46.1171.600000111.3E468 L469 T470 S474 K475 F476 L1386 L1390E468-A472 VanDerWaalsContact O-CB 3.32Å; E468-A472 WeakPolarHBondContact O-CB 3.14Å; E468-A472 PolarHBondContact O-N 2.75Å; L469-A472 PolarHBondContact O-N 3.05Å; T470-A472 VanDerWaalsContact C-N 3.3Å; T470-A472 PolarHBondContact O-N 3.2Å; A472-S474 PolarHBondContact O-N 3.13Å; A472-K475 PolarHBondContact O-N 3.24Å; A472-F476 WeakPolarHBondContact O-CB 2.9Å; A472-F476 PolarHBondContact O-N 3.47Å; A472-L1386 HydrophobicContact CB-CD2 4.07Å; A472-L1390 HydrophobicContact CB-CD2 3.77Å; A472-L1390 HydrophobicContact CB-CG 4.05Å
473L93.9Very high91.4Very high28 Ų2840.4 Ų40.415%0.14720%0.204CC..Hα-helixtrans-63.8-39.1177.9-70.5172.9000112.6F390 C394 L469 T470 F476 G477 L1390F390-L473 HydrophobicContact CZ-CD1 4.28Å; C394-L473 HydrophobicContact CB-CB 4.1Å; L469-L473 HydrophobicContact CD1-CD1 3.9Å; L469-L473 HydrophobicContact CD1-CG 4.16Å; L469-L473 HydrophobicContact CG-CD1 4.12Å; L469-L473 WeakPolarHBondContact O-CG 3.4Å; L469-L473 PolarHBondContact O-N 2.93Å; T470-L473 PolarHBondContact O-N 3.37Å; L473-F476 PolarHBondContact O-N 3.02Å; L473-G477 PolarHBondContact O-N 3.46Å; L473-L1390 HydrophobicContact CD2-CD1 4.21Å; L473-L1390 HydrophobicContact CD2-CD2 3.84Å; L473-L1390 HydrophobicContact CG-CD2 3.97Å
474S93.8Very high91.7Very high12 Ų1238.4 Ų38.48%0.08420%0.195CC..Hα-helixtrans-68.8-38177.657.60000113T398 T470 S471 A472 G477 A478T398-S474 PolarHBondContact OG1-OG 2.79Å; T470-S474 WeakPolarHBondContact O-CB 3.43Å; T470-S474 PolarHBondContact O-N 3.24Å; T470-S474 PolarHBondContact O-OG 2.79Å; S471-S474 WeakPolarHBondContact CA-OG 3.19Å; S471-S474 PolarHBondContact O-OG 3.2Å; A472-S474 PolarHBondContact O-N 3.13Å; S474-G477 PolarHBondContact O-N 2.66Å; S474-A478 WeakPolarHBondContact O-CB 3.09Å; S474-A478 PolarHBondContact O-N 2.86Å
475K93.7Very high91.8Very high91 Ų9136.4 Ų36.440%0.39618%0.181SC..Hα-helixtrans-65.8-42.5172-70.7-178.4-16184.20112.1S471 A472 A478 I479 L1386S471-K475 VanDerWaalsContact O-CG 3.26Å; S471-K475 WeakPolarHBondContact O-CG 3.17Å; S471-K475 PolarHBondContact O-NZ 3.39Å; S471-K475 PolarHBondContact OG-NZ 3.22Å; A472-K475 PolarHBondContact O-N 3.24Å; K475-A478 PolarHBondContact O-N 2.93Å; K475-I479 WeakPolarHBondContact O-CG1 3.49Å; K475-I479 PolarHBondContact O-N 3.49Å; K475-I479 VanDerWaalsContact O-N 3.1Å; K475-L1386 HydrophobicContact CB-CD1 3.86Å; K475-L1386 HydrophobicContact CB-CD2 4.05Å; K475-L1386 HydrophobicContact CD-CD2 4.32Å
476F94.9Very high92Very high3 Ų332.7 Ų32.71%0.01316%0.164CC..Hα-helixtrans-63-44.1176.1-173.6-98.2000111.2Y391 A472 L473 I479 M480 F659 F660 L1386 T1387Y391-F476 HydrophobicContact CE1-CD1 4.16Å; A472-F476 WeakPolarHBondContact O-CB 2.9Å; A472-F476 PolarHBondContact O-N 3.47Å; L473-F476 PolarHBondContact O-N 3.02Å; F476-I479 PolarHBondContact O-N 3.29Å; F476-M480 HydrophobicContact CD1-CE 4.37Å; F476-M480 HydrophobicContact CD1-CG 4.29Å; F476-M480 HydrophobicContact CE1-CE 3.52Å; F476-M480 HydrophobicContact CE1-CG 4.19Å; F476-M480 HydrophobicContact CE2-CE 3.89Å; F476-M480 HydrophobicContact CZ-CE 3.24Å; F476-M480 WeakPolarHBondContact O-CG 3.3Å; F476-M480 PolarHBondContact O-N 2.99Å; F476-F659 HydrophobicContact CD1-CE1 4.44Å; F476-F659 HydrophobicContact CD2-CE1 4.29Å; F476-F659 AromaticContact CE1-CE1 3.9Å; F476-F659 HydrophobicContact CE1-CE1 3.9Å; F476-F659 HydrophobicContact CE1-CZ 4.19Å; F476-F659 HydrophobicContact CE2-CD1 4.22Å; F476-F659 AromaticContact CE2-CE1 3.74Å; F476-F659 HydrophobicContact CE2-CE1 3.74Å; F476-F659 AromaticContact CZ-CD1 3.99Å; F476-F659 HydrophobicContact CZ-CD1 3.99Å; F476-F659 AromaticContact CZ-CE1 3.49Å; F476-F659 HydrophobicContact CZ-CE1 3.49Å; F476-F659 VanDerWaalsContact CZ-CE1 3.49Å; F476-F659 HydrophobicContact CZ-CZ 4.22Å; F476-F660 HydrophobicContact CE2-CD2 4.11Å; F476-F660 HydrophobicContact CZ-CD2 4.28Å; F476-L1386 HydrophobicContact CB-CD1 4.42Å; F476-T1387 HydrophobicContact CE2-CG2 4.46Å
477G94.2Very high91.9Very high3 Ų328.3 Ų28.33%0.03115%0.145CC..Hα-helixtrans-61.2-41173.900000113.9Y391 L473 S474 I479 M480 M481Y391-G477 VanDerWaalsContact CG-CA 3.41Å; L473-G477 PolarHBondContact O-N 3.46Å; S474-G477 PolarHBondContact O-N 2.66Å; G477-I479 VanDerWaalsContact C-N 3.34Å; G477-I479 PolarHBondContact O-N 3.39Å; G477-M480 PolarHBondContact O-N 3.24Å; G477-M481 WeakPolarHBondContact O-CB 3.37Å; G477-M481 PolarHBondContact O-N 2.99Å
478A93.5Very high91.7Very high45 Ų4525.8 Ų25.837%0.37214%0.135SC..Hα-helixtrans-64.1-37.2175.200000112.6S474 K475 Y482S474-A478 WeakPolarHBondContact O-CB 3.09Å; S474-A478 PolarHBondContact O-N 2.86Å; K475-A478 PolarHBondContact O-N 2.93Å; A478-Y482 PolarHBondContact O-N 3.39Å; A478-Y482 VanDerWaalsContact O-N 3.07Å
479I94.4Very high91.3Very high17 Ų1722.7 Ų22.79%0.08712%0.122CC..Hα-helixtrans-66.5-43.8173.3-69.6166.3000110.7K475 F476 G477 Y482 F483 I1379 E1382 V1383 L1386K475-I479 WeakPolarHBondContact O-CG1 3.49Å; K475-I479 PolarHBondContact O-N 3.49Å; K475-I479 VanDerWaalsContact O-N 3.1Å; F476-I479 PolarHBondContact O-N 3.29Å; G477-I479 VanDerWaalsContact C-N 3.34Å; G477-I479 PolarHBondContact O-N 3.39Å; I479-Y482 WeakPolarHBondContact O-CB 3.22Å; I479-Y482 PolarHBondContact O-N 3.09Å; I479-F483 HydrophobicContact CG2-CD2 4.38Å; I479-F483 HydrophobicContact CG2-CE1 3.75Å; I479-F483 HydrophobicContact CG2-CE2 3.66Å; I479-F483 HydrophobicContact CG2-CZ 3.3Å; I479-F483 WeakPolarHBondContact O-CD1 3.19Å; I479-F483 WeakPolarHBondContact O-CG 3.4Å; I479-F483 PolarHBondContact O-N 3.28Å; I479-I1379 HydrophobicContact CD1-CG2 4.42Å; I479-I1379 HydrophobicContact CG1-CG2 4.35Å; I479-I1379 HydrophobicContact CG2-CG2 3.59Å; I479-E1382 HydrophobicContact CD1-CB 4.07Å; I479-V1383 HydrophobicContact CD1-CG2 4.11Å; I479-V1383 HydrophobicContact CG2-CG2 3.9Å; I479-L1386 HydrophobicContact CD1-CD1 3.9Å
480M94.2Very high90.5Very high1 Ų121.5 Ų21.51%0.00512%0.116CC..Hα-helixtrans-63.4-41.6176.6-71.9-62.6-179.700112.8Y391 F476 G477 Y482 F483 F484 F660 L664 V667Y391-M480 HydrophobicContact CE2-CB 4.34Å; F476-M480 HydrophobicContact CD1-CE 4.37Å; F476-M480 HydrophobicContact CD1-CG 4.29Å; F476-M480 HydrophobicContact CE1-CE 3.52Å; F476-M480 HydrophobicContact CE1-CG 4.19Å; F476-M480 HydrophobicContact CE2-CE 3.89Å; F476-M480 HydrophobicContact CZ-CE 3.24Å; F476-M480 WeakPolarHBondContact O-CG 3.3Å; F476-M480 PolarHBondContact O-N 2.99Å; G477-M480 PolarHBondContact O-N 3.24Å; M480-Y482 VanDerWaalsContact C-N 3.31Å; M480-Y482 PolarHBondContact O-N 3.3Å; M480-F483 PolarHBondContact O-N 3.02Å; M480-F483 HydrophobicContact SD-CD2 4.14Å; M480-F484 PolarHBondContact O-N 2.75Å; M480-F660 HydrophobicContact CE-CD2 3.58Å; M480-F660 HydrophobicContact CE-CE2 3.67Å; M480-L664 HydrophobicContact CE-CG 4.04Å; M480-L664 HydrophobicContact SD-CD2 3.92Å; M480-L664 HydrophobicContact SD-CG 3.96Å; M480-V667 HydrophobicContact CB-CG1 4.27Å; M480-V667 HydrophobicContact CB-CG2 4.07Å; M480-V667 HydrophobicContact CG-CG2 4.45Å
481M91.8Very high89.7Confident81 Ų8122.2 Ų22.240%0.39912%0.119SC..Hα-helixtrans-60.8-40.9173.9-17460.4165.400111.3F388 G477 F483 F484 I485F388-M481 HydrophobicContact CD1-SD 3.65Å; F388-M481 HydrophobicContact CE1-CB 4.36Å; F388-M481 HydrophobicContact CE1-SD 3.45Å; F388-M481 WeakPolarHBondContact CE1-SD 3.11Å; F388-M481 HydrophobicContact CE2-SD 4.48Å; F388-M481 HydrophobicContact CG-SD 4.27Å; F388-M481 HydrophobicContact CZ-SD 3.91Å; G477-M481 WeakPolarHBondContact O-CB 3.37Å; G477-M481 PolarHBondContact O-N 2.99Å; M481-F483 VanDerWaalsContact C-N 3.35Å; M481-F483 PolarHBondContact O-N 2.79Å; M481-F484 PolarHBondContact O-N 3.02Å; M481-I485 HydrophobicContact CE-CD1 4.43Å; M481-I485 HydrophobicContact CG-CD1 4.05Å; M481-I485 VanDerWaalsContact O-CG1 3.25Å; M481-I485 WeakPolarHBondContact O-CG1 3.49Å; M481-I485 PolarHBondContact O-N 2.96Å
482Y92.2Very high89.2Confident14 Ų1421.6 Ų21.66%0.05511%0.114CC..Hα-helixtrans-62.1-39.1174.4-179.9-107.5000112.6M27 A478 I479 M480 I485 C486 F492 I1348 I1375 I1379M27-Y482 HydrophobicContact CB-CD2 4.49Å; M27-Y482 HydrophobicContact CB-CE2 4.14Å; M27-Y482 HydrophobicContact CE-CD1 3.69Å; M27-Y482 HydrophobicContact CE-CD2 3.88Å; M27-Y482 HydrophobicContact CE-CE1 4.04Å; M27-Y482 HydrophobicContact CE-CE2 4.24Å; M27-Y482 HydrophobicContact CE-CG 3.59Å; M27-Y482 HydrophobicContact CG-CE1 4.46Å; M27-Y482 HydrophobicContact CG-CE2 4.1Å; A478-Y482 PolarHBondContact O-N 3.39Å; A478-Y482 VanDerWaalsContact O-N 3.07Å; I479-Y482 WeakPolarHBondContact O-CB 3.22Å; I479-Y482 PolarHBondContact O-N 3.09Å; M480-Y482 VanDerWaalsContact C-N 3.31Å; M480-Y482 PolarHBondContact O-N 3.3Å; Y482-I485 PolarHBondContact O-N 2.93Å; Y482-C486 WeakPolarHBondContact O-CB 3.38Å; Y482-C486 PolarHBondContact O-N 3.37Å; Y482-C486 PolarHBondContact O-SG 2.83Å; Y482-F492 HydrophobicContact CE2-CE2 4.26Å; Y482-F492 HydrophobicContact CE2-CZ 4.46Å; Y482-I1348 HydrophobicContact CE1-CG2 4.37Å; Y482-I1375 HydrophobicContact CE1-CG2 4.32Å; Y482-I1379 HydrophobicContact CD1-CD1 3.89Å; Y482-I1379 HydrophobicContact CE1-CD1 3.76Å
483F93.1Very high88.6Confident0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-66.2-43175.7-61.6-13.8000112.4I479 M480 M481 I485 C486 D487 F660 L664 A1344 H1347 I1348 I1379I479-F483 HydrophobicContact CG2-CD2 4.38Å; I479-F483 HydrophobicContact CG2-CE1 3.75Å; I479-F483 HydrophobicContact CG2-CE2 3.66Å; I479-F483 HydrophobicContact CG2-CZ 3.3Å; I479-F483 WeakPolarHBondContact O-CD1 3.19Å; I479-F483 WeakPolarHBondContact O-CG 3.4Å; I479-F483 PolarHBondContact O-N 3.28Å; M480-F483 PolarHBondContact O-N 3.02Å; M480-F483 HydrophobicContact SD-CD2 4.14Å; M481-F483 VanDerWaalsContact C-N 3.35Å; M481-F483 PolarHBondContact O-N 2.79Å; F483-I485 VanDerWaalsContact C-N 3.31Å; F483-I485 PolarHBondContact O-N 2.97Å; F483-C486 PolarHBondContact O-N 3.41Å; F483-D487 WeakPolarHBondContact O-CB 3.32Å; F483-D487 PolarHBondContact O-N 3.49Å; F483-F660 AromaticContact CE2-CE2 3.85Å; F483-F660 HydrophobicContact CE2-CE2 3.85Å; F483-F660 AromaticContact CE2-CZ 3.81Å; F483-F660 HydrophobicContact CE2-CZ 3.81Å; F483-F660 HydrophobicContact CZ-CZ 4.45Å; F483-L664 HydrophobicContact CD2-CD2 3.81Å; F483-A1344 HydrophobicContact CZ-CB 4.27Å; F483-H1347 HydrophobicContact CB-CB 3.91Å; F483-H1347 HydrophobicContact CD1-CB 4.44Å; F483-H1347 HydrophobicContact CG-CB 4.11Å; F483-I1348 HydrophobicContact CD1-CD1 4.1Å; F483-I1348 HydrophobicContact CD1-CG1 3.82Å; F483-I1348 HydrophobicContact CE1-CD1 3.28Å; F483-I1348 HydrophobicContact CE1-CG1 3.52Å; F483-I1348 HydrophobicContact CZ-CD1 3.92Å; F483-I1348 HydrophobicContact CZ-CG1 4.37Å; F483-I1379 HydrophobicContact CE1-CG2 3.85Å; F483-I1379 HydrophobicContact CZ-CG2 3.7Å
484F90.9Very high88.2Confident16 Ų1622 Ų227%0.0712%0.115CC..Hα-helixtrans-57.9-44.7173.5-179.3-95.4000111.4I380 F388 M480 M481 R488 T489 V667I380-F484 HydrophobicContact CD1-CZ 4.48Å; I380-F484 HydrophobicContact CG1-CZ 4.14Å; F388-F484 HydrophobicContact CE1-CB 4.42Å; F388-F484 HydrophobicContact CE2-CD1 4.21Å; F388-F484 HydrophobicContact CE2-CD2 4.3Å; F388-F484 HydrophobicContact CE2-CE1 4.36Å; F388-F484 HydrophobicContact CE2-CE2 4.45Å; F388-F484 HydrophobicContact CE2-CG 4.2Å; F388-F484 HydrophobicContact CE2-CZ 4.49Å; F388-F484 HydrophobicContact CZ-CB 3.82Å; F388-F484 AromaticContact CZ-CD1 3.89Å; F388-F484 HydrophobicContact CZ-CD1 3.89Å; F388-F484 AromaticContact CZ-CD2 3.91Å; F388-F484 HydrophobicContact CZ-CD2 3.91Å; F388-F484 HydrophobicContact CZ-CE1 4.48Å; F388-F484 HydrophobicContact CZ-CE2 4.49Å; F388-F484 AromaticContact CZ-CG 3.59Å; F388-F484 HydrophobicContact CZ-CG 3.59Å; M480-F484 PolarHBondContact O-N 2.75Å; M481-F484 PolarHBondContact O-N 3.02Å; F484-R488 HydrophobicContact CD2-CB 3.93Å; F484-R488 HydrophobicContact CD2-CG 3.77Å; F484-R488 HydrophobicContact CE2-CB 3.71Å; F484-R488 HydrophobicContact CE2-CG 3.7Å; F484-R488 HydrophobicContact CG-CB 4.41Å; F484-R488 HydrophobicContact CZ-CB 4.01Å; F484-R488 HydrophobicContact CZ-CG 4.48Å; F484-R488 WeakPolarHBondContact O-CA 3.38Å; F484-R488 WeakPolarHBondContact O-CB 3.23Å; F484-R488 PolarHBondContact O-N 2.96Å; F484-T489 HydrophobicContact CD1-CG2 4.27Å; F484-T489 HydrophobicContact CE1-CG2 4.04Å; F484-T489 PolarHBondContact O-N 3.45Å; F484-V667 HydrophobicContact CB-CG1 3.97Å; F484-V667 WeakPolarHBondContact CD2-O 3.32Å
485I87.3Confident87.7Confident38 Ų3823 Ų2320%0.19512%0.124CC..Hα-helixtrans-62.7-44.4176.7-65.7165.1000111.3M481 Y482 F483 T489 L491 F492M481-I485 HydrophobicContact CE-CD1 4.43Å; M481-I485 HydrophobicContact CG-CD1 4.05Å; M481-I485 VanDerWaalsContact O-CG1 3.25Å; M481-I485 WeakPolarHBondContact O-CG1 3.49Å; M481-I485 PolarHBondContact O-N 2.96Å; Y482-I485 PolarHBondContact O-N 2.93Å; F483-I485 VanDerWaalsContact C-N 3.31Å; F483-I485 PolarHBondContact O-N 2.97Å; I485-T489 PolarHBondContact O-OG1 3.12Å; I485-L491 HydrophobicContact CG2-CB 4.16Å; I485-L491 HydrophobicContact CG2-CD2 3.57Å; I485-L491 HydrophobicContact CG2-CG 4.48Å; I485-F492 HydrophobicContact CG2-CD2 4.19Å; I485-F492 HydrophobicContact CG2-CE2 3.73Å
486C88.4Confident87.4Confident0 Ų020.8 Ų20.80%012%0.116CC..Hα-helixtrans-66.4-40179.9-66.40000114.2Y482 F483 F492 K494 H1347 L1358Y482-C486 WeakPolarHBondContact O-CB 3.38Å; Y482-C486 PolarHBondContact O-N 3.37Å; Y482-C486 PolarHBondContact O-SG 2.83Å; F483-C486 PolarHBondContact O-N 3.41Å; C486-F492 HydrophobicContact CB-CD2 4.49Å; C486-K494 WeakPolarHBondContact O-CE 3.39Å; C486-H1347 WeakPolarHBondContact CB-O 3.42Å; C486-L1358 HydrophobicContact CB-CD1 4.25Å; C486-L1358 HydrophobicContact CB-CD2 3.95Å
487D88.2Confident87Confident2 Ų221.7 Ų21.71%0.01112%0.12CC..Hα-helixtrans-98.6-46.7-169.5-172.26.6000112.7F483 K494 M668 H1347 A1352 D1353F483-D487 WeakPolarHBondContact O-CB 3.32Å; F483-D487 PolarHBondContact O-N 3.49Å; D487-K494 PolarHBondContact O-NZ 3.06Å; D487-M668 HydrophobicContact CB-CE 3.76Å; D487-M668 WeakPolarHBondContact OD2-CE 3.5Å; D487-H1347 HydrophobicContact CB-CB 4.31Å; D487-H1347 IonicContact OD2-CE1 3.42Å; D487-H1347 IonicContact OD2-CG 3.29Å; D487-H1347 IonicContact OD2-ND1 2.69Å; D487-H1347 PolarHBondContact OD2-ND1 3.32Å; D487-A1352 WeakPolarHBondContact OD1-CA 3.43Å; D487-A1352 PolarHBondContact OD1-N 2.89Å; D487-D1353 PolarHBondContact OD1-N 3.28Å
488R84.3Confident86.2Confident24 Ų2425.2 Ų25.29%0.09113%0.133CC..THydrogen-bonded Turntrans-86.1-40.5-177.6-67.2-78.9167.3-118-20.9113.6E378 F484 M668 D1353E378-R488 IonicContact OE1-NH1 3.84Å; E378-R488 WeakPolarHBondContact OE2-CD 3.4Å; E378-R488 IonicContact OE2-CZ 2.86Å; E378-R488 IonicContact OE2-NE 3.73Å; E378-R488 PolarHBondContact OE2-NE 2.82Å; E378-R488 IonicContact OE2-NH1 2.87Å; E378-R488 PolarHBondContact OE2-NH1 2.75Å; F484-R488 HydrophobicContact CD2-CB 3.93Å; F484-R488 HydrophobicContact CD2-CG 3.77Å; F484-R488 HydrophobicContact CE2-CB 3.71Å; F484-R488 HydrophobicContact CE2-CG 3.7Å; F484-R488 HydrophobicContact CG-CB 4.41Å; F484-R488 HydrophobicContact CZ-CB 4.01Å; F484-R488 HydrophobicContact CZ-CG 4.48Å; F484-R488 WeakPolarHBondContact O-CA 3.38Å; F484-R488 WeakPolarHBondContact O-CB 3.23Å; F484-R488 PolarHBondContact O-N 2.96Å; R488-M668 HydrophobicContact CG-CE 3.76Å; R488-M668 PolarHBondContact NE-O 2.85Å; R488-M668 PolarHBondContact NH2-O 2.82Å; R488-D1353 IonicContact CZ-OD1 3.19Å; R488-D1353 IonicContact CZ-OD2 2.75Å; R488-D1353 IonicContact NH1-OD1 3.96Å; R488-D1353 IonicContact NH1-OD2 2.73Å; R488-D1353 PolarHBondContact NH1-OD2 2.87Å; R488-D1353 IonicContact NH2-OD1 2.75Å; R488-D1353 PolarHBondContact NH2-OD1 3.03Å; R488-D1353 IonicContact NH2-OD2 2.81Å; R488-D1353 PolarHBondContact NH2-OD2 2.92Å
489T80Confident85.8Confident23 Ų2325.1 Ų25.114%0.14112%0.123CC..SBendtrans-82.3167.8-177.485.80000112.9F484 I485 L491 K494F484-T489 HydrophobicContact CD1-CG2 4.27Å; F484-T489 HydrophobicContact CE1-CG2 4.04Å; F484-T489 PolarHBondContact O-N 3.45Å; I485-T489 PolarHBondContact O-OG1 3.12Å; T489-L491 WeakPolarHBondContact OG1-CB 3.39Å; T489-L491 PolarHBondContact OG1-N 3.35Å; T489-K494 VanDerWaalsContact O-CE 3.32Å; T489-K494 WeakPolarHBondContact O-CE 3.33Å; T489-K494 PolarHBondContact O-NZ 3.43Å
490I74.2Confident85.3Confident24 Ų2426.3 Ų26.312%0.12313%0.131CC..SBendtrans-97.88.4175.959.4155.6000113.2F48 L55 F492F48-I490 HydrophobicContact CD2-CD1 4.33Å; F48-I490 HydrophobicContact CE1-CD1 4.43Å; F48-I490 HydrophobicContact CE1-CG1 4.18Å; F48-I490 HydrophobicContact CE2-CD1 3.57Å; F48-I490 HydrophobicContact CE2-CG1 4.16Å; F48-I490 HydrophobicContact CZ-CD1 3.63Å; F48-I490 HydrophobicContact CZ-CG1 3.68Å; L55-I490 HydrophobicContact CD1-CB 4.07Å; L55-I490 HydrophobicContact CD1-CD1 3.95Å; L55-I490 HydrophobicContact CD1-CG2 3.68Å; I490-F492 PolarHBondContact O-N 2.62Å
491L76.2Confident85Confident24 Ų2431.2 Ų31.213%0.12616%0.157CC..SBendtrans-58.9-35.1-179-176.268.4000111.9H34 F48 I485 T489H34-L491 HydrophobicContact CB-CD1 4.21Å; H34-L491 HydrophobicContact CB-CG 4.26Å; H34-L491 WeakPolarHBondContact CB-O 3.33Å; F48-L491 HydrophobicContact CE1-CD1 4.15Å; I485-L491 HydrophobicContact CG2-CB 4.16Å; I485-L491 HydrophobicContact CG2-CD2 3.57Å; I485-L491 HydrophobicContact CG2-CG 4.48Å; T489-L491 WeakPolarHBondContact OG1-CB 3.39Å; T489-L491 PolarHBondContact OG1-N 3.35Å
492F80.9Confident84.9Confident3 Ų333.2 Ų33.21%0.01317%0.169CC..SBendtrans-108.8142.4177.3-60.2-58.4000111.3I30 H34 Y482 I485 C486 I490 L1358 L1360I30-F492 HydrophobicContact CG2-CE1 3.98Å; H34-F492 HydrophobicContact CB-CD1 4.31Å; H34-F492 HydrophobicContact CB-CE1 4.27Å; H34-F492 AromaticContact CD2-CD1 3.74Å; H34-F492 AromaticContact CD2-CE1 3.83Å; H34-F492 AromaticContact CG-CD1 3.95Å; Y482-F492 HydrophobicContact CE2-CE2 4.26Å; Y482-F492 HydrophobicContact CE2-CZ 4.46Å; I485-F492 HydrophobicContact CG2-CD2 4.19Å; I485-F492 HydrophobicContact CG2-CE2 3.73Å; C486-F492 HydrophobicContact CB-CD2 4.49Å; I490-F492 PolarHBondContact O-N 2.62Å; F492-L1358 HydrophobicContact CB-CD1 3.69Å; F492-L1358 HydrophobicContact CB-CG 4.47Å; F492-L1358 HydrophobicContact CG-CD1 4.47Å; F492-L1360 HydrophobicContact CD1-CD2 3.69Å; F492-L1360 HydrophobicContact CE1-CD2 3.97Å; F492-L1360 HydrophobicContact CG-CD2 4.01Å; F492-L1360 HydrophobicContact CZ-CD2 4.46Å
493M79.7Confident84.5Confident27 Ų2735.1 Ų35.113%0.13318%0.184CC..EExtended strand (participates in β ladder)trans-66.3144.4179.5-60.416911100110.5S75 V1359 P1362S75-M493 WeakPolarHBondContact O-CA 3.13Å; S75-M493 WeakPolarHBondContact OG-CE 3.45Å; M493-V1359 HydrophobicContact CB-CB 3.83Å; M493-V1359 HydrophobicContact CB-CG1 4.14Å; M493-V1359 WeakPolarHBondContact CB-O 3.39Å; M493-V1359 PolarHBondContact N-O 2.96Å; M493-V1359 PolarHBondContact O-N 3.37Å; M493-V1359 HydrophobicContact SD-CG1 4.38Å; M493-P1362 HydrophobicContact CE-CB 3.89Å; M493-P1362 HydrophobicContact CE-CG 4.14Å; M493-P1362 HydrophobicContact SD-CB 3.82Å; M493-P1362 HydrophobicContact SD-CG 3.82Å
494K85.9Confident84.4Confident14 Ų1435.3 Ų35.36%0.06119%0.185CC..EExtended strand (participates in β ladder)trans-128.6139.9-179-56.3179.8-172.7170.20109.7S75 C76 M77 C486 D487 T489 S1351 I1357S75-K494 CarbonylContact C-O 3.59Å; S75-K494 PolarHBondContact O-N 3.41Å; C76-K494 CarbonylContact C-O 3.45Å; C76-K494 VanDerWaalsContact C-O 3.27Å; C76-K494 WeakPolarHBondContact CA-O 3.25Å; C76-K494 PolarHBondContact N-O 3.09Å; M77-K494 HydrophobicContact CG-CB 4.09Å; M77-K494 HydrophobicContact SD-CB 4.43Å; C486-K494 WeakPolarHBondContact O-CE 3.39Å; D487-K494 PolarHBondContact O-NZ 3.06Å; T489-K494 VanDerWaalsContact O-CE 3.32Å; T489-K494 WeakPolarHBondContact O-CE 3.33Å; T489-K494 PolarHBondContact O-NZ 3.43Å; K494-S1351 WeakPolarHBondContact CG-OG 3.18Å; K494-I1357 WeakPolarHBondContact CA-O 3.36Å
495A84.3Confident84.5Confident34 Ų3439.2 Ų39.228%0.28120%0.202SC..EExtended strand (participates in β ladder)trans-132140.7-177.900000112.3M77 K497 I1357 V1359M77-A495 VanDerWaalsContact SD-C 3.58Å; A495-K497 PolarHBondContact O-N 3.23Å; A495-I1357 PolarHBondContact N-O 3.43Å; A495-I1357 PolarHBondContact O-N 3.26Å; A495-V1359 HydrophobicContact CB-CG2 4.06Å
496N86Confident84.7Confident44 Ų4442.3 Ų42.324%0.23522%0.219CC..EExtended strand (participates in β ladder)trans-59.2133.3173.7-62.988.3000110.7R72 M77 I78R72-N496 PolarHBondContact NH1-O 3.41Å; M77-N496 VanDerWaalsContact CA-OD1 3.25Å; M77-N496 WeakPolarHBondContact CA-OD1 3.49Å; M77-N496 WeakPolarHBondContact CB-OD1 3.41Å; I78-N496 PolarHBondContact N-OD1 3.1Å; I78-N496 PolarHBondContact O-ND2 2.86Å
497K86.4Confident84.9Confident22 Ų2244.1 Ų44.110%0.09623%0.23CC..  trans-57.7163.5172-60.2174.7-171.8-176.10112.1A495 H548 D551 A1354 Y1355 I1357A495-K497 PolarHBondContact O-N 3.23Å; K497-H548 PolarHBondContact NZ-O 2.85Å; K497-D551 HydrophobicContact CB-CB 3.75Å; K497-D551 HydrophobicContact CD-CB 3.75Å; K497-D551 HydrophobicContact CG-CB 4.41Å; K497-D551 IonicContact NZ-OD1 2.75Å; K497-A1354 WeakPolarHBondContact CE-O 3.49Å; K497-A1354 PolarHBondContact NZ-O 3.45Å; K497-Y1355 WeakPolarHBondContact CE-O 3.12Å; K497-Y1355 WeakPolarHBondContact CG-O 3.36Å; K497-I1357 HydrophobicContact CB-CD1 4.4Å; K497-I1357 HydrophobicContact CG-CD1 4.08Å; K497-I1357 HydrophobicContact CG-CG1 3.74Å
498R77.9Confident85Confident77 Ų7744.7 Ų44.729%0.29123%0.234SC..  trans-150.3124.9170.9-160.8176.9-161.6-104-2.9111S68 E70 T550S68-R498 PolarHBondContact OG-NH2 3.21Å; E70-R498 IonicContact OE1-CZ 3.35Å; E70-R498 IonicContact OE1-NE 3.31Å; E70-R498 IonicContact OE1-NH2 2.77Å; E70-R498 PolarHBondContact OE1-NH2 3.21Å; E70-R498 IonicContact OE2-CZ 3.81Å; E70-R498 IonicContact OE2-NE 3.35Å; E70-R498 PolarHBondContact OE2-NE 3.49Å; E70-R498 IonicContact OE2-NH2 3.75Å; E70-R498 PolarHBondContact OE2-NH2 2.95Å; R498-T550 CarbonylContact C-O 3.57Å
499Y85.1Confident85.5Confident43 Ų4348.5 Ų48.517%0.16926%0.255CS..  trans-74.2132.1166.9179.4-99.5000110.6N501 F504 T550 S552 V555 I558Y499-N501 VanDerWaalsContact CE1-OD1 3.24Å; Y499-N501 WeakPolarHBondContact CE1-OD1 3.28Å; Y499-N501 PolarHBondContact OH-OD1 3Å; Y499-F504 HydrophobicContact CE2-CB 3.94Å; Y499-F504 HydrophobicContact CE2-CG 4.43Å; Y499-T550 VanDerWaalsContact CA-O 3.24Å; Y499-T550 WeakPolarHBondContact CA-O 3.37Å; Y499-T550 PolarHBondContact N-O 3.43Å; Y499-S552 WeakPolarHBondContact CD2-OG 3.35Å; Y499-S552 VanDerWaalsContact CE2-OG 3.27Å; Y499-S552 WeakPolarHBondContact CE2-OG 3.44Å; Y499-V555 HydrophobicContact CD1-CG2 3.99Å; Y499-V555 HydrophobicContact CE1-CG2 3.52Å; Y499-V555 HydrophobicContact CE2-CG2 4.22Å; Y499-I558 HydrophobicContact CE2-CD1 3.91Å; Y499-I558 WeakPolarHBondContact OH-CD1 3.44Å
500T85Confident86.1Confident42 Ų4254.2 Ų54.226%0.25828%0.275SS..  trans-140.7150.4154.585.40000108.4L502 S503 F504T500-L502 VanDerWaalsContact C-N 3.26Å; T500-L502 PolarHBondContact O-N 3.33Å; T500-S503 PolarHBondContact O-N 2.96Å; T500-S503 VanDerWaalsContact O-N 3.15Å; T500-S503 WeakPolarHBondContact OG1-CB 3.24Å; T500-S503 PolarHBondContact OG1-N 3.49Å; T500-S503 PolarHBondContact OG1-OG 3.5Å; T500-F504 PolarHBondContact O-N 2.91Å; T500-F504 VanDerWaalsContact O-N 3.16Å
501N88.1Confident87Confident104 Ų10454.1 Ų54.156%0.55628%0.276SS*.Hα-helixtrans-53.8-45177.5-65.7-16.4000111.3Y499 F504 F505Y499-N501 VanDerWaalsContact CE1-OD1 3.24Å; Y499-N501 WeakPolarHBondContact CE1-OD1 3.28Å; Y499-N501 PolarHBondContact OH-OD1 3Å; N501-F504 PolarHBondContact O-N 2.8Å; N501-F505 HydrophobicContact CB-CD2 4.3Å; N501-F505 HydrophobicContact CB-CE2 4.47Å; N501-F505 WeakPolarHBondContact O-CD2 3.37Å; N501-F505 PolarHBondContact O-N 3.42Å
502L87.9Confident87.8Confident123 Ų12357.6 Ų57.664%0.64429%0.29SS*.Hα-helixtrans-63.9-43.5179.5-17266.3000111.9T500 F504 L506T500-L502 VanDerWaalsContact C-N 3.26Å; T500-L502 PolarHBondContact O-N 3.33Å; L502-F504 PolarHBondContact O-N 3.12Å; L502-L506 HydrophobicContact CD1-CB 4.28Å; L502-L506 HydrophobicContact CD1-CD1 4.03Å; L502-L506 HydrophobicContact CG-CD1 4.42Å; L502-L506 VanDerWaalsContact O-CB 3.23Å; L502-L506 WeakPolarHBondContact O-CB 3.47Å; L502-L506 PolarHBondContact O-N 3.46Å
503S84.3Confident88.3Confident54 Ų5460.3 Ų60.338%0.37831%0.307SS..Hα-helixtrans-62.6-26178.4-57.40000113.4T500 P507 T550T500-S503 PolarHBondContact O-N 2.96Å; T500-S503 VanDerWaalsContact O-N 3.15Å; T500-S503 WeakPolarHBondContact OG1-CB 3.24Å; T500-S503 PolarHBondContact OG1-N 3.49Å; T500-S503 PolarHBondContact OG1-OG 3.5Å; S503-P507 VanDerWaalsContact O-CD 3.25Å; S503-P507 WeakPolarHBondContact O-CD 3.44Å; S503-P507 WeakPolarHBondContact O-CG 3.33Å; S503-T550 WeakPolarHBondContact O-CG2 3.41Å
504F91.1Very high88.8Confident3 Ų361 Ų611%0.01331%0.311CS..Hα-helixtrans-90.2-50.9176.9-179.4-104.5000112.9Y499 T500 N501 L502 T508 Y543 I546 S552 I558Y499-F504 HydrophobicContact CE2-CB 3.94Å; Y499-F504 HydrophobicContact CE2-CG 4.43Å; T500-F504 PolarHBondContact O-N 2.91Å; T500-F504 VanDerWaalsContact O-N 3.16Å; N501-F504 PolarHBondContact O-N 2.8Å; L502-F504 PolarHBondContact O-N 3.12Å; F504-T508 WeakPolarHBondContact O-CB 3.37Å; F504-T508 PolarHBondContact O-N 3.38Å; F504-T508 PolarHBondContact O-OG1 3.01Å; F504-Y543 HydrophobicContact CE1-CE2 4.42Å; F504-Y543 AromaticContact CZ-CE2 3.69Å; F504-Y543 HydrophobicContact CZ-CE2 3.69Å; F504-Y543 AromaticContact CZ-CZ 3.78Å; F504-I546 HydrophobicContact CD2-CG2 3.81Å; F504-I546 HydrophobicContact CE2-CG2 4.06Å; F504-S552 WeakPolarHBondContact CD2-OG 3.38Å; F504-I558 HydrophobicContact CD1-CD1 3.75Å; F504-I558 HydrophobicContact CE1-CD1 3.88Å; F504-I558 HydrophobicContact CE1-CG1 4.18Å; F504-I558 HydrophobicContact CE1-CG2 3.86Å; F504-I558 HydrophobicContact CE2-CG2 3.96Å; F504-I558 HydrophobicContact CG-CD1 4.34Å; F504-I558 HydrophobicContact CZ-CG2 3.52Å
505F93.6Very high88.9Confident99 Ų9960.4 Ų60.443%0.43431%0.309SS..Hα-helixtrans-74.6-36.8-173.1-69.9-64.3000113.2N501 T508 I509 I558N501-F505 HydrophobicContact CB-CD2 4.3Å; N501-F505 HydrophobicContact CB-CE2 4.47Å; N501-F505 WeakPolarHBondContact O-CD2 3.37Å; N501-F505 PolarHBondContact O-N 3.42Å; F505-T508 PolarHBondContact O-N 3.39Å; F505-I509 HydrophobicContact CB-CD1 4.41Å; F505-I509 WeakPolarHBondContact O-CB 3.39Å; F505-I509 VanDerWaalsContact O-CG1 3.26Å; F505-I509 WeakPolarHBondContact O-CG1 3.17Å; F505-I509 PolarHBondContact O-N 3.41Å; F505-I558 HydrophobicContact CZ-CD1 4.4Å
506L91.8Very high89Confident103 Ų10363.7 Ų63.754%0.53932%0.321SS..Hα-helixtrans-63.3-50.3-177.2-171.4166.6000112.2L502 T508 I509 Y510L502-L506 HydrophobicContact CD1-CB 4.28Å; L502-L506 HydrophobicContact CD1-CD1 4.03Å; L502-L506 HydrophobicContact CG-CD1 4.42Å; L502-L506 VanDerWaalsContact O-CB 3.23Å; L502-L506 WeakPolarHBondContact O-CB 3.47Å; L502-L506 PolarHBondContact O-N 3.46Å; L506-T508 VanDerWaalsContact C-N 3.3Å; L506-T508 PolarHBondContact O-N 3Å; L506-I509 PolarHBondContact O-N 2.87Å; L506-Y510 WeakPolarHBondContact O-CB 3.26Å; L506-Y510 PolarHBondContact O-N 2.92Å
507P91Very high89.1Confident38 Ų3869.5 Ų69.525%0.24734%0.344CS..Hα-helixtrans-62.7-35.7174.7-23.536.1000113S503 Y510 C511 I546S503-P507 VanDerWaalsContact O-CD 3.25Å; S503-P507 WeakPolarHBondContact O-CD 3.44Å; S503-P507 WeakPolarHBondContact O-CG 3.33Å; P507-Y510 PolarHBondContact O-N 2.96Å; P507-C511 WeakPolarHBondContact O-CB 3.39Å; P507-C511 PolarHBondContact O-N 3.24Å; P507-C511 PolarHBondContact O-SG 3.37Å; P507-I546 HydrophobicContact CB-CD1 3.96Å; P507-I546 HydrophobicContact CB-CG1 4.29Å; P507-I546 HydrophobicContact CB-CG2 4.4Å
508T92.3Very high89.2Confident14 Ų1474 Ų749%0.08636%0.364CS..Hα-helixtrans-64.4-45.9179.2-57.90000111.2F504 F505 L506 F512 W539 Y543F504-T508 WeakPolarHBondContact O-CB 3.37Å; F504-T508 PolarHBondContact O-N 3.38Å; F504-T508 PolarHBondContact O-OG1 3.01Å; F505-T508 PolarHBondContact O-N 3.39Å; L506-T508 VanDerWaalsContact C-N 3.3Å; L506-T508 PolarHBondContact O-N 3Å; T508-F512 WeakPolarHBondContact O-CB 3.35Å; T508-F512 PolarHBondContact O-N 3.04Å; T508-W539 HydrophobicContact CG2-CH2 3.79Å; T508-W539 HydrophobicContact CG2-CZ2 4.27Å; T508-Y543 HydrophobicContact CG2-CD2 4.24Å; T508-Y543 HydrophobicContact CG2-CE2 4.47Å
509I94.5Very high89.6Confident104 Ų10473.1 Ų73.153%0.53337%0.37SS..Hα-helixtrans-65.9-45.7176.4-67.7165.4000110.6F505 L506 C511 F512 V513F505-I509 HydrophobicContact CB-CD1 4.41Å; F505-I509 WeakPolarHBondContact O-CB 3.39Å; F505-I509 VanDerWaalsContact O-CG1 3.26Å; F505-I509 WeakPolarHBondContact O-CG1 3.17Å; F505-I509 PolarHBondContact O-N 3.41Å; L506-I509 PolarHBondContact O-N 2.87Å; I509-C511 PolarHBondContact O-N 3.47Å; I509-F512 WeakPolarHBondContact O-CB 3.23Å; I509-F512 PolarHBondContact O-N 3.22Å; I509-V513 HydrophobicContact CG2-CG2 4.42Å; I509-V513 WeakPolarHBondContact O-CG2 3.32Å; I509-V513 PolarHBondContact O-N 3.45Å
510Y92.5Very high89.5Confident143 Ų14371.4 Ų71.456%0.56137%0.365SS*.Hα-helixtrans-57.7-47.9179.4176.3-107.1000112.1L506 P507 F512 V513 L514L506-Y510 WeakPolarHBondContact O-CB 3.26Å; L506-Y510 PolarHBondContact O-N 2.92Å; P507-Y510 PolarHBondContact O-N 2.96Å; Y510-F512 PolarHBondContact O-N 2.94Å; Y510-V513 PolarHBondContact O-N 3.46Å; Y510-L514 HydrophobicContact CD1-CD1 4Å; Y510-L514 HydrophobicContact CE1-CD1 3.45Å; Y510-L514 VanDerWaalsContact CE1-CD1 3.45Å; Y510-L514 HydrophobicContact CE1-CG 4.19Å; Y510-L514 HydrophobicContact CE2-CG 4.45Å; Y510-L514 WeakPolarHBondContact O-CG 3.17Å; Y510-L514 PolarHBondContact O-N 2.99Å
511C92.4Very high89.5Confident21 Ų2174.9 Ų74.914%0.14239%0.389CS..Hα-helixtrans-70.7-30.2178.7-66.30000113.1P507 I509 G515 L542 F1331P507-C511 WeakPolarHBondContact O-CB 3.39Å; P507-C511 PolarHBondContact O-N 3.24Å; P507-C511 PolarHBondContact O-SG 3.37Å; I509-C511 PolarHBondContact O-N 3.47Å; C511-G515 PolarHBondContact O-N 2.97Å; C511-L542 HydrophobicContact CB-CD1 3.72Å; C511-L542 HydrophobicContact CB-CD2 3.3Å; C511-L542 HydrophobicContact CB-CG 4.13Å; C511-F1331 WeakPolarHBondContact O-CE1 3.48Å; C511-F1331 VanDerWaalsContact O-CZ 3.32Å; C511-F1331 WeakPolarHBondContact O-CZ 3.49Å
512F92.1Very high89.1Confident98 Ų9870.9 Ų70.943%0.4337%0.368SS..Hα-helixtrans-62.1-47.8169.9-172.4-107000111.4T508 I509 Y510 G515 L516 W539T508-F512 WeakPolarHBondContact O-CB 3.35Å; T508-F512 PolarHBondContact O-N 3.04Å; I509-F512 WeakPolarHBondContact O-CB 3.23Å; I509-F512 PolarHBondContact O-N 3.22Å; Y510-F512 PolarHBondContact O-N 2.94Å; F512-G515 PolarHBondContact O-N 2.94Å; F512-G515 VanDerWaalsContact O-N 3.16Å; F512-L516 HydrophobicContact CD1-CD1 4.05Å; F512-L516 HydrophobicContact CE1-CD1 3.71Å; F512-L516 HydrophobicContact CE1-CG 4.32Å; F512-L516 HydrophobicContact CZ-CD1 4.35Å; F512-L516 PolarHBondContact O-N 3.32Å; F512-L516 VanDerWaalsContact O-N 3.08Å; F512-W539 HydrophobicContact CB-CH2 3.76Å; F512-W539 HydrophobicContact CB-CZ3 3.89Å; F512-W539 HydrophobicContact CD2-CE3 4.45Å; F512-W539 AromaticContact CD2-CH2 3.87Å; F512-W539 HydrophobicContact CD2-CH2 3.87Å; F512-W539 HydrophobicContact CD2-CZ2 4.03Å; F512-W539 HydrophobicContact CD2-CZ3 4.09Å; F512-W539 HydrophobicContact CG-CH2 4.25Å
513V93.3Very high88.3Confident60 Ų6075.3 Ų75.336%0.36438%0.382SS..Hα-helixtrans-62.4-43.2177.7169.90000111.7I509 Y510 G515 L516 F517I509-V513 HydrophobicContact CG2-CG2 4.42Å; I509-V513 WeakPolarHBondContact O-CG2 3.32Å; I509-V513 PolarHBondContact O-N 3.45Å; Y510-V513 PolarHBondContact O-N 3.46Å; V513-G515 VanDerWaalsContact C-N 3.33Å; V513-G515 PolarHBondContact O-N 3.11Å; V513-L516 PolarHBondContact O-N 3.39Å; V513-F517 HydrophobicContact CG1-CD2 3.73Å; V513-F517 HydrophobicContact CG1-CE2 3.54Å; V513-F517 VanDerWaalsContact O-CD2 3.29Å; V513-F517 WeakPolarHBondContact O-CD2 3.19Å; V513-F517 PolarHBondContact O-N 3.39Å
514L88.5Confident87.7Confident42 Ų4276.6 Ų76.622%0.2238%0.378CS..Hα-helixtrans-56.8-45.6171.7-74.3177.3000112Y510 L516 F517 F518 F1330Y510-L514 HydrophobicContact CD1-CD1 4Å; Y510-L514 HydrophobicContact CE1-CD1 3.45Å; Y510-L514 VanDerWaalsContact CE1-CD1 3.45Å; Y510-L514 HydrophobicContact CE1-CG 4.19Å; Y510-L514 HydrophobicContact CE2-CG 4.45Å; Y510-L514 WeakPolarHBondContact O-CG 3.17Å; Y510-L514 PolarHBondContact O-N 2.99Å; L514-L516 VanDerWaalsContact C-N 3.29Å; L514-L516 PolarHBondContact O-N 3.39Å; L514-F517 PolarHBondContact O-N 3.24Å; L514-F518 HydrophobicContact CD2-CE2 4.26Å; L514-F518 VanDerWaalsContact O-CD2 3.3Å; L514-F518 WeakPolarHBondContact O-CD2 3.39Å; L514-F518 PolarHBondContact O-N 3.43Å; L514-F518 VanDerWaalsContact O-N 3.08Å; L514-F1330 HydrophobicContact CB-CD1 4.48Å; L514-F1330 HydrophobicContact CB-CE1 4.27Å
515G88Confident86.6Confident1 Ų178.1 Ų78.11%0.0139%0.39CS..Hα-helixtrans-58.4-39.3177.800000113.5C511 F512 V513 S1328C511-G515 PolarHBondContact O-N 2.97Å; F512-G515 PolarHBondContact O-N 2.94Å; F512-G515 VanDerWaalsContact O-N 3.16Å; V513-G515 VanDerWaalsContact C-N 3.33Å; V513-G515 PolarHBondContact O-N 3.11Å; G515-S1328 WeakPolarHBondContact CA-OG 3.49Å; G515-S1328 WeakPolarHBondContact O-CB 3.27Å; G515-S1328 PolarHBondContact O-OG 3.3Å
516L88Confident85.5Confident102 Ų10275.9 Ų75.953%0.53438%0.38SS..Hα-helixtrans-67.2-45.3175.3-66.3175.7000112.1F512 V513 L514 F518 S519F512-L516 HydrophobicContact CD1-CD1 4.05Å; F512-L516 HydrophobicContact CE1-CD1 3.71Å; F512-L516 HydrophobicContact CE1-CG 4.32Å; F512-L516 HydrophobicContact CZ-CD1 4.35Å; F512-L516 PolarHBondContact O-N 3.32Å; F512-L516 VanDerWaalsContact O-N 3.08Å; V513-L516 PolarHBondContact O-N 3.39Å; L514-L516 VanDerWaalsContact C-N 3.29Å; L514-L516 PolarHBondContact O-N 3.39Å; L516-F518 VanDerWaalsContact C-N 3.31Å; L516-F518 PolarHBondContact O-N 2.83Å; L516-S519 WeakPolarHBondContact O-CB 3.49Å; L516-S519 PolarHBondContact O-N 3.39Å; L516-S519 PolarHBondContact O-OG 3.37Å
517F88.1Confident84.8Confident166 Ų16672.9 Ų72.973%0.72837%0.367SS*.Hα-helixtrans-61.7-35.8178.5-84.1-65.3000113.2V513 L514 S519V513-F517 HydrophobicContact CG1-CD2 3.73Å; V513-F517 HydrophobicContact CG1-CE2 3.54Å; V513-F517 VanDerWaalsContact O-CD2 3.29Å; V513-F517 WeakPolarHBondContact O-CD2 3.19Å; V513-F517 PolarHBondContact O-N 3.39Å; L514-F517 PolarHBondContact O-N 3.24Å; F517-S519 VanDerWaalsContact C-N 3.28Å; F517-S519 PolarHBondContact O-N 3.2Å
518F87.8Confident84.2Confident118 Ų11871.4 Ų71.452%0.51836%0.356SS..THydrogen-bonded Turntrans-91.843.7178.1-66.7-68000113.3L514 L516 I1329 F1330L514-F518 HydrophobicContact CD2-CE2 4.26Å; L514-F518 VanDerWaalsContact O-CD2 3.3Å; L514-F518 WeakPolarHBondContact O-CD2 3.39Å; L514-F518 PolarHBondContact O-N 3.43Å; L514-F518 VanDerWaalsContact O-N 3.08Å; L516-F518 VanDerWaalsContact C-N 3.31Å; L516-F518 PolarHBondContact O-N 2.83Å; F518-I1329 PolarHBondContact O-N 3.41Å; F518-F1330 HydrophobicContact CB-CB 3.71Å; F518-F1330 HydrophobicContact CD2-CB 4.29Å; F518-F1330 HydrophobicContact CG-CB 4.31Å
519S86Confident83.7Confident57 Ų5771.3 Ų71.340%0.39936%0.355SS..EExtended strand (participates in β ladder)trans-83.6143.4173.3-63.40000112.5L516 F517 Y1327L516-S519 WeakPolarHBondContact O-CB 3.49Å; L516-S519 PolarHBondContact O-N 3.39Å; L516-S519 PolarHBondContact O-OG 3.37Å; F517-S519 VanDerWaalsContact C-N 3.28Å; F517-S519 PolarHBondContact O-N 3.2Å; S519-Y1327 CarbonylContact C-O 3.56Å; S519-Y1327 WeakPolarHBondContact CA-O 3.43Å
520G83.5Confident83.1Confident7 Ų770.2 Ų70.27%0.07235%0.35CS..EExtended strand (participates in β ladder)trans-143162.3177.200000113.6I1326 Y1327G520-I1326 WeakPolarHBondContact O-CA 3.17Å; G520-Y1327 PolarHBondContact N-O 3.44Å; G520-Y1327 WeakPolarHBondContact O-CD1 3.44Å; G520-Y1327 PolarHBondContact O-N 3.03Å
521P84.9Confident82.8Confident116 Ų11664.3 Ų64.375%0.75333%0.328SS*.EExtended strand (participates in β ladder)trans-78.9149.2-18032.7-35.1000112.4R1325P521-R1325 CarbonylContact C-O 3.51Å; P521-R1325 WeakPolarHBondContact CA-O 3.33Å
522T80.3Confident82.6Confident20 Ų2063.4 Ų63.412%0.12332%0.322CS..  trans-122.6145.3171.6173.20000111.3R524 H529 R1324 R1325 Y1327T522-R524 VanDerWaalsContact C-N 3.35Å; T522-R524 PolarHBondContact OG1-N 3.45Å; T522-H529 PolarHBondContact OG1-NE2 3.34Å; T522-R1324 WeakPolarHBondContact CG2-O 3.43Å; T522-R1325 PolarHBondContact N-O 2.91Å; T522-Y1327 HydrophobicContact CG2-CD1 4.14Å
523K71.2Confident82.6Confident216 Ų21659.4 Ų59.494%0.93931%0.305SS*.SBendtrans-80.8-11.9176.4-63.9-173178.2-174.70113.4
524R71.4Confident82.5Confident80 Ų8060 Ų6030%0.30230%0.301SS..  trans-95.5110.9-169.8-66.9172.5175.3157.9-7.3111T522 H529 D531 E802T522-R524 VanDerWaalsContact C-N 3.35Å; T522-R524 PolarHBondContact OG1-N 3.45Å; R524-H529 HydrophobicContact CB-CB 4.31Å; R524-H529 PolarHBondContact O-CE1 2.77Å; R524-H529 PolarHBondContact O-ND1 2.8Å; R524-H529 VanDerWaalsContact O-ND1 3.13Å; R524-D531 IonicContact CZ-OD2 3.41Å; R524-D531 IonicContact NH1-OD1 3.43Å; R524-D531 IonicContact NH1-OD2 2.68Å; R524-D531 PolarHBondContact NH1-OD2 3.47Å; R524-E802 IonicContact CZ-OE2 3.78Å; R524-E802 IonicContact NE-OE2 3.99Å; R524-E802 PolarHBondContact NE-OE2 3.41Å; R524-E802 IonicContact NH2-OE2 2.84Å; R524-E802 PolarHBondContact NH2-OE2 3.03Å
525S68.2Low82.7Confident36 Ų3658.7 Ų58.725%0.25229%0.294SS..  trans-85.5-10.4-178.560.50000115.2I1112 R1324S525-I1112 WeakPolarHBondContact CB-O 3.43Å; S525-I1112 PolarHBondContact OG-O 2.97Å; S525-R1324 PolarHBondContact O-NH1 3.47Å
526Q71Confident82.9Confident51 Ų5159.4 Ų59.424%0.23830%0.296CS..SBendtrans-56.5140.6-179.9-70.5-176.123.200112.2N528 H529 R583Q526-N528 PolarHBondContact O-N 2.83Å; Q526-H529 HydrophobicContact CB-CB 4.35Å; Q526-H529 PolarHBondContact O-N 3.15Å; Q526-H529 PolarHBondContact O-ND1 3.3Å; Q526-H529 VanDerWaalsContact O-ND1 3.16Å; Q526-R583 VanDerWaalsContact OE1-NH2 3.12Å
527V75.4Confident83.2Confident41 Ų4156.8 Ų56.825%0.24828%0.28CS..THydrogen-bonded Turntrans-59.9127.2175.5171.60000110.2H529 L1109 N1318V527-H529 PolarHBondContact O-N 3.47Å; V527-L1109 HydrophobicContact CB-CD2 4.13Å; V527-L1109 HydrophobicContact CG2-CD2 3.78Å; V527-L1109 HydrophobicContact CG2-CG 4.48Å; V527-N1318 HydrophobicContact CG1-CB 4.27Å
528N78.3Confident83.4Confident6 Ų648.9 Ų48.93%0.03225%0.246CC..THydrogen-bonded Turntrans48.448.7-178.3-160.656000114.5Q526 T533 F575 N1318Q526-N528 PolarHBondContact O-N 2.83Å; N528-T533 PolarHBondContact ND2-OG1 3.11Å; N528-T533 PolarHBondContact O-OG1 2.85Å; N528-F575 HydrophobicContact CB-CE1 4.34Å; N528-F575 HydrophobicContact CB-CZ 4.14Å; N528-F575 WeakPolarHBondContact ND2-CE1 3.32Å; N528-N1318 PolarHBondContact N-OD1 2.79Å
529H81.6Confident83.7Confident13 Ų1346.2 Ų46.26%0.0623%0.232CC..  trans-64.8173.1174.466.3-95.3000112.9T522 R524 Q526 V527 D531 I532 T533 R1324T522-H529 PolarHBondContact OG1-NE2 3.34Å; R524-H529 HydrophobicContact CB-CB 4.31Å; R524-H529 PolarHBondContact O-CE1 2.77Å; R524-H529 PolarHBondContact O-ND1 2.8Å; R524-H529 VanDerWaalsContact O-ND1 3.13Å; Q526-H529 HydrophobicContact CB-CB 4.35Å; Q526-H529 PolarHBondContact O-N 3.15Å; Q526-H529 PolarHBondContact O-ND1 3.3Å; Q526-H529 VanDerWaalsContact O-ND1 3.16Å; V527-H529 PolarHBondContact O-N 3.47Å; H529-D531 VanDerWaalsContact C-N 3.29Å; H529-D531 PolarHBondContact CD2-N 2.84Å; H529-D531 IonicContact CD2-OD2 2.78Å; H529-D531 PolarHBondContact CD2-OD2 3.37Å; H529-D531 IonicContact NE2-OD2 2.72Å; H529-D531 PolarHBondContact O-N 3.01Å; H529-I532 VanDerWaalsContact CE1-CD1 3.44Å; H529-I532 WeakPolarHBondContact CE1-CD1 3.22Å; H529-I532 PolarHBondContact O-N 2.95Å; H529-T533 WeakPolarHBondContact O-CB 3.44Å; H529-T533 PolarHBondContact O-N 3.19Å; H529-T533 PolarHBondContact O-OG1 3.13Å; H529-R1324 PolarHBondContact CE1-O 2.91Å
530L82.1Confident84.1Confident81 Ų8143.7 Ų43.742%0.42421%0.214SC..Hα-helixtrans-55.7-39.2-169.1-177.858.8000113.8T533 R534L530-T533 CarbonylContact O-C 3.55Å; L530-T533 WeakPolarHBondContact O-CB 3.41Å; L530-T533 PolarHBondContact O-N 2.9Å; L530-R534 HydrophobicContact CD1-CG 4.45Å; L530-R534 WeakPolarHBondContact O-CG 3.43Å; L530-R534 PolarHBondContact O-N 3.32Å
531D87.2Confident84.7Confident19 Ų1943.4 Ų43.410%0.10221%0.211CC..Hα-helixtrans-77-37.1-171.1-48.4-65.7000111.9R524 H529 T533 R534 E535 Y1327R524-D531 IonicContact CZ-OD2 3.41Å; R524-D531 IonicContact NH1-OD1 3.43Å; R524-D531 IonicContact NH1-OD2 2.68Å; R524-D531 PolarHBondContact NH1-OD2 3.47Å; H529-D531 VanDerWaalsContact C-N 3.29Å; H529-D531 PolarHBondContact CD2-N 2.84Å; H529-D531 IonicContact CD2-OD2 2.78Å; H529-D531 PolarHBondContact CD2-OD2 3.37Å; H529-D531 IonicContact NE2-OD2 2.72Å; H529-D531 PolarHBondContact O-N 3.01Å; D531-T533 VanDerWaalsContact C-N 3.35Å; D531-R534 PolarHBondContact O-N 2.88Å; D531-E535 PolarHBondContact O-N 3.18Å; D531-Y1327 HydrophobicContact CB-CD2 4.09Å; D531-Y1327 HydrophobicContact CB-CE2 4.17Å; D531-Y1327 HydrophobicContact CB-CG 4.32Å
532I88.6Confident85.1Confident1 Ų138.7 Ų38.71%0.00518%0.18CC..Hα-helixtrans-65-38165.1-66.9174.4000111.1H529 R534 E535 W536 R1317H529-I532 VanDerWaalsContact CE1-CD1 3.44Å; H529-I532 WeakPolarHBondContact CE1-CD1 3.22Å; H529-I532 PolarHBondContact O-N 2.95Å; I532-R534 VanDerWaalsContact C-N 3.34Å; I532-R534 PolarHBondContact O-N 3.15Å; I532-E535 WeakPolarHBondContact O-CB 3.33Å; I532-E535 PolarHBondContact O-N 3.21Å; I532-W536 WeakPolarHBondContact O-CB 3.39Å; I532-W536 PolarHBondContact O-N 3.11Å; I532-R1317 HydrophobicContact CG2-CG 4.26Å
533T91Very high85.8Confident15 Ų1539 Ų399%0.09218%0.179CC..Hα-helixtrans-65.5-37.8177-60.30000111.5N528 H529 L530 D531 K537 L572N528-T533 PolarHBondContact ND2-OG1 3.11Å; N528-T533 PolarHBondContact O-OG1 2.85Å; H529-T533 WeakPolarHBondContact O-CB 3.44Å; H529-T533 PolarHBondContact O-N 3.19Å; H529-T533 PolarHBondContact O-OG1 3.13Å; L530-T533 CarbonylContact O-C 3.55Å; L530-T533 WeakPolarHBondContact O-CB 3.41Å; L530-T533 PolarHBondContact O-N 2.9Å; D531-T533 VanDerWaalsContact C-N 3.35Å; T533-K537 WeakPolarHBondContact O-CG 3.48Å; T533-K537 PolarHBondContact O-N 2.78Å; T533-K537 VanDerWaalsContact O-N 3.09Å; T533-L572 HydrophobicContact CG2-CD2 3.74Å; T533-L572 HydrophobicContact CG2-CG 4.08Å
534R90.9Very high86.9Confident71 Ų7128.9 Ų28.927%0.26814%0.135SC..Hα-helixtrans-68.4-46.2172.5-79.7179.6166136.4-4.6111.6L530 D531 I532 W536 K537 G538 A1332 G1335 D1336L530-R534 HydrophobicContact CD1-CG 4.45Å; L530-R534 WeakPolarHBondContact O-CG 3.43Å; L530-R534 PolarHBondContact O-N 3.32Å; D531-R534 PolarHBondContact O-N 2.88Å; I532-R534 VanDerWaalsContact C-N 3.34Å; I532-R534 PolarHBondContact O-N 3.15Å; R534-W536 VanDerWaalsContact C-N 3.32Å; R534-W536 PolarHBondContact O-N 3.07Å; R534-K537 PolarHBondContact O-N 2.74Å; R534-G538 PolarHBondContact O-N 3.25Å; R534-A1332 HydrophobicContact CB-CB 3.93Å; R534-G1335 WeakPolarHBondContact O-CA 3.45Å; R534-D1336 IonicContact CZ-OD1 3.65Å; R534-D1336 IonicContact NE-OD1 2.7Å; R534-D1336 PolarHBondContact NE-OD1 3.15Å; R534-D1336 IonicContact NH2-OD1 2.97Å; R534-D1336 PolarHBondContact NH2-OD1 3.21Å; R534-D1336 IonicContact NH2-OD2 2.77Å
535E92.6Very high87.9Confident15 Ų1525.6 Ų25.67%0.0712%0.123CC..Hα-helixtrans-50.9-52.2172.5168.2-169.9110.700111D531 I532 K537 G538 W539 R1317 Y1327 S1328 F1331D531-E535 PolarHBondContact O-N 3.18Å; I532-E535 WeakPolarHBondContact O-CB 3.33Å; I532-E535 PolarHBondContact O-N 3.21Å; E535-K537 PolarHBondContact O-N 3.37Å; E535-G538 PolarHBondContact O-N 2.75Å; E535-G538 VanDerWaalsContact O-N 3.12Å; E535-W539 PolarHBondContact O-N 2.71Å; E535-R1317 IonicContact OE1-CZ 3.81Å; E535-R1317 VanDerWaalsContact OE1-CZ 3.23Å; E535-R1317 IonicContact OE1-NE 3.18Å; E535-R1317 PolarHBondContact OE1-NE 3.21Å; E535-R1317 IonicContact OE1-NH2 3.8Å; E535-R1317 PolarHBondContact OE1-NH2 3.31Å; E535-R1317 IonicContact OE2-CZ 2.88Å; E535-R1317 IonicContact OE2-NH2 3.84Å; E535-R1317 PolarHBondContact OE2-NH2 3.44Å; E535-Y1327 WeakPolarHBondContact OE2-CA 3.39Å; E535-S1328 PolarHBondContact OE2-N 2.87Å; E535-F1331 HydrophobicContact CB-CB 4.44Å; E535-F1331 HydrophobicContact CG-CB 4.16Å; E535-F1331 HydrophobicContact CG-CD2 4.28Å; E535-F1331 WeakPolarHBondContact O-CB 3.11Å
536W92.6Very high89.1Confident16 Ų1624.4 Ų24.46%0.06111%0.114CC..Hα-helixtrans-64.1-43.3-176.9-167.38.9000111.3I532 R534 G538 W539 M540 L572 I1310 Y1313 I1314I532-W536 WeakPolarHBondContact O-CB 3.39Å; I532-W536 PolarHBondContact O-N 3.11Å; R534-W536 VanDerWaalsContact C-N 3.32Å; R534-W536 PolarHBondContact O-N 3.07Å; W536-G538 VanDerWaalsContact C-N 3.32Å; W536-G538 PolarHBondContact O-N 2.77Å; W536-W539 PolarHBondContact O-N 3.41Å; W536-M540 HydrophobicContact CB-CE 4.45Å; W536-M540 VanDerWaalsContact CD1-CE 3.45Å; W536-M540 HydrophobicContact CD2-CE 3.59Å; W536-M540 VanDerWaalsContact CE2-CE 3.41Å; W536-M540 HydrophobicContact CE3-CE 4.4Å; W536-M540 HydrophobicContact CG-CE 3.59Å; W536-M540 HydrophobicContact CZ2-CE 4.06Å; W536-M540 VanDerWaalsContact NE1-CE 3.33Å; W536-M540 VanDerWaalsContact O-CG 3.24Å; W536-M540 WeakPolarHBondContact O-CG 3.07Å; W536-M540 PolarHBondContact O-N 2.99Å; W536-L572 HydrophobicContact CB-CD2 4.36Å; W536-L572 HydrophobicContact CD2-CD1 4.13Å; W536-L572 HydrophobicContact CD2-CD2 4.26Å; W536-L572 HydrophobicContact CE3-CD1 3.46Å; W536-L572 VanDerWaalsContact CE3-CD1 3.46Å; W536-L572 HydrophobicContact CE3-CD2 4.01Å; W536-L572 HydrophobicContact CE3-CG 4.3Å; W536-L572 HydrophobicContact CG-CD2 4.46Å; W536-L572 HydrophobicContact CH2-CD1 3.87Å; W536-L572 HydrophobicContact CZ2-CD1 4.48Å; W536-L572 HydrophobicContact CZ3-CD1 3.33Å; W536-I1310 HydrophobicContact CH2-CG2 4.06Å; W536-Y1313 AromaticContact CD2-CD1 3.81Å; W536-Y1313 HydrophobicContact CD2-CD1 3.81Å; W536-Y1313 AromaticContact CD2-CE1 3.4Å; W536-Y1313 HydrophobicContact CD2-CE1 3.4Å; W536-Y1313 VanDerWaalsContact CD2-CE1 3.4Å; W536-Y1313 AromaticContact CE2-CD1 3.48Å; W536-Y1313 VanDerWaalsContact CE2-CD1 3.48Å; W536-Y1313 AromaticContact CE2-CE1 3.47Å; W536-Y1313 VanDerWaalsContact CE2-CE1 3.47Å; W536-Y1313 AromaticContact CE3-CD1 3.94Å; W536-Y1313 HydrophobicContact CE3-CD1 3.94Å; W536-Y1313 AromaticContact CE3-CE1 3.7Å; W536-Y1313 HydrophobicContact CE3-CE1 3.7Å; W536-Y1313 AromaticContact CG-CE1 3.82Å; W536-Y1313 HydrophobicContact CG-CE1 3.82Å; W536-Y1313 AromaticContact CH2-CD1 3.56Å; W536-Y1313 HydrophobicContact CH2-CD1 3.56Å; W536-Y1313 HydrophobicContact CH2-CE1 4.18Å; W536-Y1313 HydrophobicContact CH2-CG 4.49Å; W536-Y1313 AromaticContact CZ2-CD1 3.39Å; W536-Y1313 HydrophobicContact CZ2-CD1 3.39Å; W536-Y1313 AromaticContact CZ2-CE1 3.91Å; W536-Y1313 HydrophobicContact CZ2-CE1 3.91Å; W536-Y1313 HydrophobicContact CZ2-CG 4.12Å; W536-Y1313 AromaticContact CZ3-CD1 3.81Å; W536-Y1313 HydrophobicContact CZ3-CD1 3.81Å; W536-Y1313 HydrophobicContact CZ3-CE1 4.06Å; W536-Y1313 AromaticContact NE1-CE1 3.81Å; W536-I1314 HydrophobicContact CH2-CD1 3.97Å; W536-I1314 HydrophobicContact CH2-CG1 3.72Å; W536-I1314 HydrophobicContact CZ3-CD1 3.86Å; W536-I1314 HydrophobicContact CZ3-CG1 3.51Å
537K93.7Very high90.2Very high47 Ų4722.7 Ų22.720%0.20411%0.105CC..Hα-helixtrans-58.7-39.4171.9-77.5-178.4176.9-174.30112.9T533 R534 E535 M540 Q541 Y569 L572T533-K537 WeakPolarHBondContact O-CG 3.48Å; T533-K537 PolarHBondContact O-N 2.78Å; T533-K537 VanDerWaalsContact O-N 3.09Å; R534-K537 PolarHBondContact O-N 2.74Å; E535-K537 PolarHBondContact O-N 3.37Å; K537-M540 PolarHBondContact O-N 3.42Å; K537-Q541 WeakPolarHBondContact O-CB 3.34Å; K537-Q541 PolarHBondContact O-N 2.89Å; K537-Y569 HydrophobicContact CD-CD2 4.46Å; K537-Y569 HydrophobicContact CD-CE2 3.95Å; K537-Y569 HydrophobicContact CG-CD2 4.09Å; K537-Y569 HydrophobicContact CG-CE2 4.02Å; K537-L572 HydrophobicContact CG-CD2 3.85Å
538G94Very high91Very high0 Ų022.3 Ų22.30%010%0.101CC..Hα-helixtrans-64.6-43.6177.700000113.1R534 E535 W536 Q541 L542 F1331R534-G538 PolarHBondContact O-N 3.25Å; E535-G538 PolarHBondContact O-N 2.75Å; E535-G538 VanDerWaalsContact O-N 3.12Å; W536-G538 VanDerWaalsContact C-N 3.32Å; W536-G538 PolarHBondContact O-N 2.77Å; G538-Q541 PolarHBondContact O-N 3.49Å; G538-L542 WeakPolarHBondContact O-CB 3.41Å; G538-L542 PolarHBondContact O-N 3.31Å; G538-F1331 VanDerWaalsContact CA-O 3.32Å; G538-F1331 WeakPolarHBondContact CA-O 3.38Å
539W93.5Very high91.6Very high62 Ų6224 Ų2424%0.23511%0.108CC..Hα-helixtrans-65.2-45.9174.2177.5-116.6000112.2T508 F512 E535 W536 Q541 L542 Y543 F1331T508-W539 HydrophobicContact CG2-CH2 3.79Å; T508-W539 HydrophobicContact CG2-CZ2 4.27Å; F512-W539 HydrophobicContact CB-CH2 3.76Å; F512-W539 HydrophobicContact CB-CZ3 3.89Å; F512-W539 HydrophobicContact CD2-CE3 4.45Å; F512-W539 AromaticContact CD2-CH2 3.87Å; F512-W539 HydrophobicContact CD2-CH2 3.87Å; F512-W539 HydrophobicContact CD2-CZ2 4.03Å; F512-W539 HydrophobicContact CD2-CZ3 4.09Å; F512-W539 HydrophobicContact CG-CH2 4.25Å; E535-W539 PolarHBondContact O-N 2.71Å; W536-W539 PolarHBondContact O-N 3.41Å; W539-Q541 VanDerWaalsContact C-N 3.29Å; W539-Q541 PolarHBondContact O-N 2.99Å; W539-L542 HydrophobicContact CE3-CD2 4.41Å; W539-L542 HydrophobicContact CZ3-CD2 4.09Å; W539-L542 PolarHBondContact O-N 2.92Å; W539-Y543 WeakPolarHBondContact O-CB 3.47Å; W539-Y543 PolarHBondContact O-N 3Å; W539-F1331 HydrophobicContact CB-CD2 4.3Å; W539-F1331 HydrophobicContact CB-CE2 4.4Å; W539-F1331 HydrophobicContact CB-CG 4.49Å; W539-F1331 HydrophobicContact CD2-CZ 4.33Å; W539-F1331 AromaticContact CE3-CE1 3.83Å; W539-F1331 HydrophobicContact CE3-CE1 3.83Å; W539-F1331 HydrophobicContact CE3-CE2 4.01Å; W539-F1331 AromaticContact CE3-CZ 3.42Å; W539-F1331 HydrophobicContact CE3-CZ 3.42Å; W539-F1331 VanDerWaalsContact CE3-CZ 3.42Å; W539-F1331 HydrophobicContact CZ3-CE1 4.44Å; W539-F1331 AromaticContact CZ3-CZ 3.96Å; W539-F1331 HydrophobicContact CZ3-CZ 3.96Å
540M94.5Very high92Very high4 Ų423.6 Ų23.62%0.0211%0.107CC..Hα-helixtrans-52.7-48.7172.2-71.2179.9-158.900111.3W536 K537 Y543 L544 V565 S568 Y569 L572W536-M540 HydrophobicContact CB-CE 4.45Å; W536-M540 VanDerWaalsContact CD1-CE 3.45Å; W536-M540 HydrophobicContact CD2-CE 3.59Å; W536-M540 VanDerWaalsContact CE2-CE 3.41Å; W536-M540 HydrophobicContact CE3-CE 4.4Å; W536-M540 HydrophobicContact CG-CE 3.59Å; W536-M540 HydrophobicContact CZ2-CE 4.06Å; W536-M540 VanDerWaalsContact NE1-CE 3.33Å; W536-M540 VanDerWaalsContact O-CG 3.24Å; W536-M540 WeakPolarHBondContact O-CG 3.07Å; W536-M540 PolarHBondContact O-N 2.99Å; K537-M540 PolarHBondContact O-N 3.42Å; M540-Y543 PolarHBondContact O-N 3.43Å; M540-L544 WeakPolarHBondContact O-CG 3.48Å; M540-L544 PolarHBondContact O-N 3.12Å; M540-V565 HydrophobicContact CB-CG1 3.64Å; M540-V565 HydrophobicContact CG-CG1 3.9Å; M540-S568 VanDerWaalsContact CE-CB 3.41Å; M540-Y569 HydrophobicContact SD-CD2 4.26Å; M540-L572 HydrophobicContact CE-CD1 4.12Å; M540-L572 HydrophobicContact CE-CD2 3.79Å; M540-L572 HydrophobicContact CE-CG 4.48Å
541Q95Very high92.2Very high2 Ų220.7 Ų20.71%0.0099%0.092CC..Hα-helixtrans-62.9-49.4-175.9-172.658.942.600111.5K537 G538 W539 Y543 L544 L545 I1334 S1338 L1341 F1342K537-Q541 WeakPolarHBondContact O-CB 3.34Å; K537-Q541 PolarHBondContact O-N 2.89Å; G538-Q541 PolarHBondContact O-N 3.49Å; W539-Q541 VanDerWaalsContact C-N 3.29Å; W539-Q541 PolarHBondContact O-N 2.99Å; Q541-Y543 VanDerWaalsContact C-N 3.3Å; Q541-Y543 PolarHBondContact O-N 3.28Å; Q541-L544 PolarHBondContact O-N 2.95Å; Q541-L545 HydrophobicContact CG-CD1 4.28Å; Q541-L545 WeakPolarHBondContact O-CD1 3.4Å; Q541-L545 PolarHBondContact O-N 3.27Å; Q541-I1334 HydrophobicContact CB-CG2 4.27Å; Q541-I1334 HydrophobicContact CG-CG2 4.44Å; Q541-S1338 PolarHBondContact NE2-O 3.18Å; Q541-S1338 PolarHBondContact OE1-O 3.43Å; Q541-L1341 HydrophobicContact CG-CB 3.96Å; Q541-L1341 HydrophobicContact CG-CD1 4.13Å; Q541-F1342 VanDerWaalsContact NE2-CB 3.3Å; Q541-F1342 VanDerWaalsContact NE2-N 3.16Å
542L94.1Very high92.1Very high17 Ų1719.8 Ų19.89%0.0899%0.087CC..Hα-helixtrans-64.6-35.8-179.2-175.9144.4000111.9C511 G538 W539 L545 I546 F1330 I1334C511-L542 HydrophobicContact CB-CD1 3.72Å; C511-L542 HydrophobicContact CB-CD2 3.3Å; C511-L542 HydrophobicContact CB-CG 4.13Å; G538-L542 WeakPolarHBondContact O-CB 3.41Å; G538-L542 PolarHBondContact O-N 3.31Å; W539-L542 HydrophobicContact CE3-CD2 4.41Å; W539-L542 HydrophobicContact CZ3-CD2 4.09Å; W539-L542 PolarHBondContact O-N 2.92Å; L542-L545 WeakPolarHBondContact O-CB 3.39Å; L542-L545 PolarHBondContact O-N 3.35Å; L542-I546 HydrophobicContact CD2-CD1 3.63Å; L542-I546 HydrophobicContact CG-CD1 4.49Å; L542-I546 WeakPolarHBondContact O-CG1 3.39Å; L542-I546 PolarHBondContact O-N 3.24Å; L542-I546 VanDerWaalsContact O-N 3.11Å; L542-F1330 HydrophobicContact CD1-CE1 4.35Å; L542-I1334 HydrophobicContact CD1-CD1 3.99Å
543Y94.8Very high91.9Very high26 Ų2624.8 Ų24.810%0.10211%0.106CC..Hα-helixtrans-63.4-45.6173.1-175.3-92.8000112.3F504 T508 W539 M540 Q541 L545 I546 Y547 S561 A562 V565F504-Y543 HydrophobicContact CE1-CE2 4.42Å; F504-Y543 AromaticContact CZ-CE2 3.69Å; F504-Y543 HydrophobicContact CZ-CE2 3.69Å; F504-Y543 AromaticContact CZ-CZ 3.78Å; T508-Y543 HydrophobicContact CG2-CD2 4.24Å; T508-Y543 HydrophobicContact CG2-CE2 4.47Å; W539-Y543 WeakPolarHBondContact O-CB 3.47Å; W539-Y543 PolarHBondContact O-N 3Å; M540-Y543 PolarHBondContact O-N 3.43Å; Q541-Y543 VanDerWaalsContact C-N 3.3Å; Q541-Y543 PolarHBondContact O-N 3.28Å; Y543-L545 VanDerWaalsContact C-N 3.32Å; Y543-L545 PolarHBondContact O-N 3.39Å; Y543-I546 PolarHBondContact O-N 2.79Å; Y543-Y547 WeakPolarHBondContact O-CB 3.45Å; Y543-Y547 PolarHBondContact O-N 3.47Å; Y543-S561 PolarHBondContact OH-OG 3.49Å; Y543-A562 HydrophobicContact CE1-CB 4.24Å; Y543-V565 HydrophobicContact CD1-CB 4.41Å; Y543-V565 HydrophobicContact CD1-CG1 4.47Å; Y543-V565 HydrophobicContact CD1-CG2 3.85Å; Y543-V565 HydrophobicContact CE1-CG2 4.18Å
544L93.9Very high91.5Very high4 Ų431 Ų312%0.02113%0.128CC..Hα-helixtrans-63.5-37176.3-69.8174.6000112.4M540 Q541 Y547 H548 A562 V565 V566 F1342M540-L544 WeakPolarHBondContact O-CG 3.48Å; M540-L544 PolarHBondContact O-N 3.12Å; Q541-L544 PolarHBondContact O-N 2.95Å; L544-Y547 PolarHBondContact O-N 3.1Å; L544-H548 WeakPolarHBondContact O-CB 3.47Å; L544-H548 PolarHBondContact O-CD2 3.38Å; L544-H548 PolarHBondContact O-N 3.46Å; L544-A562 HydrophobicContact CD2-CB 4.4Å; L544-V565 HydrophobicContact CD1-CG1 3.97Å; L544-V565 HydrophobicContact CD2-CB 4.5Å; L544-V565 HydrophobicContact CD2-CG1 4.02Å; L544-V565 HydrophobicContact CG-CG1 3.73Å; L544-V566 HydrophobicContact CD1-CG2 4.23Å; L544-V566 HydrophobicContact CD2-CG2 4.12Å; L544-F1342 HydrophobicContact CD1-CD2 4.35Å; L544-F1342 HydrophobicContact CD1-CE2 4.22Å
545L93.6Very high91.4Very high10 Ų1029.7 Ų29.75%0.05213%0.128CC..Hα-helixtrans-57.6-52.1173.3-106.560.4000111.8Q541 L542 Y543 Y547 H548 F549 L1341 Q1345 W1349 F1376Q541-L545 HydrophobicContact CG-CD1 4.28Å; Q541-L545 WeakPolarHBondContact O-CD1 3.4Å; Q541-L545 PolarHBondContact O-N 3.27Å; L542-L545 WeakPolarHBondContact O-CB 3.39Å; L542-L545 PolarHBondContact O-N 3.35Å; Y543-L545 VanDerWaalsContact C-N 3.32Å; Y543-L545 PolarHBondContact O-N 3.39Å; L545-Y547 PolarHBondContact O-N 3.07Å; L545-H548 PolarHBondContact O-N 3.07Å; L545-F549 WeakPolarHBondContact O-CB 3.26Å; L545-F549 PolarHBondContact O-N 2.93Å; L545-L1341 HydrophobicContact CD1-CB 4.43Å; L545-Q1345 HydrophobicContact CD1-CB 4.47Å; L545-W1349 HydrophobicContact CB-CH2 4.25Å; L545-W1349 HydrophobicContact CB-CZ3 3.66Å; L545-W1349 HydrophobicContact CD2-CH2 3.94Å; L545-W1349 HydrophobicContact CD2-CZ3 3.94Å; L545-W1349 HydrophobicContact CG-CE3 4.25Å; L545-W1349 HydrophobicContact CG-CH2 4.22Å; L545-W1349 HydrophobicContact CG-CZ3 3.68Å; L545-F1376 HydrophobicContact CD2-CE1 3.66Å; L545-F1376 HydrophobicContact CD2-CZ 3.88Å; L545-F1376 HydrophobicContact CG-CE1 4.42Å; L545-F1376 HydrophobicContact CG-CZ 4.33Å
546I93.4Very high91.3Very high12 Ų1230 Ų306%0.06213%0.131CC..Hα-helixtrans-64.5-42.3178.6-64.3165.4000110.6F504 P507 L542 Y543 H548 F549 T550F504-I546 HydrophobicContact CD2-CG2 3.81Å; F504-I546 HydrophobicContact CE2-CG2 4.06Å; P507-I546 HydrophobicContact CB-CD1 3.96Å; P507-I546 HydrophobicContact CB-CG1 4.29Å; P507-I546 HydrophobicContact CB-CG2 4.4Å; L542-I546 HydrophobicContact CD2-CD1 3.63Å; L542-I546 HydrophobicContact CG-CD1 4.49Å; L542-I546 WeakPolarHBondContact O-CG1 3.39Å; L542-I546 PolarHBondContact O-N 3.24Å; L542-I546 VanDerWaalsContact O-N 3.11Å; Y543-I546 PolarHBondContact O-N 2.79Å; I546-H548 PolarHBondContact O-N 3.26Å; I546-F549 PolarHBondContact O-N 3.49Å; I546-T550 HydrophobicContact CG2-CG2 4.12Å; I546-T550 WeakPolarHBondContact O-CB 3.15Å; I546-T550 WeakPolarHBondContact O-CG2 3.22Å; I546-T550 PolarHBondContact O-N 2.75Å; I546-T550 PolarHBondContact O-OG1 2.78Å
547Y93.6Very high91.2Very high14 Ų1430.6 Ų30.66%0.05514%0.137CC..Hα-helixtrans-56.6-46.3176165.5-93.5000112.8Y543 L544 L545 T550 D551 S552 Y553 I558 F559 A562Y543-Y547 WeakPolarHBondContact O-CB 3.45Å; Y543-Y547 PolarHBondContact O-N 3.47Å; L544-Y547 PolarHBondContact O-N 3.1Å; L545-Y547 PolarHBondContact O-N 3.07Å; Y547-T550 PolarHBondContact O-OG1 3.45Å; Y547-D551 PolarHBondContact O-N 3.45Å; Y547-S552 PolarHBondContact O-N 3.19Å; Y547-Y553 VanDerWaalsContact OH-CB 3.23Å; Y547-Y553 WeakPolarHBondContact OH-CB 3.04Å; Y547-I558 HydrophobicContact CD2-CG2 4.08Å; Y547-F559 WeakPolarHBondContact OH-CD2 3.39Å; Y547-A562 HydrophobicContact CD1-CB 4.29Å; Y547-A562 HydrophobicContact CD2-CB 3.68Å; Y547-A562 HydrophobicContact CE1-CB 4.26Å; Y547-A562 HydrophobicContact CE2-CB 3.64Å; Y547-A562 HydrophobicContact CG-CB 4.02Å
548H92.1Very high91.1Very high34 Ų3428.9 Ų28.916%0.15713%0.13CC..Hα-helixtrans-74.2-31.2179.9-80.1-62000113.6K497 L544 L545 I546 Y1346 L1350K497-H548 PolarHBondContact NZ-O 2.85Å; L544-H548 WeakPolarHBondContact O-CB 3.47Å; L544-H548 PolarHBondContact O-CD2 3.38Å; L544-H548 PolarHBondContact O-N 3.46Å; L545-H548 PolarHBondContact O-N 3.07Å; I546-H548 PolarHBondContact O-N 3.26Å; H548-Y1346 PolarHBondContact NE2-OH 3.42Å; H548-L1350 HydrophobicContact CB-CD1 4.31Å
549F91Very high91Very high40 Ų4030.5 Ų30.518%0.17514%0.137CC..Hα-helixtrans-69.5-42.1174.9-170.1-95000112.7L545 I546 W1349 L1350 I1357 L1369L545-F549 WeakPolarHBondContact O-CB 3.26Å; L545-F549 PolarHBondContact O-N 2.93Å; I546-F549 PolarHBondContact O-N 3.49Å; F549-W1349 HydrophobicContact CB-CE3 4.36Å; F549-W1349 HydrophobicContact CD2-CB 4.2Å; F549-W1349 HydrophobicContact CD2-CD2 4.32Å; F549-W1349 HydrophobicContact CD2-CE3 4.05Å; F549-W1349 HydrophobicContact CD2-CG 4.42Å; F549-W1349 HydrophobicContact CE2-CB 4.49Å; F549-L1350 HydrophobicContact CD2-CD2 4.27Å; F549-I1357 HydrophobicContact CE1-CD1 4.19Å; F549-I1357 HydrophobicContact CE2-CD1 4.34Å; F549-I1357 HydrophobicContact CE2-CG1 4.38Å; F549-I1357 HydrophobicContact CE2-CG2 3.69Å; F549-I1357 HydrophobicContact CZ-CD1 4.03Å; F549-I1357 HydrophobicContact CZ-CG2 3.81Å; F549-L1369 HydrophobicContact CE1-CD1 4.16Å; F549-L1369 HydrophobicContact CE2-CD1 4.19Å; F549-L1369 HydrophobicContact CZ-CD1 3.8Å
550T89.9Confident90.9Very high6 Ų627.7 Ų27.74%0.03713%0.126CC..Hα-helixtrans-88.2-3.7-173.655.50000115R498 Y499 S503 I546 Y547 S552R498-T550 CarbonylContact C-O 3.57Å; Y499-T550 VanDerWaalsContact CA-O 3.24Å; Y499-T550 WeakPolarHBondContact CA-O 3.37Å; Y499-T550 PolarHBondContact N-O 3.43Å; S503-T550 WeakPolarHBondContact O-CG2 3.41Å; I546-T550 HydrophobicContact CG2-CG2 4.12Å; I546-T550 WeakPolarHBondContact O-CB 3.15Å; I546-T550 WeakPolarHBondContact O-CG2 3.22Å; I546-T550 PolarHBondContact O-N 2.75Å; I546-T550 PolarHBondContact O-OG1 2.78Å; Y547-T550 PolarHBondContact O-OG1 3.45Å; T550-S552 PolarHBondContact O-N 2.99Å; T550-S552 PolarHBondContact OG1-OG 3.11Å
551D86.3Confident90.8Very high20 Ų2028.9 Ų28.911%0.10714%0.135CC..THydrogen-bonded Turntrans59.731.2-176.2-147.548000114.4K497 Y547 Y553 R554K497-D551 HydrophobicContact CB-CB 3.75Å; K497-D551 HydrophobicContact CD-CB 3.75Å; K497-D551 HydrophobicContact CG-CB 4.41Å; K497-D551 IonicContact NZ-OD1 2.75Å; Y547-D551 PolarHBondContact O-N 3.45Å; D551-Y553 PolarHBondContact O-N 2.9Å; D551-Y553 WeakPolarHBondContact OD1-CD1 3.5Å; D551-Y553 WeakPolarHBondContact OD1-CE1 3.42Å; D551-Y553 WeakPolarHBondContact OD2-CE1 3.4Å; D551-R554 IonicContact OD2-CZ 3.14Å; D551-R554 IonicContact OD2-NE 3.38Å; D551-R554 PolarHBondContact OD2-NE 3.18Å; D551-R554 IonicContact OD2-NH2 2.72Å; D551-R554 PolarHBondContact OD2-NH2 2.95Å
552S85.5Confident90.7Very high0 Ų028.8 Ų28.80%014%0.135CC..G310 helixtrans-67.9-1.4-170.9-66.90000115.4Y499 F504 Y547 T550 R554 V555Y499-S552 WeakPolarHBondContact CD2-OG 3.35Å; Y499-S552 VanDerWaalsContact CE2-OG 3.27Å; Y499-S552 WeakPolarHBondContact CE2-OG 3.44Å; F504-S552 WeakPolarHBondContact CD2-OG 3.38Å; Y547-S552 PolarHBondContact O-N 3.19Å; T550-S552 PolarHBondContact O-N 2.99Å; T550-S552 PolarHBondContact OG1-OG 3.11Å; S552-R554 PolarHBondContact O-N 3.4Å; S552-R554 VanDerWaalsContact O-N 3.12Å; S552-V555 PolarHBondContact O-N 3.01Å; S552-V555 VanDerWaalsContact O-N 3.12Å
553Y84.4Confident90.6Very high105 Ų10529 Ų2941%0.41213%0.134SC..G310 helixtrans-59.3-22.4175.886.4-90.9000113.2Y547 D551 V555Y547-Y553 VanDerWaalsContact OH-CB 3.23Å; Y547-Y553 WeakPolarHBondContact OH-CB 3.04Å; D551-Y553 PolarHBondContact O-N 2.9Å; D551-Y553 WeakPolarHBondContact OD1-CD1 3.5Å; D551-Y553 WeakPolarHBondContact OD1-CE1 3.42Å; D551-Y553 WeakPolarHBondContact OD2-CE1 3.4Å; Y553-V555 PolarHBondContact O-N 3.47Å
554R82.6Confident90.6Very high146 Ų14629.6 Ų29.655%0.55114%0.139SC*.G310 helixtrans-64.7-24.2177.9-58-176.4-166.4-133.2-1.5112.6D551 S552 R1295D551-R554 IonicContact OD2-CZ 3.14Å; D551-R554 IonicContact OD2-NE 3.38Å; D551-R554 PolarHBondContact OD2-NE 3.18Å; D551-R554 IonicContact OD2-NH2 2.72Å; D551-R554 PolarHBondContact OD2-NH2 2.95Å; S552-R554 PolarHBondContact O-N 3.4Å; S552-R554 VanDerWaalsContact O-N 3.12Å; R554-R1295 PolarHBondContact O-NH2 3.45Å
555V89Confident90.6Very high43 Ų4330.6 Ų30.626%0.26115%0.145SC..SBendtrans-97.9112.8178.1175.90000110Y499 S552 Y553 I558 F559Y499-V555 HydrophobicContact CD1-CG2 3.99Å; Y499-V555 HydrophobicContact CE1-CG2 3.52Å; Y499-V555 HydrophobicContact CE2-CG2 4.22Å; S552-V555 PolarHBondContact O-N 3.01Å; S552-V555 VanDerWaalsContact O-N 3.12Å; Y553-V555 PolarHBondContact O-N 3.47Å; V555-I558 HydrophobicContact CB-CB 4.31Å; V555-I558 HydrophobicContact CB-CD1 4.01Å; V555-I558 HydrophobicContact CB-CG1 4.25Å; V555-I558 HydrophobicContact CG1-CB 4.31Å; V555-I558 HydrophobicContact CG1-CD1 3.84Å; V555-I558 HydrophobicContact CG1-CG1 3.85Å; V555-I558 PolarHBondContact O-N 2.97Å; V555-I558 VanDerWaalsContact O-N 3.09Å; V555-F559 PolarHBondContact O-N 2.87Å
556T88.9Confident90.6Very high22 Ų2230.2 Ų30.214%0.13514%0.143CC..Hα-helixtrans-57.2-44.9-172-58.80000114.1I558 F559 M560 C1292 R1295T556-I558 PolarHBondContact O-N 3.47Å; T556-F559 PolarHBondContact O-N 2.86Å; T556-M560 HydrophobicContact CG2-CE 4.43Å; T556-M560 HydrophobicContact CG2-CG 4.43Å; T556-M560 WeakPolarHBondContact O-CG 3.18Å; T556-M560 PolarHBondContact O-N 3.45Å; T556-C1292 HydrophobicContact CG2-CB 4.35Å; T556-C1292 WeakPolarHBondContact CG2-O 3.24Å; T556-R1295 HydrophobicContact CG2-CG 3.82Å; T556-R1295 PolarHBondContact OG1-NE 2.83Å; T556-R1295 PolarHBondContact OG1-NH2 3.46Å
557P90.5Very high90.7Very high29 Ų2929.7 Ų29.719%0.18814%0.14CC..Hα-helixtrans-57-42.8173.8-29.736.7000114M560 S561 V1289 F1290P557-M560 PolarHBondContact O-N 3.21Å; P557-S561 PolarHBondContact O-N 2.69Å; P557-S561 PolarHBondContact O-OG 3.26Å; P557-V1289 HydrophobicContact CB-CG1 3.94Å; P557-V1289 VanDerWaalsContact O-CG1 3.28Å; P557-V1289 WeakPolarHBondContact O-CG1 3.06Å; P557-F1290 HydrophobicContact CB-CD1 4.06Å; P557-F1290 HydrophobicContact CB-CE1 4.15Å; P557-F1290 HydrophobicContact CG-CD1 4.07Å; P557-F1290 HydrophobicContact CG-CE1 4.48Å
558I91.5Very high90.7Very high11 Ų1129.3 Ų29.36%0.05614%0.14CC..Hα-helixtrans-71.3-36.3-179.3-58.5172.8000111.1Y499 F504 F505 Y547 V555 T556 S561 A562Y499-I558 HydrophobicContact CE2-CD1 3.91Å; Y499-I558 WeakPolarHBondContact OH-CD1 3.44Å; F504-I558 HydrophobicContact CD1-CD1 3.75Å; F504-I558 HydrophobicContact CE1-CD1 3.88Å; F504-I558 HydrophobicContact CE1-CG1 4.18Å; F504-I558 HydrophobicContact CE1-CG2 3.86Å; F504-I558 HydrophobicContact CE2-CG2 3.96Å; F504-I558 HydrophobicContact CG-CD1 4.34Å; F504-I558 HydrophobicContact CZ-CG2 3.52Å; F505-I558 HydrophobicContact CZ-CD1 4.4Å; Y547-I558 HydrophobicContact CD2-CG2 4.08Å; V555-I558 HydrophobicContact CB-CB 4.31Å; V555-I558 HydrophobicContact CB-CD1 4.01Å; V555-I558 HydrophobicContact CB-CG1 4.25Å; V555-I558 HydrophobicContact CG1-CB 4.31Å; V555-I558 HydrophobicContact CG1-CD1 3.84Å; V555-I558 HydrophobicContact CG1-CG1 3.85Å; V555-I558 PolarHBondContact O-N 2.97Å; V555-I558 VanDerWaalsContact O-N 3.09Å; T556-I558 PolarHBondContact O-N 3.47Å; I558-S561 WeakPolarHBondContact CA-OG 3.26Å; I558-S561 PolarHBondContact O-OG 3.47Å; I558-A562 WeakPolarHBondContact O-CB 3.32Å; I558-A562 PolarHBondContact O-N 3.37Å
559F92.7Very high90.9Very high34 Ų3428.4 Ų28.415%0.14914%0.135CC..Hα-helixtrans-59.7-44.5170.9171.9-91.6000111.7Y547 V555 T556 A562 R563 L1299Y547-F559 WeakPolarHBondContact OH-CD2 3.39Å; V555-F559 PolarHBondContact O-N 2.87Å; T556-F559 PolarHBondContact O-N 2.86Å; F559-A562 PolarHBondContact O-N 3.23Å; F559-R563 HydrophobicContact CD1-CG 4.36Å; F559-R563 HydrophobicContact CE1-CG 3.89Å; F559-R563 HydrophobicContact CZ-CG 4.01Å; F559-R563 PolarHBondContact O-N 2.86Å; F559-L1299 HydrophobicContact CE1-CD1 4.13Å; F559-L1299 HydrophobicContact CE1-CD2 3.9Å; F559-L1299 HydrophobicContact CE1-CG 4.15Å; F559-L1299 HydrophobicContact CZ-CD1 4.24Å; F559-L1299 HydrophobicContact CZ-CD2 4.12Å
560M91.8Very high91Very high3 Ų326.5 Ų26.52%0.01513%0.127CC..Hα-helixtrans-68.7-40.5-179.9-67.8-62.6166.500112.5T556 P557 A562 R563 L564 V1289 R1295 C1298 L1299T556-M560 HydrophobicContact CG2-CE 4.43Å; T556-M560 HydrophobicContact CG2-CG 4.43Å; T556-M560 WeakPolarHBondContact O-CG 3.18Å; T556-M560 PolarHBondContact O-N 3.45Å; P557-M560 PolarHBondContact O-N 3.21Å; M560-A562 VanDerWaalsContact C-N 3.31Å; M560-A562 PolarHBondContact O-N 3.47Å; M560-R563 PolarHBondContact O-N 3.02Å; M560-L564 PolarHBondContact O-N 3.26Å; M560-V1289 HydrophobicContact CB-CG1 4.33Å; M560-V1289 HydrophobicContact CB-CG2 4.24Å; M560-R1295 HydrophobicContact CE-CB 4.32Å; M560-R1295 HydrophobicContact CE-CG 4.44Å; M560-C1298 HydrophobicContact CE-CB 3.41Å; M560-C1298 VanDerWaalsContact CE-CB 3.41Å; M560-C1298 HydrophobicContact SD-CB 3.96Å; M560-L1299 HydrophobicContact CE-CG 4.16Å
561S92.1Very high91.3Very high29 Ų2926.2 Ų26.220%0.20313%0.125CC..Hα-helixtrans-65-34.5171.954.80000112.4Y543 P557 I558 L564 V565Y543-S561 PolarHBondContact OH-OG 3.49Å; P557-S561 PolarHBondContact O-N 2.69Å; P557-S561 PolarHBondContact O-OG 3.26Å; I558-S561 WeakPolarHBondContact CA-OG 3.26Å; I558-S561 PolarHBondContact O-OG 3.47Å; S561-L564 PolarHBondContact O-N 2.82Å; S561-V565 WeakPolarHBondContact O-CG2 3.48Å; S561-V565 PolarHBondContact O-N 3.32Å
562A92.8Very high91.7Very high0 Ų025.3 Ų25.30%012%0.121CC..Hα-helixtrans-67.4-32.9171.900000113.1Y543 L544 Y547 I558 F559 M560 V566Y543-A562 HydrophobicContact CE1-CB 4.24Å; L544-A562 HydrophobicContact CD2-CB 4.4Å; Y547-A562 HydrophobicContact CD1-CB 4.29Å; Y547-A562 HydrophobicContact CD2-CB 3.68Å; Y547-A562 HydrophobicContact CE1-CB 4.26Å; Y547-A562 HydrophobicContact CE2-CB 3.64Å; Y547-A562 HydrophobicContact CG-CB 4.02Å; I558-A562 WeakPolarHBondContact O-CB 3.32Å; I558-A562 PolarHBondContact O-N 3.37Å; F559-A562 PolarHBondContact O-N 3.23Å; M560-A562 VanDerWaalsContact C-N 3.31Å; M560-A562 PolarHBondContact O-N 3.47Å; A562-V566 WeakPolarHBondContact O-CG2 3.35Å; A562-V566 PolarHBondContact O-N 3.11Å
563R92.7Very high92Very high21 Ų2125.6 Ų25.68%0.07912%0.123CC..Hα-helixtrans-65.3-46.1169.6-67.7-55.185.3-167.10.5111.4F559 M560 V565 V566 S567 Y676 L1299F559-R563 HydrophobicContact CD1-CG 4.36Å; F559-R563 HydrophobicContact CE1-CG 3.89Å; F559-R563 HydrophobicContact CZ-CG 4.01Å; F559-R563 PolarHBondContact O-N 2.86Å; M560-R563 PolarHBondContact O-N 3.02Å; R563-V565 VanDerWaalsContact C-N 3.27Å; R563-V565 PolarHBondContact O-N 3.01Å; R563-V566 WeakPolarHBondContact O-CB 3.41Å; R563-V566 PolarHBondContact O-N 3.12Å; R563-S567 PolarHBondContact O-N 3.32Å; R563-S567 PolarHBondContact O-OG 2.97Å; R563-Y676 PolarHBondContact NH1-OH 2.96Å; R563-L1299 HydrophobicContact CG-CD2 4.17Å
564L93.4Very high92.4Very high39 Ų3920.6 Ų20.620%0.20410%0.103CC..Hα-helixtrans-56-40.1174.6172.258.6000112.7M560 S561 S567 S568 P1309 I1310M560-L564 PolarHBondContact O-N 3.26Å; S561-L564 PolarHBondContact O-N 2.82Å; L564-S567 PolarHBondContact O-N 3.4Å; L564-S568 WeakPolarHBondContact O-CB 3.41Å; L564-S568 PolarHBondContact O-N 3.18Å; L564-S568 PolarHBondContact O-OG 3.05Å; L564-P1309 HydrophobicContact CD1-CB 4Å; L564-P1309 HydrophobicContact CD1-CG 3.43Å; L564-P1309 VanDerWaalsContact CD1-CG 3.43Å; L564-P1309 HydrophobicContact CD2-CB 3.78Å; L564-P1309 HydrophobicContact CD2-CG 3.81Å; L564-P1309 HydrophobicContact CG-CG 4.28Å; L564-I1310 HydrophobicContact CD1-CD1 4.41Å; L564-I1310 HydrophobicContact CD1-CG1 3.97Å
565V94.4Very high92.9Very high24 Ų2414.6 Ų14.615%0.1458%0.081CC..Hα-helixtrans-62.7-41.9174.9166.80000112M540 Y543 L544 S561 R563 S568 Y569M540-V565 HydrophobicContact CB-CG1 3.64Å; M540-V565 HydrophobicContact CG-CG1 3.9Å; Y543-V565 HydrophobicContact CD1-CB 4.41Å; Y543-V565 HydrophobicContact CD1-CG1 4.47Å; Y543-V565 HydrophobicContact CD1-CG2 3.85Å; Y543-V565 HydrophobicContact CE1-CG2 4.18Å; L544-V565 HydrophobicContact CD1-CG1 3.97Å; L544-V565 HydrophobicContact CD2-CB 4.5Å; L544-V565 HydrophobicContact CD2-CG1 4.02Å; L544-V565 HydrophobicContact CG-CG1 3.73Å; S561-V565 WeakPolarHBondContact O-CG2 3.48Å; S561-V565 PolarHBondContact O-N 3.32Å; R563-V565 VanDerWaalsContact C-N 3.27Å; R563-V565 PolarHBondContact O-N 3.01Å; V565-S568 WeakPolarHBondContact O-CB 3.45Å; V565-S568 PolarHBondContact O-N 3.06Å; V565-Y569 PolarHBondContact O-N 2.75Å; V565-Y569 VanDerWaalsContact O-N 3.14Å
566V93.8Very high92.9Very high3 Ų314.1 Ų14.12%0.0189%0.085CC..Hα-helixtrans-63.8-46.1174.4171.70000111.6L544 A562 R563 S568 Y569 L570 F677L544-V566 HydrophobicContact CD1-CG2 4.23Å; L544-V566 HydrophobicContact CD2-CG2 4.12Å; A562-V566 WeakPolarHBondContact O-CG2 3.35Å; A562-V566 PolarHBondContact O-N 3.11Å; R563-V566 WeakPolarHBondContact O-CB 3.41Å; R563-V566 PolarHBondContact O-N 3.12Å; V566-S568 VanDerWaalsContact C-N 3.28Å; V566-S568 PolarHBondContact O-N 3.06Å; V566-Y569 WeakPolarHBondContact O-CB 3.44Å; V566-Y569 PolarHBondContact O-N 3.47Å; V566-Y569 VanDerWaalsContact O-N 3.14Å; V566-L570 HydrophobicContact CG1-CD1 4.41Å; V566-L570 PolarHBondContact O-N 3.43Å; V566-L570 VanDerWaalsContact O-N 3.12Å; V566-F677 HydrophobicContact CG1-CD2 4.32Å; V566-F677 HydrophobicContact CG1-CE2 4.07Å
567S95.2Very high92.9Very high0 Ų015 Ų150%09%0.087CC..Hα-helixtrans-60.6-37.8176-54.10000112.4R563 L564 Y569 L570 F571 D1086 H1302R563-S567 PolarHBondContact O-N 3.32Å; R563-S567 PolarHBondContact O-OG 2.97Å; L564-S567 PolarHBondContact O-N 3.4Å; S567-Y569 VanDerWaalsContact C-N 3.34Å; S567-Y569 PolarHBondContact O-N 3.22Å; S567-L570 PolarHBondContact O-N 2.96Å; S567-F571 WeakPolarHBondContact O-CB 3.41Å; S567-F571 PolarHBondContact O-N 3.13Å; S567-D1086 WeakPolarHBondContact CA-OD1 3.42Å; S567-D1086 VanDerWaalsContact CB-OD1 3.27Å; S567-D1086 WeakPolarHBondContact CB-OD1 3.5Å; S567-D1086 PolarHBondContact OG-OD1 3.46Å; S567-H1302 PolarHBondContact OG-CE1 3.01Å; S567-H1302 PolarHBondContact OG-NE2 2.93Å
568S95.1Very high92.9Very high7 Ų713.6 Ų13.65%0.0498%0.078CC..Hα-helixtrans-63.5-38.9176.5-55.40000111.6M540 L564 V565 V566 F571 L572 I1310M540-S568 VanDerWaalsContact CE-CB 3.41Å; L564-S568 WeakPolarHBondContact O-CB 3.41Å; L564-S568 PolarHBondContact O-N 3.18Å; L564-S568 PolarHBondContact O-OG 3.05Å; V565-S568 WeakPolarHBondContact O-CB 3.45Å; V565-S568 PolarHBondContact O-N 3.06Å; V566-S568 VanDerWaalsContact C-N 3.28Å; V566-S568 PolarHBondContact O-N 3.06Å; S568-F571 PolarHBondContact O-N 3.28Å; S568-L572 WeakPolarHBondContact O-CB 3.47Å; S568-L572 WeakPolarHBondContact O-CD1 3.39Å; S568-L572 PolarHBondContact O-N 3.4Å; S568-I1310 WeakPolarHBondContact OG-CG1 3.39Å
569Y94.6Very high92.7Very high14 Ų1413.8 Ų13.86%0.0558%0.081CC..Hα-helixtrans-65.3-42.6174.7-171.4-80.3000111.9K537 M540 V565 V566 S567 L572 S573 F677 V681K537-Y569 HydrophobicContact CD-CD2 4.46Å; K537-Y569 HydrophobicContact CD-CE2 3.95Å; K537-Y569 HydrophobicContact CG-CD2 4.09Å; K537-Y569 HydrophobicContact CG-CE2 4.02Å; M540-Y569 HydrophobicContact SD-CD2 4.26Å; V565-Y569 PolarHBondContact O-N 2.75Å; V565-Y569 VanDerWaalsContact O-N 3.14Å; V566-Y569 WeakPolarHBondContact O-CB 3.44Å; V566-Y569 PolarHBondContact O-N 3.47Å; V566-Y569 VanDerWaalsContact O-N 3.14Å; S567-Y569 VanDerWaalsContact C-N 3.34Å; S567-Y569 PolarHBondContact O-N 3.22Å; Y569-L572 WeakPolarHBondContact O-CB 3.34Å; Y569-L572 PolarHBondContact O-N 3.47Å; Y569-S573 PolarHBondContact O-N 2.85Å; Y569-F677 HydrophobicContact CD1-CE1 4.25Å; Y569-F677 HydrophobicContact CD1-CE2 4.12Å; Y569-F677 AromaticContact CD1-CZ 3.39Å; Y569-F677 HydrophobicContact CD1-CZ 3.39Å; Y569-F677 HydrophobicContact CD2-CZ 4.36Å; Y569-F677 HydrophobicContact CE1-CE1 4.13Å; Y569-F677 AromaticContact CE1-CZ 3.72Å; Y569-F677 HydrophobicContact CE1-CZ 3.72Å; Y569-F677 AromaticContact CG-CZ 3.75Å; Y569-F677 HydrophobicContact CG-CZ 3.75Å; Y569-V681 HydrophobicContact CD1-CG2 4.29Å; Y569-V681 HydrophobicContact CE1-CG2 3.93Å
570L94.7Very high92.3Very high0 Ų015.4 Ų15.40%09%0.086CC..Hα-helixtrans-66.6-38.2178.1-68.9174.1000112.1V566 S567 S573 G574 L680 V681 D1086 A1090V566-L570 HydrophobicContact CG1-CD1 4.41Å; V566-L570 PolarHBondContact O-N 3.43Å; V566-L570 VanDerWaalsContact O-N 3.12Å; S567-L570 PolarHBondContact O-N 2.96Å; L570-S573 WeakPolarHBondContact O-CB 3.34Å; L570-S573 PolarHBondContact O-N 2.92Å; L570-G574 PolarHBondContact O-N 2.92Å; L570-L680 HydrophobicContact CD1-CD2 3.83Å; L570-L680 HydrophobicContact CD1-CG 4.22Å; L570-L680 HydrophobicContact CD2-CG 4.41Å; L570-V681 HydrophobicContact CD2-CG2 3.86Å; L570-D1086 HydrophobicContact CD1-CB 3.55Å; L570-A1090 WeakPolarHBondContact O-CA 3.41Å
571F96.4Very high91.9Very high0 Ų016 Ų160%09%0.089CC..Hα-helixtrans-59.5-45.8169-177.9-77.9000111.4S567 S568 S573 G574 F575 S1089 Y1092 G1093 F1096 L1307 I1310 I1314S567-F571 WeakPolarHBondContact O-CB 3.41Å; S567-F571 PolarHBondContact O-N 3.13Å; S568-F571 PolarHBondContact O-N 3.28Å; F571-S573 VanDerWaalsContact C-N 3.3Å; F571-S573 PolarHBondContact O-N 3.25Å; F571-G574 PolarHBondContact O-N 3.43Å; F571-F575 VanDerWaalsContact O-CB 3.26Å; F571-F575 WeakPolarHBondContact O-CB 3.48Å; F571-F575 PolarHBondContact O-N 2.9Å; F571-S1089 WeakPolarHBondContact CA-O 3.26Å; F571-S1089 WeakPolarHBondContact CB-O 3.45Å; F571-Y1092 WeakPolarHBondContact CE2-O 3.41Å; F571-G1093 VanDerWaalsContact CD2-N 3.28Å; F571-G1093 WeakPolarHBondContact O-CA 3.38Å; F571-F1096 HydrophobicContact CE1-CB 4.37Å; F571-F1096 AromaticContact CE1-CD1 3.96Å; F571-F1096 HydrophobicContact CE1-CD1 3.96Å; F571-F1096 HydrophobicContact CE1-CG 4.31Å; F571-F1096 HydrophobicContact CE2-CB 4.02Å; F571-F1096 HydrophobicContact CE2-CG 4.47Å; F571-F1096 HydrophobicContact CZ-CB 3.5Å; F571-F1096 AromaticContact CZ-CD1 3.7Å; F571-F1096 HydrophobicContact CZ-CD1 3.7Å; F571-F1096 HydrophobicContact CZ-CD2 4.33Å; F571-F1096 AromaticContact CZ-CG 3.58Å; F571-F1096 HydrophobicContact CZ-CG 3.58Å; F571-L1307 HydrophobicContact CE2-CD1 4.14Å; F571-I1310 HydrophobicContact CB-CD1 4.17Å; F571-I1310 HydrophobicContact CB-CG2 4.24Å; F571-I1310 HydrophobicContact CD1-CG2 3.66Å; F571-I1310 HydrophobicContact CD2-CD1 4.46Å; F571-I1310 HydrophobicContact CD2-CG2 3.66Å; F571-I1310 HydrophobicContact CE1-CG2 3.77Å; F571-I1310 HydrophobicContact CE2-CG2 3.76Å; F571-I1310 HydrophobicContact CG-CD1 4.48Å; F571-I1310 HydrophobicContact CG-CG2 3.6Å; F571-I1310 HydrophobicContact CZ-CG2 3.79Å; F571-I1314 HydrophobicContact CD1-CD1 4.48Å; F571-I1314 HydrophobicContact CE1-CD1 3.56Å; F571-I1314 HydrophobicContact CZ-CD1 3.94Å
572L93.3Very high91.4Very high2 Ų215.4 Ų15.41%0.018%0.082CC..Hα-helixtrans-62.7-36176.9-101.865.3000112.5T533 W536 K537 M540 S568 Y569 G576T533-L572 HydrophobicContact CG2-CD2 3.74Å; T533-L572 HydrophobicContact CG2-CG 4.08Å; W536-L572 HydrophobicContact CB-CD2 4.36Å; W536-L572 HydrophobicContact CD2-CD1 4.13Å; W536-L572 HydrophobicContact CD2-CD2 4.26Å; W536-L572 HydrophobicContact CE3-CD1 3.46Å; W536-L572 VanDerWaalsContact CE3-CD1 3.46Å; W536-L572 HydrophobicContact CE3-CD2 4.01Å; W536-L572 HydrophobicContact CE3-CG 4.3Å; W536-L572 HydrophobicContact CG-CD2 4.46Å; W536-L572 HydrophobicContact CH2-CD1 3.87Å; W536-L572 HydrophobicContact CZ2-CD1 4.48Å; W536-L572 HydrophobicContact CZ3-CD1 3.33Å; K537-L572 HydrophobicContact CG-CD2 3.85Å; M540-L572 HydrophobicContact CE-CD1 4.12Å; M540-L572 HydrophobicContact CE-CD2 3.79Å; M540-L572 HydrophobicContact CE-CG 4.48Å; S568-L572 WeakPolarHBondContact O-CB 3.47Å; S568-L572 WeakPolarHBondContact O-CD1 3.39Å; S568-L572 PolarHBondContact O-N 3.4Å; Y569-L572 WeakPolarHBondContact O-CB 3.34Å; Y569-L572 PolarHBondContact O-N 3.47Å; L572-G576 PolarHBondContact O-N 3.38Å
573S91.9Very high90.8Very high6 Ų620 Ų204%0.04210%0.099CC..Hα-helixtrans-63.3-54.1173.5-172.30000111.1Y569 L570 F571 F575 G576 H577Y569-S573 PolarHBondContact O-N 2.85Å; L570-S573 WeakPolarHBondContact O-CB 3.34Å; L570-S573 PolarHBondContact O-N 2.92Å; F571-S573 VanDerWaalsContact C-N 3.3Å; F571-S573 PolarHBondContact O-N 3.25Å; S573-F575 VanDerWaalsContact C-N 3.35Å; S573-F575 PolarHBondContact O-N 2.95Å; S573-G576 PolarHBondContact O-N 3.16Å; S573-H577 WeakPolarHBondContact O-CB 3.48Å; S573-H577 PolarHBondContact O-CD2 3.42Å; S573-H577 PolarHBondContact O-N 3.38Å; S573-H577 PolarHBondContact OG-CD2 3.25Å
574G92.6Very high89.7Confident0 Ų023 Ų230%011%0.113CC..Hα-helixtrans-59.4-42.5177.300000112.9L570 F571 F578L570-G574 PolarHBondContact O-N 2.92Å; F571-G574 PolarHBondContact O-N 3.43Å; G574-F578 WeakPolarHBondContact O-CB 3.43Å; G574-F578 PolarHBondContact O-N 3.28Å
575F93.1Very high87.9Confident19 Ų1926.5 Ų26.58%0.08314%0.138CC..Hα-helixtrans-60.7-54.5175.6172-95.4000112N528 F571 S573 F578 C579 G1093 F1096 A1097N528-F575 HydrophobicContact CB-CE1 4.34Å; N528-F575 HydrophobicContact CB-CZ 4.14Å; N528-F575 WeakPolarHBondContact ND2-CE1 3.32Å; F571-F575 VanDerWaalsContact O-CB 3.26Å; F571-F575 WeakPolarHBondContact O-CB 3.48Å; F571-F575 PolarHBondContact O-N 2.9Å; S573-F575 VanDerWaalsContact C-N 3.35Å; S573-F575 PolarHBondContact O-N 2.95Å; F575-F578 PolarHBondContact O-N 2.98Å; F575-C579 WeakPolarHBondContact O-CB 3.14Å; F575-C579 PolarHBondContact O-N 3.42Å; F575-C579 PolarHBondContact O-SG 2.03Å; F575-C579 VanDerWaalsContact O-SG 3.35Å; F575-G1093 WeakPolarHBondContact CA-O 3.29Å; F575-F1096 AromaticContact CD2-CD1 3.85Å; F575-F1096 HydrophobicContact CD2-CD1 3.85Å; F575-F1096 HydrophobicContact CD2-CE1 4.46Å; F575-F1096 AromaticContact CE2-CD1 3.99Å; F575-F1096 HydrophobicContact CE2-CD1 3.99Å; F575-F1096 HydrophobicContact CE2-CE1 4.21Å; F575-A1097 HydrophobicContact CD2-CB 3.62Å; F575-A1097 HydrophobicContact CE2-CB 4.17Å; F575-A1097 HydrophobicContact CG-CB 4.33Å
576G88.8Confident86.1Confident34 Ų3427.8 Ų27.835%0.35115%0.146SC..Hα-helixtrans-64.2-47.6-175.700000112.8L572 S573 C579 Y580L572-G576 PolarHBondContact O-N 3.38Å; S573-G576 PolarHBondContact O-N 3.16Å; G576-C579 PolarHBondContact O-N 3.05Å; G576-Y580 PolarHBondContact O-N 3.09Å
577H89.4Confident84Confident39 Ų3931.3 Ų31.318%0.18117%0.168CC..Hα-helixtrans-67.4-38178.8-67.6-56.9000112.1S573 Y580 F581 F657 F685 T688S573-H577 WeakPolarHBondContact O-CB 3.48Å; S573-H577 PolarHBondContact O-CD2 3.42Å; S573-H577 PolarHBondContact O-N 3.38Å; S573-H577 PolarHBondContact OG-CD2 3.25Å; H577-Y580 PolarHBondContact O-N 3.12Å; H577-F581 HydrophobicContact CB-CE2 4.38Å; H577-F581 WeakPolarHBondContact O-CD2 3.28Å; H577-F581 PolarHBondContact O-N 2.94Å; H577-F581 VanDerWaalsContact O-N 3.15Å; H577-F657 AromaticContact NE2-CZ 3.92Å; H577-F685 HydrophobicContact CB-CD2 4.42Å; H577-F685 AromaticContact CD2-CD2 3.77Å; H577-F685 AromaticContact CE1-CD2 3.69Å; H577-F685 AromaticContact CE1-CE2 3.96Å; H577-F685 AromaticContact CG-CD2 3.74Å; H577-F685 AromaticContact ND1-CD2 3.69Å; H577-F685 AromaticContact ND1-CE2 3.78Å; H577-F685 AromaticContact NE2-CD2 3.75Å; H577-T688 HydrophobicContact CB-CG2 3.86Å
578F90.9Very high81.7Confident0 Ų035.1 Ų35.10%019%0.186CC..Hα-helixtrans-62.7-48.1173-172.3-84000111.4G574 F575 Y580 F581 W582 M1023 F1027 M1094 A1097 F1098G574-F578 WeakPolarHBondContact O-CB 3.43Å; G574-F578 PolarHBondContact O-N 3.28Å; F575-F578 PolarHBondContact O-N 2.98Å; F578-Y580 VanDerWaalsContact C-N 3.27Å; F578-Y580 PolarHBondContact O-N 3.45Å; F578-F581 PolarHBondContact O-N 2.67Å; F578-W582 HydrophobicContact CD1-CB 3.98Å; F578-W582 HydrophobicContact CD1-CG 4.38Å; F578-W582 HydrophobicContact CE1-CB 3.77Å; F578-W582 AromaticContact CE1-CD2 3.74Å; F578-W582 HydrophobicContact CE1-CD2 3.74Å; F578-W582 AromaticContact CE1-CE3 3.9Å; F578-W582 HydrophobicContact CE1-CE3 3.9Å; F578-W582 AromaticContact CE1-CG 3.72Å; F578-W582 HydrophobicContact CE1-CG 3.72Å; F578-W582 HydrophobicContact CZ-CB 4.48Å; F578-W582 AromaticContact CZ-CD2 3.96Å; F578-W582 HydrophobicContact CZ-CD2 3.96Å; F578-W582 AromaticContact CZ-CE3 3.62Å; F578-W582 HydrophobicContact CZ-CE3 3.62Å; F578-W582 HydrophobicContact CZ-CG 4.37Å; F578-W582 HydrophobicContact CZ-CZ3 4.24Å; F578-W582 WeakPolarHBondContact O-CB 3.48Å; F578-W582 PolarHBondContact O-N 3.37Å; F578-M1023 HydrophobicContact CE2-CE 3.67Å; F578-M1023 HydrophobicContact CZ-CE 3.94Å; F578-F1027 HydrophobicContact CD2-CZ 4.34Å; F578-F1027 HydrophobicContact CE2-CE1 4.15Å; F578-F1027 AromaticContact CE2-CZ 3.64Å; F578-F1027 HydrophobicContact CE2-CZ 3.64Å; F578-F1027 HydrophobicContact CZ-CZ 4.02Å; F578-M1094 HydrophobicContact CB-CB 4.28Å; F578-M1094 HydrophobicContact CB-CG 4.15Å; F578-M1094 HydrophobicContact CD2-CB 3.91Å; F578-M1094 HydrophobicContact CD2-CG 4.17Å; F578-M1094 HydrophobicContact CD2-SD 4.24Å; F578-M1094 HydrophobicContact CG-CB 4.25Å; F578-A1097 HydrophobicContact CB-CB 4Å; F578-A1097 HydrophobicContact CD1-CB 3.57Å; F578-A1097 HydrophobicContact CE1-CB 4.45Å; F578-A1097 HydrophobicContact CG-CB 4.08Å; F578-F1098 HydrophobicContact CE1-CB 3.78Å; F578-F1098 HydrophobicContact CE1-CD2 4.41Å; F578-F1098 HydrophobicContact CZ-CB 3.83Å; F578-F1098 HydrophobicContact CZ-CD2 4.09Å; F578-F1098 HydrophobicContact CZ-CG 4.39Å
579C86.8Confident79.6Confident16 Ų1635.8 Ų35.811%0.10819%0.189CC..Hα-helixtrans-55.4-40.7176.6-77.70000112.4F575 G576 W582 R583F575-C579 WeakPolarHBondContact O-CB 3.14Å; F575-C579 PolarHBondContact O-N 3.42Å; F575-C579 PolarHBondContact O-SG 2.03Å; F575-C579 VanDerWaalsContact O-SG 3.35Å; G576-C579 PolarHBondContact O-N 3.05Å; C579-W582 PolarHBondContact O-N 3.49Å; C579-R583 VanDerWaalsContact O-CB 3.3Å; C579-R583 WeakPolarHBondContact O-CB 3.28Å; C579-R583 VanDerWaalsContact O-CG 3.28Å; C579-R583 WeakPolarHBondContact O-CG 3.32Å; C579-R583 PolarHBondContact O-N 3.32Å
580Y84Confident77.1Confident67 Ų6738.3 Ų38.326%0.26320%0.204SC..Hα-helixtrans-60.7-55.4175.8179.7-98.8000112.5G576 H577 F578 W582 R583 K584 I649G576-Y580 PolarHBondContact O-N 3.09Å; H577-Y580 PolarHBondContact O-N 3.12Å; F578-Y580 VanDerWaalsContact C-N 3.27Å; F578-Y580 PolarHBondContact O-N 3.45Å; Y580-W582 VanDerWaalsContact C-N 3.27Å; Y580-W582 PolarHBondContact O-N 3.09Å; Y580-R583 PolarHBondContact O-N 3.07Å; Y580-K584 HydrophobicContact CE1-CD 4.37Å; Y580-K584 HydrophobicContact CE2-CD 3.8Å; Y580-K584 VanDerWaalsContact CE2-CE 3.49Å; Y580-K584 PolarHBondContact O-N 3.18Å; Y580-K584 PolarHBondContact OH-NZ 3.34Å; Y580-I649 HydrophobicContact CE1-CG2 4.43Å
581F83.9Confident74.7Confident16 Ų1644.2 Ų44.27%0.0723%0.226CC..Hα-helixtrans-71.1-20.3179.6-61.4-58.6000113.5H577 F578 F685 L689 C692H577-F581 HydrophobicContact CB-CE2 4.38Å; H577-F581 WeakPolarHBondContact O-CD2 3.28Å; H577-F581 PolarHBondContact O-N 2.94Å; H577-F581 VanDerWaalsContact O-N 3.15Å; F578-F581 PolarHBondContact O-N 2.67Å; F581-F685 HydrophobicContact CE2-CE2 4.13Å; F581-F685 HydrophobicContact CZ-CE2 4.1Å; F581-F685 HydrophobicContact CZ-CZ 4.49Å; F581-L689 HydrophobicContact CD1-CD1 4.49Å; F581-L689 HydrophobicContact CE1-CD1 3.7Å; F581-L689 HydrophobicContact CE2-CD1 3.93Å; F581-L689 HydrophobicContact CZ-CD1 3.39Å; F581-C692 HydrophobicContact CB-CB 3.91Å; F581-C692 HydrophobicContact CD2-CB 4.46Å; F581-C692 HydrophobicContact CG-CB 4.32Å
582W82.6Confident72.1Confident16 Ų1649.7 Ų49.76%0.06126%0.255CS..Hα-helixtrans-82.8-31.8175.3-167.9-102.5000112.6F578 C579 Y580 R697 T1019 M1023 F1098F578-W582 HydrophobicContact CD1-CB 3.98Å; F578-W582 HydrophobicContact CD1-CG 4.38Å; F578-W582 HydrophobicContact CE1-CB 3.77Å; F578-W582 AromaticContact CE1-CD2 3.74Å; F578-W582 HydrophobicContact CE1-CD2 3.74Å; F578-W582 AromaticContact CE1-CE3 3.9Å; F578-W582 HydrophobicContact CE1-CE3 3.9Å; F578-W582 AromaticContact CE1-CG 3.72Å; F578-W582 HydrophobicContact CE1-CG 3.72Å; F578-W582 HydrophobicContact CZ-CB 4.48Å; F578-W582 AromaticContact CZ-CD2 3.96Å; F578-W582 HydrophobicContact CZ-CD2 3.96Å; F578-W582 AromaticContact CZ-CE3 3.62Å; F578-W582 HydrophobicContact CZ-CE3 3.62Å; F578-W582 HydrophobicContact CZ-CG 4.37Å; F578-W582 HydrophobicContact CZ-CZ3 4.24Å; F578-W582 WeakPolarHBondContact O-CB 3.48Å; F578-W582 PolarHBondContact O-N 3.37Å; C579-W582 PolarHBondContact O-N 3.49Å; Y580-W582 VanDerWaalsContact C-N 3.27Å; Y580-W582 PolarHBondContact O-N 3.09Å; W582-R697 VanDerWaalsContact CE3-NH2 3.27Å; W582-R697 VanDerWaalsContact O-CZ 3.26Å; W582-R697 PolarHBondContact O-NH1 3.28Å; W582-R697 PolarHBondContact O-NH2 3.43Å; W582-T1019 HydrophobicContact CH2-CG2 4.3Å; W582-M1023 HydrophobicContact CH2-CG 3.75Å; W582-M1023 HydrophobicContact CZ3-CE 4.34Å; W582-M1023 HydrophobicContact CZ3-CG 3.56Å; W582-M1023 HydrophobicContact CZ3-SD 3.88Å; W582-F1098 HydrophobicContact CH2-CD2 4.02Å; W582-F1098 AromaticContact CH2-CE2 3.79Å; W582-F1098 HydrophobicContact CH2-CE2 3.79Å; W582-F1098 AromaticContact CZ2-CD2 3.97Å; W582-F1098 HydrophobicContact CZ2-CD2 3.97Å; W582-F1098 AromaticContact CZ2-CE2 3.88Å; W582-F1098 HydrophobicContact CZ2-CE2 3.88Å; W582-F1098 HydrophobicContact CZ3-CD2 4.47Å
583R78.6Confident69.7Low96 Ų9656.5 Ų56.536%0.36228%0.284SS..Hα-helixtrans-83.6-44.1177.1-71.5178.3-180-161.2-0.9112.9Q526 C579 Y580 E1101Q526-R583 VanDerWaalsContact OE1-NH2 3.12Å; C579-R583 VanDerWaalsContact O-CB 3.3Å; C579-R583 WeakPolarHBondContact O-CB 3.28Å; C579-R583 VanDerWaalsContact O-CG 3.28Å; C579-R583 WeakPolarHBondContact O-CG 3.32Å; C579-R583 PolarHBondContact O-N 3.32Å; Y580-R583 PolarHBondContact O-N 3.07Å; R583-E1101 IonicContact CZ-OE1 3.17Å; R583-E1101 IonicContact NE-OE1 2.75Å; R583-E1101 PolarHBondContact NE-OE1 3.08Å; R583-E1101 IonicContact NH2-OE1 2.74Å; R583-E1101 PolarHBondContact NH2-OE1 3.48Å
584K71.3Confident67.4Low86 Ų8661.7 Ų61.737%0.37431%0.311SS..SBendtrans-70.9130.1176.8-73.2-167.8178.1-179.80110.9Y580 V586Y580-K584 HydrophobicContact CE1-CD 4.37Å; Y580-K584 HydrophobicContact CE2-CD 3.8Å; Y580-K584 VanDerWaalsContact CE2-CE 3.49Å; Y580-K584 PolarHBondContact O-N 3.18Å; Y580-K584 PolarHBondContact OH-NZ 3.34Å; K584-V586 PolarHBondContact O-N 3.11Å; K584-V586 VanDerWaalsContact O-N 3.14Å
585P55Low64.9Low111 Ų11166.3 Ų66.372%0.72134%0.335SS*.  trans-75.5103.7-179.129.2-33.7000111P587P585-P587 WeakPolarHBondContact O-CD 3.45Å
586V57Low62.3Low52 Ų5272.5 Ų72.532%0.31537%0.369SS..PPolyproline II helixtrans-78.1116.1177.4-174.50000110.3K584 F642K584-V586 PolarHBondContact O-N 3.11Å; K584-V586 VanDerWaalsContact O-N 3.14Å; V586-F642 HydrophobicContact CG1-CE1 4.16Å; V586-F642 HydrophobicContact CG1-CE2 3.76Å; V586-F642 HydrophobicContact CG1-CZ 3.36Å
587P48.4Very low60Low76 Ų7679.5 Ų79.549%0.49439%0.386SS..PPolyproline II helixtrans-68.7152.1175.929.2-34.5000111.6P585 I589 F642P585-P587 WeakPolarHBondContact O-CD 3.45Å; P587-I589 PolarHBondContact O-N 3.06Å; P587-F642 HydrophobicContact CG-CB 4.35Å; P587-F642 HydrophobicContact CG-CD2 3.62Å; P587-F642 HydrophobicContact CG-CE2 4.23Å; P587-F642 HydrophobicContact CG-CG 3.92Å
588Q47.8Very low57.5Low80 Ų8088 Ų8837%0.37442%0.417SS..PPolyproline II helixtrans-74.7118.3-168.6-64.5-169.6-3700113.8N590 P696 R697Q588-N590 PolarHBondContact O-N 2.9Å; Q588-P696 HydrophobicContact CB-CB 4.47Å; Q588-P696 HydrophobicContact CG-CB 4.06Å; Q588-R697 PolarHBondContact NE2-O 3.16Å
589I50.7Low54.9Low22 Ų2299.7 Ų99.711%0.11346%0.461CS..  trans-75.4103.4151.3-58.8177.9000107.3P587 W591 F642 I643P587-I589 PolarHBondContact O-N 3.06Å; I589-W591 HydrophobicContact CG2-CD2 4.13Å; I589-W591 HydrophobicContact CG2-CG 4.17Å; I589-W591 HydrophobicContact CG2-CZ2 4.19Å; I589-W591 PolarHBondContact O-N 3Å; I589-F642 HydrophobicContact CD1-CD1 3.84Å; I589-F642 HydrophobicContact CD1-CE1 3.7Å; I589-F642 HydrophobicContact CG1-CD1 3.73Å; I589-F642 HydrophobicContact CG1-CE1 3.84Å; I589-I643 HydrophobicContact CD1-CD1 4.16Å; I589-I643 HydrophobicContact CD1-CG1 3.66Å; I589-I643 HydrophobicContact CG1-CG1 4.47Å
590N42.7Very low52.5Low67 Ų67101.2 Ų101.236%0.35847%0.471SS..  trans-87.772.1-172.4-161-14.1000111.8Q588 L592 K593Q588-N590 PolarHBondContact O-N 2.9Å; N590-L592 PolarHBondContact O-N 3.35Å; N590-K593 PolarHBondContact O-N 3.28Å
591W44.1Very low50.7Low124 Ų124103.3 Ų103.347%0.4750%0.496SS..Hα-helixtrans-53.9-22-176.1-71.1101.2000115I589 K593 L594 L595I589-W591 HydrophobicContact CG2-CD2 4.13Å; I589-W591 HydrophobicContact CG2-CG 4.17Å; I589-W591 HydrophobicContact CG2-CZ2 4.19Å; I589-W591 PolarHBondContact O-N 3Å; W591-K593 VanDerWaalsContact C-N 3.29Å; W591-K593 PolarHBondContact O-N 3.18Å; W591-L594 HydrophobicContact CE3-CB 4.49Å; W591-L594 HydrophobicContact CE3-CD2 3.77Å; W591-L594 HydrophobicContact CZ3-CD2 3.65Å; W591-L594 WeakPolarHBondContact O-CA 3.25Å; W591-L594 WeakPolarHBondContact O-CB 3.45Å; W591-L594 PolarHBondContact O-N 3.31Å; W591-L595 PolarHBondContact O-N 2.94Å
592L40.5Very low49Very low115 Ų115113.1 Ų113.160%0.60253%0.532SS*.Hα-helixtrans-65.6-28.2173.6-9080.6000113.1N590 L594 L595 N596N590-L592 PolarHBondContact O-N 3.35Å; L592-L594 PolarHBondContact O-N 2.98Å; L592-L595 PolarHBondContact O-N 2.79Å; L592-N596 PolarHBondContact O-N 3.45Å
593K43.6Very low47.6Very low145 Ų145117.9 Ų117.963%0.6356%0.555SS**Hα-helixtrans-64.6-31.6169.8-82-168.2173.9-174.40111.9N590 W591N590-K593 PolarHBondContact O-N 3.28Å; W591-K593 VanDerWaalsContact C-N 3.29Å; W591-K593 PolarHBondContact O-N 3.18Å
594L44.4Very low46.1Very low114 Ų114120.3 Ų120.360%0.59757%0.569SS**Hα-helixtrans-74.8-41.1175.4-137.676000111.3W591 L592 Y597W591-L594 HydrophobicContact CE3-CB 4.49Å; W591-L594 HydrophobicContact CE3-CD2 3.77Å; W591-L594 HydrophobicContact CZ3-CD2 3.65Å; W591-L594 WeakPolarHBondContact O-CA 3.25Å; W591-L594 WeakPolarHBondContact O-CB 3.45Å; W591-L594 PolarHBondContact O-N 3.31Å; L592-L594 PolarHBondContact O-N 2.98Å; L594-Y597 WeakPolarHBondContact O-CB 3.36Å; L594-Y597 PolarHBondContact O-N 2.65Å; L594-Y597 VanDerWaalsContact O-N 3.16Å
595L38.8Very low45.1Very low97 Ų97120.7 Ų120.751%0.50858%0.581SS.*Hα-helixtrans-71-27177.8-75.2163.9000113.6W591 L592 Y597 R598W591-L595 PolarHBondContact O-N 2.94Å; L592-L595 PolarHBondContact O-N 2.79Å; L595-Y597 PolarHBondContact O-N 3.31Å; L595-R598 WeakPolarHBondContact O-CB 3.28Å; L595-R598 PolarHBondContact O-N 3.14Å
596N39.8Very low45.1Very low149 Ų149119.9 Ų119.980%0.79757%0.574SS**THydrogen-bonded Turntrans-67.9-9.5170.3-97.59.7000113.6L592 R598L592-N596 PolarHBondContact O-N 3.45Å; N596-R598 VanDerWaalsContact C-N 3.27Å
597Y39.7Very low45Very low182 Ų182119.9 Ų119.971%0.71458%0.58SS**THydrogen-bonded Turntrans-84.94.2169.8-154.8-103.6000113.2L594 L595 R599L594-Y597 WeakPolarHBondContact O-CB 3.36Å; L594-Y597 PolarHBondContact O-N 2.65Å; L594-Y597 VanDerWaalsContact O-N 3.16Å; L595-Y597 PolarHBondContact O-N 3.31Å; Y597-R599 PolarHBondContact O-N 3.3Å
598R36.5Very low45Very low218 Ų218123 Ų12382%0.82358%0.581SS**THydrogen-bonded Turntrans-78.837.4-176.7-149.7176.8-156.3-169.25.3114.2L595 N596L595-R598 WeakPolarHBondContact O-CB 3.28Å; L595-R598 PolarHBondContact O-N 3.14Å; N596-R598 VanDerWaalsContact C-N 3.27Å
599R36.6Very low45.4Very low245 Ų245126.8 Ų126.893%0.92560%0.597SS**THydrogen-bonded Turntrans-122.925.3175.8-147.7-179.2-171.3176.43.4114.1Y597Y597-R599 PolarHBondContact O-N 3.3Å
600C36.5Very low45.7Very low47 Ų47127.9 Ų127.932%0.31861%0.609SS.*  trans-136.675.5166.1-158.60000112.3R602 E603C600-R602 VanDerWaalsContact C-N 3.26Å; C600-R602 PolarHBondContact O-N 3.44Å; C600-E603 VanDerWaalsContact SG-CG 3.53Å; C600-E603 PolarHBondContact SG-OE2 3.14Å
601S45.7Very low46.1Very low112 Ų112128.7 Ų128.778%0.78361%0.613SS**Hα-helixtrans-70.6-18.6179.852.20000114.1
602R49.8Very low46.5Very low221 Ų221130.4 Ų130.483%0.83462%0.62SS**Hα-helixtrans-83.1-34.9-175.7-161.6168.9-178.8168.3-1.6112.8C600C600-R602 VanDerWaalsContact C-N 3.26Å; C600-R602 PolarHBondContact O-N 3.44Å
603E51.3Low47.2Very low116 Ų116131.4 Ų131.454%0.54262%0.621SS.*Hα-helixtrans-80.2-28178.9-69.3176.2158.200112.9C600 C605 T606 A607C600-E603 VanDerWaalsContact SG-CG 3.53Å; C600-E603 PolarHBondContact SG-OE2 3.14Å; E603-C605 PolarHBondContact O-N 3.36Å; E603-T606 PolarHBondContact O-N 3.47Å; E603-T606 PolarHBondContact O-OG1 3.23Å; E603-A607 WeakPolarHBondContact O-CB 3.4Å; E603-A607 PolarHBondContact O-N 3.25Å
604F47.7Very low47.9Very low148 Ų148128.6 Ų128.665%0.64961%0.612SS**Hα-helixtrans-63.5-30.9177.4-158.7-92.5000112.3W608F604-W608 HydrophobicContact CE1-CE3 4.25Å; F604-W608 WeakPolarHBondContact O-CB 3.3Å; F604-W608 PolarHBondContact O-N 3.48Å
605C49.8Very low48.2Very low93 Ų93128.4 Ų128.463%0.62861%0.611SS**Hα-helixtrans-73.7-38.6176.4-109.10000113.3E603 K609E603-C605 PolarHBondContact O-N 3.36Å; C605-K609 PolarHBondContact O-N 3.39Å; C605-K609 VanDerWaalsContact O-N 3.13Å
606T56.8Low49Very low94 Ų94130.2 Ų130.258%0.57762%0.617SS**Hα-helixtrans-72.7-40.7174.450.30000110.9E603 W608 K609 A610E603-T606 PolarHBondContact O-N 3.47Å; E603-T606 PolarHBondContact O-OG1 3.23Å; T606-W608 VanDerWaalsContact C-N 3.35Å; T606-W608 PolarHBondContact O-N 3.11Å; T606-K609 PolarHBondContact O-N 2.91Å; T606-A610 WeakPolarHBondContact O-CB 3.41Å; T606-A610 PolarHBondContact O-N 3.5Å
607A54.3Low49.6Very low53 Ų53131.9 Ų131.944%0.43861%0.612SS.*Hα-helixtrans-61-39.4172.100000112.2E603 A610 L611E603-A607 WeakPolarHBondContact O-CB 3.4Å; E603-A607 PolarHBondContact O-N 3.25Å; A607-A610 PolarHBondContact O-N 3.41Å; A607-L611 WeakPolarHBondContact O-CB 3.4Å; A607-L611 PolarHBondContact O-N 2.79Å
608W47.8Very low49.9Very low140 Ų140130 Ų13053%0.5361%0.605SS.*Hα-helixtrans-68.4-42176.5-169.5-97.1000112.5F604 T606 L611 W612F604-W608 HydrophobicContact CE1-CE3 4.25Å; F604-W608 WeakPolarHBondContact O-CB 3.3Å; F604-W608 PolarHBondContact O-N 3.48Å; T606-W608 VanDerWaalsContact C-N 3.35Å; T606-W608 PolarHBondContact O-N 3.11Å; W608-L611 PolarHBondContact O-N 2.99Å; W608-W612 WeakPolarHBondContact O-CB 3.41Å; W608-W612 PolarHBondContact O-N 3.39Å
609K56.4Low50.4Low161 Ų161126.9 Ų126.970%0.760%0.603SS**Hα-helixtrans-62.4-42.8172.3-84.4-170.2171.7-1750112.2C605 T606 W612 Q613C605-K609 PolarHBondContact O-N 3.39Å; C605-K609 VanDerWaalsContact O-N 3.13Å; T606-K609 PolarHBondContact O-N 2.91Å; K609-W612 PolarHBondContact O-N 3.4Å; K609-Q613 PolarHBondContact O-N 3.44Å; K609-Q613 VanDerWaalsContact O-N 3.1Å
610A57.7Low51Low45 Ų45121.7 Ų121.737%0.37259%0.592SS.*Hα-helixtrans-63.6-45.4174.800000111.4T606 A607 W612 Q613 I614T606-A610 WeakPolarHBondContact O-CB 3.41Å; T606-A610 PolarHBondContact O-N 3.5Å; A607-A610 PolarHBondContact O-N 3.41Å; A610-W612 VanDerWaalsContact C-N 3.32Å; A610-W612 PolarHBondContact O-N 2.87Å; A610-Q613 CarbonylContact O-C 3.6Å; A610-Q613 PolarHBondContact O-N 2.72Å; A610-I614 VanDerWaalsContact O-CB 3.29Å; A610-I614 WeakPolarHBondContact O-CB 2.95Å; A610-I614 WeakPolarHBondContact O-CD1 3.45Å; A610-I614 WeakPolarHBondContact O-CG1 3.36Å; A610-I614 PolarHBondContact O-N 2.59Å
611L50.1Low51.3Low84 Ų84123.4 Ų123.444%0.4460%0.601SS.*Hα-helixtrans-65-33.4179.7-171.4147000112A607 W608 I614 L615A607-L611 WeakPolarHBondContact O-CB 3.4Å; A607-L611 PolarHBondContact O-N 2.79Å; W608-L611 PolarHBondContact O-N 2.99Å; L611-I614 PolarHBondContact O-N 3.21Å; L611-L615 HydrophobicContact CD2-CD1 3.96Å; L611-L615 WeakPolarHBondContact O-CB 3.42Å; L611-L615 PolarHBondContact O-N 2.93Å
612W52.3Low51.1Low160 Ų160122.1 Ų122.161%0.60659%0.591SS**Hα-helixtrans-68.1-45.6172.1-163.9-85.9000112.2W608 K609 A610 I614 L615 H616W608-W612 WeakPolarHBondContact O-CB 3.41Å; W608-W612 PolarHBondContact O-N 3.39Å; K609-W612 PolarHBondContact O-N 3.4Å; A610-W612 VanDerWaalsContact C-N 3.32Å; A610-W612 PolarHBondContact O-N 2.87Å; W612-I614 VanDerWaalsContact C-N 3.27Å; W612-I614 PolarHBondContact O-N 3.29Å; W612-L615 PolarHBondContact O-N 3.09Å; W612-H616 WeakPolarHBondContact O-CB 3.34Å; W612-H616 PolarHBondContact O-N 3.39Å
613Q56.3Low50.8Low136 Ų136118.7 Ų118.764%0.63659%0.588SS**Hα-helixtrans-66.2-29.9173.8-72.4-170.6-14.400112.8K609 A610 R617K609-Q613 PolarHBondContact O-N 3.44Å; K609-Q613 VanDerWaalsContact O-N 3.1Å; A610-Q613 CarbonylContact O-C 3.6Å; A610-Q613 PolarHBondContact O-N 2.72Å; Q613-R617 WeakPolarHBondContact O-CG 3.04Å; Q613-R617 PolarHBondContact O-N 3.24Å
614I57.9Low50Low85 Ų85120.4 Ų120.444%0.43660%0.6SS.*Hα-helixtrans-70.5-49.1172.7-74.9165.5000109.9A610 L611 W612 H616 R617 Y618A610-I614 VanDerWaalsContact O-CB 3.29Å; A610-I614 WeakPolarHBondContact O-CB 2.95Å; A610-I614 WeakPolarHBondContact O-CD1 3.45Å; A610-I614 WeakPolarHBondContact O-CG1 3.36Å; A610-I614 PolarHBondContact O-N 2.59Å; L611-I614 PolarHBondContact O-N 3.21Å; W612-I614 VanDerWaalsContact C-N 3.27Å; W612-I614 PolarHBondContact O-N 3.29Å; I614-H616 VanDerWaalsContact C-N 3.3Å; I614-H616 PolarHBondContact O-N 2.96Å; I614-R617 CarbonylContact O-C 3.27Å; I614-R617 PolarHBondContact O-N 2.84Å; I614-Y618 HydrophobicContact CG2-CD2 3.6Å; I614-Y618 HydrophobicContact CG2-CE2 3.71Å; I614-Y618 HydrophobicContact CG2-CG 4.34Å; I614-Y618 WeakPolarHBondContact O-CB 3.48Å; I614-Y618 VanDerWaalsContact O-CD2 3.32Å; I614-Y618 WeakPolarHBondContact O-CD2 3.36Å; I614-Y618 PolarHBondContact O-N 3.3Å
615L51Low49.2Very low110 Ų110121.8 Ų121.858%0.57661%0.606SS**Hα-helixtrans-55.8-45.2176.4-119.679.9000111.6L611 W612 R617 Y618 L619L611-L615 HydrophobicContact CD2-CD1 3.96Å; L611-L615 WeakPolarHBondContact O-CB 3.42Å; L611-L615 PolarHBondContact O-N 2.93Å; W612-L615 PolarHBondContact O-N 3.09Å; L615-R617 PolarHBondContact O-N 3.35Å; L615-Y618 PolarHBondContact O-N 3.31Å; L615-L619 PolarHBondContact O-N 3.31Å
616H55Low48.7Very low135 Ų135123.7 Ų123.763%0.62561%0.614SS**Hα-helixtrans-65.3-24.2179.8-163.1-57.2000113.3W612 I614W612-H616 WeakPolarHBondContact O-CB 3.34Å; W612-H616 PolarHBondContact O-N 3.39Å; I614-H616 VanDerWaalsContact C-N 3.3Å; I614-H616 PolarHBondContact O-N 2.96Å
617R51.4Low47.9Very low185 Ų185125.7 Ų125.770%0.69862%0.617SS**Hα-helixtrans-90.7-32.3171.4-68.7179.2-173.6-107.32.7112.4Q613 I614 L615 I620 V621Q613-R617 WeakPolarHBondContact O-CG 3.04Å; Q613-R617 PolarHBondContact O-N 3.24Å; I614-R617 CarbonylContact O-C 3.27Å; I614-R617 PolarHBondContact O-N 2.84Å; L615-R617 PolarHBondContact O-N 3.35Å; R617-I620 PolarHBondContact O-N 3.43Å; R617-V621 WeakPolarHBondContact O-CG2 3.41Å; R617-V621 PolarHBondContact O-N 3.02Å
618Y46.6Very low47.2Very low143 Ų143132 Ų13256%0.56164%0.635SS**Hα-helixtrans-69.8-33.4178.9-94.3-115.3000112.6I614 L615 I620 V621 C622I614-Y618 HydrophobicContact CG2-CD2 3.6Å; I614-Y618 HydrophobicContact CG2-CE2 3.71Å; I614-Y618 HydrophobicContact CG2-CG 4.34Å; I614-Y618 WeakPolarHBondContact O-CB 3.48Å; I614-Y618 VanDerWaalsContact O-CD2 3.32Å; I614-Y618 WeakPolarHBondContact O-CD2 3.36Å; I614-Y618 PolarHBondContact O-N 3.3Å; L615-Y618 PolarHBondContact O-N 3.31Å; Y618-I620 PolarHBondContact O-N 2.93Å; Y618-I620 VanDerWaalsContact O-N 3.09Å; Y618-V621 PolarHBondContact O-N 3.15Å; Y618-C622 WeakPolarHBondContact O-CB 3.46Å; Y618-C622 PolarHBondContact O-N 3.49Å; Y618-C622 PolarHBondContact O-SG 2.75Å
619L47.3Very low46.8Very low152 Ų152136.8 Ų136.880%0.79665%0.653SS**Hα-helixtrans-56.9-28.6176.2-162.571.4000112.7L615L615-L619 PolarHBondContact O-N 3.31Å
620I48.6Very low46.1Very low136 Ų136136.9 Ų136.970%0.69766%0.66SS**Hα-helixtrans-87.3-24.7177-62.9173.4000112R617 Y618R617-I620 PolarHBondContact O-N 3.43Å; Y618-I620 PolarHBondContact O-N 2.93Å; Y618-I620 VanDerWaalsContact O-N 3.09Å
621V42.8Very low45.3Very low82 Ų82142.7 Ų142.750%0.49768%0.677SS.*Hα-helixtrans-96.6-20-176.1176.50000113.2R617 Y618 I623 L624R617-V621 WeakPolarHBondContact O-CG2 3.41Å; R617-V621 PolarHBondContact O-N 3.02Å; Y618-V621 PolarHBondContact O-N 3.15Å; V621-I623 PolarHBondContact O-N 3.07Å; V621-L624 PolarHBondContact O-N 3.37Å; V621-L624 VanDerWaalsContact O-N 3.1Å
622C42.3Very low44.5Very low85 Ų85144.4 Ų144.457%0.57470%0.695SS**THydrogen-bonded Turntrans-63-3.7-179.6-79.60000115.4Y618Y618-C622 WeakPolarHBondContact O-CB 3.46Å; Y618-C622 PolarHBondContact O-N 3.49Å; Y618-C622 PolarHBondContact O-SG 2.75Å
623I43.5Very low43.9Very low150 Ų150144.5 Ų144.577%0.76971%0.707SS**THydrogen-bonded Turntrans-85-18.6174.6-66.8178000112.5V621V621-I623 PolarHBondContact O-N 3.07Å
624L33.5Very low43.2Very low151 Ų151142.6 Ų142.679%0.79170%0.7SS**THydrogen-bonded Turntrans-128.5-11.4-166.6-85.1172.9000119.2V621V621-L624 PolarHBondContact O-N 3.37Å; V621-L624 VanDerWaalsContact O-N 3.1Å
625F32.4Very low42.5Very low178 Ų178146.4 Ų146.478%0.78172%0.721SS**  trans-146.7103.5-178.5-122.2-90.6000114.9
626V37.9Very low42.6Very low132 Ų132145.6 Ų145.680%0.871%0.714SS**  trans-139.389.2168.4-174.40000111
627E41.5Very low42.7Very low137 Ų137142.8 Ų142.864%0.6471%0.708SS**SBendtrans-146.3156.9149.4-133.5-164.4-154.900112.3R629E627-R629 PolarHBondContact O-N 2.73Å
628K38Very low43.1Very low185 Ų185143.3 Ų143.380%0.80471%0.711SS**SBendtrans61.8-18164.1-65.4178.2178.91650121.6
629R40.6Very low43.8Very low240 Ų240139.6 Ų139.691%0.90670%0.699SS**  trans-95.9-4.8-172-118.8-178.1-172.8-167.71.8119.7E627E627-R629 PolarHBondContact O-N 2.73Å
630L40.5Very low44.7Very low164 Ų164134.3 Ų134.386%0.85968%0.675SS**SBendtrans-87.3-4.2-176.3-16062.5000115.1
631F41Very low45.7Very low166 Ų166135 Ų13573%0.72867%0.669SS**G310 helixtrans-84.4-21.3-169.2-133.1-92.6000115.3L633F631-L633 PolarHBondContact O-N 3.03Å
632C35.1Very low46.9Very low121 Ų121132.6 Ų132.682%0.81865%0.653SS**G310 helixtrans-87.47.9-168.8-59.30000115.9
633L38.7Very low48.4Very low162 Ų162132.5 Ų132.585%0.84865%0.646SS**G310 helixtrans-111.67.5-175.9-98.4166.7000115F631F631-L633 PolarHBondContact O-N 3.03Å
634I41.3Very low50Low96 Ų96127.3 Ų127.349%0.49262%0.617SS.*  trans-129.1101175-54.2176.3000110.1H636 S640I634-H636 PolarHBondContact O-N 3.26Å; I634-S640 WeakPolarHBondContact CD1-OG 3.44Å; I634-S640 WeakPolarHBondContact CG2-OG 3.4Å
635N43.1Very low52Low165 Ų165122.4 Ų122.488%0.88259%0.591SS**SBendtrans-70.731.8-179.6-89-19.7000115
636H53Low54.3Low93 Ų93115.3 Ų115.343%0.43156%0.561SS.*  trans-157.896.5167.4-92.6-65.2000109.7I634 Y638 Q639I634-H636 PolarHBondContact O-N 3.26Å; H636-Y638 VanDerWaalsContact C-N 3.26Å; H636-Y638 PolarHBondContact O-N 3.36Å; H636-Q639 HydrophobicContact CB-CB 4.12Å; H636-Q639 PolarHBondContact O-N 2.8Å
637P58.6Low56.5Low76 Ų76114.6 Ų114.649%0.49455%0.545SS..Hα-helixtrans-60.1-34.9-177.322-32.9000113.1Q639 S640 Y641P637-Q639 VanDerWaalsContact C-N 3.26Å; P637-Q639 PolarHBondContact O-N 3.35Å; P637-S640 PolarHBondContact O-N 2.86Å; P637-Y641 PolarHBondContact O-N 3.17Å; P637-Y641 VanDerWaalsContact O-N 3.13Å
638Y59.2Low58.6Low195 Ų195108.2 Ų108.277%0.76552%0.515SS*.Hα-helixtrans-56.5-34.8174.4-66.9-79.2000114H636 F642H636-Y638 VanDerWaalsContact C-N 3.26Å; H636-Y638 PolarHBondContact O-N 3.36Å; Y638-F642 PolarHBondContact O-N 2.81Å
639Q61.9Low60.8Low65 Ų65101.3 Ų101.330%0.30449%0.487SS..Hα-helixtrans-74.6-38.4-177.2-170.4174.3-35.900111.3H636 P637 F642 I643H636-Q639 HydrophobicContact CB-CB 4.12Å; H636-Q639 PolarHBondContact O-N 2.8Å; P637-Q639 VanDerWaalsContact C-N 3.26Å; P637-Q639 PolarHBondContact O-N 3.35Å; Q639-F642 PolarHBondContact O-N 2.81Å; Q639-I643 HydrophobicContact CG-CD1 4.31Å; Q639-I643 WeakPolarHBondContact O-CG1 3.47Å; Q639-I643 PolarHBondContact O-N 3.37Å; Q639-I643 VanDerWaalsContact O-N 3.09Å
640S65.8Low63.1Low41 Ų4192.4 Ų92.429%0.28745%0.454SS..Hα-helixtrans-63-45.2173-53.30000111.7I634 P637 F642 I643 F644I634-S640 WeakPolarHBondContact CD1-OG 3.44Å; I634-S640 WeakPolarHBondContact CG2-OG 3.4Å; P637-S640 PolarHBondContact O-N 2.86Å; S640-F642 PolarHBondContact O-N 3.13Å; S640-I643 PolarHBondContact O-N 3.26Å; S640-F644 WeakPolarHBondContact O-CB 3.24Å; S640-F644 PolarHBondContact O-N 2.9Å
641Y69.9Low65.5Low150 Ų15086 Ų8659%0.58842%0.421SS*.Hα-helixtrans-62.4-41.3178-173.8-91.1000112.2P637 F644 M645P637-Y641 PolarHBondContact O-N 3.17Å; P637-Y641 VanDerWaalsContact O-N 3.13Å; Y641-F644 PolarHBondContact O-N 2.87Å; Y641-M645 HydrophobicContact CD1-CG 4.21Å; Y641-M645 HydrophobicContact CE1-CE 4.05Å; Y641-M645 HydrophobicContact CE1-CG 3.84Å; Y641-M645 HydrophobicContact CE2-CE 4.43Å; Y641-M645 PolarHBondContact O-N 3.42Å; Y641-M645 WeakPolarHBondContact OH-CE 3.49Å
642F68.1Low67.8Low33 Ų3379.6 Ų79.615%0.14539%0.393CS..Hα-helixtrans-64.4-44.4175.7173.6-102.7000112.7V586 P587 I589 Y638 Q639 S640 F644 M645 L646V586-F642 HydrophobicContact CG1-CE1 4.16Å; V586-F642 HydrophobicContact CG1-CE2 3.76Å; V586-F642 HydrophobicContact CG1-CZ 3.36Å; P587-F642 HydrophobicContact CG-CB 4.35Å; P587-F642 HydrophobicContact CG-CD2 3.62Å; P587-F642 HydrophobicContact CG-CE2 4.23Å; P587-F642 HydrophobicContact CG-CG 3.92Å; I589-F642 HydrophobicContact CD1-CD1 3.84Å; I589-F642 HydrophobicContact CD1-CE1 3.7Å; I589-F642 HydrophobicContact CG1-CD1 3.73Å; I589-F642 HydrophobicContact CG1-CE1 3.84Å; Y638-F642 PolarHBondContact O-N 2.81Å; Q639-F642 PolarHBondContact O-N 2.81Å; S640-F642 PolarHBondContact O-N 3.13Å; F642-F644 VanDerWaalsContact C-N 3.29Å; F642-F644 PolarHBondContact O-N 3.36Å; F642-M645 PolarHBondContact O-N 3.38Å; F642-L646 HydrophobicContact CZ-CB 4.24Å; F642-L646 HydrophobicContact CZ-CD1 4.21Å; F642-L646 HydrophobicContact CZ-CD2 4.48Å; F642-L646 PolarHBondContact O-N 3.18Å
643I73.5Confident70.3Confident83 Ų8375.3 Ų75.343%0.42636%0.363SS..Hα-helixtrans-61.3-41.1176.5-69.3166.5000110.5I589 Q639 S640 L646 Y647I589-I643 HydrophobicContact CD1-CD1 4.16Å; I589-I643 HydrophobicContact CD1-CG1 3.66Å; I589-I643 HydrophobicContact CG1-CG1 4.47Å; Q639-I643 HydrophobicContact CG-CD1 4.31Å; Q639-I643 WeakPolarHBondContact O-CG1 3.47Å; Q639-I643 PolarHBondContact O-N 3.37Å; Q639-I643 VanDerWaalsContact O-N 3.09Å; S640-I643 PolarHBondContact O-N 3.26Å; I643-L646 PolarHBondContact O-N 2.96Å; I643-Y647 WeakPolarHBondContact O-CB 3.5Å; I643-Y647 PolarHBondContact O-N 3.11Å
644F76Confident72.8Confident40 Ų4069.3 Ų69.318%0.17533%0.332CS..Hα-helixtrans-60.3-47.3173.9177.8-99.2000112.1S640 Y641 F642 L646 Y647 F648 P1399 L1402S640-F644 WeakPolarHBondContact O-CB 3.24Å; S640-F644 PolarHBondContact O-N 2.9Å; Y641-F644 PolarHBondContact O-N 2.87Å; F642-F644 VanDerWaalsContact C-N 3.29Å; F642-F644 PolarHBondContact O-N 3.36Å; F644-L646 VanDerWaalsContact C-N 3.34Å; F644-L646 PolarHBondContact O-N 3.41Å; F644-Y647 PolarHBondContact O-N 2.68Å; F644-F648 HydrophobicContact CZ-CD2 4.4Å; F644-F648 VanDerWaalsContact O-CB 3.29Å; F644-F648 WeakPolarHBondContact O-CB 3.49Å; F644-F648 PolarHBondContact O-N 2.84Å; F644-P1399 HydrophobicContact CD2-CB 4.08Å; F644-P1399 HydrophobicContact CE1-CB 4.27Å; F644-P1399 HydrophobicContact CE2-CB 3.54Å; F644-P1399 HydrophobicContact CZ-CB 3.66Å; F644-P1399 HydrophobicContact CZ-CG 4.41Å; F644-L1402 HydrophobicContact CE2-CD2 3.73Å; F644-L1402 HydrophobicContact CZ-CD2 3.9Å
645M76.9Confident75.3Confident49 Ų4965.7 Ų65.724%0.24131%0.312CS..Hα-helixtrans-62.2-38.6177.7-82.7-65.9179.100113.2Y641 F642 F648 I649Y641-M645 HydrophobicContact CD1-CG 4.21Å; Y641-M645 HydrophobicContact CE1-CE 4.05Å; Y641-M645 HydrophobicContact CE1-CG 3.84Å; Y641-M645 HydrophobicContact CE2-CE 4.43Å; Y641-M645 PolarHBondContact O-N 3.42Å; Y641-M645 WeakPolarHBondContact OH-CE 3.49Å; F642-M645 PolarHBondContact O-N 3.38Å; M645-F648 PolarHBondContact O-N 2.8Å; M645-I649 WeakPolarHBondContact O-CG1 3.26Å; M645-I649 PolarHBondContact O-N 3Å
646L80.8Confident77.6Confident29 Ų2960.1 Ų60.115%0.15228%0.279CS..Hα-helixtrans-64.7-44.1175.4-170.874.3000111.7F642 I643 F644 F650 L689 V693F642-L646 HydrophobicContact CZ-CB 4.24Å; F642-L646 HydrophobicContact CZ-CD1 4.21Å; F642-L646 HydrophobicContact CZ-CD2 4.48Å; F642-L646 PolarHBondContact O-N 3.18Å; I643-L646 PolarHBondContact O-N 2.96Å; F644-L646 VanDerWaalsContact C-N 3.34Å; F644-L646 PolarHBondContact O-N 3.41Å; L646-F650 WeakPolarHBondContact O-CB 3.22Å; L646-F650 PolarHBondContact O-N 3.42Å; L646-L689 HydrophobicContact CD1-CD1 3.78Å; L646-L689 HydrophobicContact CG-CD1 4.39Å; L646-V693 HydrophobicContact CD1-CG2 3.76Å; L646-V693 HydrophobicContact CD2-CB 4.39Å; L646-V693 HydrophobicContact CD2-CG1 3.77Å; L646-V693 HydrophobicContact CD2-CG2 3.72Å; L646-V693 HydrophobicContact CG-CG2 4.35Å
647Y83.3Confident79.4Confident116 Ų11656.9 Ų56.946%0.45526%0.263SS..Hα-helixtrans-65.7-38.1176.2178.4-110.8000112.1I643 F644 F650 L651I643-Y647 WeakPolarHBondContact O-CB 3.5Å; I643-Y647 PolarHBondContact O-N 3.11Å; F644-Y647 PolarHBondContact O-N 2.68Å; Y647-F650 WeakPolarHBondContact O-CB 3.15Å; Y647-F650 PolarHBondContact O-N 2.93Å; Y647-L651 HydrophobicContact CD1-CD1 3.98Å; Y647-L651 HydrophobicContact CD1-CG 4.42Å; Y647-L651 HydrophobicContact CE1-CD1 3.41Å; Y647-L651 VanDerWaalsContact CE1-CD1 3.41Å; Y647-L651 HydrophobicContact CE1-CG 4.05Å; Y647-L651 HydrophobicContact CE2-CD1 4.36Å; Y647-L651 HydrophobicContact CE2-CD2 4.28Å; Y647-L651 HydrophobicContact CE2-CG 4.14Å; Y647-L651 WeakPolarHBondContact O-CG 3.4Å; Y647-L651 PolarHBondContact O-N 3.39Å
648F85.1Confident80.9Confident4 Ų453.5 Ų53.52%0.01824%0.241CC..Hα-helixtrans-61.5-49.4175.1-178.5-97.9000111.9F644 M645 F650 L651 Q652 I1395 N1397 L1402F644-F648 HydrophobicContact CZ-CD2 4.4Å; F644-F648 VanDerWaalsContact O-CB 3.29Å; F644-F648 WeakPolarHBondContact O-CB 3.49Å; F644-F648 PolarHBondContact O-N 2.84Å; M645-F648 PolarHBondContact O-N 2.8Å; F648-F650 VanDerWaalsContact C-N 3.32Å; F648-F650 PolarHBondContact O-N 3.38Å; F648-L651 PolarHBondContact O-N 3.38Å; F648-Q652 HydrophobicContact CD1-CG 4.46Å; F648-Q652 HydrophobicContact CE1-CG 4.1Å; F648-Q652 VanDerWaalsContact CE1-NE2 3.29Å; F648-Q652 HydrophobicContact CZ-CG 4.19Å; F648-Q652 VanDerWaalsContact CZ-NE2 3.28Å; F648-Q652 WeakPolarHBondContact O-CG 3.4Å; F648-Q652 PolarHBondContact O-N 3.5Å; F648-I1395 HydrophobicContact CD2-CG2 3.95Å; F648-I1395 HydrophobicContact CE2-CG2 3.58Å; F648-I1395 HydrophobicContact CZ-CG2 4.22Å; F648-N1397 WeakPolarHBondContact CZ-OD1 3.37Å; F648-L1402 HydrophobicContact CD2-CD2 4.3Å
649I84.9Confident82.5Confident40 Ų4045.3 Ų45.321%0.20521%0.209CC..Hα-helixtrans-60-42.6174.8-68165000110.9Y580 M645 Q652 V653Y580-I649 HydrophobicContact CE1-CG2 4.43Å; M645-I649 WeakPolarHBondContact O-CG1 3.26Å; M645-I649 PolarHBondContact O-N 3Å; I649-Q652 PolarHBondContact O-N 2.84Å; I649-V653 WeakPolarHBondContact O-CG2 3.35Å; I649-V653 PolarHBondContact O-N 3.15Å; I649-V653 VanDerWaalsContact O-N 3.13Å
650F89.3Confident84Confident52 Ų5242.3 Ų42.323%0.22820%0.196CC..Hα-helixtrans-59.8-48.8176172.8-101.2000111.8L646 Y647 F648 Q652 V653 I654 F685 T686 L689L646-F650 WeakPolarHBondContact O-CB 3.22Å; L646-F650 PolarHBondContact O-N 3.42Å; Y647-F650 WeakPolarHBondContact O-CB 3.15Å; Y647-F650 PolarHBondContact O-N 2.93Å; F648-F650 VanDerWaalsContact C-N 3.32Å; F648-F650 PolarHBondContact O-N 3.38Å; F650-Q652 PolarHBondContact O-N 3.07Å; F650-V653 PolarHBondContact O-N 2.92Å; F650-I654 HydrophobicContact CD1-CG1 4.39Å; F650-I654 HydrophobicContact CD2-CG1 3.94Å; F650-I654 HydrophobicContact CE1-CG1 4.08Å; F650-I654 HydrophobicContact CE2-CD1 3.97Å; F650-I654 HydrophobicContact CE2-CG1 3.6Å; F650-I654 HydrophobicContact CG-CG1 4.33Å; F650-I654 HydrophobicContact CZ-CD1 4.2Å; F650-I654 HydrophobicContact CZ-CG1 3.69Å; F650-I654 WeakPolarHBondContact O-CB 3.45Å; F650-I654 VanDerWaalsContact O-CG1 3.26Å; F650-I654 WeakPolarHBondContact O-CG1 3.33Å; F650-I654 PolarHBondContact O-N 3.48Å; F650-F685 HydrophobicContact CD2-CD1 4.33Å; F650-F685 AromaticContact CD2-CE1 3.71Å; F650-F685 HydrophobicContact CD2-CE1 3.71Å; F650-F685 HydrophobicContact CE2-CE1 4.34Å; F650-T686 HydrophobicContact CE2-CG2 4.16Å; F650-L689 HydrophobicContact CB-CD2 4Å; F650-L689 HydrophobicContact CD2-CD2 3.63Å; F650-L689 HydrophobicContact CE2-CD2 4.49Å; F650-L689 HydrophobicContact CG-CD2 4.13Å
651L89.2Confident85.3Confident31 Ų3140.4 Ų40.416%0.16218%0.182CC..Hα-helixtrans-60.3-44177.2-75.8-178.5000112.1Y647 F648 V653 I654 Y655 I1395 L1402 I1406Y647-L651 HydrophobicContact CD1-CD1 3.98Å; Y647-L651 HydrophobicContact CD1-CG 4.42Å; Y647-L651 HydrophobicContact CE1-CD1 3.41Å; Y647-L651 VanDerWaalsContact CE1-CD1 3.41Å; Y647-L651 HydrophobicContact CE1-CG 4.05Å; Y647-L651 HydrophobicContact CE2-CD1 4.36Å; Y647-L651 HydrophobicContact CE2-CD2 4.28Å; Y647-L651 HydrophobicContact CE2-CG 4.14Å; Y647-L651 WeakPolarHBondContact O-CG 3.4Å; Y647-L651 PolarHBondContact O-N 3.39Å; F648-L651 PolarHBondContact O-N 3.38Å; L651-V653 PolarHBondContact O-N 3.3Å; L651-I654 PolarHBondContact O-N 3.02Å; L651-Y655 WeakPolarHBondContact O-CB 3.3Å; L651-Y655 PolarHBondContact O-N 2.88Å; L651-I1395 HydrophobicContact CB-CD1 4Å; L651-I1395 HydrophobicContact CB-CG2 4.43Å; L651-I1395 WeakPolarHBondContact O-CD1 3.48Å; L651-L1402 HydrophobicContact CD1-CD1 4.31Å; L651-L1402 HydrophobicContact CD1-CD2 4.09Å; L651-I1406 HydrophobicContact CD1-CD1 3.91Å
652Q89.1Confident86.2Confident30 Ų3037.4 Ų37.414%0.1417%0.172CC..Hα-helixtrans-59.2-47.6178.6-75.8-168.7-34.400112.2F648 I649 F650 Y655 R656 I1395F648-Q652 HydrophobicContact CD1-CG 4.46Å; F648-Q652 HydrophobicContact CE1-CG 4.1Å; F648-Q652 VanDerWaalsContact CE1-NE2 3.29Å; F648-Q652 HydrophobicContact CZ-CG 4.19Å; F648-Q652 VanDerWaalsContact CZ-NE2 3.28Å; F648-Q652 WeakPolarHBondContact O-CG 3.4Å; F648-Q652 PolarHBondContact O-N 3.5Å; I649-Q652 PolarHBondContact O-N 2.84Å; F650-Q652 PolarHBondContact O-N 3.07Å; Q652-Y655 PolarHBondContact O-N 3.37Å; Q652-R656 WeakPolarHBondContact O-CB 3.39Å; Q652-R656 PolarHBondContact O-N 3.2Å; Q652-I1395 HydrophobicContact CG-CG2 3.82Å
653V89.5Confident87.2Confident32 Ų3236.1 Ų36.119%0.19417%0.168CC..Hα-helixtrans-69.3-43.1-179.6176.20000111.6I649 F650 L651 Y655 R656 F657 F685I649-V653 WeakPolarHBondContact O-CG2 3.35Å; I649-V653 PolarHBondContact O-N 3.15Å; I649-V653 VanDerWaalsContact O-N 3.13Å; F650-V653 PolarHBondContact O-N 2.92Å; L651-V653 PolarHBondContact O-N 3.3Å; V653-Y655 VanDerWaalsContact C-N 3.35Å; V653-Y655 PolarHBondContact O-N 2.89Å; V653-R656 PolarHBondContact O-N 2.98Å; V653-F657 HydrophobicContact CG1-CD2 4.04Å; V653-F657 HydrophobicContact CG1-CE1 4.4Å; V653-F657 HydrophobicContact CG1-CE2 3.41Å; V653-F657 VanDerWaalsContact CG1-CE2 3.41Å; V653-F657 HydrophobicContact CG1-CZ 3.63Å; V653-F657 WeakPolarHBondContact O-CG 3.36Å; V653-F657 PolarHBondContact O-N 3.11Å; V653-F657 VanDerWaalsContact O-N 3.11Å; V653-F685 HydrophobicContact CB-CD1 4.3Å; V653-F685 HydrophobicContact CB-CE1 3.62Å; V653-F685 HydrophobicContact CB-CE2 4.14Å; V653-F685 HydrophobicContact CB-CZ 3.54Å; V653-F685 HydrophobicContact CG1-CD1 3.76Å; V653-F685 HydrophobicContact CG1-CD2 3.93Å; V653-F685 HydrophobicContact CG1-CE1 3.58Å; V653-F685 HydrophobicContact CG1-CE2 3.77Å; V653-F685 HydrophobicContact CG1-CG 3.93Å; V653-F685 HydrophobicContact CG1-CZ 3.59Å; V653-F685 HydrophobicContact CG2-CE1 4.4Å; V653-F685 HydrophobicContact CG2-CE2 4.19Å; V653-F685 HydrophobicContact CG2-CZ 3.8Å
654I90.9Very high88.1Confident36 Ų3632.2 Ų32.219%0.18515%0.148CC..Hα-helixtrans-63-41.4176.2-69.4-65.1000110.9F650 L651 F657 N658 F685F650-I654 HydrophobicContact CD1-CG1 4.39Å; F650-I654 HydrophobicContact CD2-CG1 3.94Å; F650-I654 HydrophobicContact CE1-CG1 4.08Å; F650-I654 HydrophobicContact CE2-CD1 3.97Å; F650-I654 HydrophobicContact CE2-CG1 3.6Å; F650-I654 HydrophobicContact CG-CG1 4.33Å; F650-I654 HydrophobicContact CZ-CD1 4.2Å; F650-I654 HydrophobicContact CZ-CG1 3.69Å; F650-I654 WeakPolarHBondContact O-CB 3.45Å; F650-I654 VanDerWaalsContact O-CG1 3.26Å; F650-I654 WeakPolarHBondContact O-CG1 3.33Å; F650-I654 PolarHBondContact O-N 3.48Å; L651-I654 PolarHBondContact O-N 3.02Å; I654-F657 PolarHBondContact O-N 2.88Å; I654-N658 VanDerWaalsContact O-CB 3.25Å; I654-N658 WeakPolarHBondContact O-CB 3.37Å; I654-N658 PolarHBondContact O-N 2.86Å; I654-N658 PolarHBondContact O-ND2 3.4Å; I654-F685 HydrophobicContact CD1-CD1 3.99Å; I654-F685 HydrophobicContact CD1-CE1 4.46Å; I654-F685 HydrophobicContact CG1-CD1 4.32Å; I654-F685 HydrophobicContact CG1-CE1 4.3Å
655Y92.4Very high88.7Confident20 Ų2031.3 Ų31.38%0.07815%0.146CC..Hα-helixtrans-59.1-49.4173.2173.3-87.5000111.8L651 Q652 V653 F657 N658 F659 L1390 Q1391 I1394 I1395L651-Y655 WeakPolarHBondContact O-CB 3.3Å; L651-Y655 PolarHBondContact O-N 2.88Å; Q652-Y655 PolarHBondContact O-N 3.37Å; V653-Y655 VanDerWaalsContact C-N 3.35Å; V653-Y655 PolarHBondContact O-N 2.89Å; Y655-F657 PolarHBondContact O-N 3.19Å; Y655-N658 PolarHBondContact O-N 2.86Å; Y655-N658 VanDerWaalsContact O-N 3.13Å; Y655-F659 HydrophobicContact CD2-CB 3.89Å; Y655-F659 HydrophobicContact CD2-CD2 4.17Å; Y655-F659 HydrophobicContact CD2-CG 4.27Å; Y655-F659 HydrophobicContact CE1-CB 4.18Å; Y655-F659 HydrophobicContact CE1-CG 4.39Å; Y655-F659 HydrophobicContact CE2-CB 3.54Å; Y655-F659 HydrophobicContact CE2-CD1 4.33Å; Y655-F659 AromaticContact CE2-CD2 3.29Å; Y655-F659 HydrophobicContact CE2-CD2 3.29Å; Y655-F659 HydrophobicContact CE2-CE2 4.04Å; Y655-F659 AromaticContact CE2-CG 3.45Å; Y655-F659 HydrophobicContact CE2-CG 3.45Å; Y655-F659 VanDerWaalsContact CE2-CG 3.45Å; Y655-F659 HydrophobicContact CG-CB 4.33Å; Y655-F659 AromaticContact CZ-CD1 3.95Å; Y655-F659 AromaticContact CZ-CD2 3.74Å; Y655-F659 AromaticContact CZ-CG 3.49Å; Y655-F659 VanDerWaalsContact CZ-CG 3.49Å; Y655-F659 WeakPolarHBondContact O-CB 3.26Å; Y655-F659 PolarHBondContact O-N 3.47Å; Y655-F659 WeakPolarHBondContact OH-CD1 3.48Å; Y655-F659 WeakPolarHBondContact OH-CG 3.12Å; Y655-L1390 WeakPolarHBondContact OH-CB 3.19Å; Y655-Q1391 HydrophobicContact CD1-CB 3.87Å; Y655-Q1391 HydrophobicContact CD1-CG 3.76Å; Y655-Q1391 HydrophobicContact CE1-CB 3.55Å; Y655-Q1391 HydrophobicContact CE1-CG 4Å; Y655-I1394 HydrophobicContact CD2-CG2 4.24Å; Y655-I1394 HydrophobicContact CE2-CB 4.2Å; Y655-I1394 HydrophobicContact CE2-CD1 3.61Å; Y655-I1394 HydrophobicContact CE2-CG1 4.48Å; Y655-I1394 HydrophobicContact CE2-CG2 4.15Å; Y655-I1395 VanDerWaalsContact CB-CD1 3.41Å; Y655-I1395 HydrophobicContact CD2-CD1 4.16Å; Y655-I1395 HydrophobicContact CG-CD1 3.79Å
656R91.5Very high89.2Confident47 Ų4730.2 Ų30.218%0.17714%0.142CC..Hα-helixtrans-58.4-33.8-179174.861-166.7131.213.9112.7Q652 V653 E1340 H1384 T1387Q652-R656 WeakPolarHBondContact O-CB 3.39Å; Q652-R656 PolarHBondContact O-N 3.2Å; V653-R656 PolarHBondContact O-N 2.98Å; R656-E1340 IonicContact CZ-OE1 3.75Å; R656-E1340 IonicContact CZ-OE2 3.16Å; R656-E1340 IonicContact NH1-OE1 3.3Å; R656-E1340 PolarHBondContact NH1-OE1 3.21Å; R656-E1340 VanDerWaalsContact NH2-CD 3.3Å; R656-E1340 IonicContact NH2-OE1 2.95Å; R656-E1340 PolarHBondContact NH2-OE1 3.42Å; R656-E1340 IonicContact NH2-OE2 3.26Å; R656-E1340 PolarHBondContact NH2-OE2 3.44Å; R656-H1384 PolarHBondContact NH2-ND1 3.47Å; R656-T1387 PolarHBondContact NH1-OG1 3.03Å; R656-T1387 VanDerWaalsContact NH1-OG1 3.12Å
657F90.4Very high89.6Confident25 Ų2528.9 Ų28.911%0.1113%0.134CC..Hα-helixtrans-81.2-38174.4-60.8-26.2000113.6H577 V653 I654 Y655 I678 V681 F685 L1339H577-F657 AromaticContact NE2-CZ 3.92Å; V653-F657 HydrophobicContact CG1-CD2 4.04Å; V653-F657 HydrophobicContact CG1-CE1 4.4Å; V653-F657 HydrophobicContact CG1-CE2 3.41Å; V653-F657 VanDerWaalsContact CG1-CE2 3.41Å; V653-F657 HydrophobicContact CG1-CZ 3.63Å; V653-F657 WeakPolarHBondContact O-CG 3.36Å; V653-F657 PolarHBondContact O-N 3.11Å; V653-F657 VanDerWaalsContact O-N 3.11Å; I654-F657 PolarHBondContact O-N 2.88Å; Y655-F657 PolarHBondContact O-N 3.19Å; F657-I678 HydrophobicContact CB-CG2 4.48Å; F657-I678 WeakPolarHBondContact O-CG2 3.18Å; F657-V681 HydrophobicContact CD2-CG1 3.98Å; F657-V681 HydrophobicContact CE1-CG1 4.36Å; F657-V681 HydrophobicContact CE2-CG1 3.68Å; F657-V681 HydrophobicContact CG-CG1 4.44Å; F657-V681 HydrophobicContact CZ-CG1 3.89Å; F657-F685 HydrophobicContact CE2-CB 4.2Å; F657-F685 HydrophobicContact CE2-CG 4.4Å; F657-L1339 HydrophobicContact CB-CD1 4.31Å; F657-L1339 HydrophobicContact CD1-CD1 3.78Å; F657-L1339 HydrophobicContact CG-CD1 4.39Å
658N91.5Very high89.8Confident5 Ų523.3 Ų23.33%0.02711%0.113CC..Hα-helixtrans-107-23.3-161.7-66-74.2000115.6I654 Y655 F660 V661 F662 Y672 I678 S682I654-N658 VanDerWaalsContact O-CB 3.25Å; I654-N658 WeakPolarHBondContact O-CB 3.37Å; I654-N658 PolarHBondContact O-N 2.86Å; I654-N658 PolarHBondContact O-ND2 3.4Å; Y655-N658 PolarHBondContact O-N 2.86Å; Y655-N658 VanDerWaalsContact O-N 3.13Å; N658-F660 VanDerWaalsContact C-N 3.31Å; N658-F660 PolarHBondContact O-N 3.05Å; N658-V661 PolarHBondContact O-N 2.91Å; N658-V661 VanDerWaalsContact O-N 3.07Å; N658-F662 HydrophobicContact CB-CD2 3.87Å; N658-F662 HydrophobicContact CB-CE2 3.66Å; N658-F662 VanDerWaalsContact O-CD2 3.29Å; N658-F662 WeakPolarHBondContact O-CD2 3.36Å; N658-F662 PolarHBondContact O-N 3.25Å; N658-Y672 WeakPolarHBondContact OD1-CE2 3.49Å; N658-Y672 PolarHBondContact OD1-OH 3.31Å; N658-I678 WeakPolarHBondContact OD1-CG2 3.34Å; N658-S682 PolarHBondContact ND2-OG 2.99Å
659F92.3Very high89.7Confident23 Ų2325.7 Ų25.710%0.10113%0.125CC..Hα-helixtrans-58-42.6-175176.6-98.2000112.9F476 Y655 V661 F662 G663 T1387 L1390 I1394 F1409F476-F659 HydrophobicContact CD1-CE1 4.44Å; F476-F659 HydrophobicContact CD2-CE1 4.29Å; F476-F659 AromaticContact CE1-CE1 3.9Å; F476-F659 HydrophobicContact CE1-CE1 3.9Å; F476-F659 HydrophobicContact CE1-CZ 4.19Å; F476-F659 HydrophobicContact CE2-CD1 4.22Å; F476-F659 AromaticContact CE2-CE1 3.74Å; F476-F659 HydrophobicContact CE2-CE1 3.74Å; F476-F659 AromaticContact CZ-CD1 3.99Å; F476-F659 HydrophobicContact CZ-CD1 3.99Å; F476-F659 AromaticContact CZ-CE1 3.49Å; F476-F659 HydrophobicContact CZ-CE1 3.49Å; F476-F659 VanDerWaalsContact CZ-CE1 3.49Å; F476-F659 HydrophobicContact CZ-CZ 4.22Å; Y655-F659 HydrophobicContact CD2-CB 3.89Å; Y655-F659 HydrophobicContact CD2-CD2 4.17Å; Y655-F659 HydrophobicContact CD2-CG 4.27Å; Y655-F659 HydrophobicContact CE1-CB 4.18Å; Y655-F659 HydrophobicContact CE1-CG 4.39Å; Y655-F659 HydrophobicContact CE2-CB 3.54Å; Y655-F659 HydrophobicContact CE2-CD1 4.33Å; Y655-F659 AromaticContact CE2-CD2 3.29Å; Y655-F659 HydrophobicContact CE2-CD2 3.29Å; Y655-F659 HydrophobicContact CE2-CE2 4.04Å; Y655-F659 AromaticContact CE2-CG 3.45Å; Y655-F659 HydrophobicContact CE2-CG 3.45Å; Y655-F659 VanDerWaalsContact CE2-CG 3.45Å; Y655-F659 HydrophobicContact CG-CB 4.33Å; Y655-F659 AromaticContact CZ-CD1 3.95Å; Y655-F659 AromaticContact CZ-CD2 3.74Å; Y655-F659 AromaticContact CZ-CG 3.49Å; Y655-F659 VanDerWaalsContact CZ-CG 3.49Å; Y655-F659 WeakPolarHBondContact O-CB 3.26Å; Y655-F659 PolarHBondContact O-N 3.47Å; Y655-F659 WeakPolarHBondContact OH-CD1 3.48Å; Y655-F659 WeakPolarHBondContact OH-CG 3.12Å; F659-V661 VanDerWaalsContact C-N 3.34Å; F659-V661 PolarHBondContact O-N 3.42Å; F659-F662 PolarHBondContact O-N 3.31Å; F659-G663 PolarHBondContact O-N 3.02Å; F659-T1387 HydrophobicContact CD1-CG2 3.98Å; F659-L1390 HydrophobicContact CE1-CD1 3.75Å; F659-L1390 HydrophobicContact CZ-CD1 3.84Å; F659-I1394 HydrophobicContact CD2-CD1 4.22Å; F659-I1394 HydrophobicContact CE2-CD1 3.74Å; F659-I1394 HydrophobicContact CZ-CD1 4.41Å; F659-F1409 HydrophobicContact CE2-CE2 4.47Å
660F94.2Very high89.5Confident3 Ų325.9 Ų25.91%0.01312%0.124CC..Hα-helixtrans-63.9-40.5177.5-177.8-146.7000111.9F476 M480 F483 N658 G663 L664 I1343 A1344 V1383 T1387F476-F660 HydrophobicContact CE2-CD2 4.11Å; F476-F660 HydrophobicContact CZ-CD2 4.28Å; M480-F660 HydrophobicContact CE-CD2 3.58Å; M480-F660 HydrophobicContact CE-CE2 3.67Å; F483-F660 AromaticContact CE2-CE2 3.85Å; F483-F660 HydrophobicContact CE2-CE2 3.85Å; F483-F660 AromaticContact CE2-CZ 3.81Å; F483-F660 HydrophobicContact CE2-CZ 3.81Å; F483-F660 HydrophobicContact CZ-CZ 4.45Å; N658-F660 VanDerWaalsContact C-N 3.31Å; N658-F660 PolarHBondContact O-N 3.05Å; F660-G663 PolarHBondContact O-N 3.25Å; F660-L664 HydrophobicContact CD2-CD1 4.22Å; F660-L664 HydrophobicContact CE1-CD1 4.3Å; F660-L664 HydrophobicContact CE2-CD1 3.86Å; F660-L664 HydrophobicContact CE2-CG 4.23Å; F660-L664 HydrophobicContact CZ-CD1 3.9Å; F660-L664 PolarHBondContact O-N 2.71Å; F660-L664 VanDerWaalsContact O-N 3.14Å; F660-I1343 HydrophobicContact CD1-CB 4.18Å; F660-I1343 HydrophobicContact CD1-CD1 3.7Å; F660-I1343 HydrophobicContact CD1-CG2 4.32Å; F660-I1343 HydrophobicContact CE1-CB 3.82Å; F660-I1343 HydrophobicContact CE1-CD1 4.23Å; F660-I1343 HydrophobicContact CE1-CG2 3.97Å; F660-I1343 HydrophobicContact CZ-CG2 4.5Å; F660-A1344 HydrophobicContact CE1-CB 4.4Å; F660-A1344 HydrophobicContact CZ-CB 4.21Å; F660-V1383 HydrophobicContact CB-CG1 4.46Å; F660-V1383 HydrophobicContact CD1-CG1 3.94Å; F660-V1383 HydrophobicContact CD2-CG1 3.67Å; F660-V1383 HydrophobicContact CE1-CG1 4.05Å; F660-V1383 HydrophobicContact CE2-CG1 3.81Å; F660-V1383 HydrophobicContact CE2-CG2 4.23Å; F660-V1383 HydrophobicContact CG-CG1 3.77Å; F660-V1383 HydrophobicContact CZ-CG1 4.01Å; F660-V1383 HydrophobicContact CZ-CG2 4.37Å; F660-T1387 HydrophobicContact CB-CG2 4.44Å
661V91.9Very high89Confident0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-68-42.2177.3-178.50000111.9N658 F659 G663 L664 C665 Y672 Y675 I678 I1343N658-V661 PolarHBondContact O-N 2.91Å; N658-V661 VanDerWaalsContact O-N 3.07Å; F659-V661 VanDerWaalsContact C-N 3.34Å; F659-V661 PolarHBondContact O-N 3.42Å; V661-G663 VanDerWaalsContact C-N 3.32Å; V661-G663 PolarHBondContact O-N 2.82Å; V661-L664 CarbonylContact O-C 3.57Å; V661-L664 WeakPolarHBondContact O-CB 3.38Å; V661-L664 PolarHBondContact O-N 3.46Å; V661-L664 VanDerWaalsContact O-N 3.12Å; V661-C665 PolarHBondContact O-N 3.48Å; V661-C665 PolarHBondContact O-SG 2.91Å; V661-Y672 HydrophobicContact CG1-CD2 3.71Å; V661-Y672 HydrophobicContact CG1-CE2 4.07Å; V661-Y675 HydrophobicContact CG1-CD2 3.55Å; V661-Y675 HydrophobicContact CG1-CE2 4.33Å; V661-Y675 HydrophobicContact CG1-CG 3.91Å; V661-I678 HydrophobicContact CG2-CB 4.11Å; V661-I678 HydrophobicContact CG2-CG1 3.82Å; V661-I678 HydrophobicContact CG2-CG2 3.87Å; V661-I1343 HydrophobicContact CG2-CD1 3.59Å; V661-I1343 HydrophobicContact CG2-CG1 4.35Å
662F88.9Confident88.8Confident88 Ų8823.8 Ų23.839%0.38612%0.116SC..Hα-helixtrans-61.4-39.9177.3-79.1-60.2000112.3N658 F659 L664 C665 L666N658-F662 HydrophobicContact CB-CD2 3.87Å; N658-F662 HydrophobicContact CB-CE2 3.66Å; N658-F662 VanDerWaalsContact O-CD2 3.29Å; N658-F662 WeakPolarHBondContact O-CD2 3.36Å; N658-F662 PolarHBondContact O-N 3.25Å; F659-F662 PolarHBondContact O-N 3.31Å; F662-L664 VanDerWaalsContact C-N 3.35Å; F662-C665 PolarHBondContact O-N 2.95Å; F662-L666 WeakPolarHBondContact O-CG 3.44Å; F662-L666 PolarHBondContact O-N 3.46Å
663G90.3Very high88.5Confident6 Ų622.4 Ų22.46%0.06211%0.109CC..Hα-helixtrans-60.5-43.217200000112.5F659 F660 V661 V667F659-G663 PolarHBondContact O-N 3.02Å; F660-G663 PolarHBondContact O-N 3.25Å; V661-G663 VanDerWaalsContact C-N 3.32Å; V661-G663 PolarHBondContact O-N 2.82Å; G663-V667 WeakPolarHBondContact O-CB 3.48Å; G663-V667 WeakPolarHBondContact O-CG2 3.46Å; G663-V667 PolarHBondContact O-N 2.77Å; G663-V667 VanDerWaalsContact O-N 3.11Å
664L91.3Very high88.1Confident0 Ų022.5 Ų22.50%011%0.114CC..Hα-helixtrans-65.3-40.2174.7-80.9165.1000113.5M480 F483 F660 V661 F662 L666 V667 M668 Y675 I1343M480-L664 HydrophobicContact CE-CG 4.04Å; M480-L664 HydrophobicContact SD-CD2 3.92Å; M480-L664 HydrophobicContact SD-CG 3.96Å; F483-L664 HydrophobicContact CD2-CD2 3.81Å; F660-L664 HydrophobicContact CD2-CD1 4.22Å; F660-L664 HydrophobicContact CE1-CD1 4.3Å; F660-L664 HydrophobicContact CE2-CD1 3.86Å; F660-L664 HydrophobicContact CE2-CG 4.23Å; F660-L664 HydrophobicContact CZ-CD1 3.9Å; F660-L664 PolarHBondContact O-N 2.71Å; F660-L664 VanDerWaalsContact O-N 3.14Å; V661-L664 CarbonylContact O-C 3.57Å; V661-L664 WeakPolarHBondContact O-CB 3.38Å; V661-L664 PolarHBondContact O-N 3.46Å; V661-L664 VanDerWaalsContact O-N 3.12Å; F662-L664 VanDerWaalsContact C-N 3.35Å; L664-L666 VanDerWaalsContact C-N 3.32Å; L664-L666 PolarHBondContact O-N 3.27Å; L664-V667 PolarHBondContact O-N 3.39Å; L664-M668 HydrophobicContact CD2-CG 3.91Å; L664-M668 WeakPolarHBondContact O-CA 3.36Å; L664-M668 WeakPolarHBondContact O-CB 3.47Å; L664-M668 VanDerWaalsContact O-CG 3.26Å; L664-M668 WeakPolarHBondContact O-CG 3.32Å; L664-M668 PolarHBondContact O-N 3.23Å; L664-Y675 HydrophobicContact CB-CE2 4.25Å; L664-Y675 HydrophobicContact CD1-CE1 4.4Å; L664-I1343 HydrophobicContact CD1-CG2 3.19Å
665C88.3Confident88Confident21 Ų2121.3 Ų21.314%0.14211%0.107CC..Hα-helixtrans-60.1-43178.4-67.60000111.8V661 F662 N669 R670V661-C665 PolarHBondContact O-N 3.48Å; V661-C665 PolarHBondContact O-SG 2.91Å; F662-C665 PolarHBondContact O-N 2.95Å; C665-N669 WeakPolarHBondContact O-CA 3.41Å; C665-N669 PolarHBondContact O-N 3.37Å; C665-R670 WeakPolarHBondContact CB-O 3.1Å; C665-R670 PolarHBondContact O-N 2.94Å
666L87.4Confident87.8Confident27 Ų2721.8 Ų21.814%0.14111%0.109CC..Hα-helixtrans-65.6-47.3176.8-68.5171.9000112.1V383 Q384 F662 L664 F1413 I1416 T1417V383-L666 HydrophobicContact CG1-CD2 3.92Å; Q384-L666 WeakPolarHBondContact CG-O 3.32Å; F662-L666 WeakPolarHBondContact O-CG 3.44Å; F662-L666 PolarHBondContact O-N 3.46Å; L664-L666 VanDerWaalsContact C-N 3.32Å; L664-L666 PolarHBondContact O-N 3.27Å; L666-F1413 HydrophobicContact CD1-CD2 4.27Å; L666-F1413 HydrophobicContact CD1-CE2 4.17Å; L666-F1413 HydrophobicContact CD2-CE2 4.08Å; L666-F1413 HydrophobicContact CG-CE2 4.44Å; L666-I1416 HydrophobicContact CD2-CG2 4.28Å; L666-T1417 HydrophobicContact CD2-CG2 4.01Å
667V90.1Very high87.7Confident0 Ų019.8 Ų19.80%010%0.102CC..Hα-helixtrans-77.2-35-174.5170.90000112.5Q384 C387 F388 Y391 M480 F484 G663 L664Q384-V667 PolarHBondContact NE2-O 2.96Å; C387-V667 HydrophobicContact CB-CG2 4.5Å; F388-V667 HydrophobicContact CE1-CG1 3.93Å; F388-V667 HydrophobicContact CZ-CG1 3.86Å; Y391-V667 HydrophobicContact CE2-CG2 4.04Å; M480-V667 HydrophobicContact CB-CG1 4.27Å; M480-V667 HydrophobicContact CB-CG2 4.07Å; M480-V667 HydrophobicContact CG-CG2 4.45Å; F484-V667 HydrophobicContact CB-CG1 3.97Å; F484-V667 WeakPolarHBondContact CD2-O 3.32Å; G663-V667 WeakPolarHBondContact O-CB 3.48Å; G663-V667 WeakPolarHBondContact O-CG2 3.46Å; G663-V667 PolarHBondContact O-N 2.77Å; G663-V667 VanDerWaalsContact O-N 3.11Å; L664-V667 PolarHBondContact O-N 3.39Å
668M86.8Confident87.8Confident0 Ų018.6 Ų18.60%010%0.096CC..Hα-helixtrans-90-7.7-178-60.4-53.9-54.300114D487 R488 L664 R670D487-M668 HydrophobicContact CB-CE 3.76Å; D487-M668 WeakPolarHBondContact OD2-CE 3.5Å; R488-M668 HydrophobicContact CG-CE 3.76Å; R488-M668 PolarHBondContact NE-O 2.85Å; R488-M668 PolarHBondContact NH2-O 2.82Å; L664-M668 HydrophobicContact CD2-CG 3.91Å; L664-M668 WeakPolarHBondContact O-CA 3.36Å; L664-M668 WeakPolarHBondContact O-CB 3.47Å; L664-M668 VanDerWaalsContact O-CG 3.26Å; L664-M668 WeakPolarHBondContact O-CG 3.32Å; L664-M668 PolarHBondContact O-N 3.23Å; M668-R670 HydrophobicContact CB-CG 4.43Å
669N84.4Confident87.7Confident53 Ų5318.6 Ų18.628%0.28310%0.097SC..THydrogen-bonded Turntrans48.456.5-170.7-168.444000112.7T381 Q384 C665T381-N669 WeakPolarHBondContact CG2-ND2 3.16Å; Q384-N669 HydrophobicContact CG-CB 4.22Å; C665-N669 WeakPolarHBondContact O-CA 3.41Å; C665-N669 PolarHBondContact O-N 3.37Å
670R79.1Confident87.7Confident44 Ų4417.5 Ų17.517%0.1669%0.092CC..  trans-133.1141.5179.9-70.9-63.9-175.8-1202.4111.3C665 M668 A674 D1353C665-R670 WeakPolarHBondContact CB-O 3.1Å; C665-R670 PolarHBondContact O-N 2.94Å; M668-R670 HydrophobicContact CB-CG 4.43Å; R670-A674 HydrophobicContact CB-CB 4.36Å; R670-D1353 IonicContact CZ-OD1 3.13Å; R670-D1353 IonicContact CZ-OD2 3.98Å; R670-D1353 IonicContact NE-OD1 2.95Å; R670-D1353 PolarHBondContact NE-OD1 3.01Å; R670-D1353 IonicContact NE-OD2 3.83Å; R670-D1353 IonicContact NH2-OD1 3.66Å; R670-D1353 IonicContact NH2-OD2 3.03Å; R670-D1353 PolarHBondContact NH2-OD2 2.88Å
671G79.9Confident87.6Confident12 Ų1217.4 Ų17.412%0.1249%0.091CC..  trans-63.9146.1176.200000111.8L673 A674G671-L673 PolarHBondContact O-N 2.86Å; G671-L673 VanDerWaalsContact O-N 3.11Å; G671-A674 WeakPolarHBondContact O-CB 3.36Å; G671-A674 PolarHBondContact O-N 3.45Å
672Y83.5Confident87.7Confident28 Ų2817.8 Ų17.811%0.119%0.094CC..G310 helixtrans-58.3-27.3-174.9168.1-106.8000113.7N658 V661 A674 Y675 I678 P679 I1056N658-Y672 WeakPolarHBondContact OD1-CE2 3.49Å; N658-Y672 PolarHBondContact OD1-OH 3.31Å; V661-Y672 HydrophobicContact CG1-CD2 3.71Å; V661-Y672 HydrophobicContact CG1-CE2 4.07Å; Y672-A674 PolarHBondContact O-N 2.68Å; Y672-Y675 PolarHBondContact O-N 3.11Å; Y672-I678 HydrophobicContact CE2-CG2 4.41Å; Y672-P679 HydrophobicContact CD1-CB 4.34Å; Y672-P679 HydrophobicContact CD1-CG 3.86Å; Y672-P679 HydrophobicContact CE1-CB 3.53Å; Y672-P679 HydrophobicContact CE1-CG 3.42Å; Y672-P679 VanDerWaalsContact CE1-CG 3.42Å; Y672-P679 HydrophobicContact CE2-CG 4.33Å; Y672-P679 WeakPolarHBondContact OH-CA 3.32Å; Y672-I1056 HydrophobicContact CD1-CG2 3.3Å; Y672-I1056 WeakPolarHBondContact CD1-O 3.4Å; Y672-I1056 HydrophobicContact CE1-CG2 3.46Å; Y672-I1056 VanDerWaalsContact CE1-CG2 3.46Å; Y672-I1056 HydrophobicContact CG-CG2 4.27Å
673L83.3Confident87.8Confident0 Ų015.5 Ų15.50%08%0.084CC..G310 helixtrans-65.1-13.7172.9-167.262.2000114.2G671 Y675 Y676 F1057 Y1059 V1078 W1079 R1082G671-L673 PolarHBondContact O-N 2.86Å; G671-L673 VanDerWaalsContact O-N 3.11Å; L673-Y675 VanDerWaalsContact C-N 3.29Å; L673-Y675 PolarHBondContact O-N 3.12Å; L673-Y676 WeakPolarHBondContact O-CB 3.24Å; L673-Y676 PolarHBondContact O-N 3Å; L673-F1057 WeakPolarHBondContact CD2-O 3.32Å; L673-Y1059 HydrophobicContact CB-CD2 4.49Å; L673-V1078 HydrophobicContact CD2-CB 4.4Å; L673-V1078 HydrophobicContact CD2-CG1 3.96Å; L673-V1078 HydrophobicContact CG-CG1 4.44Å; L673-W1079 HydrophobicContact CD1-CB 4.15Å; L673-W1079 HydrophobicContact CD1-CD2 4.15Å; L673-W1079 HydrophobicContact CD1-CE3 3.64Å; L673-W1079 HydrophobicContact CD1-CG 4.39Å; L673-W1079 HydrophobicContact CD1-CZ3 4.4Å; L673-W1079 HydrophobicContact CD2-CB 4.03Å; L673-R1082 PolarHBondContact O-NH1 2.8Å
674A82Confident88Confident35 Ų3515.2 Ų15.229%0.2898%0.081SC..G310 helixtrans-57.1-44.4169.700000111.1R670 G671 Y672 Y676 Y1059R670-A674 HydrophobicContact CB-CB 4.36Å; G671-A674 WeakPolarHBondContact O-CB 3.36Å; G671-A674 PolarHBondContact O-N 3.45Å; Y672-A674 PolarHBondContact O-N 2.68Å; A674-Y676 PolarHBondContact O-N 2.96Å; A674-Y1059 HydrophobicContact CB-CE2 4.38Å
675Y88.2Confident88.1Confident11 Ų1115.3 Ų15.34%0.0438%0.082CC..G310 helixtrans-89.935-179.4-51.2-78.9000112.6V661 L664 Y672 L673 F677 I678 P679 I1343 Y1346 H1347V661-Y675 HydrophobicContact CG1-CD2 3.55Å; V661-Y675 HydrophobicContact CG1-CE2 4.33Å; V661-Y675 HydrophobicContact CG1-CG 3.91Å; L664-Y675 HydrophobicContact CB-CE2 4.25Å; L664-Y675 HydrophobicContact CD1-CE1 4.4Å; Y672-Y675 PolarHBondContact O-N 3.11Å; L673-Y675 VanDerWaalsContact C-N 3.29Å; L673-Y675 PolarHBondContact O-N 3.12Å; Y675-F677 PolarHBondContact O-N 3.48Å; Y675-I678 PolarHBondContact O-N 3Å; Y675-P679 WeakPolarHBondContact O-CD 3.38Å; Y675-I1343 HydrophobicContact CD1-CG2 3.94Å; Y675-I1343 HydrophobicContact CE1-CG2 4.1Å; Y675-Y1346 HydrophobicContact CD1-CD2 4.47Å; Y675-H1347 AromaticContact CE1-NE2 3.6Å; Y675-H1347 AromaticContact CZ-NE2 3.93Å; Y675-H1347 PolarHBondContact OH-CE1 3.08Å; Y675-H1347 PolarHBondContact OH-NE2 3.32Å
676Y87.8Confident88.3Confident29 Ų2916.3 Ų16.311%0.1149%0.087CC..THydrogen-bonded Turntrans-41-31.8-162.275.2-78000118.5R563 L673 A674 I678 P679 L680 R1082R563-Y676 PolarHBondContact NH1-OH 2.96Å; L673-Y676 WeakPolarHBondContact O-CB 3.24Å; L673-Y676 PolarHBondContact O-N 3Å; A674-Y676 PolarHBondContact O-N 2.96Å; Y676-I678 PolarHBondContact O-N 3.05Å; Y676-P679 VanDerWaalsContact O-CD 3.31Å; Y676-P679 WeakPolarHBondContact O-CD 3.32Å; Y676-P679 WeakPolarHBondContact O-CG 3Å; Y676-L680 WeakPolarHBondContact O-CB 3.5Å; Y676-L680 PolarHBondContact O-N 2.98Å; Y676-L680 VanDerWaalsContact O-N 3.07Å; Y676-R1082 HydrophobicContact CD2-CB 3.99Å; Y676-R1082 HydrophobicContact CD2-CG 4.01Å; Y676-R1082 HydrophobicContact CE2-CG 4.38Å; Y676-R1082 HydrophobicContact CG-CG 4.41Å
677F91Very high88.5Confident5 Ų516 Ų162%0.0229%0.086CC..Hα-helixtrans-58.9-32.2178-177.1-119.9000112.2V566 Y569 Y675 L680 V681 F1342V566-F677 HydrophobicContact CG1-CD2 4.32Å; V566-F677 HydrophobicContact CG1-CE2 4.07Å; Y569-F677 HydrophobicContact CD1-CE1 4.25Å; Y569-F677 HydrophobicContact CD1-CE2 4.12Å; Y569-F677 AromaticContact CD1-CZ 3.39Å; Y569-F677 HydrophobicContact CD1-CZ 3.39Å; Y569-F677 HydrophobicContact CD2-CZ 4.36Å; Y569-F677 HydrophobicContact CE1-CE1 4.13Å; Y569-F677 AromaticContact CE1-CZ 3.72Å; Y569-F677 HydrophobicContact CE1-CZ 3.72Å; Y569-F677 AromaticContact CG-CZ 3.75Å; Y569-F677 HydrophobicContact CG-CZ 3.75Å; Y675-F677 PolarHBondContact O-N 3.48Å; F677-L680 PolarHBondContact O-N 3.16Å; F677-V681 HydrophobicContact CD2-CG2 4.38Å; F677-V681 HydrophobicContact CE1-CG2 4.29Å; F677-V681 HydrophobicContact CE2-CG2 4.12Å; F677-V681 HydrophobicContact CZ-CG2 4.1Å; F677-V681 VanDerWaalsContact O-CG2 3.32Å; F677-V681 WeakPolarHBondContact O-CG2 3.44Å; F677-V681 PolarHBondContact O-N 3.34Å; F677-F1342 HydrophobicContact CB-CD1 4.39Å; F677-F1342 HydrophobicContact CB-CE1 3.66Å; F677-F1342 HydrophobicContact CB-CZ 4.1Å; F677-F1342 AromaticContact CD1-CD1 3.74Å; F677-F1342 HydrophobicContact CD1-CD1 3.74Å; F677-F1342 AromaticContact CD1-CE1 3.77Å; F677-F1342 HydrophobicContact CD1-CE1 3.77Å; F677-F1342 HydrophobicContact CD1-CG 4.21Å; F677-F1342 HydrophobicContact CD1-CZ 4.25Å; F677-F1342 HydrophobicContact CE1-CD1 4.46Å; F677-F1342 HydrophobicContact CG-CD1 4.43Å; F677-F1342 HydrophobicContact CG-CE1 4Å; F677-F1342 HydrophobicContact CG-CZ 4.29Å
678I91.7Very high88.5Confident0 Ų016 Ų160%09%0.087CC..Hα-helixtrans-74.1-46.6-178.7-58.3-71000112.3F657 N658 V661 Y672 Y675 Y676 L680 V681 S682 L1339 I1343F657-I678 HydrophobicContact CB-CG2 4.48Å; F657-I678 WeakPolarHBondContact O-CG2 3.18Å; N658-I678 WeakPolarHBondContact OD1-CG2 3.34Å; V661-I678 HydrophobicContact CG2-CB 4.11Å; V661-I678 HydrophobicContact CG2-CG1 3.82Å; V661-I678 HydrophobicContact CG2-CG2 3.87Å; Y672-I678 HydrophobicContact CE2-CG2 4.41Å; Y675-I678 PolarHBondContact O-N 3Å; Y676-I678 PolarHBondContact O-N 3.05Å; I678-L680 VanDerWaalsContact C-N 3.27Å; I678-L680 PolarHBondContact O-N 3.41Å; I678-V681 PolarHBondContact O-N 3.47Å; I678-S682 VanDerWaalsContact O-CB 3.3Å; I678-S682 WeakPolarHBondContact O-CB 3.5Å; I678-S682 PolarHBondContact O-N 3.1Å; I678-S682 PolarHBondContact O-OG 2.99Å; I678-L1339 HydrophobicContact CD1-CD1 3.47Å; I678-L1339 VanDerWaalsContact CD1-CD1 3.47Å; I678-L1339 HydrophobicContact CD1-CD2 4.32Å; I678-L1339 HydrophobicContact CD1-CG 3.71Å; I678-I1343 HydrophobicContact CD1-CD1 3.87Å; I678-I1343 HydrophobicContact CD1-CG1 4.31Å; I678-I1343 HydrophobicContact CG1-CD1 4.09Å; I678-I1343 HydrophobicContact CG1-CG1 4.29Å
679P89.7Confident88.6Confident5 Ų516.8 Ų16.83%0.0329%0.091CC..Hα-helixtrans-55.7-39.5164.4-5.3-1.8000113.3Y672 Y675 Y676 S682 F683 W1079Y672-P679 HydrophobicContact CD1-CB 4.34Å; Y672-P679 HydrophobicContact CD1-CG 3.86Å; Y672-P679 HydrophobicContact CE1-CB 3.53Å; Y672-P679 HydrophobicContact CE1-CG 3.42Å; Y672-P679 VanDerWaalsContact CE1-CG 3.42Å; Y672-P679 HydrophobicContact CE2-CG 4.33Å; Y672-P679 WeakPolarHBondContact OH-CA 3.32Å; Y675-P679 WeakPolarHBondContact O-CD 3.38Å; Y676-P679 VanDerWaalsContact O-CD 3.31Å; Y676-P679 WeakPolarHBondContact O-CD 3.32Å; Y676-P679 WeakPolarHBondContact O-CG 3Å; P679-S682 PolarHBondContact O-N 3.39Å; P679-F683 VanDerWaalsContact O-CB 3.24Å; P679-F683 WeakPolarHBondContact O-CB 3.27Å; P679-F683 PolarHBondContact O-N 2.63Å; P679-W1079 HydrophobicContact CB-CH2 4.2Å; P679-W1079 HydrophobicContact CB-CZ3 4.36Å
680L92.2Very high88.8Confident0 Ų018 Ų180%010%0.097CC..Hα-helixtrans-66.2-44.6-179.4-170.860.6000112.5L570 Y676 F677 I678 W684 W1079L570-L680 HydrophobicContact CD1-CD2 3.83Å; L570-L680 HydrophobicContact CD1-CG 4.22Å; L570-L680 HydrophobicContact CD2-CG 4.41Å; Y676-L680 WeakPolarHBondContact O-CB 3.5Å; Y676-L680 PolarHBondContact O-N 2.98Å; Y676-L680 VanDerWaalsContact O-N 3.07Å; F677-L680 PolarHBondContact O-N 3.16Å; I678-L680 VanDerWaalsContact C-N 3.27Å; I678-L680 PolarHBondContact O-N 3.41Å; L680-W684 PolarHBondContact O-N 3.49Å; L680-W1079 HydrophobicContact CB-CH2 4.22Å; L680-W1079 HydrophobicContact CB-CZ3 4.31Å; L680-W1079 HydrophobicContact CD1-CH2 4.04Å; L680-W1079 HydrophobicContact CD1-CZ3 4.4Å
681V92.7Very high89.2Confident1 Ų116.8 Ų16.81%0.0069%0.094CC..Hα-helixtrans-64.8-42.7173.6171.40000111.1Y569 L570 F657 F677 I678 W684 F685Y569-V681 HydrophobicContact CD1-CG2 4.29Å; Y569-V681 HydrophobicContact CE1-CG2 3.93Å; L570-V681 HydrophobicContact CD2-CG2 3.86Å; F657-V681 HydrophobicContact CD2-CG1 3.98Å; F657-V681 HydrophobicContact CE1-CG1 4.36Å; F657-V681 HydrophobicContact CE2-CG1 3.68Å; F657-V681 HydrophobicContact CG-CG1 4.44Å; F657-V681 HydrophobicContact CZ-CG1 3.89Å; F677-V681 HydrophobicContact CD2-CG2 4.38Å; F677-V681 HydrophobicContact CE1-CG2 4.29Å; F677-V681 HydrophobicContact CE2-CG2 4.12Å; F677-V681 HydrophobicContact CZ-CG2 4.1Å; F677-V681 VanDerWaalsContact O-CG2 3.32Å; F677-V681 WeakPolarHBondContact O-CG2 3.44Å; F677-V681 PolarHBondContact O-N 3.34Å; I678-V681 PolarHBondContact O-N 3.47Å; V681-W684 PolarHBondContact O-N 3.44Å; V681-F685 WeakPolarHBondContact O-CB 3.48Å; V681-F685 PolarHBondContact O-N 2.88Å
682S92.3Very high89.3Confident9 Ų917.6 Ų17.66%0.06310%0.097CC..Hα-helixtrans-64.9-39.7178.5-59.30000112.4N658 I678 P679 T686N658-S682 PolarHBondContact ND2-OG 2.99Å; I678-S682 VanDerWaalsContact O-CB 3.3Å; I678-S682 WeakPolarHBondContact O-CB 3.5Å; I678-S682 PolarHBondContact O-N 3.1Å; I678-S682 PolarHBondContact O-OG 2.99Å; P679-S682 PolarHBondContact O-N 3.39Å; S682-T686 WeakPolarHBondContact O-CB 3.31Å; S682-T686 PolarHBondContact O-N 3.47Å; S682-T686 PolarHBondContact O-OG1 3.34Å
683F92.4Very high89Confident39 Ų3918 Ų1817%0.17110%0.102CC..Hα-helixtrans-59.9-52.2172170.5-93.8000110.9P679 F685 T686 V687 F1048 W1083P679-F683 VanDerWaalsContact O-CB 3.24Å; P679-F683 WeakPolarHBondContact O-CB 3.27Å; P679-F683 PolarHBondContact O-N 2.63Å; F683-F685 PolarHBondContact O-N 3.43Å; F683-T686 WeakPolarHBondContact O-CB 3.48Å; F683-T686 PolarHBondContact O-N 2.89Å; F683-T686 VanDerWaalsContact O-N 3.1Å; F683-V687 HydrophobicContact CD1-CG2 4.27Å; F683-V687 HydrophobicContact CD2-CG2 4.4Å; F683-V687 HydrophobicContact CE1-CG2 3.81Å; F683-V687 HydrophobicContact CE2-CG2 3.97Å; F683-V687 HydrophobicContact CZ-CG2 3.66Å; F683-V687 WeakPolarHBondContact O-CG2 3.36Å; F683-V687 PolarHBondContact O-N 3.03Å; F683-F1048 HydrophobicContact CD2-CE1 4.18Å; F683-F1048 HydrophobicContact CD2-CZ 4.08Å; F683-F1048 HydrophobicContact CE2-CE1 4.24Å; F683-F1048 AromaticContact CE2-CZ 3.75Å; F683-F1048 HydrophobicContact CE2-CZ 3.75Å; F683-W1083 AromaticContact CD1-NE1 4Å; F683-W1083 AromaticContact CE1-CD1 3.91Å; F683-W1083 AromaticContact CE1-NE1 3.29Å; F683-W1083 VanDerWaalsContact CE1-NE1 3.29Å; F683-W1083 AromaticContact CZ-NE1 3.61Å
684W93.9Very high88.1Confident1 Ų122.9 Ų22.90%0.00413%0.127CC..Hα-helixtrans-67.3-33.1-178-76.4120000113.7L680 V681 V687 T688 I1034 W1083 R1087 A1090 V1091L680-W684 PolarHBondContact O-N 3.49Å; V681-W684 PolarHBondContact O-N 3.44Å; W684-V687 HydrophobicContact CE3-CB 4.15Å; W684-V687 HydrophobicContact CE3-CG1 4.11Å; W684-V687 HydrophobicContact CE3-CG2 4.48Å; W684-V687 HydrophobicContact CZ3-CB 4.48Å; W684-V687 HydrophobicContact CZ3-CG1 4.04Å; W684-T688 WeakPolarHBondContact O-CB 3.22Å; W684-T688 PolarHBondContact O-N 3.49Å; W684-T688 PolarHBondContact O-OG1 3.39Å; W684-I1034 HydrophobicContact CH2-CD1 3.76Å; W684-I1034 HydrophobicContact CH2-CG1 4.28Å; W684-I1034 HydrophobicContact CZ3-CD1 4.12Å; W684-W1083 AromaticContact CZ2-NE1 3.98Å; W684-R1087 WeakPolarHBondContact CH2-O 3.41Å; W684-R1087 WeakPolarHBondContact CZ2-O 3.43Å; W684-A1090 HydrophobicContact CB-CB 3.83Å; W684-A1090 HydrophobicContact CD2-CB 3.55Å; W684-A1090 HydrophobicContact CE3-CB 3.75Å; W684-A1090 HydrophobicContact CG-CB 3.58Å; W684-V1091 HydrophobicContact CH2-CG2 4.08Å; W684-V1091 HydrophobicContact CZ3-CG2 3.72Å
685F93.7Very high86.7Confident1 Ų126.8 Ų26.80%0.00414%0.137CC..Hα-helixtrans-61.5-46.7168.3171.6-111.4000111.5H577 F581 F650 V653 I654 F657 V681 F683 V687 T688 L689H577-F685 HydrophobicContact CB-CD2 4.42Å; H577-F685 AromaticContact CD2-CD2 3.77Å; H577-F685 AromaticContact CE1-CD2 3.69Å; H577-F685 AromaticContact CE1-CE2 3.96Å; H577-F685 AromaticContact CG-CD2 3.74Å; H577-F685 AromaticContact ND1-CD2 3.69Å; H577-F685 AromaticContact ND1-CE2 3.78Å; H577-F685 AromaticContact NE2-CD2 3.75Å; F581-F685 HydrophobicContact CE2-CE2 4.13Å; F581-F685 HydrophobicContact CZ-CE2 4.1Å; F581-F685 HydrophobicContact CZ-CZ 4.49Å; F650-F685 HydrophobicContact CD2-CD1 4.33Å; F650-F685 AromaticContact CD2-CE1 3.71Å; F650-F685 HydrophobicContact CD2-CE1 3.71Å; F650-F685 HydrophobicContact CE2-CE1 4.34Å; V653-F685 HydrophobicContact CB-CD1 4.3Å; V653-F685 HydrophobicContact CB-CE1 3.62Å; V653-F685 HydrophobicContact CB-CE2 4.14Å; V653-F685 HydrophobicContact CB-CZ 3.54Å; V653-F685 HydrophobicContact CG1-CD1 3.76Å; V653-F685 HydrophobicContact CG1-CD2 3.93Å; V653-F685 HydrophobicContact CG1-CE1 3.58Å; V653-F685 HydrophobicContact CG1-CE2 3.77Å; V653-F685 HydrophobicContact CG1-CG 3.93Å; V653-F685 HydrophobicContact CG1-CZ 3.59Å; V653-F685 HydrophobicContact CG2-CE1 4.4Å; V653-F685 HydrophobicContact CG2-CE2 4.19Å; V653-F685 HydrophobicContact CG2-CZ 3.8Å; I654-F685 HydrophobicContact CD1-CD1 3.99Å; I654-F685 HydrophobicContact CD1-CE1 4.46Å; I654-F685 HydrophobicContact CG1-CD1 4.32Å; I654-F685 HydrophobicContact CG1-CE1 4.3Å; F657-F685 HydrophobicContact CE2-CB 4.2Å; F657-F685 HydrophobicContact CE2-CG 4.4Å; V681-F685 WeakPolarHBondContact O-CB 3.48Å; V681-F685 PolarHBondContact O-N 2.88Å; F683-F685 PolarHBondContact O-N 3.43Å; F685-V687 PolarHBondContact O-N 3.17Å; F685-T688 WeakPolarHBondContact O-CB 3.4Å; F685-T688 PolarHBondContact O-N 3.46Å; F685-L689 WeakPolarHBondContact O-CB 3.44Å; F685-L689 PolarHBondContact O-N 2.82Å
686T91.6Very high84.8Confident42 Ų4228.5 Ų28.526%0.25815%0.15SC..Hα-helixtrans-61.4-44.5178.5-54.30000111.6F650 S682 F683 L689 I690F650-T686 HydrophobicContact CE2-CG2 4.16Å; S682-T686 WeakPolarHBondContact O-CB 3.31Å; S682-T686 PolarHBondContact O-N 3.47Å; S682-T686 PolarHBondContact O-OG1 3.34Å; F683-T686 WeakPolarHBondContact O-CB 3.48Å; F683-T686 PolarHBondContact O-N 2.89Å; F683-T686 VanDerWaalsContact O-N 3.1Å; T686-L689 PolarHBondContact O-N 3.39Å; T686-I690 HydrophobicContact CG2-CD1 3.91Å; T686-I690 WeakPolarHBondContact O-CB 3.26Å; T686-I690 VanDerWaalsContact O-CG1 3.26Å; T686-I690 WeakPolarHBondContact O-CG1 3.42Å; T686-I690 PolarHBondContact O-N 3.45Å
687V92.4Very high82.8Confident20 Ų2030.5 Ų30.512%0.12116%0.157CC..Hα-helixtrans-61.4-45174.11710000111.2F683 W684 F685 L689 I690 V691 L1030F683-V687 HydrophobicContact CD1-CG2 4.27Å; F683-V687 HydrophobicContact CD2-CG2 4.4Å; F683-V687 HydrophobicContact CE1-CG2 3.81Å; F683-V687 HydrophobicContact CE2-CG2 3.97Å; F683-V687 HydrophobicContact CZ-CG2 3.66Å; F683-V687 WeakPolarHBondContact O-CG2 3.36Å; F683-V687 PolarHBondContact O-N 3.03Å; W684-V687 HydrophobicContact CE3-CB 4.15Å; W684-V687 HydrophobicContact CE3-CG1 4.11Å; W684-V687 HydrophobicContact CE3-CG2 4.48Å; W684-V687 HydrophobicContact CZ3-CB 4.48Å; W684-V687 HydrophobicContact CZ3-CG1 4.04Å; F685-V687 PolarHBondContact O-N 3.17Å; V687-L689 VanDerWaalsContact C-N 3.34Å; V687-L689 PolarHBondContact O-N 2.63Å; V687-I690 PolarHBondContact O-N 3.36Å; V687-V691 HydrophobicContact CG1-CG2 4.26Å; V687-V691 WeakPolarHBondContact O-CB 3.37Å; V687-V691 WeakPolarHBondContact O-CG2 3.29Å; V687-V691 PolarHBondContact O-N 2.97Å; V687-L1030 HydrophobicContact CG1-CD1 3.68Å; V687-L1030 HydrophobicContact CG1-CD2 4.29Å
688T90.7Very high80.5Confident1 Ų133.8 Ų33.81%0.00618%0.177CC..Hα-helixtrans-59.8-44.8178.1-58.80000111.4H577 W684 F685 C692 M1094H577-T688 HydrophobicContact CB-CG2 3.86Å; W684-T688 WeakPolarHBondContact O-CB 3.22Å; W684-T688 PolarHBondContact O-N 3.49Å; W684-T688 PolarHBondContact O-OG1 3.39Å; F685-T688 WeakPolarHBondContact O-CB 3.4Å; F685-T688 PolarHBondContact O-N 3.46Å; T688-C692 WeakPolarHBondContact O-CB 3.48Å; T688-C692 PolarHBondContact O-N 3.39Å; T688-C692 PolarHBondContact O-SG 2.68Å; T688-M1094 HydrophobicContact CG2-CG 4.33Å; T688-M1094 HydrophobicContact CG2-SD 3.76Å
689L88.7Confident78.1Confident16 Ų1637.9 Ų37.98%0.08421%0.206CC..Hα-helixtrans-59.1-52.3175.3-175.773.6000111.3F581 L646 F650 F685 T686 V687 V691 C692 V693F581-L689 HydrophobicContact CD1-CD1 4.49Å; F581-L689 HydrophobicContact CE1-CD1 3.7Å; F581-L689 HydrophobicContact CE2-CD1 3.93Å; F581-L689 HydrophobicContact CZ-CD1 3.39Å; L646-L689 HydrophobicContact CD1-CD1 3.78Å; L646-L689 HydrophobicContact CG-CD1 4.39Å; F650-L689 HydrophobicContact CB-CD2 4Å; F650-L689 HydrophobicContact CD2-CD2 3.63Å; F650-L689 HydrophobicContact CE2-CD2 4.49Å; F650-L689 HydrophobicContact CG-CD2 4.13Å; F685-L689 WeakPolarHBondContact O-CB 3.44Å; F685-L689 PolarHBondContact O-N 2.82Å; T686-L689 PolarHBondContact O-N 3.39Å; V687-L689 VanDerWaalsContact C-N 3.34Å; V687-L689 PolarHBondContact O-N 2.63Å; L689-V691 PolarHBondContact O-N 3.31Å; L689-C692 PolarHBondContact O-N 3.19Å; L689-V693 HydrophobicContact CD1-CG2 4.2Å; L689-V693 HydrophobicContact CG-CG2 4.34Å; L689-V693 WeakPolarHBondContact O-CB 3.22Å; L689-V693 WeakPolarHBondContact O-CG2 3.48Å; L689-V693 PolarHBondContact O-N 2.8Å
690I87.2Confident75.4Confident80 Ų8039.8 Ų39.841%0.4123%0.227SC..Hα-helixtrans-57.3-47.5-179.8-72167.6000110.9T686 V687 C692 V693 M694T686-I690 HydrophobicContact CG2-CD1 3.91Å; T686-I690 WeakPolarHBondContact O-CB 3.26Å; T686-I690 VanDerWaalsContact O-CG1 3.26Å; T686-I690 WeakPolarHBondContact O-CG1 3.42Å; T686-I690 PolarHBondContact O-N 3.45Å; V687-I690 PolarHBondContact O-N 3.36Å; I690-C692 PolarHBondContact O-N 2.86Å; I690-V693 PolarHBondContact O-N 3.15Å; I690-M694 HydrophobicContact CG2-CG 3.89Å; I690-M694 HydrophobicContact CG2-SD 3.82Å; I690-M694 VanDerWaalsContact O-CB 3.32Å; I690-M694 WeakPolarHBondContact O-CB 3.36Å; I690-M694 WeakPolarHBondContact O-CG 3.27Å; I690-M694 PolarHBondContact O-N 2.88Å
691V88Confident72.3Confident17 Ų1748.4 Ų48.410%0.10327%0.267CS..Hα-helixtrans-62.2-42.5179.6170.70000111.4V687 L689 K1026 L1030V687-V691 HydrophobicContact CG1-CG2 4.26Å; V687-V691 WeakPolarHBondContact O-CB 3.37Å; V687-V691 WeakPolarHBondContact O-CG2 3.29Å; V687-V691 PolarHBondContact O-N 2.97Å; L689-V691 PolarHBondContact O-N 3.31Å; V691-K1026 HydrophobicContact CG1-CB 4.42Å; V691-K1026 WeakPolarHBondContact O-CD 3.48Å; V691-K1026 WeakPolarHBondContact O-CE 3.38Å; V691-K1026 PolarHBondContact O-NZ 3.01Å; V691-L1030 HydrophobicContact CG2-CD1 4.15Å; V691-L1030 HydrophobicContact CG2-CD2 3.95Å; V691-L1030 HydrophobicContact CG2-CG 4.49Å
692C82.7Confident69.2Low29 Ų2956.3 Ų56.320%0.19630%0.301CS..Hα-helixtrans-63.9-46.2176-670000111.5F581 T688 L689 I690 K1026F581-C692 HydrophobicContact CB-CB 3.91Å; F581-C692 HydrophobicContact CD2-CB 4.46Å; F581-C692 HydrophobicContact CG-CB 4.32Å; T688-C692 WeakPolarHBondContact O-CB 3.48Å; T688-C692 PolarHBondContact O-N 3.39Å; T688-C692 PolarHBondContact O-SG 2.68Å; L689-C692 PolarHBondContact O-N 3.19Å; I690-C692 PolarHBondContact O-N 2.86Å; C692-K1026 PolarHBondContact O-NZ 3.18Å
693V77Confident66.1Low37 Ų3761.8 Ų61.822%0.22433%0.334CS..Hα-helixtrans-80-40.2-169.4172.20000114.4L646 L689 I690 F695L646-V693 HydrophobicContact CD1-CG2 3.76Å; L646-V693 HydrophobicContact CD2-CB 4.39Å; L646-V693 HydrophobicContact CD2-CG1 3.77Å; L646-V693 HydrophobicContact CD2-CG2 3.72Å; L646-V693 HydrophobicContact CG-CG2 4.35Å; L689-V693 HydrophobicContact CD1-CG2 4.2Å; L689-V693 HydrophobicContact CG-CG2 4.34Å; L689-V693 WeakPolarHBondContact O-CB 3.22Å; L689-V693 WeakPolarHBondContact O-CG2 3.48Å; L689-V693 PolarHBondContact O-N 2.8Å; I690-V693 PolarHBondContact O-N 3.15Å; V693-F695 VanDerWaalsContact C-N 3.28Å; V693-F695 PolarHBondContact O-N 3.41Å
694M64.3Low62.9Low103 Ų10365 Ų6551%0.50736%0.362SS..SBendtrans-63.2-21.9-158.5-92.2-155.873.100117I690I690-M694 HydrophobicContact CG2-CG 3.89Å; I690-M694 HydrophobicContact CG2-SD 3.82Å; I690-M694 VanDerWaalsContact O-CB 3.32Å; I690-M694 WeakPolarHBondContact O-CB 3.36Å; I690-M694 WeakPolarHBondContact O-CG 3.27Å; I690-M694 PolarHBondContact O-N 2.88Å
695F53.4Low59.6Low116 Ų11667.2 Ų67.251%0.50938%0.384SS..SBendtrans-141140174-73.3-77.6000111.2V693 K1026V693-F695 VanDerWaalsContact C-N 3.28Å; V693-F695 PolarHBondContact O-N 3.41Å; F695-K1026 PolarHBondContact O-NZ 3.45Å
696P47.9Very low56.3Low48 Ų4873.8 Ų73.831%0.31242%0.419SS..  trans-80145.4-159.530.9-37000114.3Q588Q588-P696 HydrophobicContact CB-CB 4.47Å; Q588-P696 HydrophobicContact CG-CB 4.06Å
697R46.4Very low53.1Low71 Ų7180.3 Ų80.327%0.26845%0.447SS..  trans-67.3137.2152.3-82.6165.9152.9-176.1-15.4109W582 Q588 S699 T1019W582-R697 VanDerWaalsContact CE3-NH2 3.27Å; W582-R697 VanDerWaalsContact O-CZ 3.26Å; W582-R697 PolarHBondContact O-NH1 3.28Å; W582-R697 PolarHBondContact O-NH2 3.43Å; Q588-R697 PolarHBondContact NE2-O 3.16Å; R697-S699 VanDerWaalsContact C-N 3.3Å; R697-S699 PolarHBondContact O-N 3.4Å; R697-S699 VanDerWaalsContact O-N 3.09Å; R697-T1019 HydrophobicContact CG-CG2 3.9Å
698V41.6Very low49.8Very low74 Ų7484.7 Ų84.745%0.44847%0.47SS..  trans-83.380.9168.6-175.50000108.5G700V698-G700 PolarHBondContact O-N 2.53Å
699S41.3Very low46.6Very low86 Ų8690.8 Ų90.860%0.60150%0.502SS*.  trans-66.8113.6171.4-162.10000108.6R697R697-S699 VanDerWaalsContact C-N 3.3Å; R697-S699 PolarHBondContact O-N 3.4Å; R697-S699 VanDerWaalsContact O-N 3.09Å
700G33.7Very low43.6Very low45 Ų45100.9 Ų100.946%0.46454%0.539SS..  trans-70.3131.7167.100000108.6V698 K702V698-G700 PolarHBondContact O-N 2.53Å; G700-K702 PolarHBondContact O-N 2.89Å; G700-K702 VanDerWaalsContact O-N 3.14Å
701Q26.6Very low40.7Very low180 Ų180104.8 Ų104.884%0.84156%0.561SS**  trans-55.4123.5164.7-74.1172.2-72.600108.1V703Q701-V703 PolarHBondContact O-N 2.93Å
702K27.2Very low37.8Very low167 Ų167110.5 Ų110.573%0.72659%0.591SS**  trans-58.8102.7144.4-88.9-172.2175.3-175.60104.9G700 S704 H798G700-K702 PolarHBondContact O-N 2.89Å; G700-K702 VanDerWaalsContact O-N 3.14Å; K702-S704 PolarHBondContact O-N 3.03Å; K702-H798 PolarHBondContact NZ-NE2 3.36Å
703V28Very low35.2Very low124 Ų124116.2 Ų116.275%0.75262%0.618SS**  trans-68.590.1153.4177.70000104.5Q701 G705Q701-V703 PolarHBondContact O-N 2.93Å; V703-G705 PolarHBondContact O-N 3.07Å
704S25.4Very low32.8Very low108 Ų108120.8 Ų120.876%0.75564%0.641SS**  trans-66.195.2158.4-164.40000104.8K702 N706K702-S704 PolarHBondContact O-N 3.03Å; S704-N706 PolarHBondContact O-N 2.78Å; S704-N706 VanDerWaalsContact O-N 3.16Å
705G24.4Very low30.9Very low46 Ų46121.3 Ų121.347%0.47465%0.654SS.*  trans-59.6120.1174.800000107.3V703 Q707V703-G705 PolarHBondContact O-N 3.07Å; G705-Q707 PolarHBondContact O-N 3.1Å
706N23.3Very low29.7Very low140 Ų140123.2 Ų123.275%0.74967%0.669SS**  trans-77.359.3179.6-16315.4000110.3S704 N708S704-N706 PolarHBondContact O-N 2.78Å; S704-N706 VanDerWaalsContact O-N 3.16Å; N706-N708 PolarHBondContact O-N 2.82Å
707Q25.6Very low28.7Very low179 Ų179127.4 Ų127.484%0.83669%0.689SS**  trans-8265.3173.9-69.9-171.4-88.100109.3G705G705-Q707 PolarHBondContact O-N 3.1Å
708N22.4Very low27.9Very low112 Ų112130.8 Ų130.860%0.59971%0.712SS**  trans-150.653.5167.2-102.4-8.7000109.5N706N706-N708 PolarHBondContact O-N 2.82Å
709N24.5Very low27.4Very low128 Ų128134.1 Ų134.168%0.68473%0.728SS**SBendtrans-155.8111.9158.3-121.7-42.5000111
710R25.1Very low26.7Very low228 Ų228134.4 Ų134.486%0.8673%0.73SS**  trans5480.8163.5-57.6178.1-173.9149.33.3117.4
711D25.3Very low26.6Very low162 Ų162138.5 Ų138.587%0.86674%0.741SS**  trans-126.384.5139.8-86.6-45.5000107.1
712N28Very low26.9Very low138 Ų138137.6 Ų137.674%0.73874%0.736SS**  trans-83.5117.6172.8-141.558.7000107.5D714N712-D714 VanDerWaalsContact C-N 3.33Å; N712-D714 PolarHBondContact ND2-OD2 2.91Å; N712-D714 PolarHBondContact O-N 3.38Å
713I27.5Very low26.9Very low149 Ų149136.3 Ų136.376%0.76474%0.738SS**  trans-8286.4175.1-58.4174.4000108.1
714D27.5Very low27Very low133 Ų133137.4 Ų137.471%0.71174%0.737SS**  trans-101.196.8157.9-72.2-64.1000107.6N712N712-D714 VanDerWaalsContact C-N 3.33Å; N712-D714 PolarHBondContact ND2-OD2 2.91Å; N712-D714 PolarHBondContact O-N 3.38Å
715C23Very low27Very low114 Ų114137.9 Ų137.977%0.7774%0.736SS**  trans-92.5106.1165.7-66.50000107.9
716N29.7Very low27.1Very low155 Ų155140.5 Ų140.583%0.82975%0.747SS**  trans-139.9145.3167.8-118.48.5000108.6
717D26.7Very low27.3Very low136 Ų136140.9 Ų140.973%0.72775%0.749SS**  trans-81.8175.4-161.8-51.4-72.7000115
718N28.4Very low27.5Very low143 Ų143137.5 Ų137.577%0.76575%0.745SS**  trans76.5140.2164.7-48.5-28.2000115.2
719D32Very low27.8Very low143 Ų143136.8 Ų136.877%0.76575%0.749SS**  cis-145.8-179.58.5-106-35000112.8
720S27.5Very low28.1Very low93 Ų93137.3 Ų137.365%0.6575%0.752SS**  trans-50.1172.1172.4-23.90000115.8
721D31.1Very low28.4Very low130 Ų130132.7 Ų132.770%0.69574%0.744SS**  cis-164.1169.823.5-130.8-26.4000117.6
722H32.9Very low28.7Very low161 Ų161131.2 Ų131.275%0.74574%0.736SS**  trans27.898.8155.1-72.4-58000125.5
723N26.6Very low28.8Very low141 Ų141131.7 Ų131.775%0.75474%0.739SS**  31.3144.1105.9-108.9-9000125.3
724I30.1Very low28.9Very low146 Ų146129.5 Ų129.575%0.74974%0.737SS**  trans91.4165140.9-71.6165.6000120.3
725T25.4Very low29Very low118 Ų118127.9 Ų127.972%0.72474%0.736SS**  trans-128.5155.5-144.455.20000116.3
726S26.1Very low29.4Very low101 Ų101128 Ų12871%0.70673%0.733SS**  135.9142.4118.171.90000119.5
727N26.9Very low29.4Very low149 Ų149128.8 Ų128.880%0.79773%0.732SS**  trans76.6129.5143.9-73-3.5000126
728S30Very low29.5Very low107 Ų107125.8 Ų125.875%0.74873%0.725SS**  trans98.7117.1133.472.90000122.1
729S29Very low29.5Very low97 Ų97125.7 Ų125.768%0.67873%0.725SS**  trans51133.914048.60000120.7
730N31.5Very low29.3Very low139 Ų139125.4 Ų125.474%0.74372%0.724SS**  cis-164.616130.4-114.8-6.3000114.1
731N31.8Very low29.3Very low132 Ų132130.8 Ų130.871%0.70674%0.735SS**  trans70.6126.6145.9-68.87.6000124
732N31.3Very low29.1Very low131 Ų131129.4 Ų129.470%0.70173%0.732SS**  trans94.5119.3146.1-67.723.9000121.6
733D29.4Very low28.8Very low147 Ų147128.7 Ų128.779%0.78673%0.734SS**  trans62.6124.9150-50.4-30.3000121.2
734S30.4Very low28.9Very low103 Ų103129.2 Ų129.272%0.7274%0.735SS**  cis-158.1141.4-10.649.20000113.6
735S30.1Very low28.7Very low100 Ų100127.8 Ų127.870%0.69973%0.733SS**  trans27.8139.4151.357.40000123.4
736T30.5Very low28.7Very low115 Ų115127.8 Ų127.871%0.70673%0.733SS**  cis-174.4142.1-12.128.40000110.1
737H30.1Very low28.7Very low173 Ų173129 Ų12980%0.80174%0.736SS**  trans48.1131142.9-67.9-63.6000121.9
738A27.6Very low28.9Very low72 Ų72127.5 Ų127.560%0.59573%0.733SS**  cis61.8128.913.600000116.5
739N29.4Very low28.9Very low141 Ų141129.4 Ų129.475%0.75473%0.733SS**  cis-164.81667.5-114.4-14.5000111.5
740N27.1Very low29.2Very low138 Ų138130.4 Ų130.474%0.73874%0.737SS**  trans29.5131152.2-59.8-22000122
741F28.5Very low29Very low205 Ų205128 Ų12890%0.89973%0.731SS**  -160.5175.7111.2-126.2-94.3000112.8
742T26.9Very low28.8Very low101 Ų101127.9 Ų127.962%0.6274%0.735SS**  trans-107.5156.6-162.555.80000116.6
743N25.5Very low28.7Very low146 Ų146128 Ų12878%0.78174%0.742SS**  trans95.8147.5148.1-67.8-23.3000121.8
744I29.8Very low28.5Very low152 Ų152125.4 Ų125.478%0.77974%0.74SS**  trans8379.7158.7-63.9149.3000118.8
745T25Very low28.3Very low117 Ų117125 Ų12572%0.71874%0.737SS**  35.6140.5126.447.90000125.3
746T25.9Very low28.2Very low118 Ų118126.6 Ų126.672%0.72474%0.743SS**  trans103.2125.2132.729.80000123.5
747T26.8Very low28.2Very low125 Ų125126.2 Ų126.277%0.76775%0.745SS**  trans65.4142.3153.649.90000118.7
748T29.3Very low28Very low119 Ų119125.5 Ų125.573%0.7375%0.746SS**  cis-132.7151.75.7470000110.2
749I31.6Very low28.3Very low147 Ų147127.5 Ų127.575%0.75475%0.752SS**  60.2133.962.3-56.9175.2000112.9
750P34.3Very low28.3Very low117 Ų117124.9 Ų124.976%0.7675%0.745SS**  cis-116.8-134.6-5.735.3-13000111.2
751S28.3Very low28.4Very low89 Ų89125.5 Ų125.562%0.62275%0.748SS**  cis-168.1133.2-7.138.50000112.8
752T27.4Very low28.4Very low129 Ų129121.4 Ų121.479%0.79174%0.74SS**  trans54.5159.7145.558.30000121.2
753T29.1Very low28.4Very low135 Ų135122.5 Ų122.583%0.82875%0.747SS**  cis-151.3-177.714.4-23.10000112.2
754A25.7Very low28.5Very low91 Ų91119.7 Ų119.775%0.75274%0.744SS**  trans-77.9-174.3175.600000113
755S26.3Very low28.3Very low94 Ų94118.5 Ų118.566%0.65774%0.744SS**  cis-169.7179.925.864.20000114.1
756T27.5Very low28.2Very low134 Ų134117.7 Ų117.782%0.82274%0.743SS**  trans67154.3158.847.50000118.7
757S29.7Very low28.2Very low108 Ų108118.3 Ų118.376%0.75575%0.747SS**  cis-145.5177.32.550.10000112.4
758I27.2Very low28.1Very low158 Ų158116.3 Ų116.381%0.8174%0.744SS**  trans-120.2137175.3-61.4166000109.1
759P33.9Very low27.9Very low113 Ų113116.5 Ų116.573%0.73474%0.744SS**  -138.7159.5123.620.10.1000112.2
760S28.9Very low27.6Very low86 Ų86115 Ų11560%0.60174%0.742SS**  cis162.6123.7-29.750.20000106.7
761N28.1Very low27.2Very low151 Ų151115.8 Ų115.881%0.80774%0.74SS**  trans68.9156.7168.1-55.2-16.7000116.5
762T30Very low27.2Very low120 Ų120117.1 Ų117.174%0.73674%0.74SS**  cis-146.3138.916.7-26.20000113.2
763T27.2Very low27.2Very low123 Ų123114.7 Ų114.776%0.75573%0.729SS**  trans25.5119.3151.455.50000124.1
764A25.8Very low27.1Very low88 Ų88117.2 Ų117.273%0.72772%0.724SS**  96.414711300000123.9
765T26.6Very low27.2Very low126 Ų126118.3 Ų118.377%0.77372%0.718SS**  trans66.190.815140.30000122.4
766S22.8Very low27.2Very low100 Ų100122.8 Ų122.870%0.69972%0.721SS**  67.8151.9119.658.20000124
767T25.9Very low27.2Very low131 Ų131124.1 Ų124.180%0.80472%0.723SS**  trans70.892.315640.60000121.3
768A23.6Very low27Very low84 Ų84129.3 Ų129.369%0.69473%0.727SS**  79137.2118.900000123.6
769T25.4Very low27Very low122 Ų122129.6 Ų129.675%0.74873%0.729SS**  trans70.3108.4147.7430000122.4
770T25.5Very low26.6Very low116 Ų116135.7 Ų135.771%0.71274%0.738SS**  61.8139.7128.960.20000120.3
771D26.8Very low26.3Very low134 Ų134142.4 Ų142.472%0.71775%0.752SS**  cis-171.2-172.31.1-114.411.7000108.5
772N28.9Very low25.9Very low116 Ų116140.3 Ų140.362%0.6275%0.749SS**  cis-159.2165.96.9-143.8-51000112.3
773S26.1Very low25.6Very low78 Ų78141.1 Ų141.155%0.54575%0.749SS.*  trans72.3153.5139.185.40000120.9
774Y27.9Very low25.4Very low188 Ų188142.1 Ų142.174%0.73775%0.745SS**  cis-150.3143.44.4-99.1-48.7000113.4
775N28.3Very low25.2Very low115 Ų115145.2 Ų145.262%0.61574%0.744SS**  trans54.7153.1135.2-64.4-13.6000122.9
776Y25.7Very low24.9Very low188 Ų188150 Ų15074%0.73775%0.75SS**  cis-155.3132.4-9.1-127.9-53.5000110
777N28.2Very low24.9Very low161 Ų161153.5 Ų153.586%0.86175%0.753SS**  trans-158.1151.7133.3-134-32.2000112
778R24.1Very low24.7Very low218 Ų218153.7 Ų153.782%0.82375%0.754SS**  trans-76132.5-163.1-74171.2165157.5-6.9114.3
779N28Very low24.7Very low163 Ų163154.7 Ų154.787%0.87275%0.751SS**  trans-140.4155.7140.3-105.9-44.2000110.2
780R25.5Very low24.5Very low241 Ų241156.2 Ų156.291%0.90976%0.755SS**  trans-81.4140.9-153.1-65.5176.8176.4144.4-3.3115.4
781Y21.7Very low24.4Very low227 Ų227160.5 Ų160.589%0.8976%0.759SS**  trans-142.8144.6153.4-98-77.3000109.9
782S20.7Very low24.1Very low107 Ų107159.7 Ų159.775%0.74876%0.755SS**  trans133.7146.1165.557.20000111.5
783N24.1Very low24Very low137 Ų137163.5 Ų163.573%0.73377%0.769SS**  trans64144-176.1-65.50.1000115.1
784Q21.8Very low23.8Very low145 Ų145167.5 Ų167.568%0.67877%0.774SS**  cis-164.4176.7-18-124.4163.2-21.300108.5
785Q22.6Very low23.6Very low152 Ų152164 Ų16471%0.7177%0.774SS**  trans64.2119.3154.1-74.8163.8-36.600119.6
786Y20.4Very low23.5Very low227 Ų227163.8 Ų163.889%0.8978%0.779SS**  trans-26.6134.6136.1-64.2-97.6000113.7
787F22.6Very low23.2Very low174 Ų174162.7 Ų162.776%0.76379%0.786SS**  trans-145.8104148.4-113.7-71.3000111T789F787-T789 HydrophobicContact CD1-CG2 4.07Å; F787-T789 HydrophobicContact CE1-CG2 4.47Å
788T20.3Very low23.1Very low135 Ų135162 Ų16283%0.82878%0.777SS**  trans-77.1128.915637.80000108.4
789T24.1Very low23Very low105 Ų105160.6 Ų160.664%0.64478%0.78SS**  trans-144.3127.6163.539.30000109.8F787F787-T789 HydrophobicContact CD1-CG2 4.07Å; F787-T789 HydrophobicContact CE1-CG2 4.47Å
790N20.7Very low22.7Very low154 Ų154163.3 Ų163.382%0.82478%0.779SS**  trans-68.6-159.9157.8-68.2-30.1000110
791Y22.9Very low22.6Very low205 Ų205157 Ų15780%0.80476%0.763SS**  trans97.3121.5-176.6-59-66.5000114.9
792D22.2Very low22.8Very low117 Ų117151.6 Ų151.663%0.62675%0.746SS**  cis-165.6130.1-18.6-126.615.6000108.5
793E25.6Very low22.9Very low197 Ų197150.3 Ų150.392%0.92174%0.737SS**  trans-111.693.2178.6-164.9160.8-134.200111.7
794Y22.8Very low23.3Very low162 Ų162148.4 Ų148.464%0.63573%0.726SS**  trans-56.4128.1-178.5-92-107.3000113.1P796Y794-P796 WeakPolarHBondContact O-CD 3.38Å
795P22.8Very low23.4Very low113 Ų113147.7 Ų147.773%0.73473%0.727SS**  trans-78.2122.5178.329.8-33.9000112.5N797P795-N797 PolarHBondContact O-N 3.16Å
796P26Very low23.6Very low111 Ų111149.2 Ų149.272%0.72173%0.734SS**  trans-87.1106.4175.232.6-31.1000111.4Y794 H798Y794-P796 WeakPolarHBondContact O-CD 3.38Å; P796-H798 PolarHBondContact O-N 3.45Å
797N20.2Very low23.8Very low166 Ų166140.2 Ų140.289%0.88870%0.701SS**  trans-48100.3172.4-81.4-48.9000112.9P795P795-N797 PolarHBondContact O-N 3.16Å
798H26.1Very low23.9Very low145 Ų145138.5 Ų138.567%0.67169%0.69SS**  trans-134.8137.7174.4-91.720.9000111.7K702 P796K702-H798 PolarHBondContact NZ-NE2 3.36Å; P796-H798 PolarHBondContact O-N 3.45Å
799Q21.7Very low24.1Very low190 Ų190141.4 Ų141.489%0.88869%0.692SS**  trans-66.8148.5-167.1-66.9163.4-79.800114.4I801Q799-I801 PolarHBondContact O-N 3.29Å
800Y21.3Very low24Very low219 Ų219141.9 Ų141.986%0.85969%0.687SS**  trans-48.7126.1172.4-76.3-99000113.9
801I24.6Very low24.2Very low110 Ų110143.4 Ų143.456%0.56469%0.689SS**  trans-136.3107.7143.1-59.1-176.7000106.7Q799Q799-I801 PolarHBondContact O-N 3.29Å
802E24.5Very low24.1Very low113 Ų113138.1 Ų138.153%0.52868%0.682SS.*  trans-56141.3175.3-63.6163.7148.200111.1R524R524-E802 IonicContact CZ-OE2 3.78Å; R524-E802 IonicContact NE-OE2 3.99Å; R524-E802 PolarHBondContact NE-OE2 3.41Å; R524-E802 IonicContact NH2-OE2 2.84Å; R524-E802 PolarHBondContact NH2-OE2 3.03Å
803S24Very low24.3Very low80 Ų80136.5 Ų136.556%0.55968%0.678SS**  trans-142.265.5179.2810000111.1D805S803-D805 PolarHBondContact O-N 3.12Å
804D31.2Very low24.1Very low97 Ų97133 Ų13352%0.51966%0.656SS.*  trans-93.888-162.8-44.7-35.2000112.2E806D804-E806 HydrophobicContact CB-CG 4.42Å
805D25.4Very low24.1Very low130 Ų130133.8 Ų133.870%0.69566%0.658SS**  trans-101.788.1142.1-78.3-58.3000106.4S803 I807S803-D805 PolarHBondContact O-N 3.12Å; D805-I807 PolarHBondContact O-N 3.49Å
806E26.1Very low24Very low183 Ų183133.6 Ų133.686%0.85566%0.659SS**  trans-67.993.9-176-70.7-173.2120.800112.4D804D804-E806 HydrophobicContact CB-CG 4.42Å
807I24.6Very low23.8Very low38 Ų38133.1 Ų133.120%0.19566%0.659CS.*  trans-136.547.9177.7-39.4-175.3000112.9D805 N1392D805-I807 PolarHBondContact O-N 3.49Å; I807-N1392 WeakPolarHBondContact CG2-OD1 3.47Å
808Y24.5Very low24.1Very low138 Ų138133.2 Ų133.254%0.54166%0.658SS.*  trans-140.9114.1167-72.9-88.4000111.2N1397Y808-N1397 WeakPolarHBondContact CD1-ND2 3.41Å; Y808-N1397 HydrophobicContact CE1-CB 3.84Å; Y808-N1397 VanDerWaalsContact CE1-ND2 3.25Å; Y808-N1397 WeakPolarHBondContact CE1-ND2 3.48Å; Y808-N1397 WeakPolarHBondContact CE1-OD1 3.17Å; Y808-N1397 VanDerWaalsContact CZ-OD1 3.23Å; Y808-N1397 PolarHBondContact OH-OD1 3.14Å
809F24.7Very low23.9Very low197 Ų197132.2 Ų132.286%0.86466%0.658SS**  171.2131.2128.1-94.8-65.3000110.6
810H22.7Very low24Very low115 Ų115132.5 Ų132.553%0.53266%0.662SS.*  trans-105.9137154.5-92.2-130.4000106.9E465E465-H810 IonicContact OE1-CE1 2.63Å; E465-H810 PolarHBondContact OE1-CE1 3.49Å; E465-H810 IonicContact OE1-ND1 3.88Å; E465-H810 PolarHBondContact OE1-ND1 2.95Å
811Q23.2Very low24Very low185 Ų185128.6 Ų128.686%0.86466%0.655SS**  trans-97.5146.8172.9-68.9-177.7-36.800110.8
812S21.8Very low24.1Very low95 Ų95130.6 Ų130.666%0.66466%0.66SS**  trans162.9163.3142.758.10000110.4
813P27.4Very low24Very low82 Ų82130 Ų13053%0.53267%0.668SS.*  cis-138.8163.1-48.138.5-24.6000113.7D457D457-P813 HydrophobicContact CB-CG 4.45Å
814R21Very low24Very low124 Ų124135.1 Ų135.147%0.46868%0.681SS.*  trans166146.1141.1-91160.8-169.6-172.77.3109.9N453 N454 D457N453-R814 PolarHBondContact O-NH2 3.44Å; N454-R814 VanDerWaalsContact OD1-CZ 3.29Å; N454-R814 PolarHBondContact OD1-NH1 2.89Å; N454-R814 PolarHBondContact OD1-NH2 3.13Å; D457-R814 IonicContact OD2-CZ 3.23Å; D457-R814 IonicContact OD2-NE 2.85Å; D457-R814 PolarHBondContact OD2-NE 3.36Å; D457-R814 VanDerWaalsContact OD2-NE 3.13Å; D457-R814 IonicContact OD2-NH2 2.82Å; D457-R814 PolarHBondContact OD2-NH2 3.49Å
815R21.3Very low23.7Very low179 Ų179137.6 Ų137.668%0.67569%0.693SS**  47.4136.479.1-68.2-178.5173-179.4-0.9111.6D450 N453D450-R815 IonicContact OD2-NH1 3.91Å; D450-R815 PolarHBondContact OD2-NH1 3.19Å; N453-R815 PolarHBondContact ND2-NH1 3.43Å
816S21.8Very low23.6Very low108 Ų108138.1 Ų138.176%0.75570%0.695SS**  cis-93.6168.69.947.90000113.5
817S21.6Very low23.7Very low102 Ų102134.9 Ų134.971%0.71369%0.69SS**  cis81.583.114.780.40000117.9
818L25.6Very low23.7Very low168 Ų168138.7 Ų138.788%0.8872%0.715SS**  trans-136.8139.1151-116.8169.3000111.7
819N22Very low23.8Very low124 Ų124137.9 Ų137.966%0.66373%0.73SS**  trans-75.3150.7-159-59-61.4000114.6
820M25.2Very low23.8Very low196 Ų196133.7 Ų133.797%0.96673%0.725SS**  -129.9122.1118.3-112.9-164.3178.400110.7
821N21.1Very low24.4Very low136 Ų136133.5 Ų133.573%0.72773%0.734SS**  trans-81.7132.2174.7-79.7-47.2000110.1
822K26.3Very low24.6Very low152 Ų152129.8 Ų129.866%0.66173%0.728SS**  -160.6154.1121.3-114.4173.7176.1-176.90113T1151 T1152K822-T1151 WeakPolarHBondContact CD-O 3.25Å; K822-T1151 PolarHBondContact NZ-O 3.43Å; K822-T1152 PolarHBondContact NZ-O 2.92Å; K822-T1152 PolarHBondContact NZ-OG1 3.28Å
823S21.6Very low24.7Very low100 Ų100129.9 Ų129.970%0.69973%0.729SS**  trans-128.4154.9-170.649.30000110.4
824F24.1Very low24.6Very low188 Ų188132.9 Ų132.983%0.82574%0.74SS**  trans-170.8147.6137.8-107.2-52.6000115
825L26.2Very low24.7Very low149 Ų149133.4 Ų133.478%0.7875%0.751SS**  trans62115.1152.8-59.5-175.7000122.4
826L23.6Very low24.8Very low142 Ų142130.8 Ų130.874%0.74376%0.755SS**  trans-71.9161.8139.1-68.492.7000109.8
827P27.6Very low24.8Very low114 Ų114130.3 Ų130.374%0.7475%0.752SS**  -111147.178.3-6.327.1000112.1
828T23.5Very low24.9Very low119 Ų119130.8 Ų130.873%0.7375%0.751SS**  51138.377.878.70000113.6
829S28.3Very low24.8Very low120 Ų120129.1 Ų129.184%0.83974%0.743SS**  cis-121.816828.955.60000116.9
830S24.5Very low24.9Very low110 Ų110129.2 Ų129.277%0.76975%0.748SS**  trans-131.7-152.317849.10000109.4
831P34.2Very low24.8Very low110 Ų110125.6 Ų125.671%0.71474%0.737SS**  -130-178.7-94.942-25.7000114.4
832S27Very low25Very low107 Ų107127.1 Ų127.175%0.74874%0.743SS**  trans171.4143.4140.136.10000110
833S24.8Very low25Very low98 Ų98123.4 Ų123.469%0.68575%0.748SS**  cis85.813621.484.10000114.4
834L25.5Very low25.1Very low144 Ų144127.4 Ų127.475%0.75476%0.755SS**  cis-148.9162.217.8-107121.9000113.2
835L23.3Very low25.4Very low136 Ų136126.5 Ų126.571%0.71276%0.757SS**  trans14134.8145.1-98.761.4000123.4
836T22.3Very low25.3Very low123 Ų123123.8 Ų123.876%0.75575%0.751SS**  39.8144.9126.265.50000121.4
837S22.9Very low25.3Very low99 Ų99123.3 Ų123.369%0.69275%0.749SS**  cis-16116628.561.80000115.7
838T23.4Very low25.3Very low112 Ų112128 Ų12869%0.68775%0.754SS**  trans59.3117.414747.60000123.3
839N24.5Very low25.3Very low133 Ų133129.8 Ų129.871%0.71176%0.757SS**  trans81.9103.6131.5-66.713.1000123.4
840T22.7Very low25.3Very low125 Ų125129.5 Ų129.577%0.76775%0.753SS**  78.8148.7125.459.10000122.9
841V24.4Very low25.1Very low120 Ų120129.9 Ų129.973%0.72775%0.754SS**  trans99.3101.8157.3-169.50000118.5
842I25.3Very low24.8Very low168 Ų168130.2 Ų130.286%0.86276%0.756SS**  trans65.3139.6148.5-62168.8000119
843G25Very low24.7Very low74 Ų74129.8 Ų129.876%0.76375%0.753SS**  trans15480172.700000113.8
844E25.1Very low24.6Very low184 Ų184130.1 Ų130.186%0.8676%0.755SS**  trans-55.4153.3-174.9-58.6160.8128.700116.4
845I28.7Very low24.6Very low169 Ų169128.6 Ų128.687%0.86776%0.757SS**  -157.8140.3119.4-99.7158.8000110
846S24.7Very low24.6Very low93 Ų93126.4 Ų126.465%0.6575%0.753SS**  trans-83173.4-178.124.60000113.2
847D24.5Very low24.9Very low132 Ų132130.5 Ų130.571%0.70676%0.756SS**  cis-164.1-174.5-8.7-109.4-35.5000110
848Y27Very low24.9Very low211 Ų211134.3 Ų134.383%0.82776%0.76SS**  trans99.8120.3149.8-75.3-73.7000122.3
849I23.7Very low25Very low157 Ų157135.7 Ų135.781%0.80576%0.763SS**  trans-125.7137.6161.7-68.7170.2000102.8
850P27.2Very low25Very low115 Ų115134.7 Ų134.775%0.74776%0.762SS**  -152.3-176.766.738.8-15.7000117.6
851C21.5Very low25.1Very low118 Ų118134.6 Ų134.680%0.79776%0.761SS**  trans-84.9164.6167.2-55.20000111.3
852P28.4Very low25.5Very low116 Ų116134.1 Ų134.175%0.75376%0.76SS**  -155.1170.290.340-20.7000118.9
853S23.7Very low25.6Very low99 Ų99133.6 Ų133.669%0.69276%0.758SS**  trans64.1108.1142.960.90000124.6
854S23.7Very low25.5Very low104 Ų104135.4 Ų135.473%0.72775%0.75SS**  76.5123.7120.367.60000125.4
855S25Very low25.5Very low112 Ų112135.6 Ų135.678%0.78374%0.744SS**  trans73.9155.6144.485.40000118.8
856S24Very low25.3Very low91 Ų91133.9 Ų133.964%0.63674%0.737SS**  cis-167.2172.7-25.949.90000111.6
857Y27.8Very low25.4Very low209 Ų209137 Ų13782%0.8275%0.745SS**  trans90146.6166.5-73-81.8000123.1
858K23.7Very low25.6Very low178 Ų178138.8 Ų138.877%0.77475%0.749SS**  trans-60174.3176.6-60.8160.1173.3174.20112.8
859L24.4Very low25.4Very low142 Ų142138 Ų13874%0.74375%0.749SS**  cis-169.716738-16475.5000113
860T25.5Very low25.6Very low112 Ų112133.3 Ų133.369%0.68774%0.741SS**  trans68.1102.4151.728.10000123.4
861T23.3Very low25.5Very low123 Ų123136.6 Ų136.676%0.75575%0.746SS**  -11.6169.8123.457.80000120.2
862P32.3Very low25.7Very low109 Ų109141.7 Ų141.771%0.70875%0.75SS**  cis-140.5-158.211.231.3-5.1000116.1
863I28.4Very low25.5Very low158 Ų158145.9 Ų145.981%0.8176%0.756SS**  trans91.4135.6163.9-52.2169.1000116.1
864N22.3Very low25.7Very low112 Ų112145.3 Ų145.360%0.59976%0.757SS**  171124.1-51.117035.3000108.4
865Y25.3Very low25.8Very low188 Ų188147.8 Ų147.874%0.73776%0.762SS**  trans169.1138.4130.3-94.3-60.4000114.3
866N24.5Very low25.7Very low133 Ų133147.4 Ų147.471%0.71176%0.759SS**  trans48.4110.6148.5-59.2-28.5000121
867L27.9Very low25.9Very low157 Ų157150.6 Ų150.682%0.82277%0.768SS**  -162140.8103.7-133.575.9000116.2
868H27.6Very low25.8Very low171 Ų171143.7 Ų143.779%0.79276%0.76SS**  trans63.9127.8147.9-112-82.7000125.2
869K24.1Very low25.8Very low193 Ų193142.3 Ų142.384%0.83977%0.767SS**  trans-71.8146.5167.5-60.1162.1178.8171.50111.8
870G26.3Very low25.9Very low60 Ų60138.3 Ų138.362%0.61976%0.759SS**  trans-163.896.4168.100000113.8Y872G870-Y872 PolarHBondContact O-N 2.96Å
871H25.6Very low25.8Very low184 Ų184142.2 Ų142.285%0.85277%0.767SS**  trans-76.8109-178-79.1-152.4000112.7K873H871-K873 PolarHBondContact O-N 3.28Å
872Y25.1Very low25.8Very low225 Ų225143.4 Ų143.488%0.88277%0.769SS**  trans-86.887.9164.3-77.9-89.1000111.3G870 A874G870-Y872 PolarHBondContact O-N 2.96Å; Y872-A874 PolarHBondContact O-N 2.89Å
873K25.6Very low25.5Very low203 Ų203144.6 Ų144.688%0.88377%0.769SS**  trans-75.173.7161.4-96.4-168.1172.5-175.40110.2H871H871-K873 PolarHBondContact O-N 3.28Å
874A27.3Very low25.3Very low88 Ų88143.1 Ų143.173%0.72777%0.771SS**  trans-73.3123154.800000107.5Y872 S876Y872-A874 PolarHBondContact O-N 2.89Å; A874-S876 PolarHBondContact O-N 3.03Å
875L25.9Very low25.5Very low156 Ų156144.7 Ų144.782%0.81778%0.775SS**  trans-79.291-176.8-166.475.4000110.2L877L875-L877 HydrophobicContact CD2-CD1 4.31Å
876S23Very low25.4Very low103 Ų103143.5 Ų143.572%0.7278%0.782SS**  trans-66.9126.5166.7-178.80000110.4A874A874-S876 PolarHBondContact O-N 3.03Å
877L27.8Very low25.5Very low159 Ų159147 Ų14783%0.83279%0.786SS**  trans-142.9118.1162.6-83.4168.9000106.2L875L875-L877 HydrophobicContact CD2-CD1 4.31Å
878G26.7Very low25.2Very low63 Ų63144.1 Ų144.165%0.64978%0.779SS**  cis177.776.5-3.100000110.3G880G878-G880 PolarHBondContact O-N 3.43Å
879T23.9Very low25.2Very low150 Ų150144.2 Ų144.292%0.9279%0.785SS**  trans-71.9111174.947.90000109.7
880G24.6Very low25Very low57 Ų57140.7 Ų140.759%0.58878%0.78SS**  trans-178.278.9-178.400000112.9G878G878-G880 PolarHBondContact O-N 3.43Å
881F24.6Very low25.1Very low194 Ų194143.8 Ų143.885%0.85179%0.786SS**  trans-151.477.2156.5-109.6-68.2000109.2L883F881-L883 PolarHBondContact O-N 2.7Å
882D23.3Very low25.1Very low149 Ų149140.2 Ų140.280%0.79778%0.778SS**  trans-66.4127.7165.5-69.1-66.5000109.5
883L26Very low25.3Very low133 Ų133135.8 Ų135.870%0.69677%0.769SS**  trans-134.247.2173.8-104.6169.5000110.8F881 Q885F881-L883 PolarHBondContact O-N 2.7Å; L883-Q885 HydrophobicContact CD2-CG 4.14Å; L883-Q885 PolarHBondContact O-N 3.29Å
884C23Very low25.4Very low128 Ų128131.7 Ų131.787%0.86576%0.761SS**  trans-73.576.7162.4-72.50000109.9N886C884-N886 PolarHBondContact O-N 2.93Å
885Q26.4Very low25.4Very low145 Ų145134 Ų13468%0.67876%0.762SS**  trans-82.5103.1163.9-80.7-170.9-22.100110L883L883-Q885 HydrophobicContact CD2-CG 4.14Å; L883-Q885 PolarHBondContact O-N 3.29Å
886N25.2Very low25.6Very low163 Ų163131.9 Ų131.987%0.87276%0.76SS**  trans-131.195.9152.2-102.81.5000108.2C884C884-N886 PolarHBondContact O-N 2.93Å
887Y25.4Very low25.9Very low205 Ų205131 Ų13180%0.80476%0.758SS**  trans-64.2149146.2-74.4-90.1000107.4
888S22.6Very low26Very low97 Ų97129.8 Ų129.868%0.67876%0.758SS**  cis-166.2151.6-2.442.60000108.9
889L26.3Very low26.2Very low174 Ų174132.3 Ų132.391%0.91176%0.762SS**  trans-146.2137155-115.4161.6000109.9
890T21.5Very low26.1Very low119 Ų119130.4 Ų130.473%0.7375%0.754SS**  trans-114127-168.947.80000111.3
891T28.1Very low26.1Very low124 Ų124135.4 Ų135.476%0.76177%0.767SS**  trans-170.9122.5158.919.20000106.7
892T24.8Very low26.1Very low110 Ų110130 Ų13068%0.67576%0.758SS**  55.612495.667.70000112.6
893D28.4Very low26.2Very low131 Ų131131 Ų13170%0.70176%0.758SS**  cis-156.3175.917.8-86-41.4000112.7
894T28Very low26.1Very low117 Ų117132.3 Ų132.372%0.71876%0.759SS**  trans41.4141.6144.956.10000121.4
895D27.7Very low26Very low137 Ų137136.5 Ų136.573%0.73376%0.756SS**  cis-165.3163.73.5-126.1-31.8000112.4
896S29.6Very low25.9Very low111 Ų111137.3 Ų137.378%0.77676%0.76SS**  trans63.3144.9159.1750000119.9
897A29.7Very low25.8Very low84 Ų84137.8 Ų137.869%0.69475%0.751SS**  cis-163140.3-18.100000112.3
898V31.1Very low25.9Very low135 Ų135135.3 Ų135.382%0.81875%0.746SS**  trans64.8133.2135.8170.60000120.3
899P29.9Very low26.1Very low115 Ų115135.4 Ų135.475%0.74774%0.743SS**  cis-135.2-168.8-2438-17.8000114
900C21.5Very low26Very low110 Ų110132.2 Ų132.274%0.74373%0.727SS**  trans-116.6-177.1-174.9-52.70000114
901N24.9Very low26.3Very low162 Ų162134.5 Ų134.587%0.86673%0.729SS**  trans87.4150154.9-62.6-18.9000120.2
902A24.3Very low26.2Very low80 Ų80136.2 Ų136.266%0.66173%0.726SS**  cis-170.9170.7-26.800000112.3
903Q25.7Very low26.3Very low170 Ų170137.6 Ų137.679%0.79473%0.729SS**  trans86.2108.5151.1-57.8-148.7-17.200123
904F23.1Very low26.2Very low162 Ų162138.8 Ų138.871%0.71173%0.734SS**  70.5117127.5-76.7-82000125.7
905R22.8Very low26.1Very low215 Ų215136.3 Ų136.381%0.81173%0.731SS**  trans63.7101.1134.7-82.7178.5-176.6-179.31.3123.4
906H22.5Very low25.8Very low163 Ų163138.1 Ų138.176%0.75574%0.735SS**  70.9132.7110.7-105.9-0.8000124.3
907Y24.2Very low25.5Very low172 Ų172142.9 Ų142.968%0.67574%0.736SS**  trans69.7114.6164.2-79.2-101.3000116.7
908Q26.5Very low25.1Very low153 Ų153143.6 Ų143.672%0.71574%0.736SS**  90.7139.868.3-93-158.6-0.500112.7
909T27.2Very low24.7Very low99 Ų99144.4 Ų144.461%0.60773%0.73SS**  cis-167.2-176.9-13.90.80000111.1
910N25.4Very low24.4Very low107 Ų107149.5 Ų149.557%0.57274%0.735SS**  trans96.7153.5164.2-46.9-55.5000115.3K912N910-K912 WeakPolarHBondContact OD1-CD 3.34Å; N910-K912 PolarHBondContact OD1-NZ 2.81Å; N910-K912 VanDerWaalsContact OD1-NZ 3.15Å
911Q27.7Very low24.5Very low168 Ų168149.4 Ų149.479%0.78574%0.735SS**  cis-118.1152.54.9-54-175.260.500112.7
912K25.7Very low24.4Very low159 Ų159147.2 Ų147.269%0.69173%0.727SS**  cis91.868.3-4-156.7-169.9173.7-171.30119.7N910N910-K912 WeakPolarHBondContact OD1-CD 3.34Å; N910-K912 PolarHBondContact OD1-NZ 2.81Å; N910-K912 VanDerWaalsContact OD1-NZ 3.15Å
913L27.1Very low24.6Very low140 Ų140150 Ų15073%0.73374%0.736SS**  trans-124.1127.3147-81.2104.1000108.6
914I26.1Very low24.5Very low156 Ų156150.8 Ų150.880%0.874%0.737SS**  80.313160.4-66.9167.1000111.5
915G24.7Very low24.6Very low65 Ų65148.2 Ų148.267%0.6774%0.738SS**  cis163167.4-8.600000114.6
916H22.7Very low24.7Very low174 Ų174150 Ų15081%0.80675%0.745SS**  trans53.7129.8158.2-93.7-91.7000123.9
917R23.1Very low24.9Very low212 Ų212145.4 Ų145.480%0.874%0.743SS**  trans71.5100.1139.5-86.7178.9178169.9-1.7122.5
918S21.8Very low25Very low98 Ų98148.9 Ų148.969%0.68575%0.754SS**  81.6144.1112.5710000123.7
919H22.3Very low25Very low152 Ų152150 Ų15070%0.70477%0.765SS**  trans82.1120.1159.5-82.5-74.8000122.3
920R22.6Very low24.9Very low223 Ų223148.6 Ų148.684%0.84277%0.769SS**  trans52.7136.9142.9-67.3173.6171.6169.8-4.8118.1
921S23.7Very low25.3Very low107 Ų107149.5 Ų149.575%0.74878%0.781SS**  cis-163.7138.64852.40000112.8
922V24Very low25.6Very low116 Ų116146 Ų14670%0.70377%0.773SS**  62.6105.896.2-173.10000118K924V922-K924 HydrophobicContact CG1-CG 4.4Å
923V27.9Very low25.7Very low140 Ų140146.2 Ų146.285%0.84878%0.781SS**  trans-151.8113.5137.4176.40000105.3
924K23.9Very low25.6Very low186 Ų186144.5 Ų144.581%0.80978%0.776SS**  71.4108.262-84-172.2174.1177.70116.2V922V922-K924 HydrophobicContact CG1-CG 4.4Å
925S25.8Very low25.6Very low107 Ų107146.4 Ų146.475%0.74878%0.781SS**  -175.2129.7110.462.70000115.9
926R24.6Very low25.6Very low252 Ų252150.1 Ų150.195%0.95179%0.786SS**  trans55137.8138.7-65.5176.1169.2165-4.1121.6
927G27Very low25.8Very low68 Ų68149.1 Ų149.170%0.70179%0.786SS**  cis156.4177.5-1200000116.9
928R24.8Very low25.8Very low245 Ų245146.9 Ų146.993%0.92579%0.788SS**  trans70.5152.6-178.3-61.7-179.5170.4171.8-3.6114.2
929L27.2Very low25.9Very low177 Ų177152.8 Ų152.893%0.92780%0.795SS**  cis-105.7-174.62.4-80.580.7000113.3
930G24.6Very low26Very low68 Ų68154.7 Ų154.770%0.70180%0.802SS**  trans-126.1-135.9177.600000114
931P34.1Very low26.3Very low127 Ų127153.4 Ų153.483%0.82580%0.802SS**  -130-148.6-127.538.4-17.5000112.6
932P34.6Very low26.4Very low95 Ų95157.4 Ų157.462%0.61781%0.809SS**  -122169.4-56.130.8-14.8000113.7
933L27.1Very low26.3Very low163 Ų163157.9 Ų157.985%0.85382%0.816SS**  trans-143.9150.4133.8-83.4111.9000107.5
934T25.3Very low26.3Very low104 Ų104157.3 Ų157.364%0.63881%0.813SS**  cis82.8107.68.778.50000117.9
935E25.9Very low26.3Very low195 Ų195155 Ų15591%0.91181%0.814SS**  trans61.9128.8177.8-59.1-178.3162.700114.5
936D24.2Very low26.3Very low143 Ų143156.7 Ų156.777%0.76581%0.814SS**  cis-144.3147.714.4-155.9-9.1000111.7
937L26.7Very low26.6Very low154 Ų154150.1 Ų150.181%0.80680%0.804SS**  trans172.658.5139-150.876.4000113.3R939L937-R939 PolarHBondContact O-N 3.2Å; L937-R939 VanDerWaalsContact O-N 3.11Å
938I23.9Very low26.6Very low165 Ų165154.7 Ų154.785%0.84681%0.812SS**  trans-82.981.7169.6-58-179.8000110.1
939R23.6Very low26.5Very low221 Ų221152.9 Ų152.983%0.83481%0.81SS**  trans-164.3127.2162.3-112.5164.7-168-152.52.4113.6L937L937-R939 PolarHBondContact O-N 3.2Å; L937-R939 VanDerWaalsContact O-N 3.11Å
940K25Very low26.4Very low192 Ų192154.5 Ų154.584%0.83581%0.81SS**  trans67.5133.7-175.9-49.9172.1-176.9174.10112.3
941F27.4Very low26.4Very low196 Ų196160 Ų16086%0.8682%0.815SS**  cis-115.8150.310.4-83.1-102.1000113.2
942Q27.2Very low26.1Very low191 Ų191161.2 Ų161.289%0.89381%0.812SS**  trans-82.5136170-70.6175.1-71.100111.1
943C22.5Very low25.5Very low126 Ų126161.8 Ų161.885%0.85182%0.819SS**  trans-79.6133.6162.7-50.70000110.1
944V26.2Very low25.4Very low128 Ų128158.5 Ų158.578%0.77681%0.809SS**  trans-139.6105.1149.8-175.70000109.8
945V23.7Very low25.4Very low138 Ų138159.1 Ų159.184%0.83681%0.813SS**  trans-125116.6151.6174.20000106
946L25.9Very low25.5Very low142 Ų142155.8 Ų155.874%0.74381%0.806SS**  trans-154.5105.7176.3-121.5171.3000110.7
947P31.5Very low25.5Very low114 Ų114154 Ų15474%0.7481%0.805SS**  trans-95.5126.317433.7-29000111.1
948L26.6Very low25.5Very low165 Ų165151.2 Ų151.286%0.86480%0.799SS**  trans-130.9130.1168.5-93.6170.9000111.9
949K23Very low25.6Very low206 Ų206149.2 Ų149.290%0.89679%0.794SS**  trans-84148.6175.6-66.2170.4177.6169.60110.5
950K25.3Very low25.8Very low212 Ų212146 Ų14692%0.92279%0.793SS**  trans-142.9151.4144.9-134.8171.7-176.3178.50111.9
951K25Very low25.7Very low183 Ų183141.6 Ų141.680%0.79679%0.786SS**  trans-76.8147.4-178.1-88.2-175.1175.2-178.30110.8
952I26.5Very low25.8Very low152 Ų152137 Ų13778%0.77978%0.784SS**  50.1127.291.8-49172.2000111
953S23.8Very low25.8Very low108 Ų108134 Ų13476%0.75578%0.779SS**  cis-149.5178.125.735.70000111.4
954S25.2Very low26Very low93 Ų93133.8 Ų133.865%0.6577%0.774SS**  cis-173.2-175-26.3590000109.6
955T24.8Very low26Very low118 Ų118133.2 Ų133.272%0.72477%0.771SS**  trans35.8145.9145.752.50000122
956T26.8Very low26.4Very low124 Ų124133.8 Ų133.876%0.76177%0.768SS**  cis-176.2164.55.423.40000107
957S25.8Very low26.6Very low107 Ų107132.5 Ų132.575%0.74877%0.766SS**  cis-165.7-180-13.153.20000110
958S25.5Very low26.6Very low95 Ų95132.1 Ų132.166%0.66476%0.762SS**  trans-72.4163.4161.653.20000111.5
959T27Very low26.8Very low122 Ų122130.4 Ų130.475%0.74875%0.754SS**  cis-166.2-172.3-1.416.30000108.3
960L26.3Very low27.1Very low153 Ų153128.7 Ų128.780%0.80175%0.746SS**  cis-153.4-165.918.5-155.360.3000111.8
961S24.7Very low27.3Very low100 Ų100126.8 Ų126.870%0.69974%0.738SS**  trans-49.6143.7174.454.50000119.6
962A28Very low27.4Very low99 Ų99128.2 Ų128.282%0.81874%0.738SS**  -174.6139.6107.300000115.1
963T26.9Very low27.3Very low129 Ų129127.6 Ų127.679%0.79173%0.734SS**  trans-59.7178.8163.432.30000114.7
964T28.2Very low27.5Very low122 Ų122128.9 Ų128.975%0.74873%0.731SS**  cis-130.4-134.614.8-26.10000111.2
965T26.4Very low27.6Very low116 Ų116131.6 Ų131.671%0.71274%0.736SS**  cis-158.1172.710.6-33.70000109.2
966I30.5Very low27.8Very low149 Ų149134.4 Ų134.476%0.76474%0.744SS**  trans72.7132.5170.9-63.7171.6000113.9
967T30.4Very low27.7Very low116 Ų116135.6 Ų135.671%0.71275%0.745SS**  cis-157176.2-20.230.80000106.7
968T31.4Very low27.8Very low105 Ų105139.4 Ų139.464%0.64475%0.751SS**  cis-157.815512.1-16.20000109.9
969N31.7Very low27.8Very low130 Ų130144.6 Ų144.670%0.69576%0.762SS**  trans58.7144.4151.2-71.5-31.1000120.7
970K29.7Very low27.6Very low170 Ų170143.9 Ų143.974%0.73976%0.762SS**  cis-167.2123.9-22.8-149.1172.5-170.9170.20112
971K28.8Very low27.7Very low171 Ų171145 Ų14574%0.74376%0.76SS**  trans46128.7149.3-68.6-173.5179.8-176.10124.1
972R27.7Very low27.8Very low213 Ų213148.2 Ų148.280%0.80476%0.764SS**  61.4164.4129-68.9-169172.9-175.3-3.6120.8
973M24.6Very low27.8Very low140 Ų140149.5 Ų149.569%0.6976%0.764SS**  cis-178.3157.7-32.2-166.1-160.8-71.200109
974I27.6Very low27.7Very low135 Ų135150.6 Ų150.669%0.69277%0.765SS**  trans89.7106.6160.2-51-172.6000120.5
975I27Very low27.6Very low149 Ų149151.1 Ų151.176%0.76476%0.763SS**  trans33.4117.6130.6-44.1170.7000121.1
976M28.5Very low27.5Very low178 Ų178151.3 Ų151.388%0.87777%0.769SS**  -171.9175.4111.7-102.7-149.1-179.100114.6
977N24.9Very low27.5Very low149 Ų149150.3 Ų150.380%0.79777%0.77SS**  trans-55.5165.9176.8-75.2-48.9000113.1
978Q28.2Very low27.2Very low187 Ų187151.1 Ų151.187%0.87478%0.775SS**  cis-161175.838.7-154.3165.9800113.2
979K24.9Very low27.1Very low203 Ų203154 Ų15488%0.88379%0.786SS**  trans-67.4137.8179.2-58.9171.3179174.80112.7
980S24.2Very low27Very low108 Ų108153.3 Ų153.376%0.75579%0.787SS**  176.1156.1101.967.10000115.4
981K27.5Very low26.7Very low175 Ų175151.3 Ų151.376%0.76179%0.789SS**  trans53.6112.2153.2-70.5-179.2178.1-177.10122.3
982Q26.7Very low26.8Very low169 Ų169150.8 Ų150.879%0.7979%0.793SS**  trans69.3152.1132.2-63.9173.8-8000120.6
983P28.9Very low26.8Very low126 Ų126148.2 Ų148.282%0.81879%0.793SS**  cis-111.5167.5-25.834.6-20.5000112.1
984L24.7Very low27Very low152 Ų152147 Ų14780%0.79679%0.794SS**  trans-110.4152.4-172.4-156.775.5000111.9
985D25.2Very low27Very low133 Ų133146.8 Ų146.871%0.71180%0.799SS**  trans53.988.7162.9-61.4-26.4000118.8
986S23.5Very low27Very low120 Ų120144.7 Ų144.784%0.83980%0.798SS**  -130127.4129.166.10000109.1
987T30.4Very low27Very low128 Ų128142.3 Ų142.379%0.78579%0.793SS**  trans-134.5102.6171.341.10000109.7
988T25.5Very low27.5Very low132 Ų132140.3 Ų140.381%0.8179%0.787SS**  trans-62.1143.2152.938.80000109.3
989N29.8Very low27.9Very low165 Ų165137.1 Ų137.188%0.88278%0.775SS**  trans-159.8148.4143.9-108.9-35.2000111.8
990T28.3Very low28.3Very low117 Ų117136.1 Ų136.172%0.71877%0.771SS**  trans-90.9140.7-163.710.70000113.9I992T990-I992 PolarHBondContact O-N 3.33Å
991T24.6Very low28.7Very low127 Ų127135.3 Ų135.378%0.77976%0.764SS**  trans12.6103142.755.70000118.4
992I31Very low28.9Very low160 Ų160136.3 Ų136.382%0.82176%0.763SS**  trans-132.8130.8143.7-64.6-174.2000108.8T990T990-I992 PolarHBondContact O-N 3.33Å
993I27.6Very low29.4Very low160 Ų160138.3 Ų138.382%0.82176%0.764SS**  trans-87.3124.2176.5-62.1166.3000109
994T27.6Very low29.8Very low114 Ų114140.8 Ų140.870%0.69976%0.758SS**  trans-173.2133.1143.413.20000114.6
995T27.9Very low30.3Very low131 Ų131141.6 Ų141.680%0.80476%0.755SS**  trans34.2104.114858.10000120.6
996S27.1Very low30.9Very low105 Ų105143.2 Ų143.273%0.73476%0.756SS**  trans-145.616.3163.766.90000116.9
997T29.5Very low31.8Very low128 Ų128140.5 Ų140.579%0.78574%0.737SS**SBendtrans-78.6-17.3-174.745.80000116
998T35.1Very low32.3Very low107 Ų107139.4 Ų139.466%0.65673%0.726SS**SBendtrans-89.4-22-171.251.40000115.5
999N35.9Very low32.8Very low119 Ų119137 Ų13764%0.63671%0.713SS**Hα-helixtrans-89.2-16.5-169.6-86.9-38.3000115.8
1000K33.4Very low33.2Very low183 Ų183137 Ų13780%0.79671%0.706SS**Hα-helixtrans-72.3-46.5171.8-90.3-179.6175.1174.80111.8R1002 R1003 Y1004K1000-R1002 PolarHBondContact O-N 3.19Å; K1000-R1003 PolarHBondContact O-N 2.89Å; K1000-Y1004 PolarHBondContact O-N 2.78Å
1001C32.3Very low33.8Very low90 Ų90135 Ų13561%0.60869%0.69SS**Hα-helixtrans-58.5-42.4179.6-69.20000113R1003 Y1004 F1005C1001-R1003 VanDerWaalsContact C-N 3.27Å; C1001-R1003 PolarHBondContact O-N 3.19Å; C1001-Y1004 PolarHBondContact O-N 3.17Å; C1001-F1005 PolarHBondContact O-N 3.44Å
1002R31.8Very low34.4Very low197 Ų197134.9 Ų134.974%0.74368%0.68SS**Hα-helixtrans-64.1-26.4-178.4-175.4171-85.7-155.7-3.3113.7K1000K1000-R1002 PolarHBondContact O-N 3.19Å
1003R37.6Very low35Very low211 Ų211130.3 Ų130.380%0.79666%0.661SS**Hα-helixtrans-80.3-41.4171.7-73.5-173.7177.6174.70.8112.2K1000 C1001 K1006 S1007K1000-R1003 PolarHBondContact O-N 2.89Å; C1001-R1003 VanDerWaalsContact C-N 3.27Å; C1001-R1003 PolarHBondContact O-N 3.19Å; R1003-K1006 PolarHBondContact O-N 3.12Å; R1003-S1007 PolarHBondContact O-N 3.49Å
1004Y36.4Very low36.1Very low177 Ų177126.1 Ų126.169%0.69465%0.646SS**Hα-helixtrans-63.2-44.4179.3-129.2-89.8000112.2K1000 C1001 K1006 S1007 L1008K1000-Y1004 PolarHBondContact O-N 2.78Å; C1001-Y1004 PolarHBondContact O-N 3.17Å; Y1004-K1006 PolarHBondContact O-N 3.28Å; Y1004-S1007 PolarHBondContact O-N 3.19Å; Y1004-L1008 HydrophobicContact CD1-CD1 4.04Å; Y1004-L1008 HydrophobicContact CE1-CD1 4.05Å; Y1004-L1008 PolarHBondContact O-N 3.36Å
1005F36.5Very low37.2Very low169 Ų169126.5 Ų126.574%0.74164%0.635SS**Hα-helixtrans-64.7-40.2178.6-130.3-88.2000112.6C1001 C1009C1001-F1005 PolarHBondContact O-N 3.44Å; F1005-C1009 VanDerWaalsContact O-CB 3.23Å; F1005-C1009 WeakPolarHBondContact O-CB 3.26Å; F1005-C1009 PolarHBondContact O-N 2.77Å; F1005-C1009 VanDerWaalsContact O-N 3.1Å
1006K36.7Very low38.9Very low168 Ų168124 Ų12473%0.7362%0.616SS**Hα-helixtrans-63.1-40.3173.4-104.8-170173.7-172.80111.9R1003 Y1004 F1010R1003-K1006 PolarHBondContact O-N 3.12Å; Y1004-K1006 PolarHBondContact O-N 3.28Å; K1006-F1010 WeakPolarHBondContact O-CB 3.35Å; K1006-F1010 PolarHBondContact O-N 3.48Å; K1006-F1010 VanDerWaalsContact O-N 3.08Å
1007S42.2Very low40.9Very low62 Ų62128 Ų12843%0.43462%0.615SS.*Hα-helixtrans-63.7-54.7179.1-1710000112.3R1003 Y1004 C1009 F1010 I1011R1003-S1007 PolarHBondContact O-N 3.49Å; Y1004-S1007 PolarHBondContact O-N 3.19Å; S1007-C1009 PolarHBondContact O-N 3.43Å; S1007-F1010 PolarHBondContact O-N 3.07Å; S1007-I1011 WeakPolarHBondContact O-CG1 3.48Å; S1007-I1011 PolarHBondContact O-N 3.25Å
1008L41Very low43Very low106 Ų106126.1 Ų126.156%0.55560%0.6SS**Hα-helixtrans-59.1-45179.4-104.268.9000112Y1004 F1010 I1011 H1012Y1004-L1008 HydrophobicContact CD1-CD1 4.04Å; Y1004-L1008 HydrophobicContact CE1-CD1 4.05Å; Y1004-L1008 PolarHBondContact O-N 3.36Å; L1008-F1010 PolarHBondContact O-N 3.14Å; L1008-I1011 PolarHBondContact O-N 3.24Å; L1008-H1012 PolarHBondContact O-N 3.4Å
1009C36.4Very low45Very low80 Ų80122.2 Ų122.254%0.54158%0.576SS.*Hα-helixtrans-65.4-37.4-178.6-165.10000112.5F1005 S1007 H1012 C1013F1005-C1009 VanDerWaalsContact O-CB 3.23Å; F1005-C1009 WeakPolarHBondContact O-CB 3.26Å; F1005-C1009 PolarHBondContact O-N 2.77Å; F1005-C1009 VanDerWaalsContact O-N 3.1Å; S1007-C1009 PolarHBondContact O-N 3.43Å; C1009-H1012 PolarHBondContact O-N 2.87Å; C1009-C1013 VanDerWaalsContact O-CB 3.32Å; C1009-C1013 WeakPolarHBondContact O-CB 3.33Å; C1009-C1013 PolarHBondContact O-N 3.12Å
1010F38Very low47.3Very low167 Ų167118.4 Ų118.473%0.73255%0.553SS**Hα-helixtrans-69.2-40177.2-150.5-94.8000111.7K1006 S1007 L1008 S1014K1006-F1010 WeakPolarHBondContact O-CB 3.35Å; K1006-F1010 PolarHBondContact O-N 3.48Å; K1006-F1010 VanDerWaalsContact O-N 3.08Å; S1007-F1010 PolarHBondContact O-N 3.07Å; L1008-F1010 PolarHBondContact O-N 3.14Å; F1010-S1014 VanDerWaalsContact O-CB 3.28Å; F1010-S1014 WeakPolarHBondContact O-CB 3.3Å; F1010-S1014 PolarHBondContact O-N 3.31Å
1011I40.7Very low49.8Very low73 Ų73114.2 Ų114.237%0.37454%0.539SS..Hα-helixtrans-63.7-43.2174.7-67.5167.3000110.9S1007 L1008 R1015S1007-I1011 WeakPolarHBondContact O-CG1 3.48Å; S1007-I1011 PolarHBondContact O-N 3.25Å; L1008-I1011 PolarHBondContact O-N 3.24Å; I1011-R1015 WeakPolarHBondContact O-CB 3.47Å; I1011-R1015 VanDerWaalsContact O-CG 3.3Å; I1011-R1015 WeakPolarHBondContact O-CG 3.25Å; I1011-R1015 PolarHBondContact O-N 3.33Å
1012H38.2Very low52.3Low126 Ų126112.4 Ų112.458%0.58352%0.522SS*.Hα-helixtrans-65.6-46.5178.1-127.4-84000112.1L1008 C1009 S1014 R1015 I1016L1008-H1012 PolarHBondContact O-N 3.4Å; C1009-H1012 PolarHBondContact O-N 2.87Å; H1012-S1014 VanDerWaalsContact C-N 3.32Å; H1012-S1014 PolarHBondContact O-N 3.5Å; H1012-R1015 PolarHBondContact O-N 3.36Å; H1012-I1016 WeakPolarHBondContact O-CG1 3.2Å; H1012-I1016 PolarHBondContact O-N 2.8Å
1013C43.7Very low54.9Low63 Ų63103.4 Ų103.443%0.42649%0.489SS..Hα-helixtrans-63.8-35.8178.9-170.40000112.5C1009C1009-C1013 VanDerWaalsContact O-CB 3.32Å; C1009-C1013 WeakPolarHBondContact O-CB 3.33Å; C1009-C1013 PolarHBondContact O-N 3.12Å
1014S50.8Low57.4Low72 Ų7297.2 Ų97.250%0.50347%0.47SS..Hα-helixtrans-70.4-43.5176.9-173.20000112.5F1010 H1012 I1016 R1017 L1018F1010-S1014 VanDerWaalsContact O-CB 3.28Å; F1010-S1014 WeakPolarHBondContact O-CB 3.3Å; F1010-S1014 PolarHBondContact O-N 3.31Å; H1012-S1014 VanDerWaalsContact C-N 3.32Å; H1012-S1014 PolarHBondContact O-N 3.5Å; S1014-I1016 VanDerWaalsContact C-N 3.34Å; S1014-I1016 PolarHBondContact O-N 3.37Å; S1014-R1017 PolarHBondContact O-N 2.96Å; S1014-L1018 PolarHBondContact O-N 3.21Å
1015R50.4Low60Low123 Ų12393.7 Ų93.746%0.46446%0.463SS..Hα-helixtrans-64.1-34.2-179.9-75.9175177.8177.20.2113.8I1011 H1012 T1019I1011-R1015 WeakPolarHBondContact O-CB 3.47Å; I1011-R1015 VanDerWaalsContact O-CG 3.3Å; I1011-R1015 WeakPolarHBondContact O-CG 3.25Å; I1011-R1015 PolarHBondContact O-N 3.33Å; H1012-R1015 PolarHBondContact O-N 3.36Å; R1015-T1019 PolarHBondContact O-N 3.02Å; R1015-T1019 VanDerWaalsContact O-N 3.16Å; R1015-T1019 PolarHBondContact O-OG1 2.95Å
1016I62.6Low62.6Low78 Ų7887.2 Ų87.240%0.443%0.434SS..Hα-helixtrans-62.3-51.4173.6-68167.6000109.7H1012 S1014 L1018 T1019 Y1020H1012-I1016 WeakPolarHBondContact O-CG1 3.2Å; H1012-I1016 PolarHBondContact O-N 2.8Å; S1014-I1016 VanDerWaalsContact C-N 3.34Å; S1014-I1016 PolarHBondContact O-N 3.37Å; I1016-L1018 VanDerWaalsContact C-N 3.35Å; I1016-L1018 PolarHBondContact O-N 3.23Å; I1016-T1019 PolarHBondContact O-N 3.32Å; I1016-T1019 VanDerWaalsContact O-N 3.17Å; I1016-Y1020 HydrophobicContact CG2-CD2 4.13Å; I1016-Y1020 HydrophobicContact CG2-CE2 3.75Å; I1016-Y1020 WeakPolarHBondContact O-CD2 3.27Å; I1016-Y1020 PolarHBondContact O-N 2.88Å; I1016-Y1020 VanDerWaalsContact O-N 3.17Å
1017R69.3Low65.3Low188 Ų18879.7 Ų79.771%0.70940%0.402SS*.Hα-helixtrans-57.6-42.8178-70.9-179.7175.4-179.9-1.9112.9S1014 T1019 Y1020 L1021S1014-R1017 PolarHBondContact O-N 2.96Å; R1017-T1019 PolarHBondContact O-N 3.27Å; R1017-Y1020 PolarHBondContact O-N 3Å; R1017-L1021 PolarHBondContact O-N 3.15Å
1018L75.2Confident67.7Low90 Ų9081.6 Ų81.647%0.47141%0.406SS..Hα-helixtrans-62.7-40.8178.2-177.663.1000112.3S1014 I1016 Y1020 L1021 I1022S1014-L1018 PolarHBondContact O-N 3.21Å; I1016-L1018 VanDerWaalsContact C-N 3.35Å; I1016-L1018 PolarHBondContact O-N 3.23Å; L1018-Y1020 VanDerWaalsContact C-N 3.31Å; L1018-Y1020 PolarHBondContact O-N 2.92Å; L1018-L1021 PolarHBondContact O-N 3.45Å; L1018-I1022 HydrophobicContact CD1-CD1 4.34Å; L1018-I1022 HydrophobicContact CG-CD1 4.06Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.38Å; L1018-I1022 PolarHBondContact O-N 2.97Å
1019T75.6Confident70.2Confident25 Ų2578.5 Ų78.515%0.15340%0.4CS..Hα-helixtrans-62.6-40.2177.8-57.50000111.4W582 R697 R1015 I1016 R1017 M1023W582-T1019 HydrophobicContact CH2-CG2 4.3Å; R697-T1019 HydrophobicContact CG-CG2 3.9Å; R1015-T1019 PolarHBondContact O-N 3.02Å; R1015-T1019 VanDerWaalsContact O-N 3.16Å; R1015-T1019 PolarHBondContact O-OG1 2.95Å; I1016-T1019 PolarHBondContact O-N 3.32Å; I1016-T1019 VanDerWaalsContact O-N 3.17Å; R1017-T1019 PolarHBondContact O-N 3.27Å; T1019-M1023 WeakPolarHBondContact O-CG 3.12Å; T1019-M1023 PolarHBondContact O-N 3.01Å
1020Y84.5Confident73Confident38 Ų3875.4 Ų75.415%0.14938%0.378CS..Hα-helixtrans-68.9-42.2177.9-78.3-134.4000111.3I1016 R1017 L1018 I1022 M1023 I1024 F1098 S1102 Q1105I1016-Y1020 HydrophobicContact CG2-CD2 4.13Å; I1016-Y1020 HydrophobicContact CG2-CE2 3.75Å; I1016-Y1020 WeakPolarHBondContact O-CD2 3.27Å; I1016-Y1020 PolarHBondContact O-N 2.88Å; I1016-Y1020 VanDerWaalsContact O-N 3.17Å; R1017-Y1020 PolarHBondContact O-N 3Å; L1018-Y1020 VanDerWaalsContact C-N 3.31Å; L1018-Y1020 PolarHBondContact O-N 2.92Å; Y1020-I1022 VanDerWaalsContact C-N 3.34Å; Y1020-I1022 PolarHBondContact O-N 3.25Å; Y1020-M1023 PolarHBondContact O-N 3.37Å; Y1020-M1023 VanDerWaalsContact O-N 3.15Å; Y1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; Y1020-I1024 PolarHBondContact O-N 3.17Å; Y1020-F1098 HydrophobicContact CD1-CE2 4.28Å; Y1020-F1098 AromaticContact CD1-CZ 3.78Å; Y1020-F1098 HydrophobicContact CD1-CZ 3.78Å; Y1020-F1098 HydrophobicContact CG-CE2 4.27Å; Y1020-F1098 AromaticContact CG-CZ 3.93Å; Y1020-F1098 HydrophobicContact CG-CZ 3.93Å; Y1020-S1102 WeakPolarHBondContact CE1-OG 3.24Å; Y1020-Q1105 PolarHBondContact OH-OE1 3.4Å
1021L85.7Confident75.7Confident96 Ų9670.3 Ų70.350%0.50336%0.358SS..Hα-helixtrans-57.7-45175.1-168.679.5000111.7R1017 L1018 M1023 I1024 I1025R1017-L1021 PolarHBondContact O-N 3.15Å; L1018-L1021 PolarHBondContact O-N 3.45Å; L1021-M1023 VanDerWaalsContact C-N 3.31Å; L1021-M1023 PolarHBondContact O-N 2.91Å; L1021-I1024 PolarHBondContact O-N 3.48Å; L1021-I1025 HydrophobicContact CD2-CD1 4.38Å; L1021-I1025 HydrophobicContact CG-CD1 4.06Å; L1021-I1025 VanDerWaalsContact O-CG1 3.32Å; L1021-I1025 WeakPolarHBondContact O-CG1 3.32Å; L1021-I1025 PolarHBondContact O-N 3.12Å
1022I85.4Confident78.3Confident52 Ų5270.6 Ų70.627%0.26737%0.365SS..Hα-helixtrans-60.7-39.4176.9-69.8165000111.3L1018 Y1020 I1025 K1026L1018-I1022 HydrophobicContact CD1-CD1 4.34Å; L1018-I1022 HydrophobicContact CG-CD1 4.06Å; L1018-I1022 WeakPolarHBondContact O-CG1 3.38Å; L1018-I1022 PolarHBondContact O-N 2.97Å; Y1020-I1022 VanDerWaalsContact C-N 3.34Å; Y1020-I1022 PolarHBondContact O-N 3.25Å; I1022-I1025 PolarHBondContact O-N 2.9Å; I1022-K1026 WeakPolarHBondContact O-CG 3.32Å; I1022-K1026 PolarHBondContact O-N 2.71Å
1023M86.8Confident80.9Confident8 Ų868.5 Ų68.54%0.03936%0.358CS..Hα-helixtrans-68.8-39.2176.4-67.8-53.3-54.900112.9F578 W582 T1019 Y1020 L1021 K1026 F1027 F1098F578-M1023 HydrophobicContact CE2-CE 3.67Å; F578-M1023 HydrophobicContact CZ-CE 3.94Å; W582-M1023 HydrophobicContact CH2-CG 3.75Å; W582-M1023 HydrophobicContact CZ3-CE 4.34Å; W582-M1023 HydrophobicContact CZ3-CG 3.56Å; W582-M1023 HydrophobicContact CZ3-SD 3.88Å; T1019-M1023 WeakPolarHBondContact O-CG 3.12Å; T1019-M1023 PolarHBondContact O-N 3.01Å; Y1020-M1023 PolarHBondContact O-N 3.37Å; Y1020-M1023 VanDerWaalsContact O-N 3.15Å; L1021-M1023 VanDerWaalsContact C-N 3.31Å; L1021-M1023 PolarHBondContact O-N 2.91Å; M1023-K1026 HydrophobicContact CE-CD 4.11Å; M1023-K1026 WeakPolarHBondContact O-CB 3.48Å; M1023-K1026 PolarHBondContact O-N 3.47Å; M1023-K1026 HydrophobicContact SD-CD 3.77Å; M1023-F1027 HydrophobicContact CB-CE2 4.48Å; M1023-F1027 HydrophobicContact CE-CZ 4.21Å; M1023-F1027 WeakPolarHBondContact O-CD2 3.22Å; M1023-F1027 WeakPolarHBondContact O-CG 3.43Å; M1023-F1027 PolarHBondContact O-N 3.19Å; M1023-F1098 HydrophobicContact CB-CD2 4.26Å; M1023-F1098 HydrophobicContact CB-CE2 3.75Å; M1023-F1098 HydrophobicContact CB-CZ 4.02Å; M1023-F1098 HydrophobicContact CG-CE2 4.07Å
1024I90Very high83.4Confident80 Ų8065.8 Ų65.841%0.4134%0.339SS..Hα-helixtrans-61.7-45.2174.1-67.2164.2000110.3Y1020 L1021 K1026 F1027 I1028 F1098Y1020-I1024 WeakPolarHBondContact O-CG1 3.49Å; Y1020-I1024 PolarHBondContact O-N 3.17Å; L1021-I1024 PolarHBondContact O-N 3.48Å; I1024-K1026 VanDerWaalsContact C-N 3.35Å; I1024-K1026 PolarHBondContact O-N 3.08Å; I1024-F1027 PolarHBondContact O-N 3.45Å; I1024-I1028 HydrophobicContact CG2-CD1 3.89Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.48Å; I1024-I1028 PolarHBondContact O-N 3.18Å; I1024-F1098 HydrophobicContact CG1-CE1 4.17Å
1025I90.4Very high85.4Confident104 Ų10465.3 Ų65.353%0.53333%0.329SS..Hα-helixtrans-60.9-41.8175.4-67.7164.7000111.2L1021 I1022 I1028 G1029L1021-I1025 HydrophobicContact CD2-CD1 4.38Å; L1021-I1025 HydrophobicContact CG-CD1 4.06Å; L1021-I1025 VanDerWaalsContact O-CG1 3.32Å; L1021-I1025 WeakPolarHBondContact O-CG1 3.32Å; L1021-I1025 PolarHBondContact O-N 3.12Å; I1022-I1025 PolarHBondContact O-N 2.9Å; I1025-I1028 PolarHBondContact O-N 3.28Å; I1025-G1029 PolarHBondContact O-N 3.11Å
1026K90.2Very high87.5Confident33 Ų3362.1 Ų62.114%0.14333%0.325CS..Hα-helixtrans-60.1-44.1173.7-78.2177.3174.9-172.50112.4V691 C692 F695 I1022 M1023 I1024 G1029 L1030V691-K1026 HydrophobicContact CG1-CB 4.42Å; V691-K1026 WeakPolarHBondContact O-CD 3.48Å; V691-K1026 WeakPolarHBondContact O-CE 3.38Å; V691-K1026 PolarHBondContact O-NZ 3.01Å; C692-K1026 PolarHBondContact O-NZ 3.18Å; F695-K1026 PolarHBondContact O-NZ 3.45Å; I1022-K1026 WeakPolarHBondContact O-CG 3.32Å; I1022-K1026 PolarHBondContact O-N 2.71Å; M1023-K1026 HydrophobicContact CE-CD 4.11Å; M1023-K1026 WeakPolarHBondContact O-CB 3.48Å; M1023-K1026 PolarHBondContact O-N 3.47Å; M1023-K1026 HydrophobicContact SD-CD 3.77Å; I1024-K1026 VanDerWaalsContact C-N 3.35Å; I1024-K1026 PolarHBondContact O-N 3.08Å; K1026-G1029 PolarHBondContact O-N 3.41Å; K1026-L1030 WeakPolarHBondContact O-CB 3.24Å; K1026-L1030 PolarHBondContact O-N 3.41Å
1027F93.8Very high88.9Confident10 Ų1058.7 Ų58.74%0.04431%0.308CS..Hα-helixtrans-67-40.7178.5-66.8-45.9000112.3F578 M1023 I1024 L1030 I1031 M1094 I1095 F1098F578-F1027 HydrophobicContact CD2-CZ 4.34Å; F578-F1027 HydrophobicContact CE2-CE1 4.15Å; F578-F1027 AromaticContact CE2-CZ 3.64Å; F578-F1027 HydrophobicContact CE2-CZ 3.64Å; F578-F1027 HydrophobicContact CZ-CZ 4.02Å; M1023-F1027 HydrophobicContact CB-CE2 4.48Å; M1023-F1027 HydrophobicContact CE-CZ 4.21Å; M1023-F1027 WeakPolarHBondContact O-CD2 3.22Å; M1023-F1027 WeakPolarHBondContact O-CG 3.43Å; M1023-F1027 PolarHBondContact O-N 3.19Å; I1024-F1027 PolarHBondContact O-N 3.45Å; F1027-L1030 PolarHBondContact O-N 3.15Å; F1027-I1031 WeakPolarHBondContact O-CG1 3.49Å; F1027-I1031 PolarHBondContact O-N 2.95Å; F1027-M1094 HydrophobicContact CD1-CE 4.41Å; F1027-M1094 HydrophobicContact CE1-CB 3.77Å; F1027-M1094 HydrophobicContact CE1-CE 4.13Å; F1027-M1094 HydrophobicContact CE1-SD 4.46Å; F1027-M1094 HydrophobicContact CZ-CB 4.19Å; F1027-I1095 HydrophobicContact CB-CD1 4.42Å; F1027-I1095 HydrophobicContact CB-CG1 4.35Å; F1027-I1095 HydrophobicContact CD1-CG1 4.06Å; F1027-I1095 HydrophobicContact CD2-CG1 3.96Å; F1027-I1095 HydrophobicContact CE1-CG1 4.3Å; F1027-I1095 HydrophobicContact CE2-CG1 4.19Å; F1027-I1095 HydrophobicContact CG-CD1 4.47Å; F1027-I1095 HydrophobicContact CG-CG1 3.89Å; F1027-I1095 HydrophobicContact CZ-CG1 4.35Å; F1027-F1098 HydrophobicContact CE2-CB 3.83Å; F1027-F1098 AromaticContact CE2-CD1 3.9Å; F1027-F1098 HydrophobicContact CE2-CD1 3.9Å; F1027-F1098 HydrophobicContact CE2-CD2 4.47Å; F1027-F1098 AromaticContact CE2-CG 3.82Å; F1027-F1098 HydrophobicContact CE2-CG 3.82Å; F1027-F1098 HydrophobicContact CZ-CB 4.03Å; F1027-F1098 HydrophobicContact CZ-CG 4.42Å
1028I94.2Very high90.1Very high101 Ų10152.2 Ų52.252%0.51828%0.284SS..Hα-helixtrans-60.7-49.4173.6-66.7166000110.2I1024 I1025 L1030 I1031 C1032I1024-I1028 HydrophobicContact CG2-CD1 3.89Å; I1024-I1028 WeakPolarHBondContact O-CG1 3.48Å; I1024-I1028 PolarHBondContact O-N 3.18Å; I1025-I1028 PolarHBondContact O-N 3.28Å; I1028-L1030 VanDerWaalsContact C-N 3.29Å; I1028-L1030 PolarHBondContact O-N 3.18Å; I1028-I1031 PolarHBondContact O-N 2.92Å; I1028-C1032 PolarHBondContact O-N 3.08Å; I1028-C1032 PolarHBondContact O-SG 3.38Å; I1028-C1032 VanDerWaalsContact O-SG 3.33Å
1029G92.9Very high90.9Very high42 Ų4258.8 Ų58.843%0.43330%0.302SS..Hα-helixtrans-59.3-37.4177.700000113.3I1025 K1026 L1033I1025-G1029 PolarHBondContact O-N 3.11Å; K1026-G1029 PolarHBondContact O-N 3.41Å; G1029-L1033 WeakPolarHBondContact O-CB 3.38Å; G1029-L1033 PolarHBondContact O-N 2.97Å
1030L94.4Very high91.8Very high14 Ų1460 Ų607%0.07331%0.312CS..Hα-helixtrans-67.1-43.6174.7-179.866.4000112.5V687 V691 K1026 F1027 I1028 C1032 L1033 I1034 V1091 M1094V687-L1030 HydrophobicContact CG1-CD1 3.68Å; V687-L1030 HydrophobicContact CG1-CD2 4.29Å; V691-L1030 HydrophobicContact CG2-CD1 4.15Å; V691-L1030 HydrophobicContact CG2-CD2 3.95Å; V691-L1030 HydrophobicContact CG2-CG 4.49Å; K1026-L1030 WeakPolarHBondContact O-CB 3.24Å; K1026-L1030 PolarHBondContact O-N 3.41Å; F1027-L1030 PolarHBondContact O-N 3.15Å; I1028-L1030 VanDerWaalsContact C-N 3.29Å; I1028-L1030 PolarHBondContact O-N 3.18Å; L1030-C1032 VanDerWaalsContact C-N 3.34Å; L1030-L1033 WeakPolarHBondContact O-CB 3.36Å; L1030-L1033 PolarHBondContact O-N 3.04Å; L1030-I1034 HydrophobicContact CD1-CD1 4.17Å; L1030-I1034 HydrophobicContact CG-CD1 3.88Å; L1030-I1034 WeakPolarHBondContact O-CD1 3.44Å; L1030-I1034 VanDerWaalsContact O-CG1 3.3Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.22Å; L1030-I1034 PolarHBondContact O-N 3.47Å; L1030-V1091 HydrophobicContact CD2-CG1 4.05Å; L1030-V1091 HydrophobicContact CD2-CG2 3.77Å; L1030-V1091 HydrophobicContact CG-CG2 4.39Å; L1030-M1094 HydrophobicContact CD2-CE 3.36Å
1031I95.1Very high91.8Very high61 Ų6165.6 Ų65.631%0.31333%0.333SS..Hα-helixtrans-63.2-42.7177.2-68.9164.4000110.3F1027 I1028 L1033 I1034 E1035 Y1088 V1091 I1095F1027-I1031 WeakPolarHBondContact O-CG1 3.49Å; F1027-I1031 PolarHBondContact O-N 2.95Å; I1028-I1031 PolarHBondContact O-N 2.92Å; I1031-L1033 VanDerWaalsContact C-N 3.33Å; I1031-L1033 PolarHBondContact O-N 2.87Å; I1031-I1034 PolarHBondContact O-N 3.36Å; I1031-E1035 PolarHBondContact O-N 3.04Å; I1031-Y1088 HydrophobicContact CG2-CE1 4.24Å; I1031-V1091 HydrophobicContact CG1-CG1 4.23Å; I1031-I1095 HydrophobicContact CD1-CD1 4.31Å
1032C95.1Very high91.9Very high79 Ų7963.6 Ų63.653%0.53434%0.335SS..Hα-helixtrans-62-38.2173.6-66.10000112.7I1028 L1030 S1036I1028-C1032 PolarHBondContact O-N 3.08Å; I1028-C1032 PolarHBondContact O-SG 3.38Å; I1028-C1032 VanDerWaalsContact O-SG 3.33Å; L1030-C1032 VanDerWaalsContact C-N 3.34Å; C1032-S1036 VanDerWaalsContact O-CB 3.31Å; C1032-S1036 WeakPolarHBondContact O-CB 3.37Å; C1032-S1036 PolarHBondContact O-N 3.2Å
1033L93.6Very high92Very high82 Ų8264 Ų6443%0.42934%0.335SS..Hα-helixtrans-65.1-38.8174.8-178.165.4000111.8G1029 L1030 I1031 S1036 L1037 F1043G1029-L1033 WeakPolarHBondContact O-CB 3.38Å; G1029-L1033 PolarHBondContact O-N 2.97Å; L1030-L1033 WeakPolarHBondContact O-CB 3.36Å; L1030-L1033 PolarHBondContact O-N 3.04Å; I1031-L1033 VanDerWaalsContact C-N 3.33Å; I1031-L1033 PolarHBondContact O-N 2.87Å; L1033-S1036 PolarHBondContact O-N 3.06Å; L1033-L1037 HydrophobicContact CG-CD1 4.33Å; L1033-L1037 WeakPolarHBondContact O-CG 3.47Å; L1033-L1037 PolarHBondContact O-N 2.94Å; L1033-F1043 HydrophobicContact CD1-CE1 3.91Å; L1033-F1043 HydrophobicContact CD1-CZ 4.16Å
1034I94.6Very high92.2Very high5 Ų563.7 Ų63.73%0.02633%0.334CS..Hα-helixtrans-69.5-46.4178.5-68.7159.7000111.4W684 L1030 I1031 S1036 L1037 Y1038 W1083 R1087 Y1088 V1091W684-I1034 HydrophobicContact CH2-CD1 3.76Å; W684-I1034 HydrophobicContact CH2-CG1 4.28Å; W684-I1034 HydrophobicContact CZ3-CD1 4.12Å; L1030-I1034 HydrophobicContact CD1-CD1 4.17Å; L1030-I1034 HydrophobicContact CG-CD1 3.88Å; L1030-I1034 WeakPolarHBondContact O-CD1 3.44Å; L1030-I1034 VanDerWaalsContact O-CG1 3.3Å; L1030-I1034 WeakPolarHBondContact O-CG1 3.22Å; L1030-I1034 PolarHBondContact O-N 3.47Å; I1031-I1034 PolarHBondContact O-N 3.36Å; I1034-S1036 VanDerWaalsContact C-N 3.27Å; I1034-S1036 PolarHBondContact O-N 3.23Å; I1034-L1037 PolarHBondContact O-N 3Å; I1034-Y1038 WeakPolarHBondContact O-CB 3.41Å; I1034-Y1038 PolarHBondContact O-N 3.09Å; I1034-W1083 HydrophobicContact CG2-CH2 4.11Å; I1034-W1083 HydrophobicContact CG2-CZ2 4.14Å; I1034-R1087 HydrophobicContact CG2-CB 3.86Å; I1034-R1087 HydrophobicContact CG2-CG 4.11Å; I1034-Y1088 HydrophobicContact CB-CE1 4.03Å; I1034-Y1088 HydrophobicContact CD1-CD1 4.49Å; I1034-Y1088 HydrophobicContact CD1-CE1 4.38Å; I1034-Y1088 HydrophobicContact CG2-CD1 4.26Å; I1034-Y1088 HydrophobicContact CG2-CE1 3.5Å; I1034-Y1088 VanDerWaalsContact CG2-CE1 3.5Å; I1034-V1091 HydrophobicContact CD1-CG2 3.6Å
1035E93.9Very high92.1Very high63 Ų6363.3 Ų63.329%0.29433%0.33SS..Hα-helixtrans-61.8-35.7172.7-78-59.8164.100111.3I1031 Y1038 R1039 Y1088 Y1304I1031-E1035 PolarHBondContact O-N 3.04Å; E1035-Y1038 PolarHBondContact O-N 3.22Å; E1035-Y1038 WeakPolarHBondContact OE2-CD1 3.45Å; E1035-R1039 WeakPolarHBondContact O-CB 3.44Å; E1035-R1039 PolarHBondContact O-N 3.13Å; E1035-Y1088 WeakPolarHBondContact CG-OH 3.18Å; E1035-Y1088 PolarHBondContact OE1-OH 3.23Å; E1035-Y1304 PolarHBondContact OE1-OH 3.4Å
1036S93.2Very high92Very high56 Ų5665.8 Ų65.839%0.39233%0.333SS..Hα-helixtrans-63.6-46175.2-170.60000112.6C1032 L1033 I1034 Y1038 R1039 S1040C1032-S1036 VanDerWaalsContact O-CB 3.31Å; C1032-S1036 WeakPolarHBondContact O-CB 3.37Å; C1032-S1036 PolarHBondContact O-N 3.2Å; L1033-S1036 PolarHBondContact O-N 3.06Å; I1034-S1036 VanDerWaalsContact C-N 3.27Å; I1034-S1036 PolarHBondContact O-N 3.23Å; S1036-Y1038 VanDerWaalsContact C-N 3.35Å; S1036-R1039 PolarHBondContact O-N 3.34Å; S1036-S1040 WeakPolarHBondContact O-CB 3.41Å; S1036-S1040 PolarHBondContact O-N 2.94Å
1037L93.3Very high91.8Very high6 Ų667.2 Ų67.23%0.03134%0.342CS..Hα-helixtrans-64.7-36.1174.9-78.7166.3000112.9L1033 I1034 F1043 L1047 W1083L1033-L1037 HydrophobicContact CG-CD1 4.33Å; L1033-L1037 WeakPolarHBondContact O-CG 3.47Å; L1033-L1037 PolarHBondContact O-N 2.94Å; I1034-L1037 PolarHBondContact O-N 3Å; L1037-F1043 HydrophobicContact CD2-CD1 3.48Å; L1037-F1043 VanDerWaalsContact CD2-CD1 3.48Å; L1037-F1043 HydrophobicContact CD2-CE1 3.64Å; L1037-F1043 HydrophobicContact CD2-CG 4.16Å; L1037-F1043 HydrophobicContact CD2-CZ 4.45Å; L1037-F1043 HydrophobicContact CG-CD1 3.82Å; L1037-F1043 HydrophobicContact CG-CE1 3.76Å; L1037-L1047 HydrophobicContact CD1-CD2 4.04Å; L1037-L1047 HydrophobicContact CD2-CB 4.37Å; L1037-L1047 HydrophobicContact CD2-CD2 3.71Å; L1037-W1083 HydrophobicContact CB-CH2 3.7Å; L1037-W1083 HydrophobicContact CB-CZ2 4.3Å; L1037-W1083 HydrophobicContact CB-CZ3 4.37Å; L1037-W1083 HydrophobicContact CD1-CZ2 4.49Å
1038Y93.2Very high91.4Very high52 Ų5267.3 Ų67.320%0.20434%0.342CS..Hα-helixtrans-73.6-37.1177.5173.4-111.4000112.4I1034 E1035 S1036 F1080 H1300I1034-Y1038 WeakPolarHBondContact O-CB 3.41Å; I1034-Y1038 PolarHBondContact O-N 3.09Å; E1035-Y1038 PolarHBondContact O-N 3.22Å; E1035-Y1038 WeakPolarHBondContact OE2-CD1 3.45Å; S1036-Y1038 VanDerWaalsContact C-N 3.35Å; Y1038-F1080 AromaticContact CD2-CZ 3.95Å; Y1038-F1080 HydrophobicContact CD2-CZ 3.95Å; Y1038-F1080 HydrophobicContact CE2-CZ 4.31Å; Y1038-F1080 WeakPolarHBondContact O-CZ 3.37Å; Y1038-H1300 PolarHBondContact OH-CE1 2.95Å; Y1038-H1300 PolarHBondContact OH-ND1 3.11Å
1039R93.2Very high90.9Very high227 Ų22763.2 Ų63.286%0.85732%0.32SS*.Hα-helixtrans-83.8-24-177.5-158.3174.9-162.2-177.16.1113.8E1035 S1036E1035-R1039 WeakPolarHBondContact O-CB 3.44Å; E1035-R1039 PolarHBondContact O-N 3.13Å; S1036-R1039 PolarHBondContact O-N 3.34Å
1040S93.1Very high90.4Very high51 Ų5164.6 Ų64.636%0.35732%0.324SS..  trans-116.498.2-179.2-176.70000112.2S1036 G1042 F1043 F1044S1036-S1040 WeakPolarHBondContact O-CB 3.41Å; S1036-S1040 PolarHBondContact O-N 2.94Å; S1040-G1042 PolarHBondContact O-N 3.06Å; S1040-F1043 PolarHBondContact O-N 3.37Å; S1040-F1043 VanDerWaalsContact O-N 3.08Å; S1040-F1043 PolarHBondContact OG-N 2.83Å; S1040-F1044 PolarHBondContact O-N 3.4Å
1041R85.6Confident89.6Confident155 Ų15565 Ų6559%0.58533%0.332SS*.Hα-helixtrans-55.6-39.4171.1-78.1-167.6-176.71592.2112.3F1043 F1044 H1045R1041-F1043 VanDerWaalsContact C-N 3.27Å; R1041-F1043 PolarHBondContact O-N 3.48Å; R1041-F1044 WeakPolarHBondContact O-CB 3.49Å; R1041-F1044 PolarHBondContact O-N 3.31Å; R1041-F1044 VanDerWaalsContact O-N 3.12Å; R1041-H1045 WeakPolarHBondContact O-CB 3.34Å; R1041-H1045 PolarHBondContact O-N 2.91Å
1042G87Confident88.6Confident54 Ų5467.3 Ų67.356%0.55735%0.35SS*.Hα-helixtrans-58.7-37176.500000113.2S1040 W1046S1040-G1042 PolarHBondContact O-N 3.06Å; G1042-W1046 VanDerWaalsContact O-CB 3.27Å; G1042-W1046 WeakPolarHBondContact O-CB 3.49Å; G1042-W1046 PolarHBondContact O-N 3.12Å
1043F89.2Confident87.7Confident62 Ų6266.6 Ų66.627%0.27234%0.339SS..Hα-helixtrans-75.5-35175.6-172.5-132.3000112.4L1033 L1037 S1040 R1041 W1046 L1047L1033-F1043 HydrophobicContact CD1-CE1 3.91Å; L1033-F1043 HydrophobicContact CD1-CZ 4.16Å; L1037-F1043 HydrophobicContact CD2-CD1 3.48Å; L1037-F1043 VanDerWaalsContact CD2-CD1 3.48Å; L1037-F1043 HydrophobicContact CD2-CE1 3.64Å; L1037-F1043 HydrophobicContact CD2-CG 4.16Å; L1037-F1043 HydrophobicContact CD2-CZ 4.45Å; L1037-F1043 HydrophobicContact CG-CD1 3.82Å; L1037-F1043 HydrophobicContact CG-CE1 3.76Å; S1040-F1043 PolarHBondContact O-N 3.37Å; S1040-F1043 VanDerWaalsContact O-N 3.08Å; S1040-F1043 PolarHBondContact OG-N 2.83Å; R1041-F1043 VanDerWaalsContact C-N 3.27Å; R1041-F1043 PolarHBondContact O-N 3.48Å; F1043-W1046 AromaticContact CD2-CE3 3.85Å; F1043-W1046 HydrophobicContact CD2-CE3 3.85Å; F1043-W1046 HydrophobicContact CD2-CZ3 4.38Å; F1043-W1046 AromaticContact CE2-CE3 3.7Å; F1043-W1046 HydrophobicContact CE2-CE3 3.7Å; F1043-W1046 AromaticContact CE2-CZ3 3.76Å; F1043-W1046 HydrophobicContact CE2-CZ3 3.76Å; F1043-L1047 WeakPolarHBondContact O-CB 3.34Å; F1043-L1047 PolarHBondContact O-N 3.33Å
1044F90.4Very high86.9Confident0 Ų066.6 Ų66.60%034%0.335CS..Hα-helixtrans-64.8-49.1172.8-172.1-90.2000112.1S1040 R1041 W1046 L1047 F1048 F1049 E1076 W1079 F1080 W1083S1040-F1044 PolarHBondContact O-N 3.4Å; R1041-F1044 WeakPolarHBondContact O-CB 3.49Å; R1041-F1044 PolarHBondContact O-N 3.31Å; R1041-F1044 VanDerWaalsContact O-N 3.12Å; F1044-W1046 VanDerWaalsContact C-N 3.34Å; F1044-W1046 PolarHBondContact O-N 3.36Å; F1044-L1047 PolarHBondContact O-N 3.21Å; F1044-F1048 HydrophobicContact CD1-CD2 4.05Å; F1044-F1048 AromaticContact CD2-CD2 3.79Å; F1044-F1048 HydrophobicContact CD2-CD2 3.79Å; F1044-F1048 AromaticContact CD2-CE2 3.68Å; F1044-F1048 HydrophobicContact CD2-CE2 3.68Å; F1044-F1048 AromaticContact CE1-CD2 3.88Å; F1044-F1048 HydrophobicContact CE1-CD2 3.88Å; F1044-F1048 HydrophobicContact CE1-CE2 4.46Å; F1044-F1048 AromaticContact CE2-CD2 3.62Å; F1044-F1048 HydrophobicContact CE2-CD2 3.62Å; F1044-F1048 AromaticContact CE2-CE2 3.36Å; F1044-F1048 HydrophobicContact CE2-CE2 3.36Å; F1044-F1048 HydrophobicContact CE2-CZ 4.42Å; F1044-F1048 AromaticContact CG-CD2 4Å; F1044-F1048 HydrophobicContact CG-CD2 4Å; F1044-F1048 HydrophobicContact CG-CE2 4.34Å; F1044-F1048 AromaticContact CZ-CD2 3.65Å; F1044-F1048 HydrophobicContact CZ-CD2 3.65Å; F1044-F1048 AromaticContact CZ-CE2 3.8Å; F1044-F1048 HydrophobicContact CZ-CE2 3.8Å; F1044-F1048 WeakPolarHBondContact O-CD2 3.35Å; F1044-F1048 PolarHBondContact O-N 3.38Å; F1044-F1049 HydrophobicContact CE1-CE2 4.21Å; F1044-E1076 HydrophobicContact CD1-CG 4.12Å; F1044-E1076 HydrophobicContact CE1-CG 4.27Å; F1044-W1079 AromaticContact CE1-CD1 3.79Å; F1044-W1079 HydrophobicContact CE1-CG 4.49Å; F1044-W1079 AromaticContact CZ-CD1 3.43Å; F1044-W1079 VanDerWaalsContact CZ-CD1 3.43Å; F1044-W1079 HydrophobicContact CZ-CG 4.08Å; F1044-W1079 AromaticContact CZ-NE1 3.76Å; F1044-F1080 HydrophobicContact CB-CD2 4.39Å; F1044-F1080 HydrophobicContact CD1-CB 4.22Å; F1044-F1080 AromaticContact CD1-CD2 3.89Å; F1044-F1080 HydrophobicContact CD1-CD2 3.89Å; F1044-F1080 AromaticContact CD2-CD2 3.83Å; F1044-F1080 HydrophobicContact CD2-CD2 3.83Å; F1044-F1080 HydrophobicContact CD2-CE2 4.42Å; F1044-F1080 HydrophobicContact CE1-CB 3.69Å; F1044-F1080 HydrophobicContact CE1-CD2 4.06Å; F1044-F1080 HydrophobicContact CE1-CG 4.4Å; F1044-F1080 HydrophobicContact CE2-CD2 4Å; F1044-F1080 AromaticContact CG-CD2 3.78Å; F1044-F1080 HydrophobicContact CG-CD2 3.78Å; F1044-F1080 HydrophobicContact CG-CE2 4.46Å; F1044-F1080 VanDerWaalsContact CZ-CA 3.49Å; F1044-F1080 HydrophobicContact CZ-CB 3.9Å; F1044-F1080 HydrophobicContact CZ-CD2 4.12Å; F1044-W1083 HydrophobicContact CD2-CE3 4.29Å; F1044-W1083 HydrophobicContact CD2-CZ3 4.4Å; F1044-W1083 HydrophobicContact CE2-CD2 4.02Å; F1044-W1083 AromaticContact CE2-CE3 3.74Å; F1044-W1083 HydrophobicContact CE2-CE3 3.74Å; F1044-W1083 HydrophobicContact CE2-CG 4.37Å; F1044-W1083 HydrophobicContact CE2-CZ3 4.3Å
1045H87.6Confident85.9Confident72 Ų7274.7 Ų74.733%0.33337%0.367SS..Hα-helixtrans-58.2-45.3173.8-179.5-80.7000111.1R1041 L1047 F1048 F1049 S1050 E1076R1041-H1045 WeakPolarHBondContact O-CB 3.34Å; R1041-H1045 PolarHBondContact O-N 2.91Å; H1045-L1047 VanDerWaalsContact C-N 3.33Å; H1045-L1047 PolarHBondContact O-N 3.37Å; H1045-F1048 PolarHBondContact O-N 3.49Å; H1045-F1049 WeakPolarHBondContact O-CA 3.43Å; H1045-F1049 WeakPolarHBondContact O-CB 3.44Å; H1045-F1049 PolarHBondContact O-N 2.87Å; H1045-S1050 PolarHBondContact O-N 3.26Å; H1045-E1076 IonicContact CD2-OE2 3.35Å; H1045-E1076 PolarHBondContact CD2-OE2 3.46Å; H1045-E1076 IonicContact CG-OE2 3.86Å
1046W87.6Confident85Confident156 Ų15675.3 Ų75.359%0.59137%0.371SS*.Hα-helixtrans-58-43.1176179.478.4000112.8G1042 F1043 F1044 S1050G1042-W1046 VanDerWaalsContact O-CB 3.27Å; G1042-W1046 WeakPolarHBondContact O-CB 3.49Å; G1042-W1046 PolarHBondContact O-N 3.12Å; F1043-W1046 AromaticContact CD2-CE3 3.85Å; F1043-W1046 HydrophobicContact CD2-CE3 3.85Å; F1043-W1046 HydrophobicContact CD2-CZ3 4.38Å; F1043-W1046 AromaticContact CE2-CE3 3.7Å; F1043-W1046 HydrophobicContact CE2-CE3 3.7Å; F1043-W1046 AromaticContact CE2-CZ3 3.76Å; F1043-W1046 HydrophobicContact CE2-CZ3 3.76Å; F1044-W1046 VanDerWaalsContact C-N 3.34Å; F1044-W1046 PolarHBondContact O-N 3.36Å; W1046-S1050 WeakPolarHBondContact O-CB 3.33Å
1047L86.7Confident84Confident63 Ų6373.8 Ų73.833%0.3336%0.358SS..Hα-helixtrans-69.3-42.9-179.6-175.362.1000113L1037 F1043 F1044 H1045 Q1053L1037-L1047 HydrophobicContact CD1-CD2 4.04Å; L1037-L1047 HydrophobicContact CD2-CB 4.37Å; L1037-L1047 HydrophobicContact CD2-CD2 3.71Å; F1043-L1047 WeakPolarHBondContact O-CB 3.34Å; F1043-L1047 PolarHBondContact O-N 3.33Å; F1044-L1047 PolarHBondContact O-N 3.21Å; H1045-L1047 VanDerWaalsContact C-N 3.33Å; H1045-L1047 PolarHBondContact O-N 3.37Å; L1047-Q1053 PolarHBondContact O-NE2 3.43Å
1048F86Confident82.8Confident12 Ų1276.4 Ų76.45%0.05337%0.37CS..Hα-helixtrans-102.3-21.7-170.1-67.5-70.6000115.3F683 F1044 H1045 Q1053 F1057 W1079F683-F1048 HydrophobicContact CD2-CE1 4.18Å; F683-F1048 HydrophobicContact CD2-CZ 4.08Å; F683-F1048 HydrophobicContact CE2-CE1 4.24Å; F683-F1048 AromaticContact CE2-CZ 3.75Å; F683-F1048 HydrophobicContact CE2-CZ 3.75Å; F1044-F1048 HydrophobicContact CD1-CD2 4.05Å; F1044-F1048 AromaticContact CD2-CD2 3.79Å; F1044-F1048 HydrophobicContact CD2-CD2 3.79Å; F1044-F1048 AromaticContact CD2-CE2 3.68Å; F1044-F1048 HydrophobicContact CD2-CE2 3.68Å; F1044-F1048 AromaticContact CE1-CD2 3.88Å; F1044-F1048 HydrophobicContact CE1-CD2 3.88Å; F1044-F1048 HydrophobicContact CE1-CE2 4.46Å; F1044-F1048 AromaticContact CE2-CD2 3.62Å; F1044-F1048 HydrophobicContact CE2-CD2 3.62Å; F1044-F1048 AromaticContact CE2-CE2 3.36Å; F1044-F1048 HydrophobicContact CE2-CE2 3.36Å; F1044-F1048 HydrophobicContact CE2-CZ 4.42Å; F1044-F1048 AromaticContact CG-CD2 4Å; F1044-F1048 HydrophobicContact CG-CD2 4Å; F1044-F1048 HydrophobicContact CG-CE2 4.34Å; F1044-F1048 AromaticContact CZ-CD2 3.65Å; F1044-F1048 HydrophobicContact CZ-CD2 3.65Å; F1044-F1048 AromaticContact CZ-CE2 3.8Å; F1044-F1048 HydrophobicContact CZ-CE2 3.8Å; F1044-F1048 WeakPolarHBondContact O-CD2 3.35Å; F1044-F1048 PolarHBondContact O-N 3.38Å; H1045-F1048 PolarHBondContact O-N 3.49Å; F1048-Q1053 WeakPolarHBondContact O-CG 3.24Å; F1048-F1057 HydrophobicContact CB-CD2 4.33Å; F1048-F1057 HydrophobicContact CD1-CD2 4.26Å; F1048-F1057 HydrophobicContact CD1-CE1 4.25Å; F1048-F1057 AromaticContact CD1-CE2 3.69Å; F1048-F1057 HydrophobicContact CD1-CE2 3.69Å; F1048-F1057 AromaticContact CD1-CZ 3.68Å; F1048-F1057 HydrophobicContact CD1-CZ 3.68Å; F1048-F1057 HydrophobicContact CE1-CE2 4.47Å; F1048-F1057 HydrophobicContact CE1-CZ 4.07Å; F1048-W1079 AromaticContact CD1-NE1 3.47Å; F1048-W1079 AromaticContact CD2-NE1 3.8Å; F1048-W1079 HydrophobicContact CE1-CZ2 4.28Å; F1048-W1079 AromaticContact CE1-NE1 3.52Å; F1048-W1079 AromaticContact CE2-NE1 3.86Å; F1048-W1079 AromaticContact CG-CD1 4Å; F1048-W1079 AromaticContact CG-NE1 3.61Å; F1048-W1079 HydrophobicContact CZ-CZ2 4.46Å; F1048-W1079 AromaticContact CZ-NE1 3.72Å
1049F83.4Confident81.3Confident15 Ų1577 Ų777%0.06637%0.372CS..Hα-helixtrans-127.4-10.6-168.9-63.4-91.6000115F1044 H1045 G1051 K1054 F1057 D1075 E1076F1044-F1049 HydrophobicContact CE1-CE2 4.21Å; H1045-F1049 WeakPolarHBondContact O-CA 3.43Å; H1045-F1049 WeakPolarHBondContact O-CB 3.44Å; H1045-F1049 PolarHBondContact O-N 2.87Å; F1049-G1051 VanDerWaalsContact C-N 3.35Å; F1049-G1051 PolarHBondContact O-N 3.35Å; F1049-K1054 HydrophobicContact CD1-CG 4.16Å; F1049-F1057 HydrophobicContact CE1-CB 3.91Å; F1049-F1057 HydrophobicContact CZ-CB 3.9Å; F1049-D1075 HydrophobicContact CE1-CB 4.4Å; F1049-E1076 HydrophobicContact CD2-CG 4.32Å; F1049-E1076 HydrophobicContact CE2-CB 4.12Å; F1049-E1076 HydrophobicContact CE2-CG 3.95Å; F1049-E1076 HydrophobicContact CZ-CB 4.2Å
1050S81.3Confident79.5Confident72 Ų7271 Ų7150%0.50335%0.354SS..SBendtrans-8711.8176.5-65.60000115.6H1045 W1046H1045-S1050 PolarHBondContact O-N 3.26Å; W1046-S1050 WeakPolarHBondContact O-CB 3.33Å
1051G79Confident77.4Confident23 Ų2376.2 Ų76.224%0.23737%0.365CS..SBendtrans-143.9-177.5179.900000113.2F1049 Q1053 K1054F1049-G1051 VanDerWaalsContact C-N 3.35Å; F1049-G1051 PolarHBondContact O-N 3.35Å; G1051-Q1053 VanDerWaalsContact CA-OE1 3.32Å; G1051-Q1053 PolarHBondContact O-N 2.93Å; G1051-K1054 VanDerWaalsContact O-CB 3.28Å; G1051-K1054 WeakPolarHBondContact O-CB 3.45Å; G1051-K1054 PolarHBondContact O-N 2.93Å
1052P74.1Confident75.5Confident108 Ų10873.7 Ų73.770%0.70136%0.361SS*.THydrogen-bonded Turntrans-59.9-19.3-177.825.8-35.4000113.6K1054 Y1055P1052-K1054 PolarHBondContact O-N 3.37Å; P1052-Y1055 WeakPolarHBondContact O-CD2 3.22Å
1053Q76.7Confident73Confident64 Ų6475.9 Ų75.930%0.29937%0.365SS..THydrogen-bonded Turntrans-62-16.5170.568.9-82.91700113.9L1047 F1048 G1051 Y1055 I1056 F1057L1047-Q1053 PolarHBondContact O-NE2 3.43Å; F1048-Q1053 WeakPolarHBondContact O-CG 3.24Å; G1051-Q1053 VanDerWaalsContact CA-OE1 3.32Å; G1051-Q1053 PolarHBondContact O-N 2.93Å; Q1053-Y1055 VanDerWaalsContact C-N 3.25Å; Q1053-Y1055 PolarHBondContact O-N 2.96Å; Q1053-I1056 HydrophobicContact CB-CD1 4.49Å; Q1053-I1056 VanDerWaalsContact O-CB 3.29Å; Q1053-I1056 WeakPolarHBondContact O-CB 3.24Å; Q1053-I1056 PolarHBondContact O-N 3Å; Q1053-F1057 HydrophobicContact CB-CE2 4.31Å; Q1053-F1057 HydrophobicContact CG-CE2 4.45Å; Q1053-F1057 VanDerWaalsContact O-CD2 3.28Å; Q1053-F1057 WeakPolarHBondContact O-CD2 3.4Å; Q1053-F1057 PolarHBondContact O-N 3.14Å
1054K76.8Confident70.7Confident82 Ų8276 Ų7636%0.35737%0.371SS..Hα-helixtrans-50.3-44.2175177.1170.2179.9174.80112.4F1049 G1051 P1052 I1056 F1057 Q1058F1049-K1054 HydrophobicContact CD1-CG 4.16Å; G1051-K1054 VanDerWaalsContact O-CB 3.28Å; G1051-K1054 WeakPolarHBondContact O-CB 3.45Å; G1051-K1054 PolarHBondContact O-N 2.93Å; P1052-K1054 PolarHBondContact O-N 3.37Å; K1054-I1056 PolarHBondContact O-N 3.4Å; K1054-F1057 PolarHBondContact O-N 2.97Å; K1054-F1057 VanDerWaalsContact O-N 3.08Å; K1054-Q1058 PolarHBondContact O-N 3.38Å; K1054-Q1058 VanDerWaalsContact O-N 3.15Å
1055Y73Confident68.2Low176 Ų17682.5 Ų82.569%0.6941%0.413SS*.Hα-helixtrans-64.4-21.1-179.7-59.2-67.2000113.6P1052 Q1053P1052-Y1055 WeakPolarHBondContact O-CD2 3.22Å; Q1053-Y1055 VanDerWaalsContact C-N 3.25Å; Q1053-Y1055 PolarHBondContact O-N 2.96Å
1056I74.9Confident65.9Low75 Ų7583.6 Ų83.639%0.38543%0.428SS..Hα-helixtrans-77.7-34.1176-57.9175.4000110.6Y672 Q1053 K1054Y672-I1056 HydrophobicContact CD1-CG2 3.3Å; Y672-I1056 WeakPolarHBondContact CD1-O 3.4Å; Y672-I1056 HydrophobicContact CE1-CG2 3.46Å; Y672-I1056 VanDerWaalsContact CE1-CG2 3.46Å; Y672-I1056 HydrophobicContact CG-CG2 4.27Å; Q1053-I1056 HydrophobicContact CB-CD1 4.49Å; Q1053-I1056 VanDerWaalsContact O-CB 3.29Å; Q1053-I1056 WeakPolarHBondContact O-CB 3.24Å; Q1053-I1056 PolarHBondContact O-N 3Å; K1054-I1056 PolarHBondContact O-N 3.4Å
1057F71.5Confident63.7Low25 Ų2578.9 Ų78.911%0.1142%0.417CS..Hα-helixtrans-93.1-2.2-178.5-63.1-73.4000114.1L673 F1048 F1049 Q1053 K1054 W1079L673-F1057 WeakPolarHBondContact CD2-O 3.32Å; F1048-F1057 HydrophobicContact CB-CD2 4.33Å; F1048-F1057 HydrophobicContact CD1-CD2 4.26Å; F1048-F1057 HydrophobicContact CD1-CE1 4.25Å; F1048-F1057 AromaticContact CD1-CE2 3.69Å; F1048-F1057 HydrophobicContact CD1-CE2 3.69Å; F1048-F1057 AromaticContact CD1-CZ 3.68Å; F1048-F1057 HydrophobicContact CD1-CZ 3.68Å; F1048-F1057 HydrophobicContact CE1-CE2 4.47Å; F1048-F1057 HydrophobicContact CE1-CZ 4.07Å; F1049-F1057 HydrophobicContact CE1-CB 3.91Å; F1049-F1057 HydrophobicContact CZ-CB 3.9Å; Q1053-F1057 HydrophobicContact CB-CE2 4.31Å; Q1053-F1057 HydrophobicContact CG-CE2 4.45Å; Q1053-F1057 VanDerWaalsContact O-CD2 3.28Å; Q1053-F1057 WeakPolarHBondContact O-CD2 3.4Å; Q1053-F1057 PolarHBondContact O-N 3.14Å; K1054-F1057 PolarHBondContact O-N 2.97Å; K1054-F1057 VanDerWaalsContact O-N 3.08Å; F1057-W1079 AromaticContact CD1-CD1 3.82Å; F1057-W1079 HydrophobicContact CD1-CD2 4.08Å; F1057-W1079 AromaticContact CD1-CE2 3.93Å; F1057-W1079 HydrophobicContact CD1-CG 4.04Å; F1057-W1079 AromaticContact CD1-NE1 3.77Å; F1057-W1079 HydrophobicContact CE1-CD2 4.18Å; F1057-W1079 AromaticContact CE1-CE2 3.62Å; F1057-W1079 AromaticContact CE1-CZ2 3.84Å; F1057-W1079 HydrophobicContact CE1-CZ2 3.84Å; F1057-W1079 AromaticContact CE1-NE1 3.63Å
1058Q67.7Low61.6Low60 Ų6084.1 Ų84.128%0.2844%0.44SS..  trans-71.8130.2178.6-158.7176.9-3.400111.6K1054 H1060 D1075K1054-Q1058 PolarHBondContact O-N 3.38Å; K1054-Q1058 VanDerWaalsContact O-N 3.15Å; Q1058-H1060 PolarHBondContact O-N 3.31Å; Q1058-D1075 VanDerWaalsContact CA-OD2 3.24Å; Q1058-D1075 WeakPolarHBondContact CA-OD2 3.33Å; Q1058-D1075 WeakPolarHBondContact CG-OD2 3.49Å
1059Y62.4Low59.6Low65 Ų6591.5 Ų91.526%0.25548%0.475SS..  trans-96.589.5-179.7-176.3-100000110L673 A674 R1061 D1075L673-Y1059 HydrophobicContact CB-CD2 4.49Å; A674-Y1059 HydrophobicContact CB-CE2 4.38Å; Y1059-R1061 HydrophobicContact CD1-CB 4.27Å; Y1059-R1061 HydrophobicContact CE1-CB 4.14Å; Y1059-R1061 PolarHBondContact O-N 3.06Å; Y1059-D1075 WeakPolarHBondContact CB-OD1 3.19Å; Y1059-D1075 VanDerWaalsContact N-CG 3.34Å; Y1059-D1075 PolarHBondContact N-OD2 2.93Å
1060H55.4Low57.9Low101 Ų10194.5 Ų94.547%0.46849%0.491SS..  trans-61.494175.1-96.944.7000112.1Q1058Q1058-H1060 PolarHBondContact O-N 3.31Å
1061R49.9Very low56.5Low160 Ų16093.4 Ų93.460%0.60448%0.481SS*.  trans-108.5141.9155.1175175.9-72.6-174.7-4.7106.7Y1059Y1059-R1061 HydrophobicContact CD1-CB 4.27Å; Y1059-R1061 HydrophobicContact CE1-CB 4.14Å; Y1059-R1061 PolarHBondContact O-N 3.06Å
1062E45.1Very low55.2Low103 Ų10396 Ų9648%0.48149%0.493SS..  trans-56.5129.9176.6-63.7-175.114700110T1064E1062-T1064 PolarHBondContact O-N 3.11Å
1063P35.5Very low54.5Low100 Ų10094.9 Ų94.965%0.64948%0.481SS*.  trans-71.3112.1176.928.5-32.5000109.3
1064T39.5Very low54.1Low65 Ų6595.2 Ų95.240%0.39949%0.485SS..  trans-61.3132.8159.445.70000108.2E1062 S1066E1062-T1064 PolarHBondContact O-N 3.11Å; T1064-S1066 PolarHBondContact O-N 3.28Å
1065P39.1Very low53.8Low135 Ų13591.8 Ų91.888%0.87747%0.47SS*.THydrogen-bonded Turntrans-70.713.7-158.326.9-36.9000116.5
1066S37.9Very low54.2Low95 Ų9584.7 Ų84.766%0.66444%0.443SS*.THydrogen-bonded Turntrans-101.2-18.5-17554.90000115.4T1064T1064-S1066 PolarHBondContact O-N 3.28Å
1067T41Very low54.6Low58 Ų5885.4 Ų85.436%0.35644%0.444SS..  trans-149.6101.7-169.249.70000112.7V1071T1067-V1071 WeakPolarHBondContact O-CG2 3.37Å
1068Q43.1Very low55.1Low173 Ų17386.5 Ų86.581%0.80845%0.452SS*.SBendtrans-95.1-30.1177.6-164.7155.6-30.100113
1069E43.9Very low56Low166 Ų16683.6 Ų83.678%0.77644%0.439SS*.Hα-helixtrans-70.6-43.8177.6-62.9-166.7121.700112.8V1071 T1072 N1073E1069-V1071 PolarHBondContact O-N 3.34Å; E1069-T1072 PolarHBondContact O-N 3.41Å; E1069-T1072 PolarHBondContact O-OG1 3.31Å; E1069-N1073 PolarHBondContact O-N 3.44Å
1070D48.3Very low57.4Low79 Ų7981.8 Ų81.842%0.42243%0.432SS..Hα-helixtrans-57.5-33.5-179.6-90.1-44.7000113.4T1072 N1073 N1074D1070-T1072 VanDerWaalsContact C-N 3.34Å; D1070-T1072 PolarHBondContact O-N 2.91Å; D1070-N1073 PolarHBondContact O-N 3.16Å; D1070-N1074 WeakPolarHBondContact O-CB 3.34Å; D1070-N1074 PolarHBondContact O-N 2.91Å; D1070-N1074 PolarHBondContact O-ND2 3.43Å; D1070-N1074 VanDerWaalsContact O-ND2 3.07Å
1071V50.9Low59Low48 Ų4882.4 Ų82.429%0.29143%0.434SS..Hα-helixtrans-59-47.6-179.3-178.90000110.3T1067 E1069 N1073 N1074 D1075T1067-V1071 WeakPolarHBondContact O-CG2 3.37Å; E1069-V1071 PolarHBondContact O-N 3.34Å; V1071-N1073 PolarHBondContact O-N 3.14Å; V1071-N1074 PolarHBondContact O-N 3.07Å; V1071-N1074 VanDerWaalsContact O-N 3.14Å; V1071-D1075 PolarHBondContact O-N 3.39Å; V1071-D1075 VanDerWaalsContact O-N 3.16Å
1072T52.1Low60.8Low79 Ų7978 Ų7849%0.48542%0.417SS..Hα-helixtrans-64.9-40.1-179.267.40000112.3E1069 D1070 N1074E1069-T1072 PolarHBondContact O-N 3.41Å; E1069-T1072 PolarHBondContact O-OG1 3.31Å; D1070-T1072 VanDerWaalsContact C-N 3.34Å; D1070-T1072 PolarHBondContact O-N 2.91Å; T1072-N1074 VanDerWaalsContact C-N 3.3Å; T1072-N1074 PolarHBondContact O-N 3.2Å
1073N59.4Low63.1Low84 Ų8473.1 Ų73.145%0.44939%0.394SS..Hα-helixtrans-64.9-32.4175-97.1-60.5000112.4E1069 D1070 V1071 K1077E1069-N1073 PolarHBondContact O-N 3.44Å; D1070-N1073 PolarHBondContact O-N 3.16Å; V1071-N1073 PolarHBondContact O-N 3.14Å; N1073-K1077 VanDerWaalsContact O-CD 3.26Å; N1073-K1077 WeakPolarHBondContact O-CD 3.38Å; N1073-K1077 WeakPolarHBondContact O-CE 3.28Å; N1073-K1077 WeakPolarHBondContact O-CG 3.42Å; N1073-K1077 PolarHBondContact O-N 2.88Å
1074N67.9Low65.8Low70 Ų7069 Ų6937%0.37437%0.368SS..Hα-helixtrans-78.3-33.2-178.3-70.3-27.3000112.7D1070 V1071 T1072 K1077 V1078D1070-N1074 WeakPolarHBondContact O-CB 3.34Å; D1070-N1074 PolarHBondContact O-N 2.91Å; D1070-N1074 PolarHBondContact O-ND2 3.43Å; D1070-N1074 VanDerWaalsContact O-ND2 3.07Å; V1071-N1074 PolarHBondContact O-N 3.07Å; V1071-N1074 VanDerWaalsContact O-N 3.14Å; T1072-N1074 VanDerWaalsContact C-N 3.3Å; T1072-N1074 PolarHBondContact O-N 3.2Å; N1074-K1077 PolarHBondContact O-N 3.31Å; N1074-K1077 PolarHBondContact OD1-NZ 3.39Å; N1074-V1078 WeakPolarHBondContact O-CB 3.35Å; N1074-V1078 VanDerWaalsContact O-CG2 3.29Å; N1074-V1078 WeakPolarHBondContact O-CG2 3.41Å; N1074-V1078 PolarHBondContact O-N 3.34Å
1075D71.1Confident68.3Low10 Ų1066.4 Ų66.45%0.05335%0.352CS..Hα-helixtrans-63.4-45.2177.3-72.46.2000112.3F1049 Q1058 Y1059 V1071 V1078 W1079F1049-D1075 HydrophobicContact CE1-CB 4.4Å; Q1058-D1075 VanDerWaalsContact CA-OD2 3.24Å; Q1058-D1075 WeakPolarHBondContact CA-OD2 3.33Å; Q1058-D1075 WeakPolarHBondContact CG-OD2 3.49Å; Y1059-D1075 WeakPolarHBondContact CB-OD1 3.19Å; Y1059-D1075 VanDerWaalsContact N-CG 3.34Å; Y1059-D1075 PolarHBondContact N-OD2 2.93Å; V1071-D1075 PolarHBondContact O-N 3.39Å; V1071-D1075 VanDerWaalsContact O-N 3.16Å; D1075-V1078 PolarHBondContact O-N 3.07Å; D1075-W1079 PolarHBondContact O-N 3.11Å; D1075-W1079 VanDerWaalsContact O-N 3.11Å
1076E81.7Confident70.8Confident27 Ų2760.1 Ų60.113%0.12631%0.31CS..Hα-helixtrans-60.8-49.5173.5-169.5-163.5133.700110.8F1044 H1045 F1049 V1078 W1079 F1080F1044-E1076 HydrophobicContact CD1-CG 4.12Å; F1044-E1076 HydrophobicContact CE1-CG 4.27Å; H1045-E1076 IonicContact CD2-OE2 3.35Å; H1045-E1076 PolarHBondContact CD2-OE2 3.46Å; H1045-E1076 IonicContact CG-OE2 3.86Å; F1049-E1076 HydrophobicContact CD2-CG 4.32Å; F1049-E1076 HydrophobicContact CE2-CB 4.12Å; F1049-E1076 HydrophobicContact CE2-CG 3.95Å; F1049-E1076 HydrophobicContact CZ-CB 4.2Å; E1076-V1078 VanDerWaalsContact C-N 3.3Å; E1076-V1078 PolarHBondContact O-N 2.83Å; E1076-W1079 PolarHBondContact O-N 2.83Å; E1076-F1080 WeakPolarHBondContact O-CB 3.38Å; E1076-F1080 PolarHBondContact O-N 2.82Å
1077K82.1Confident73.4Confident91 Ų9155.8 Ų55.840%0.39628%0.28SS..Hα-helixtrans-55.1-44.4178.8-69.9166.1-153.2163.70111.5N1073 N1074 F1081N1073-K1077 VanDerWaalsContact O-CD 3.26Å; N1073-K1077 WeakPolarHBondContact O-CD 3.38Å; N1073-K1077 WeakPolarHBondContact O-CE 3.28Å; N1073-K1077 WeakPolarHBondContact O-CG 3.42Å; N1073-K1077 PolarHBondContact O-N 2.88Å; N1074-K1077 PolarHBondContact O-N 3.31Å; N1074-K1077 PolarHBondContact OD1-NZ 3.39Å; K1077-F1081 WeakPolarHBondContact O-CB 3.47Å; K1077-F1081 PolarHBondContact O-N 3.26Å
1078V83Confident76Confident47 Ų4753.4 Ų53.429%0.28526%0.264SS..Hα-helixtrans-66.8-44.4-178.61700000111.7L673 N1074 D1075 E1076 R1082L673-V1078 HydrophobicContact CD2-CB 4.4Å; L673-V1078 HydrophobicContact CD2-CG1 3.96Å; L673-V1078 HydrophobicContact CG-CG1 4.44Å; N1074-V1078 WeakPolarHBondContact O-CB 3.35Å; N1074-V1078 VanDerWaalsContact O-CG2 3.29Å; N1074-V1078 WeakPolarHBondContact O-CG2 3.41Å; N1074-V1078 PolarHBondContact O-N 3.34Å; D1075-V1078 PolarHBondContact O-N 3.07Å; E1076-V1078 VanDerWaalsContact C-N 3.3Å; E1076-V1078 PolarHBondContact O-N 2.83Å; V1078-R1082 WeakPolarHBondContact O-CB 3.33Å; V1078-R1082 WeakPolarHBondContact O-CD 3.5Å; V1078-R1082 VanDerWaalsContact O-CG 3.22Å; V1078-R1082 WeakPolarHBondContact O-CG 3.45Å; V1078-R1082 PolarHBondContact O-N 3.11Å; V1078-R1082 VanDerWaalsContact O-N 3.12Å
1079W87.1Confident78.5Confident0 Ų045.2 Ų45.20%023%0.226CC..Hα-helixtrans-70.7-45.4177.5179.2-133.2000112.1L673 P679 L680 F1044 F1048 F1057 D1075 E1076 F1081 R1082 W1083L673-W1079 HydrophobicContact CD1-CB 4.15Å; L673-W1079 HydrophobicContact CD1-CD2 4.15Å; L673-W1079 HydrophobicContact CD1-CE3 3.64Å; L673-W1079 HydrophobicContact CD1-CG 4.39Å; L673-W1079 HydrophobicContact CD1-CZ3 4.4Å; L673-W1079 HydrophobicContact CD2-CB 4.03Å; P679-W1079 HydrophobicContact CB-CH2 4.2Å; P679-W1079 HydrophobicContact CB-CZ3 4.36Å; L680-W1079 HydrophobicContact CB-CH2 4.22Å; L680-W1079 HydrophobicContact CB-CZ3 4.31Å; L680-W1079 HydrophobicContact CD1-CH2 4.04Å; L680-W1079 HydrophobicContact CD1-CZ3 4.4Å; F1044-W1079 AromaticContact CE1-CD1 3.79Å; F1044-W1079 HydrophobicContact CE1-CG 4.49Å; F1044-W1079 AromaticContact CZ-CD1 3.43Å; F1044-W1079 VanDerWaalsContact CZ-CD1 3.43Å; F1044-W1079 HydrophobicContact CZ-CG 4.08Å; F1044-W1079 AromaticContact CZ-NE1 3.76Å; F1048-W1079 AromaticContact CD1-NE1 3.47Å; F1048-W1079 AromaticContact CD2-NE1 3.8Å; F1048-W1079 HydrophobicContact CE1-CZ2 4.28Å; F1048-W1079 AromaticContact CE1-NE1 3.52Å; F1048-W1079 AromaticContact CE2-NE1 3.86Å; F1048-W1079 AromaticContact CG-CD1 4Å; F1048-W1079 AromaticContact CG-NE1 3.61Å; F1048-W1079 HydrophobicContact CZ-CZ2 4.46Å; F1048-W1079 AromaticContact CZ-NE1 3.72Å; F1057-W1079 AromaticContact CD1-CD1 3.82Å; F1057-W1079 HydrophobicContact CD1-CD2 4.08Å; F1057-W1079 AromaticContact CD1-CE2 3.93Å; F1057-W1079 HydrophobicContact CD1-CG 4.04Å; F1057-W1079 AromaticContact CD1-NE1 3.77Å; F1057-W1079 HydrophobicContact CE1-CD2 4.18Å; F1057-W1079 AromaticContact CE1-CE2 3.62Å; F1057-W1079 AromaticContact CE1-CZ2 3.84Å; F1057-W1079 HydrophobicContact CE1-CZ2 3.84Å; F1057-W1079 AromaticContact CE1-NE1 3.63Å; D1075-W1079 PolarHBondContact O-N 3.11Å; D1075-W1079 VanDerWaalsContact O-N 3.11Å; E1076-W1079 PolarHBondContact O-N 2.83Å; W1079-F1081 PolarHBondContact O-N 3.27Å; W1079-R1082 PolarHBondContact O-N 2.97Å; W1079-W1083 HydrophobicContact CZ2-CB 4.49Å; W1079-W1083 WeakPolarHBondContact O-CB 3.42Å; W1079-W1083 PolarHBondContact O-N 3.13Å
1080F90.5Very high81Confident27 Ų2737.3 Ų37.312%0.11819%0.189CC..Hα-helixtrans-57-47.4176.6-179.6-92.1000111.9Y1038 F1044 E1076 W1083 S1084Y1038-F1080 AromaticContact CD2-CZ 3.95Å; Y1038-F1080 HydrophobicContact CD2-CZ 3.95Å; Y1038-F1080 HydrophobicContact CE2-CZ 4.31Å; Y1038-F1080 WeakPolarHBondContact O-CZ 3.37Å; F1044-F1080 HydrophobicContact CB-CD2 4.39Å; F1044-F1080 HydrophobicContact CD1-CB 4.22Å; F1044-F1080 AromaticContact CD1-CD2 3.89Å; F1044-F1080 HydrophobicContact CD1-CD2 3.89Å; F1044-F1080 AromaticContact CD2-CD2 3.83Å; F1044-F1080 HydrophobicContact CD2-CD2 3.83Å; F1044-F1080 HydrophobicContact CD2-CE2 4.42Å; F1044-F1080 HydrophobicContact CE1-CB 3.69Å; F1044-F1080 HydrophobicContact CE1-CD2 4.06Å; F1044-F1080 HydrophobicContact CE1-CG 4.4Å; F1044-F1080 HydrophobicContact CE2-CD2 4Å; F1044-F1080 AromaticContact CG-CD2 3.78Å; F1044-F1080 HydrophobicContact CG-CD2 3.78Å; F1044-F1080 HydrophobicContact CG-CE2 4.46Å; F1044-F1080 VanDerWaalsContact CZ-CA 3.49Å; F1044-F1080 HydrophobicContact CZ-CB 3.9Å; F1044-F1080 HydrophobicContact CZ-CD2 4.12Å; E1076-F1080 WeakPolarHBondContact O-CB 3.38Å; E1076-F1080 PolarHBondContact O-N 2.82Å; F1080-W1083 PolarHBondContact O-N 2.96Å; F1080-S1084 WeakPolarHBondContact O-CB 3.47Å; F1080-S1084 PolarHBondContact O-N 3.4Å; F1080-S1084 PolarHBondContact O-OG 3.43Å
1081F89.3Confident83.2Confident113 Ų11333.6 Ų33.650%0.49617%0.169SC..Hα-helixtrans-59.8-51.1176179.4-107.8000111.4K1077 W1079 W1083 S1084 I1085 L1299K1077-F1081 WeakPolarHBondContact O-CB 3.47Å; K1077-F1081 PolarHBondContact O-N 3.26Å; W1079-F1081 PolarHBondContact O-N 3.27Å; F1081-W1083 VanDerWaalsContact C-N 3.34Å; F1081-W1083 PolarHBondContact O-N 3.24Å; F1081-S1084 PolarHBondContact O-N 3.47Å; F1081-S1084 PolarHBondContact O-OG 2.98Å; F1081-S1084 VanDerWaalsContact O-OG 3.06Å; F1081-I1085 HydrophobicContact CD1-CD1 4.09Å; F1081-I1085 HydrophobicContact CD2-CD1 4.39Å; F1081-I1085 HydrophobicContact CE1-CD1 3.8Å; F1081-I1085 HydrophobicContact CE2-CD1 4.12Å; F1081-I1085 HydrophobicContact CG-CD1 4.39Å; F1081-I1085 HydrophobicContact CZ-CD1 3.82Å; F1081-I1085 WeakPolarHBondContact O-CD1 3.35Å; F1081-I1085 WeakPolarHBondContact O-CG1 3.35Å; F1081-I1085 PolarHBondContact O-N 2.97Å; F1081-L1299 HydrophobicContact CE2-CD1 4.47Å; F1081-L1299 HydrophobicContact CZ-CD1 4.12Å
1082R89Confident85.4Confident68 Ų6833.3 Ų33.326%0.25716%0.163SC..Hα-helixtrans-64.6-33.6-178.1-73.1170.7172.1-168.6-3.9113.6L673 Y676 V1078 W1079L673-R1082 PolarHBondContact O-NH1 2.8Å; Y676-R1082 HydrophobicContact CD2-CB 3.99Å; Y676-R1082 HydrophobicContact CD2-CG 4.01Å; Y676-R1082 HydrophobicContact CE2-CG 4.38Å; Y676-R1082 HydrophobicContact CG-CG 4.41Å; V1078-R1082 WeakPolarHBondContact O-CB 3.33Å; V1078-R1082 WeakPolarHBondContact O-CD 3.5Å; V1078-R1082 VanDerWaalsContact O-CG 3.22Å; V1078-R1082 WeakPolarHBondContact O-CG 3.45Å; V1078-R1082 PolarHBondContact O-N 3.11Å; V1078-R1082 VanDerWaalsContact O-N 3.12Å; W1079-R1082 PolarHBondContact O-N 2.97Å
1083W92.3Very high87.4Confident0 Ų029.5 Ų29.50%014%0.14CC..Hα-helixtrans-76-43.2175.117284.6000112.5F683 W684 I1034 L1037 F1044 W1079 F1080 F1081 I1085 D1086 R1087F683-W1083 AromaticContact CD1-NE1 4Å; F683-W1083 AromaticContact CE1-CD1 3.91Å; F683-W1083 AromaticContact CE1-NE1 3.29Å; F683-W1083 VanDerWaalsContact CE1-NE1 3.29Å; F683-W1083 AromaticContact CZ-NE1 3.61Å; W684-W1083 AromaticContact CZ2-NE1 3.98Å; I1034-W1083 HydrophobicContact CG2-CH2 4.11Å; I1034-W1083 HydrophobicContact CG2-CZ2 4.14Å; L1037-W1083 HydrophobicContact CB-CH2 3.7Å; L1037-W1083 HydrophobicContact CB-CZ2 4.3Å; L1037-W1083 HydrophobicContact CB-CZ3 4.37Å; L1037-W1083 HydrophobicContact CD1-CZ2 4.49Å; F1044-W1083 HydrophobicContact CD2-CE3 4.29Å; F1044-W1083 HydrophobicContact CD2-CZ3 4.4Å; F1044-W1083 HydrophobicContact CE2-CD2 4.02Å; F1044-W1083 AromaticContact CE2-CE3 3.74Å; F1044-W1083 HydrophobicContact CE2-CE3 3.74Å; F1044-W1083 HydrophobicContact CE2-CG 4.37Å; F1044-W1083 HydrophobicContact CE2-CZ3 4.3Å; W1079-W1083 HydrophobicContact CZ2-CB 4.49Å; W1079-W1083 WeakPolarHBondContact O-CB 3.42Å; W1079-W1083 PolarHBondContact O-N 3.13Å; F1080-W1083 PolarHBondContact O-N 2.96Å; F1081-W1083 VanDerWaalsContact C-N 3.34Å; F1081-W1083 PolarHBondContact O-N 3.24Å; W1083-I1085 VanDerWaalsContact C-N 3.33Å; W1083-I1085 PolarHBondContact O-N 3.48Å; W1083-D1086 PolarHBondContact O-N 2.92Å; W1083-R1087 HydrophobicContact CH2-CB 4.46Å; W1083-R1087 HydrophobicContact CZ2-CB 4.44Å; W1083-R1087 PolarHBondContact O-N 2.82Å
1084S92.6Very high89.1Confident13 Ų1325.5 Ų25.59%0.09112%0.119CC..Hα-helixtrans-66.4-29.2-17161.40000114.4F1080 F1081 D1086 R1087F1080-S1084 WeakPolarHBondContact O-CB 3.47Å; F1080-S1084 PolarHBondContact O-N 3.4Å; F1080-S1084 PolarHBondContact O-OG 3.43Å; F1081-S1084 PolarHBondContact O-N 3.47Å; F1081-S1084 PolarHBondContact O-OG 2.98Å; F1081-S1084 VanDerWaalsContact O-OG 3.06Å; S1084-D1086 VanDerWaalsContact C-N 3.35Å; S1084-D1086 PolarHBondContact O-N 2.83Å; S1084-R1087 WeakPolarHBondContact O-CB 3.26Å; S1084-R1087 VanDerWaalsContact O-CG 3.31Å; S1084-R1087 WeakPolarHBondContact O-CG 3.22Å; S1084-R1087 PolarHBondContact O-NH1 2.79Å
1085I91.8Very high90.4Very high12 Ų1225 Ų256%0.06212%0.115CC..THydrogen-bonded Turntrans-62.7-39.1179.5-65.2160.4000112.1F1081 W1083 L1299 A1303F1081-I1085 HydrophobicContact CD1-CD1 4.09Å; F1081-I1085 HydrophobicContact CD2-CD1 4.39Å; F1081-I1085 HydrophobicContact CE1-CD1 3.8Å; F1081-I1085 HydrophobicContact CE2-CD1 4.12Å; F1081-I1085 HydrophobicContact CG-CD1 4.39Å; F1081-I1085 HydrophobicContact CZ-CD1 3.82Å; F1081-I1085 WeakPolarHBondContact O-CD1 3.35Å; F1081-I1085 WeakPolarHBondContact O-CG1 3.35Å; F1081-I1085 PolarHBondContact O-N 2.97Å; W1083-I1085 VanDerWaalsContact C-N 3.33Å; W1083-I1085 PolarHBondContact O-N 3.48Å; I1085-L1299 HydrophobicContact CD1-CD2 4.07Å; I1085-L1299 HydrophobicContact CG1-CD2 4.11Å; I1085-L1299 HydrophobicContact CG2-CD2 3.86Å; I1085-A1303 WeakPolarHBondContact O-CA 3.34Å; I1085-A1303 WeakPolarHBondContact O-CB 3.25Å
1086D91.6Very high91.5Very high2 Ų225.9 Ų25.91%0.01112%0.119CC..THydrogen-bonded Turntrans-107.420.2-174.1-81.7-74.4000112.6S567 L570 W1083 S1084 Y1088 S1089S567-D1086 WeakPolarHBondContact CA-OD1 3.42Å; S567-D1086 VanDerWaalsContact CB-OD1 3.27Å; S567-D1086 WeakPolarHBondContact CB-OD1 3.5Å; S567-D1086 PolarHBondContact OG-OD1 3.46Å; L570-D1086 HydrophobicContact CD1-CB 3.55Å; W1083-D1086 PolarHBondContact O-N 2.92Å; S1084-D1086 VanDerWaalsContact C-N 3.35Å; S1084-D1086 PolarHBondContact O-N 2.83Å; D1086-Y1088 PolarHBondContact O-N 3.38Å; D1086-S1089 PolarHBondContact O-N 3.17Å; D1086-S1089 PolarHBondContact O-OG 2.74Å; D1086-S1089 PolarHBondContact OD1-OG 3.27Å; D1086-S1089 VanDerWaalsContact OD1-OG 3.13Å
1087R93.8Very high91.9Very high5 Ų524.6 Ų24.62%0.01911%0.113CC..THydrogen-bonded Turntrans-60.6-17.6-166.269.8-179173.7-84.96116.2W684 I1034 W1083 S1084 A1303 Y1304W684-R1087 WeakPolarHBondContact CH2-O 3.41Å; W684-R1087 WeakPolarHBondContact CZ2-O 3.43Å; I1034-R1087 HydrophobicContact CG2-CB 3.86Å; I1034-R1087 HydrophobicContact CG2-CG 4.11Å; W1083-R1087 HydrophobicContact CH2-CB 4.46Å; W1083-R1087 HydrophobicContact CZ2-CB 4.44Å; W1083-R1087 PolarHBondContact O-N 2.82Å; S1084-R1087 WeakPolarHBondContact O-CB 3.26Å; S1084-R1087 VanDerWaalsContact O-CG 3.31Å; S1084-R1087 WeakPolarHBondContact O-CG 3.22Å; S1084-R1087 PolarHBondContact O-NH1 2.79Å; R1087-A1303 HydrophobicContact CG-CB 4.41Å; R1087-Y1304 VanDerWaalsContact NH2-CE2 3.31Å; R1087-Y1304 VanDerWaalsContact NH2-CZ 3.35Å; R1087-Y1304 PolarHBondContact NH2-OH 3.39Å
1088Y95.4Very high92.3Very high8 Ų821 Ų213%0.03110%0.097CC..THydrogen-bonded Turntrans-112.9-11.2174.4-60.9-55.8000114.9I1031 I1034 E1035 D1086 A1090 V1091 Y1092 Y1304I1031-Y1088 HydrophobicContact CG2-CE1 4.24Å; I1034-Y1088 HydrophobicContact CB-CE1 4.03Å; I1034-Y1088 HydrophobicContact CD1-CD1 4.49Å; I1034-Y1088 HydrophobicContact CD1-CE1 4.38Å; I1034-Y1088 HydrophobicContact CG2-CD1 4.26Å; I1034-Y1088 HydrophobicContact CG2-CE1 3.5Å; I1034-Y1088 VanDerWaalsContact CG2-CE1 3.5Å; E1035-Y1088 WeakPolarHBondContact CG-OH 3.18Å; E1035-Y1088 PolarHBondContact OE1-OH 3.23Å; D1086-Y1088 PolarHBondContact O-N 3.38Å; Y1088-A1090 VanDerWaalsContact C-N 3.35Å; Y1088-A1090 PolarHBondContact O-N 3.4Å; Y1088-V1091 WeakPolarHBondContact O-CA 3.15Å; Y1088-V1091 PolarHBondContact O-N 3.3Å; Y1088-Y1092 VanDerWaalsContact CB-CE2 3.42Å; Y1088-Y1092 HydrophobicContact CG-CE2 4.5Å; Y1088-Y1092 WeakPolarHBondContact O-CD2 3.46Å; Y1088-Y1092 PolarHBondContact O-N 3.31Å; Y1088-Y1304 HydrophobicContact CD2-CD1 4.14Å; Y1088-Y1304 HydrophobicContact CD2-CE1 4.08Å; Y1088-Y1304 AromaticContact CE2-CD1 3.99Å; Y1088-Y1304 HydrophobicContact CE2-CD1 3.99Å; Y1088-Y1304 AromaticContact CE2-CE1 3.46Å; Y1088-Y1304 HydrophobicContact CE2-CE1 3.46Å; Y1088-Y1304 VanDerWaalsContact CE2-CE1 3.46Å; Y1088-Y1304 AromaticContact CE2-CZ 3.98Å
1089S95.7Very high92.7Very high0 Ų023.2 Ų23.20%011%0.106CC..Hα-helixtrans-58.9-42.3-167.6-49.90000113F571 D1086 G1093F571-S1089 WeakPolarHBondContact CA-O 3.26Å; F571-S1089 WeakPolarHBondContact CB-O 3.45Å; D1086-S1089 PolarHBondContact O-N 3.17Å; D1086-S1089 PolarHBondContact O-OG 2.74Å; D1086-S1089 PolarHBondContact OD1-OG 3.27Å; D1086-S1089 VanDerWaalsContact OD1-OG 3.13Å; S1089-G1093 PolarHBondContact O-N 3.12Å
1090A94.8Very high92.6Very high0 Ų024.1 Ų24.10%011%0.113CC..Hα-helixtrans-73.3-34.7174.500000113.5L570 W684 Y1088 G1093 M1094L570-A1090 WeakPolarHBondContact O-CA 3.41Å; W684-A1090 HydrophobicContact CB-CB 3.83Å; W684-A1090 HydrophobicContact CD2-CB 3.55Å; W684-A1090 HydrophobicContact CE3-CB 3.75Å; W684-A1090 HydrophobicContact CG-CB 3.58Å; Y1088-A1090 VanDerWaalsContact C-N 3.35Å; Y1088-A1090 PolarHBondContact O-N 3.4Å; A1090-G1093 WeakPolarHBondContact O-CA 3.35Å; A1090-G1093 PolarHBondContact O-N 3.01Å; A1090-G1093 VanDerWaalsContact O-N 3.14Å; A1090-M1094 PolarHBondContact O-N 2.86Å
1091V95.9Very high92.3Very high1 Ų123.1 Ų23.11%0.00611%0.109CC..Hα-helixtrans-67-41.1178.3-176.40000110.9W684 L1030 I1031 I1034 Y1088 G1093 M1094 I1095W684-V1091 HydrophobicContact CH2-CG2 4.08Å; W684-V1091 HydrophobicContact CZ3-CG2 3.72Å; L1030-V1091 HydrophobicContact CD2-CG1 4.05Å; L1030-V1091 HydrophobicContact CD2-CG2 3.77Å; L1030-V1091 HydrophobicContact CG-CG2 4.39Å; I1031-V1091 HydrophobicContact CG1-CG1 4.23Å; I1034-V1091 HydrophobicContact CD1-CG2 3.6Å; Y1088-V1091 WeakPolarHBondContact O-CA 3.15Å; Y1088-V1091 PolarHBondContact O-N 3.3Å; V1091-G1093 VanDerWaalsContact C-N 3.26Å; V1091-G1093 PolarHBondContact O-N 3.15Å; V1091-M1094 HydrophobicContact CG1-CE 4.39Å; V1091-M1094 HydrophobicContact CG2-CE 4.37Å; V1091-M1094 PolarHBondContact O-N 3.34Å; V1091-M1094 VanDerWaalsContact O-N 3.16Å; V1091-I1095 HydrophobicContact CG1-CD1 3.9Å; V1091-I1095 HydrophobicContact CG1-CG1 4.41Å; V1091-I1095 WeakPolarHBondContact O-CG1 3.38Å; V1091-I1095 PolarHBondContact O-N 3.18Å
1092Y96Very high92Very high42 Ų4218.2 Ų18.217%0.1659%0.088CC..Hα-helixtrans-56-40.8169.5-69.2-31.7000111.8F571 Y1088 I1095 F1096 L1307F571-Y1092 WeakPolarHBondContact CE2-O 3.41Å; Y1088-Y1092 VanDerWaalsContact CB-CE2 3.42Å; Y1088-Y1092 HydrophobicContact CG-CE2 4.5Å; Y1088-Y1092 WeakPolarHBondContact O-CD2 3.46Å; Y1088-Y1092 PolarHBondContact O-N 3.31Å; Y1092-I1095 PolarHBondContact O-N 3.46Å; Y1092-F1096 VanDerWaalsContact O-CB 3.28Å; Y1092-F1096 WeakPolarHBondContact O-CB 3.32Å; Y1092-F1096 PolarHBondContact O-N 3.26Å; Y1092-L1307 HydrophobicContact CD1-CD1 4.26Å; Y1092-L1307 HydrophobicContact CD1-CD2 4.21Å; Y1092-L1307 HydrophobicContact CD2-CB 3.91Å; Y1092-L1307 HydrophobicContact CD2-CD1 4.39Å; Y1092-L1307 HydrophobicContact CE1-CD2 4.24Å; Y1092-L1307 HydrophobicContact CE2-CB 3.96Å; Y1092-L1307 HydrophobicContact CG-CB 4.25Å; Y1092-L1307 HydrophobicContact CG-CD1 3.95Å; Y1092-L1307 HydrophobicContact CG-CG 4.49Å
1093G95.3Very high91.7Very high0 Ų017.3 Ų17.30%09%0.088CC..Hα-helixtrans-60.4-45.1173.400000113.3F571 F575 S1089 A1090 V1091 F1096 A1097F571-G1093 VanDerWaalsContact CD2-N 3.28Å; F571-G1093 WeakPolarHBondContact O-CA 3.38Å; F575-G1093 WeakPolarHBondContact CA-O 3.29Å; S1089-G1093 PolarHBondContact O-N 3.12Å; A1090-G1093 WeakPolarHBondContact O-CA 3.35Å; A1090-G1093 PolarHBondContact O-N 3.01Å; A1090-G1093 VanDerWaalsContact O-N 3.14Å; V1091-G1093 VanDerWaalsContact C-N 3.26Å; V1091-G1093 PolarHBondContact O-N 3.15Å; G1093-F1096 PolarHBondContact O-N 3.07Å; G1093-A1097 WeakPolarHBondContact O-CB 3.31Å; G1093-A1097 PolarHBondContact O-N 2.82Å
1094M94.2Very high91Very high0 Ų020.8 Ų20.80%010%0.101CC..Hα-helixtrans-65-43.2176.1-62.1-162.8-67.600112.8F578 T688 F1027 L1030 A1090 V1091 F1096 A1097 F1098F578-M1094 HydrophobicContact CB-CB 4.28Å; F578-M1094 HydrophobicContact CB-CG 4.15Å; F578-M1094 HydrophobicContact CD2-CB 3.91Å; F578-M1094 HydrophobicContact CD2-CG 4.17Å; F578-M1094 HydrophobicContact CD2-SD 4.24Å; F578-M1094 HydrophobicContact CG-CB 4.25Å; T688-M1094 HydrophobicContact CG2-CG 4.33Å; T688-M1094 HydrophobicContact CG2-SD 3.76Å; F1027-M1094 HydrophobicContact CD1-CE 4.41Å; F1027-M1094 HydrophobicContact CE1-CB 3.77Å; F1027-M1094 HydrophobicContact CE1-CE 4.13Å; F1027-M1094 HydrophobicContact CE1-SD 4.46Å; F1027-M1094 HydrophobicContact CZ-CB 4.19Å; L1030-M1094 HydrophobicContact CD2-CE 3.36Å; A1090-M1094 PolarHBondContact O-N 2.86Å; V1091-M1094 HydrophobicContact CG1-CE 4.39Å; V1091-M1094 HydrophobicContact CG2-CE 4.37Å; V1091-M1094 PolarHBondContact O-N 3.34Å; V1091-M1094 VanDerWaalsContact O-N 3.16Å; M1094-F1096 VanDerWaalsContact C-N 3.35Å; M1094-A1097 PolarHBondContact O-N 2.97Å; M1094-F1098 WeakPolarHBondContact O-CB 3.49Å; M1094-F1098 PolarHBondContact O-N 3.16Å
1095I95Very high90Very high59 Ų5925.4 Ų25.430%0.30312%0.121SC..Hα-helixtrans-65-41.3178.6-69.1169.9000110.1F1027 I1031 V1091 Y1092 F1098 L1099F1027-I1095 HydrophobicContact CB-CD1 4.42Å; F1027-I1095 HydrophobicContact CB-CG1 4.35Å; F1027-I1095 HydrophobicContact CD1-CG1 4.06Å; F1027-I1095 HydrophobicContact CD2-CG1 3.96Å; F1027-I1095 HydrophobicContact CE1-CG1 4.3Å; F1027-I1095 HydrophobicContact CE2-CG1 4.19Å; F1027-I1095 HydrophobicContact CG-CD1 4.47Å; F1027-I1095 HydrophobicContact CG-CG1 3.89Å; F1027-I1095 HydrophobicContact CZ-CG1 4.35Å; I1031-I1095 HydrophobicContact CD1-CD1 4.31Å; V1091-I1095 HydrophobicContact CG1-CD1 3.9Å; V1091-I1095 HydrophobicContact CG1-CG1 4.41Å; V1091-I1095 WeakPolarHBondContact O-CG1 3.38Å; V1091-I1095 PolarHBondContact O-N 3.18Å; Y1092-I1095 PolarHBondContact O-N 3.46Å; I1095-F1098 PolarHBondContact O-N 2.84Å; I1095-L1099 WeakPolarHBondContact O-CB 3.33Å; I1095-L1099 PolarHBondContact O-N 3.12Å
1096F93.7Very high89.1Confident29 Ų2930.4 Ų30.413%0.12715%0.147CC..Hα-helixtrans-66.2-41176.1-174.4-101.6000112.4F571 F575 Y1092 G1093 M1094 L1099 C1100 V1311 I1314F571-F1096 HydrophobicContact CE1-CB 4.37Å; F571-F1096 AromaticContact CE1-CD1 3.96Å; F571-F1096 HydrophobicContact CE1-CD1 3.96Å; F571-F1096 HydrophobicContact CE1-CG 4.31Å; F571-F1096 HydrophobicContact CE2-CB 4.02Å; F571-F1096 HydrophobicContact CE2-CG 4.47Å; F571-F1096 HydrophobicContact CZ-CB 3.5Å; F571-F1096 AromaticContact CZ-CD1 3.7Å; F571-F1096 HydrophobicContact CZ-CD1 3.7Å; F571-F1096 HydrophobicContact CZ-CD2 4.33Å; F571-F1096 AromaticContact CZ-CG 3.58Å; F571-F1096 HydrophobicContact CZ-CG 3.58Å; F575-F1096 AromaticContact CD2-CD1 3.85Å; F575-F1096 HydrophobicContact CD2-CD1 3.85Å; F575-F1096 HydrophobicContact CD2-CE1 4.46Å; F575-F1096 AromaticContact CE2-CD1 3.99Å; F575-F1096 HydrophobicContact CE2-CD1 3.99Å; F575-F1096 HydrophobicContact CE2-CE1 4.21Å; Y1092-F1096 VanDerWaalsContact O-CB 3.28Å; Y1092-F1096 WeakPolarHBondContact O-CB 3.32Å; Y1092-F1096 PolarHBondContact O-N 3.26Å; G1093-F1096 PolarHBondContact O-N 3.07Å; M1094-F1096 VanDerWaalsContact C-N 3.35Å; F1096-L1099 PolarHBondContact O-N 2.86Å; F1096-C1100 WeakPolarHBondContact CE1-SG 3.36Å; F1096-C1100 VanDerWaalsContact CZ-SG 3.56Å; F1096-C1100 PolarHBondContact O-N 3.26Å; F1096-C1100 PolarHBondContact O-SG 2.8Å; F1096-V1311 HydrophobicContact CD2-CG2 4.31Å; F1096-V1311 HydrophobicContact CE2-CG2 4.48Å; F1096-I1314 HydrophobicContact CD1-CD1 4.45Å; F1096-I1314 HydrophobicContact CE1-CD1 4Å; F1096-I1314 HydrophobicContact CE1-CG2 4.02Å; F1096-I1314 HydrophobicContact CZ-CD1 4.28Å; F1096-I1314 HydrophobicContact CZ-CG2 3.71Å
1097A90.6Very high87.7Confident0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-60.6-45.9172.900000112.1F575 F578 G1093 M1094 L1099 C1100 E1101F575-A1097 HydrophobicContact CD2-CB 3.62Å; F575-A1097 HydrophobicContact CE2-CB 4.17Å; F575-A1097 HydrophobicContact CG-CB 4.33Å; F578-A1097 HydrophobicContact CB-CB 4Å; F578-A1097 HydrophobicContact CD1-CB 3.57Å; F578-A1097 HydrophobicContact CE1-CB 4.45Å; F578-A1097 HydrophobicContact CG-CB 4.08Å; G1093-A1097 WeakPolarHBondContact O-CB 3.31Å; G1093-A1097 PolarHBondContact O-N 2.82Å; M1094-A1097 PolarHBondContact O-N 2.97Å; A1097-L1099 VanDerWaalsContact C-N 3.34Å; A1097-L1099 PolarHBondContact O-N 3.49Å; A1097-C1100 PolarHBondContact O-N 3.46Å; A1097-E1101 PolarHBondContact O-N 3.13Å
1098F91.4Very high86.4Confident16 Ų1636.1 Ų36.17%0.0719%0.192CC..Hα-helixtrans-59.5-42.6174.1176.6-107000112F578 W582 Y1020 M1023 I1024 F1027 M1094 I1095 S1102F578-F1098 HydrophobicContact CE1-CB 3.78Å; F578-F1098 HydrophobicContact CE1-CD2 4.41Å; F578-F1098 HydrophobicContact CZ-CB 3.83Å; F578-F1098 HydrophobicContact CZ-CD2 4.09Å; F578-F1098 HydrophobicContact CZ-CG 4.39Å; W582-F1098 HydrophobicContact CH2-CD2 4.02Å; W582-F1098 AromaticContact CH2-CE2 3.79Å; W582-F1098 HydrophobicContact CH2-CE2 3.79Å; W582-F1098 AromaticContact CZ2-CD2 3.97Å; W582-F1098 HydrophobicContact CZ2-CD2 3.97Å; W582-F1098 AromaticContact CZ2-CE2 3.88Å; W582-F1098 HydrophobicContact CZ2-CE2 3.88Å; W582-F1098 HydrophobicContact CZ3-CD2 4.47Å; Y1020-F1098 HydrophobicContact CD1-CE2 4.28Å; Y1020-F1098 AromaticContact CD1-CZ 3.78Å; Y1020-F1098 HydrophobicContact CD1-CZ 3.78Å; Y1020-F1098 HydrophobicContact CG-CE2 4.27Å; Y1020-F1098 AromaticContact CG-CZ 3.93Å; Y1020-F1098 HydrophobicContact CG-CZ 3.93Å; M1023-F1098 HydrophobicContact CB-CD2 4.26Å; M1023-F1098 HydrophobicContact CB-CE2 3.75Å; M1023-F1098 HydrophobicContact CB-CZ 4.02Å; M1023-F1098 HydrophobicContact CG-CE2 4.07Å; I1024-F1098 HydrophobicContact CG1-CE1 4.17Å; F1027-F1098 HydrophobicContact CE2-CB 3.83Å; F1027-F1098 AromaticContact CE2-CD1 3.9Å; F1027-F1098 HydrophobicContact CE2-CD1 3.9Å; F1027-F1098 HydrophobicContact CE2-CD2 4.47Å; F1027-F1098 AromaticContact CE2-CG 3.82Å; F1027-F1098 HydrophobicContact CE2-CG 3.82Å; F1027-F1098 HydrophobicContact CZ-CB 4.03Å; F1027-F1098 HydrophobicContact CZ-CG 4.42Å; M1094-F1098 WeakPolarHBondContact O-CB 3.49Å; M1094-F1098 PolarHBondContact O-N 3.16Å; I1095-F1098 PolarHBondContact O-N 2.84Å; F1098-S1102 VanDerWaalsContact O-CB 3.25Å; F1098-S1102 WeakPolarHBondContact O-CB 3.18Å; F1098-S1102 PolarHBondContact O-N 3.46Å; F1098-S1102 PolarHBondContact O-OG 3.28Å
1099L90.3Very high84.9Confident92 Ų9238 Ų3848%0.48220%0.202SC..Hα-helixtrans-63.4-45.7176.4-16684.9000112I1095 F1096 A1097 S1102 L1103I1095-L1099 WeakPolarHBondContact O-CB 3.33Å; I1095-L1099 PolarHBondContact O-N 3.12Å; F1096-L1099 PolarHBondContact O-N 2.86Å; A1097-L1099 VanDerWaalsContact C-N 3.34Å; A1097-L1099 PolarHBondContact O-N 3.49Å; L1099-S1102 WeakPolarHBondContact O-CB 3.3Å; L1099-S1102 PolarHBondContact O-N 3.19Å; L1099-L1103 HydrophobicContact CD2-CD1 4.36Å; L1099-L1103 HydrophobicContact CG-CD1 4.15Å; L1099-L1103 WeakPolarHBondContact O-CG 3.35Å; L1099-L1103 PolarHBondContact O-N 3.07Å
1100C86.2Confident82.9Confident19 Ų1944.8 Ų44.813%0.12823%0.233CC..Hα-helixtrans-62.1-48179.1-68.90000111.7F1096 A1097 S1102 L1103 R1104F1096-C1100 WeakPolarHBondContact CE1-SG 3.36Å; F1096-C1100 VanDerWaalsContact CZ-SG 3.56Å; F1096-C1100 PolarHBondContact O-N 3.26Å; F1096-C1100 PolarHBondContact O-SG 2.8Å; A1097-C1100 PolarHBondContact O-N 3.46Å; C1100-S1102 VanDerWaalsContact C-N 3.3Å; C1100-S1102 PolarHBondContact O-N 2.75Å; C1100-L1103 PolarHBondContact O-N 3.19Å; C1100-R1104 WeakPolarHBondContact O-CB 3.38Å; C1100-R1104 PolarHBondContact O-N 2.72Å
1101E83.1Confident81Confident7 Ų746.6 Ų46.63%0.03324%0.243CC..Hα-helixtrans-67.3-30.4177.2-70.1-69.6167.100112.4R583 A1097 R1104 Q1105R583-E1101 IonicContact CZ-OE1 3.17Å; R583-E1101 IonicContact NE-OE1 2.75Å; R583-E1101 PolarHBondContact NE-OE1 3.08Å; R583-E1101 IonicContact NH2-OE1 2.74Å; R583-E1101 PolarHBondContact NH2-OE1 3.48Å; A1097-E1101 PolarHBondContact O-N 3.13Å; E1101-R1104 IonicContact OE1-CZ 3.81Å; E1101-R1104 IonicContact OE1-NE 2.82Å; E1101-R1104 IonicContact OE1-NH2 3.55Å; E1101-R1104 PolarHBondContact OE1-NH2 3.49Å; E1101-R1104 IonicContact OE2-CZ 3.89Å; E1101-R1104 VanDerWaalsContact OE2-CZ 3.3Å; E1101-R1104 IonicContact OE2-NE 3.09Å; E1101-R1104 PolarHBondContact OE2-NE 3.37Å; E1101-R1104 IonicContact OE2-NH2 3.46Å; E1101-R1104 PolarHBondContact OE2-NH2 2.77Å; E1101-Q1105 WeakPolarHBondContact O-CG 3.47Å; E1101-Q1105 PolarHBondContact O-N 3.3Å
1102S83Confident78.5Confident10 Ų1049.2 Ų49.27%0.0726%0.257CS..Hα-helixtrans-63.7-52.4171.4-63.40000111.6Y1020 F1098 L1099 C1100 R1104 Q1105 I1106Y1020-S1102 WeakPolarHBondContact CE1-OG 3.24Å; F1098-S1102 VanDerWaalsContact O-CB 3.25Å; F1098-S1102 WeakPolarHBondContact O-CB 3.18Å; F1098-S1102 PolarHBondContact O-N 3.46Å; F1098-S1102 PolarHBondContact O-OG 3.28Å; L1099-S1102 WeakPolarHBondContact O-CB 3.3Å; L1099-S1102 PolarHBondContact O-N 3.19Å; C1100-S1102 VanDerWaalsContact C-N 3.3Å; C1100-S1102 PolarHBondContact O-N 2.75Å; S1102-R1104 VanDerWaalsContact C-N 3.25Å; S1102-R1104 PolarHBondContact O-N 2.95Å; S1102-Q1105 PolarHBondContact O-N 3.38Å; S1102-I1106 WeakPolarHBondContact O-CD1 3.2Å; S1102-I1106 VanDerWaalsContact O-CG1 3.29Å; S1102-I1106 WeakPolarHBondContact O-CG1 3.46Å; S1102-I1106 PolarHBondContact O-N 3.01Å; S1102-I1106 VanDerWaalsContact O-N 3.08Å
1103L82.8Confident75.8Confident49 Ų4953.5 Ų53.526%0.25728%0.281SS..Hα-helixtrans-63.9-32179.8-69.6168.5000112.3L1099 C1100 I1106 G1107 V1108 L1109L1099-L1103 HydrophobicContact CD2-CD1 4.36Å; L1099-L1103 HydrophobicContact CG-CD1 4.15Å; L1099-L1103 WeakPolarHBondContact O-CG 3.35Å; L1099-L1103 PolarHBondContact O-N 3.07Å; C1100-L1103 PolarHBondContact O-N 3.19Å; L1103-I1106 PolarHBondContact O-N 2.7Å; L1103-G1107 PolarHBondContact O-N 3.32Å; L1103-V1108 HydrophobicContact CB-CB 4.43Å; L1103-V1108 HydrophobicContact CD2-CB 4.19Å; L1103-V1108 HydrophobicContact CD2-CG1 4.32Å; L1103-V1108 HydrophobicContact CD2-CG2 4.39Å; L1103-V1108 PolarHBondContact O-N 2.73Å; L1103-L1109 HydrophobicContact CB-CD1 3.79Å; L1103-L1109 HydrophobicContact CD1-CD1 4.16Å; L1103-L1109 PolarHBondContact O-N 3.37Å
1104R77.7Confident72.8Confident73 Ų7357.3 Ų57.328%0.27530%0.301SS..Hα-helixtrans-68.1-41.7173.3-161.8170.277106.40.1112.3C1100 E1101 S1102 I1106 G1107 L1109 D1111C1100-R1104 WeakPolarHBondContact O-CB 3.38Å; C1100-R1104 PolarHBondContact O-N 2.72Å; E1101-R1104 IonicContact OE1-CZ 3.81Å; E1101-R1104 IonicContact OE1-NE 2.82Å; E1101-R1104 IonicContact OE1-NH2 3.55Å; E1101-R1104 PolarHBondContact OE1-NH2 3.49Å; E1101-R1104 IonicContact OE2-CZ 3.89Å; E1101-R1104 VanDerWaalsContact OE2-CZ 3.3Å; E1101-R1104 IonicContact OE2-NE 3.09Å; E1101-R1104 PolarHBondContact OE2-NE 3.37Å; E1101-R1104 IonicContact OE2-NH2 3.46Å; E1101-R1104 PolarHBondContact OE2-NH2 2.77Å; S1102-R1104 VanDerWaalsContact C-N 3.25Å; S1102-R1104 PolarHBondContact O-N 2.95Å; R1104-I1106 VanDerWaalsContact C-N 3.28Å; R1104-I1106 PolarHBondContact O-N 3.37Å; R1104-G1107 PolarHBondContact O-N 2.86Å; R1104-G1107 VanDerWaalsContact O-N 3.16Å; R1104-L1109 HydrophobicContact CB-CB 4.44Å; R1104-D1111 WeakPolarHBondContact CD-OD2 3.39Å; R1104-D1111 IonicContact NH1-OD2 2.76Å
1105Q72.6Confident69.7Low109 Ų10963.1 Ų63.151%0.50933%0.333SS..Hα-helixtrans-68.5-23.4174.1-74.6-177.315.500113.9Y1020 E1101 S1102Y1020-Q1105 PolarHBondContact OH-OE1 3.4Å; E1101-Q1105 WeakPolarHBondContact O-CG 3.47Å; E1101-Q1105 PolarHBondContact O-N 3.3Å; S1102-Q1105 PolarHBondContact O-N 3.38Å
1106I72.6Confident66.5Low118 Ų11866.8 Ų66.861%0.60535%0.353SS*.THydrogen-bonded Turntrans-85-11.8174.3-58.6160.6000111.3S1102 L1103 R1104 V1108S1102-I1106 WeakPolarHBondContact O-CD1 3.2Å; S1102-I1106 VanDerWaalsContact O-CG1 3.29Å; S1102-I1106 WeakPolarHBondContact O-CG1 3.46Å; S1102-I1106 PolarHBondContact O-N 3.01Å; S1102-I1106 VanDerWaalsContact O-N 3.08Å; L1103-I1106 PolarHBondContact O-N 2.7Å; R1104-I1106 VanDerWaalsContact C-N 3.28Å; R1104-I1106 PolarHBondContact O-N 3.37Å; I1106-V1108 HydrophobicContact CB-CG2 4.17Å; I1106-V1108 HydrophobicContact CG2-CG2 3.8Å
1107G62Low63.2Low45 Ų4570.8 Ų70.846%0.46438%0.384SS..THydrogen-bonded Turntrans78.216.5-176.700000114.4L1103 R1104L1103-G1107 PolarHBondContact O-N 3.32Å; R1104-G1107 PolarHBondContact O-N 2.86Å; R1104-G1107 VanDerWaalsContact O-N 3.16Å
1108V66.2Low60.4Low82 Ų8272.8 Ų72.850%0.49741%0.405SS..  trans-79.9-36.5176.3-176.80000110.8L1103 I1106 Q1110L1103-V1108 HydrophobicContact CB-CB 4.43Å; L1103-V1108 HydrophobicContact CD2-CB 4.19Å; L1103-V1108 HydrophobicContact CD2-CG1 4.32Å; L1103-V1108 HydrophobicContact CD2-CG2 4.39Å; L1103-V1108 PolarHBondContact O-N 2.73Å; I1106-V1108 HydrophobicContact CB-CG2 4.17Å; I1106-V1108 HydrophobicContact CG2-CG2 3.8Å; V1108-Q1110 PolarHBondContact O-N 3.13Å
1109L64Low57.4Low47 Ų4778.1 Ų78.125%0.24643%0.434CS..SBendtrans-84.597.8164.3-99.370.3000108.7V527 L1103 R1104 D1111V527-L1109 HydrophobicContact CB-CD2 4.13Å; V527-L1109 HydrophobicContact CG2-CD2 3.78Å; V527-L1109 HydrophobicContact CG2-CG 4.48Å; L1103-L1109 HydrophobicContact CB-CD1 3.79Å; L1103-L1109 HydrophobicContact CD1-CD1 4.16Å; L1103-L1109 PolarHBondContact O-N 3.37Å; R1104-L1109 HydrophobicContact CB-CB 4.44Å; L1109-D1111 PolarHBondContact O-N 2.94Å; L1109-D1111 VanDerWaalsContact O-N 3.13Å
1110Q53.9Low54.4Low142 Ų14280.2 Ų80.266%0.66445%0.446SS*.  trans-71.9100.5164.7-161.775.815.700108.2V1108 I1112V1108-Q1110 PolarHBondContact O-N 3.13Å; Q1110-I1112 VanDerWaalsContact C-N 3.27Å; Q1110-I1112 HydrophobicContact CG-CG1 4.26Å; Q1110-I1112 PolarHBondContact O-N 3.34Å
1111D54.6Low51.5Low38 Ų3890.6 Ų90.620%0.20348%0.484CS..  trans-66.293162-81.1-26.1000107R1104 L1109 I1113R1104-D1111 WeakPolarHBondContact CD-OD2 3.39Å; R1104-D1111 IonicContact NH1-OD2 2.76Å; L1109-D1111 PolarHBondContact O-N 2.94Å; L1109-D1111 VanDerWaalsContact O-N 3.13Å; D1111-I1113 PolarHBondContact O-N 3.2Å; D1111-I1113 VanDerWaalsContact O-N 3.1Å
1112I44.3Very low48.8Very low57 Ų5794.5 Ų94.529%0.29252%0.517SS..  trans-64.7114.1-175.9-61.9173.5000109S525 Q1110 D1114S525-I1112 WeakPolarHBondContact CB-O 3.43Å; S525-I1112 PolarHBondContact OG-O 2.97Å; Q1110-I1112 VanDerWaalsContact C-N 3.27Å; Q1110-I1112 HydrophobicContact CG-CG1 4.26Å; Q1110-I1112 PolarHBondContact O-N 3.34Å; I1112-D1114 HydrophobicContact CG2-CB 4.18Å; I1112-D1114 VanDerWaalsContact CG2-CG 3.48Å; I1112-D1114 WeakPolarHBondContact CG2-OD1 3.37Å
1113I38.1Very low46.1Very low131 Ų13199.1 Ų99.167%0.67256%0.557SS**  trans-82.5102.8154.8-59.7172.7000104.7D1111 D1115D1111-I1113 PolarHBondContact O-N 3.2Å; D1111-I1113 VanDerWaalsContact O-N 3.1Å; I1113-D1115 HydrophobicContact CG2-CB 4.03Å; I1113-D1115 WeakPolarHBondContact CG2-OD2 3.16Å; I1113-D1115 PolarHBondContact O-N 3.43Å
1114D32.2Very low43.4Very low81 Ų81100.6 Ų100.643%0.43358%0.575SS.*  trans-81.860.1174.4-94.7-22.2000109.3I1112 R1325I1112-D1114 HydrophobicContact CG2-CB 4.18Å; I1112-D1114 VanDerWaalsContact CG2-CG 3.48Å; I1112-D1114 WeakPolarHBondContact CG2-OD1 3.37Å; D1114-R1325 IonicContact OD2-CZ 2.91Å; D1114-R1325 IonicContact OD2-NH1 3.23Å; D1114-R1325 PolarHBondContact OD2-NH1 3.43Å; D1114-R1325 IonicContact OD2-NH2 3.2Å; D1114-R1325 PolarHBondContact OD2-NH2 3.21Å
1115D29.2Very low40.9Very low122 Ų122104 Ų10465%0.65260%0.599SS**  trans-115.1147.4161.4-67.5-56.6000107.2I1113I1113-D1115 HydrophobicContact CG2-CB 4.03Å; I1113-D1115 WeakPolarHBondContact CG2-OD2 3.16Å; I1113-D1115 PolarHBondContact O-N 3.43Å
1116N27.5Very low38.6Very low136 Ų136109.8 Ų109.873%0.72762%0.618SS**SBendtrans70.740.8-174.5-47-17.8000116.1
1117S25.7Very low36.5Very low112 Ų112112.6 Ų112.678%0.78363%0.633SS**SBendtrans-138.133.3146.3590000112.2
1118G31.1Very low34.7Very low43 Ų43119.3 Ų119.344%0.44365%0.653SS.*  trans-147.234.8-175.700000112.6N1120G1118-N1120 CarbonylContact O-C 3.36Å; G1118-N1120 PolarHBondContact O-N 3.36Å
1119D27.8Very low32.7Very low128 Ų128119 Ų11968%0.68467%0.665SS**SBendtrans-76.147.9-176.9-58.9-31.5000112.4
1120N27.7Very low30.9Very low136 Ų136123.8 Ų123.873%0.72769%0.69SS**SBendtrans-174.2136.7162.8-92.2-63.5000105.5G1118G1118-N1120 CarbonylContact O-C 3.36Å; G1118-N1120 PolarHBondContact O-N 3.36Å
1121Y25.1Very low29.5Very low236 Ų236126.5 Ų126.593%0.92570%0.699SS**SBendtrans77.927.5-174.4-49.5-73.9000118.4
1122A26.2Very low28.1Very low89 Ų89132.2 Ų132.274%0.73673%0.725SS**SBendtrans-135.14.8159.200000114.5
1123A27.5Very low27.1Very low108 Ų108133.3 Ų133.389%0.89374%0.738SS**SBendtrans-102.435.4176.400000112.3
1124A25.9Very low26.3Very low79 Ų79134 Ų13465%0.65374%0.743SS**SBendtrans-136.6140.8174.300000108.3
1125D25.2Very low25.8Very low145 Ų145137.8 Ų137.878%0.77576%0.758SS**SBendtrans64.7145.6-163.9-59-26.9000115
1126Y24.3Very low25.6Very low231 Ų231137.7 Ų137.791%0.90676%0.756SS**SBendtrans69.127.4-175.7-74-81.8000119.7
1127L27.7Very low25.3Very low176 Ų176137.5 Ų137.592%0.92175%0.751SS**SBendtrans-145.444.6134-126.6176.1000114.7
1128Q24.6Very low25.2Very low187 Ų187141.3 Ų141.387%0.87475%0.749SS**SBendtrans-129103.5163.5-172.6174.220.900108.2
1129G24.8Very low24.9Very low74 Ų74143.9 Ų143.976%0.76376%0.76SS**  trans168.30.7-179.800000122.7
1130I25.8Very low24.8Very low149 Ų149148.4 Ų148.476%0.76477%0.768SS**  trans-128.976.6170.3-50.8-176.8000112
1131K24.9Very low24.6Very low198 Ų198148.2 Ų148.286%0.86177%0.766SS**  trans-172.1105.2136.3-102.2178.8-178.8-177.50105.4
1132Q24.4Very low24.6Very low159 Ų159142.1 Ų142.174%0.74376%0.756SS**  cis64.3112.834.6-151.3179.1-4.200110.5
1133S22.3Very low24.4Very low80 Ų80145.2 Ų145.256%0.55976%0.759SS**  cis-161.6-178.9-3.742.40000111.7
1134D22.6Very low24.3Very low144 Ų144145 Ų14577%0.7775%0.751SS**  trans76152154.5-52.4-41.5000118.1
1135E22.4Very low24.2Very low162 Ų162145.5 Ų145.576%0.75775%0.749SS**  cis-150.3165.89.6-142.3-177.7-176.600114.5
1136I23.1Very low24.2Very low120 Ų120146.4 Ų146.462%0.61575%0.746SS**  trans16.1138.6145.4-74174.2000119
1137H22.6Very low24.2Very low132 Ų132141.2 Ų141.261%0.61173%0.734SS**  cis177.1-173.7-5.9-101.8-8.3000107.3
1138Y22.8Very low24.1Very low192 Ų192142.1 Ų142.175%0.75373%0.727SS**  cis-162.4-172.7-3.6-127.7-29.6000111.5
1139S24.9Very low24.1Very low97 Ų97140.4 Ų140.468%0.67872%0.724SS**  trans92.2151.5144940000118.4
1140R25.9Very low24.2Very low223 Ų223144.2 Ų144.284%0.84273%0.726SS**  cis-144.41632.8-89.3-154.2178.9179.11.3108.7
1141L23.6Very low24.1Very low131 Ų131141 Ų14169%0.68671%0.713SS**  cis-163.9179.6-26.4-141.879.8000105.4
1142P24.3Very low24.2Very low109 Ų109135.6 Ų135.671%0.70870%0.697SS**  cis-137148.447.937.6-17.8000117.9
1143L23.4Very low24.3Very low154 Ų154135 Ų13581%0.80670%0.699SS**  trans71.5134.3144.5-67.4164.5000122.1
1144S24.6Very low24.5Very low103 Ų103137.5 Ų137.572%0.7271%0.71SS**  trans62.2122.3173.5-1350000118.1
1145S23.7Very low24.7Very low89 Ų89135.1 Ų135.162%0.62271%0.711SS**  cis73.2137.628100.70000113.6
1146K26.5Very low25Very low164 Ų164131.3 Ų131.371%0.71371%0.707SS**  cis-132.8147.512.2-78.8171.6-175.1172.80109.6
1147N24.1Very low25.2Very low122 Ų122132.4 Ų132.465%0.65271%0.714SS**  56.7142.283.9-48.8-1.1000113.5
1148Y25.8Very low25.5Very low195 Ų195132 Ų13277%0.76572%0.716SS**  cis-146.2163.637-84.7-90.5000116.4
1149N24.4Very low25.9Very low152 Ų152129.9 Ų129.981%0.81372%0.718SS**  trans-110.2167.4168.7-71.3-20.8000111.2
1150L26.4Very low26.1Very low153 Ų153128.2 Ų128.280%0.80172%0.716SS**  trans-178.9148.2157.1-116.649.8000108.1
1151T24.7Very low26.4Very low82 Ų82124.8 Ų124.850%0.50372%0.715SS.*  cis-168.5158.3-14.511.70000113.1K822K822-T1151 WeakPolarHBondContact CD-O 3.25Å; K822-T1151 PolarHBondContact NZ-O 3.43Å
1152T25.9Very low26.7Very low84 Ų84124.6 Ų124.652%0.51571%0.714SS.*  trans70104.5144.552.30000124.4K822K822-T1152 PolarHBondContact NZ-O 2.92Å; K822-T1152 PolarHBondContact NZ-OG1 3.28Å
1153N26.9Very low26.9Very low146 Ų146127.7 Ų127.778%0.78172%0.719SS**  51.8157.695.5-50.18.6000123.6
1154V25.9Very low27.1Very low133 Ų133123 Ų12381%0.80671%0.708SS**  trans77.9123.6161.1-164.70000115.9
1155A26.9Very low27.3Very low95 Ų95123.6 Ų123.679%0.78571%0.712SS**  cis103.51178.800000117.5
1156A28.5Very low27.5Very low82 Ų82126.1 Ų126.168%0.67872%0.718SS**  trans-168.3129.6166.200000108.5
1157N26.8Very low27.6Very low143 Ų143124.2 Ų124.277%0.76572%0.715SS**  77.1145.299.1-66.818.6000114.8
1158N29.5Very low27.7Very low122 Ų122124.7 Ų124.765%0.65272%0.717SS**  cis-162.6165.65-123.514000114.4
1159N31.2Very low27.7Very low149 Ų149121.6 Ų121.680%0.79771%0.712SS**  trans71.9140158.2-55.9-2.8000119
1160G30.1Very low27.9Very low61 Ų61120.6 Ų120.663%0.62971%0.707SS**  cis-176.7166.3-700000115
1161D30.6Very low27.8Very low151 Ų151121.9 Ų121.981%0.80771%0.706SS**  trans64138.1154.1-54.5-14.8000119.6
1162N29.9Very low28Very low127 Ų127124.6 Ų124.668%0.67972%0.716SS**  cis-167.2177-10.1-115.1-51.5000107.6
1163H30.2Very low28Very low175 Ų175126.8 Ų126.881%0.8173%0.725SS**  cis-158.4168.87.7-151.249.5000110.6
1164G27.3Very low27.9Very low55 Ų55126.1 Ų126.157%0.56772%0.721SS**  trans82.6116.3165.800000116.1
1165S28.6Very low28Very low115 Ų115126.5 Ų126.580%0.80472%0.719SS**  81.1134.753.486.80000113.4
1166N27Very low28Very low142 Ų142129.2 Ų129.276%0.75972%0.72SS**  cis-165.6176.3-5.4-141.2-15.4000112.7
1167I28.6Very low27.9Very low124 Ų124132.2 Ų132.264%0.63672%0.722SS**  trans76.7112.7142.3-78.7164.9000121.8
1168N26.1Very low27.8Very low133 Ų133131 Ų13171%0.71172%0.716SS**  70.2159.2129.4-69.83.8000123.8
1169I26.1Very low27.7Very low129 Ų129131.1 Ų131.166%0.66272%0.721SS**  cis-167.8166.8-32.5-123.2171.3000110.3
1170N29.3Very low27.5Very low132 Ų132129.2 Ų129.271%0.70671%0.71SS**  trans71.7146.2170.3-72.9-26.8000119.3
1171K24.4Very low27.1Very low179 Ų179134.9 Ų134.978%0.77871%0.714SS**  cis119.2152.5-2.8-171.3-174.2-179.1-174.40114.1
1172I28.8Very low26.9Very low140 Ų140133.9 Ų133.972%0.71870%0.704SS**  trans103.889.1166.5-51.3177.9000117
1173N25.1Very low26.7Very low130 Ų130135.3 Ų135.370%0.69570%0.704SS**  42.2124.6118.9-59.326.3000124
1174N25.2Very low26.4Very low132 Ų132138 Ų13871%0.70671%0.708SS**  83158.3116.5-72.635000125.6
1175D28.4Very low26.3Very low141 Ų141141.9 Ų141.975%0.75472%0.715SS**  trans86.196.6152.8-53.8-29.9000121.9
1176D26.1Very low26.4Very low151 Ų151144.7 Ų144.781%0.80772%0.715SS**  46.2132.9125.7-76.54.2000126
1177M26.4Very low26.4Very low146 Ų146146.2 Ų146.272%0.71972%0.715SS**  trans74114.5136.3-64.7-68.7-74.300123.4
1178D25.4Very low26.4Very low118 Ų118145.6 Ų145.663%0.63172%0.717SS**  trans64.7115.6130.7-78.30.5000125.1
1179T26.4Very low26.4Very low123 Ų123145.2 Ų145.276%0.75572%0.715SS**  trans74159.713570.10000118.4
1180D26.4Very low26.3Very low109 Ų109145.8 Ų145.858%0.58371%0.714SS**  cis-161.7-176.45.1-143.6-29.9000113.8
1181Y22.6Very low26.1Very low180 Ų180147.3 Ų147.371%0.70672%0.715SS**  trans51136.5151.8-71.4-68.1000120.6
1182H26.2Very low26Very low131 Ų131143.8 Ų143.861%0.60671%0.709SS**  cis-172.4175-16.2-143.5-155.5000114.7
1183K25.2Very low25.8Very low156 Ų156145.5 Ų145.568%0.67871%0.711SS**  trans-37151.8165.4-52164.4-171.5167.70117
1184R25.7Very low25.8Very low232 Ų232146.2 Ų146.288%0.87571%0.71SS**  172.9160123.3-97.9-169-85.1-151.9-3.9111.6
1185L25Very low25.8Very low137 Ų137144.2 Ų144.272%0.71771%0.705SS**  cis-171.4139.4-28.8-138.4-179.4000109
1186Q30Very low25.6Very low173 Ų173144.8 Ų144.881%0.80870%0.703SS**  trans-180129.5139.6-99167.635.400108.8
1187K27Very low25.5Very low174 Ų174143.1 Ų143.176%0.75769%0.694SS**  62.3135.188.2-69.2-162.6176.2-172.70113.1
1188T27.9Very low25.4Very low111 Ų111141.4 Ų141.468%0.68169%0.688SS**  cis-169.5168.62.314.10000108.3
1189D26.2Very low25.3Very low125 Ų125144.6 Ų144.667%0.66869%0.693SS**  cis-156.9172.82.9-136-24000115.9
1190H24.9Very low25.1Very low141 Ų141144.8 Ų144.865%0.65369%0.689SS**  trans16.8141.4142.4-83.4-45.4000126.3
1191K25.1Very low24.9Very low164 Ų164145.3 Ų145.371%0.71369%0.692SS**  93.2103.6124.9-83.2174.8-176.8175.90124.5
1192T21.9Very low24.9Very low106 Ų106144.5 Ų144.565%0.6570%0.695SS**  63.6160.8119.254.10000124.2
1193F24.9Very low24.6Very low175 Ų175142.6 Ų142.677%0.76870%0.696SS**  trans82.2138.1174.8-56.9-65.2000116
1194H25.5Very low24.5Very low146 Ų146144.5 Ų144.568%0.67670%0.701SS**  cis-141136.8-8-113.8-60000107.3
1195C24.6Very low24.3Very low90 Ų90140.6 Ų140.661%0.60869%0.692SS**  58138.3105.4-69.80000116.4
1196Q25.2Very low24.2Very low152 Ų152142.6 Ų142.671%0.7169%0.691SS**  cis-163.9166.70.2-125.9169.2-78.500110.7
1197N23.4Very low23.9Very low116 Ų116140.7 Ų140.762%0.6269%0.686SS**  trans31150.4131-6936.4000121.4
1198D23.5Very low23.7Very low111 Ų111139.4 Ų139.459%0.59469%0.688SS**  cis-163.8161.16.4-110.4-18.1000113.1
1199Y24.5Very low23.7Very low185 Ų185142.8 Ų142.873%0.72570%0.695SS**  trans58.7113143.1-78.9-128.5000122.4
1200N22.2Very low23.6Very low127 Ų127142.4 Ų142.468%0.67970%0.699SS**  63.1144.9111.1-64.41.7000124.3
1201N22.3Very low23.5Very low120 Ų120141.6 Ų141.664%0.64271%0.705SS**  trans78.7132.2152.5-7435.8000121.4
1202E21.7Very low23.4Very low162 Ų162138.7 Ų138.776%0.75771%0.705SS**  34.8143.4122.1-53.9168.8153.700120.3
1203S20.6Very low23.5Very low91 Ų91143.5 Ų143.564%0.63671%0.713SS**  cis-173.8175.5-12.154.80000110.5
1204Y22.5Very low23.4Very low197 Ų197142.3 Ų142.377%0.77371%0.71SS**  trans52.799161.8-67.9-76.8000122.3
1205E22.2Very low23.4Very low150 Ų150140.9 Ų140.970%0.70171%0.705SS**  80.2161.7107.8-136.8169.6-147.600123.5
1206Y22.6Very low23.5Very low179 Ų179143.9 Ų143.970%0.70271%0.707SS**  trans74.5107168.5-81.9-81.5000122.5
1207L22.5Very low23.6Very low132 Ų132143.4 Ų143.469%0.69171%0.705SS**  trans32.3126.3137.6-87.961.6000120.3
1208N24.7Very low23.8Very low148 Ų148145.7 Ų145.779%0.79171%0.706SS**  -169.915190.3-95.6-50000113.5
1209H26.5Very low23.9Very low181 Ų181146.1 Ų146.184%0.83871%0.708SS**  trans-101.2141.1164.5-105.8-68.6000109.6
1210P25.1Very low23.9Very low117 Ų117142 Ų14276%0.7670%0.699SS**  trans-119178.6141.52.618.9000112.3
1211T22Very low23.9Very low125 Ų125140.4 Ų140.477%0.76769%0.689SS**  trans-126.6-170.4-169.5530000112.1
1212S23.7Very low24.1Very low103 Ų103139.3 Ų139.372%0.7268%0.679SS**  trans76.9121.1-171.673.90000113.3
1213Y23Very low24.5Very low206 Ų206137.3 Ų137.381%0.80867%0.673SS**  cis62.5117.839.9-54.8-77000112
1214E24.1Very low24.9Very low151 Ų151136 Ų13671%0.70667%0.665SS**  cis-162.9171.61.5-118.4-174-132.700108.1
1215M25.2Very low25.3Very low115 Ų115132.5 Ų132.557%0.56766%0.664SS**  cis-167.9144.33.2159.967.869.400108.9
1216K25.3Very low25.5Very low153 Ų153128.7 Ų128.767%0.66566%0.658SS**  trans61.7-169.9167.6-81.2161.7-167.4161.30116.9F1222K1216-F1222 HydrophobicContact CB-CE2 4.19Å; K1216-F1222 HydrophobicContact CB-CZ 3.7Å; K1216-F1222 HydrophobicContact CD-CE2 4.43Å; K1216-F1222 HydrophobicContact CD-CZ 4.27Å; K1216-F1222 HydrophobicContact CG-CE2 4.48Å; K1216-F1222 HydrophobicContact CG-CZ 4.36Å
1217H27.9Very low25.7Very low142 Ų142125.2 Ų125.266%0.65766%0.657SS**  169.9178.2-58.4-179.136.2000109F1222H1217-F1222 VanDerWaalsContact C-CE2 3.41Å; H1217-F1222 HydrophobicContact CB-CE2 3.75Å; H1217-F1222 HydrophobicContact CB-CZ 4.16Å; H1217-F1222 WeakPolarHBondContact O-CE2 3.29Å; H1217-F1222 WeakPolarHBondContact O-CZ 3.09Å
1218Y28.5Very low25.8Very low164 Ų164128.6 Ų128.664%0.64366%0.662SS**  trans-173.6141.9174.2-118.3-134.4000105
1219D25.3Very low26Very low120 Ų120125.8 Ų125.864%0.64265%0.654SS**SBendcis-140.3148.39.5-83.3-62.5000110.3
1220D23.3Very low25.9Very low98 Ų98123 Ų12352%0.52465%0.646SS.*SBendcis-154.3177.4-21.7-160.66.2000109F1222D1220-F1222 WeakPolarHBondContact OD1-CB 3.43Å
1221I24Very low26Very low95 Ų95125 Ų12549%0.48764%0.644SS.*  trans52.269.1-166-48.4174.3000112.7
1222F25.9Very low26.2Very low96 Ų96123.4 Ų123.442%0.42163%0.631SS.*SBendcis67.3-146.519.3-127.3-86.8000114.4K1216 H1217 D1220K1216-F1222 HydrophobicContact CB-CE2 4.19Å; K1216-F1222 HydrophobicContact CB-CZ 3.7Å; K1216-F1222 HydrophobicContact CD-CE2 4.43Å; K1216-F1222 HydrophobicContact CD-CZ 4.27Å; K1216-F1222 HydrophobicContact CG-CE2 4.48Å; K1216-F1222 HydrophobicContact CG-CZ 4.36Å; H1217-F1222 VanDerWaalsContact C-CE2 3.41Å; H1217-F1222 HydrophobicContact CB-CE2 3.75Å; H1217-F1222 HydrophobicContact CB-CZ 4.16Å; H1217-F1222 WeakPolarHBondContact O-CE2 3.29Å; H1217-F1222 WeakPolarHBondContact O-CZ 3.09Å; D1220-F1222 WeakPolarHBondContact OD1-CB 3.43Å
1223N29.4Very low26.3Very low120 Ų120125.4 Ų125.464%0.64263%0.629SS**SBendtrans-45.2142.1160.1-162.615.4000110.5
1224S29.2Very low26.4Very low65 Ų65124.9 Ų124.946%0.45563%0.63SS.*SBendtrans49.1124148.665.60000120.9
1225T29.9Very low26.5Very low122 Ų122122.2 Ų122.275%0.74863%0.626SS**  trans45.9111.6133.861.20000119.9
1226A28.1Very low26.5Very low71 Ų71121.8 Ų121.859%0.58762%0.624SS**  trans29.7119.3141.400000118.6Y1228A1226-Y1228 HydrophobicContact CB-CD2 4.34Å
1227P25.7Very low26.6Very low105 Ų105120.2 Ų120.268%0.68262%0.623SS**  -89.2136.285.2-26.437.4000112.2
1228Y24.6Very low26.6Very low203 Ų203120.1 Ų120.180%0.79663%0.628SS**  47100.170.7-82.5-88.9000111.4A1226A1226-Y1228 HydrophobicContact CB-CD2 4.34Å
1229S28.7Very low26.7Very low89 Ų89117.7 Ų117.762%0.62263%0.63SS**  83.797.693.1-176.10000110.5
1230N24.6Very low26.6Very low123 Ų123118.1 Ų118.166%0.65863%0.632SS**  65.5132.183-84.8-13.6000114
1231H27.3Very low26.8Very low158 Ų158120.5 Ų120.573%0.73165%0.645SS**  trans70.7160.2144.7-61.2-19.3000116.1
1232L25.9Very low26.9Very low92 Ų92122.9 Ų122.948%0.48266%0.658SS.*  cis-155.6144.9-15.1-145.863.4000108K1234L1232-K1234 VanDerWaalsContact CD2-O 3.26Å; L1232-K1234 WeakPolarHBondContact CD2-O 3.3Å; L1232-K1234 WeakPolarHBondContact CG-O 3.43Å
1233Q26.7Very low26.9Very low145 Ų145122.9 Ų122.968%0.67867%0.67SS**THydrogen-bonded Turntrans-149.352.7147.7-131.2158.9-31.800118.4P1235 M1236Q1233-P1235 HydrophobicContact CG-CB 4.24Å; Q1233-M1236 HydrophobicContact CG-CG 4.32Å
1234K23.9Very low26.6Very low195 Ų195122.7 Ų122.785%0.84868%0.678SS**THydrogen-bonded Turn-129.4117.6114.9-84.1-170.6177.4176.90108.7L1232L1232-K1234 VanDerWaalsContact CD2-O 3.26Å; L1232-K1234 WeakPolarHBondContact CD2-O 3.3Å; L1232-K1234 WeakPolarHBondContact CG-O 3.43Å
1235P28Very low26.3Very low95 Ų95124.7 Ų124.762%0.61769%0.692SS**THydrogen-bonded Turn-133.8138.7-60.125.6-8.8000115.8Q1233Q1233-P1235 HydrophobicContact CG-CB 4.24Å
1236M24.1Very low26.1Very low106 Ų106124.9 Ų124.952%0.52269%0.693SS.*  trans63.9144.2143.5-88.8175156.500123.3Q1233Q1233-M1236 HydrophobicContact CG-CG 4.32Å
1237N28.8Very low26.1Very low121 Ų121128.3 Ų128.365%0.64770%0.701SS**  trans74.2112.5153.7-59.2-10.1000116.8
1238N26.3Very low26.2Very low140 Ų140129.8 Ų129.875%0.74970%0.702SS**  79.5137.580.5-69-7.5000112.3
1239T30.4Very low26.2Very low112 Ų112127 Ų12769%0.68770%0.701SS**  cis-16114710.3-0.50000112.6
1240N24.3Very low26.3Very low130 Ų130130.8 Ų130.870%0.69571%0.709SS**  trans24.4151.9143.2-55.8-5.5000124.5
1241N26.5Very low26.6Very low148 Ų148133.2 Ų133.279%0.79172%0.72SS**  trans75.3150.4148.9-67.8-7.9000118.3
1242L26.5Very low26.5Very low144 Ų144132.2 Ų132.275%0.75472%0.721SS**  cis-156.5164.8-6.8-158.465000110.8
1243S26.3Very low26.7Very low96 Ų96136.8 Ų136.867%0.67174%0.74SS**  trans57.7128156.150.90000119.6
1244S22.3Very low27Very low117 Ų117140.3 Ų140.382%0.81875%0.748SS**  cis84.8103.237.3-61.30000116
1245S23.1Very low27.6Very low106 Ų106136.1 Ų136.174%0.74174%0.735SS**  161.2138.2125.959.70000113.8
1246T25.7Very low27.9Very low126 Ų126138 Ų13877%0.77374%0.74SS**  trans57.6146.415853.40000118.6
1247L28.7Very low28.7Very low144 Ų144135.7 Ų135.775%0.75474%0.744SS**  cis-152.81706.2-142.673.4000106.1
1248L27.5Very low29.1Very low135 Ų135135.2 Ų135.271%0.70774%0.741SS**  cis-153.1155.73.1-175.557000108.6
1249N25.3Very low29.8Very low146 Ų146135.9 Ų135.978%0.78174%0.737SS**  trans-78.8140.1167.8-60.4-49.8000111.1
1250H29.8Very low30.4Very low168 Ų168139.8 Ų139.878%0.77874%0.741SS**  trans-165.410.9149.7-120.5-60.3000121
1251L30.2Very low31.3Very low173 Ų173139.9 Ų139.991%0.90674%0.735SS**SBendtrans-131.152-174.4-74.7177.9000115.7
1252N26.7Very low32.4Very low138 Ų138136.1 Ų136.174%0.73872%0.721SS**  trans-154.236.3171.4-1381.7000118.6
1253E30.5Very low33.6Very low188 Ų188131.9 Ų131.988%0.87970%0.701SS**SBendtrans-102.1-6.5177.2-104.9179.3162.200115.6
1254Y32.9Very low34.8Very low219 Ų219132.5 Ų132.586%0.85970%0.696SS**SBendtrans-952.7-169.2-138.6-94.5000116
1255N35.2Very low36.4Very low106 Ų106130.3 Ų130.357%0.56768%0.675SS**SBendtrans-99.6-18.7-170.6-85.9-40.7000116.1G1257N1255-G1257 PolarHBondContact O-N 2.89Å
1256N34.9Very low38Very low135 Ų135132.3 Ų132.372%0.72267%0.672SS**Hα-helixtrans-70.2-29-171.9-79.3-10.4000114.5
1257G41Very low39.3Very low58 Ų58133.1 Ų133.160%0.59867%0.665SS**Hα-helixtrans-66.3-40.4179.400000113.7N1255 F1259 F1261N1255-G1257 PolarHBondContact O-N 2.89Å; G1257-F1259 VanDerWaalsContact C-N 3.31Å; G1257-F1259 PolarHBondContact O-N 3.27Å; G1257-F1261 PolarHBondContact O-N 3.4Å
1258N37.8Very low40.6Very low111 Ų111129.6 Ų129.659%0.59465%0.652SS**Hα-helixtrans-69-28.9-177.7-74.8-34.1000112.8S1262N1258-S1262 VanDerWaalsContact O-CB 3.24Å; N1258-S1262 WeakPolarHBondContact O-CB 3.4Å; N1258-S1262 PolarHBondContact O-N 3.34Å
1259F39.3Very low42.4Very low153 Ų153129.1 Ų129.167%0.67164%0.644SS**Hα-helixtrans-69.6-41.1-178.8-156.5-95.3000112.2G1257 T1263G1257-F1259 VanDerWaalsContact C-N 3.31Å; G1257-F1259 PolarHBondContact O-N 3.27Å; F1259-T1263 WeakPolarHBondContact O-CB 3.49Å; F1259-T1263 PolarHBondContact O-N 2.89Å; F1259-T1263 PolarHBondContact O-OG1 2.85Å
1260Y44.4Very low44.7Very low194 Ų194124 Ų12476%0.76162%0.62SS**Hα-helixtrans-65.5-45.1174.1-88-84.5000112.3S1262 T1263 L1264Y1260-S1262 PolarHBondContact O-N 3.48Å; Y1260-T1263 PolarHBondContact O-N 2.89Å; Y1260-L1264 WeakPolarHBondContact O-CB 3.46Å; Y1260-L1264 PolarHBondContact O-N 3.05Å
1261F42.7Very low46.9Very low132 Ų132119.1 Ų119.158%0.57960%0.603SS**Hα-helixtrans-63.1-42.6178.1-172.5-112.8000112.1G1257 L1264 L1265G1257-F1261 PolarHBondContact O-N 3.4Å; F1261-L1264 PolarHBondContact O-N 2.97Å; F1261-L1265 HydrophobicContact CD1-CD1 3.84Å; F1261-L1265 HydrophobicContact CE1-CD1 3.52Å; F1261-L1265 HydrophobicContact CE1-CG 4.41Å; F1261-L1265 HydrophobicContact CG-CD1 4.49Å; F1261-L1265 HydrophobicContact CZ-CD1 3.9Å; F1261-L1265 HydrophobicContact CZ-CG 4.4Å; F1261-L1265 WeakPolarHBondContact O-CG 3.35Å; F1261-L1265 PolarHBondContact O-N 2.77Å
1262S49.3Very low49.3Very low70 Ų70116.3 Ų116.349%0.4959%0.588SS.*Hα-helixtrans-61.6-45.8173.8-1770000112.2N1258 Y1260 L1264 L1265 H1266N1258-S1262 VanDerWaalsContact O-CB 3.24Å; N1258-S1262 WeakPolarHBondContact O-CB 3.4Å; N1258-S1262 PolarHBondContact O-N 3.34Å; Y1260-S1262 PolarHBondContact O-N 3.48Å; S1262-L1264 VanDerWaalsContact C-N 3.35Å; S1262-L1264 PolarHBondContact O-N 3.23Å; S1262-L1265 PolarHBondContact O-N 3.42Å; S1262-H1266 WeakPolarHBondContact O-CB 3.33Å; S1262-H1266 PolarHBondContact O-N 2.95Å
1263T51.9Low52Low55 Ų55110.9 Ų110.934%0.33757%0.565SS.*Hα-helixtrans-63.7-39.3178.5-55.30000111.9F1259 Y1260 H1266 K1267F1259-T1263 WeakPolarHBondContact O-CB 3.49Å; F1259-T1263 PolarHBondContact O-N 2.89Å; F1259-T1263 PolarHBondContact O-OG1 2.85Å; Y1260-T1263 PolarHBondContact O-N 2.89Å; T1263-H1266 PolarHBondContact O-N 2.76Å; T1263-K1267 WeakPolarHBondContact O-CG 3.44Å; T1263-K1267 PolarHBondContact O-N 2.93Å; T1263-K1267 VanDerWaalsContact O-N 3.11Å
1264L52.1Low54.7Low109 Ų109103.8 Ų103.857%0.57153%0.533SS*.Hα-helixtrans-66.4-47.9177.7-16872.4000111.1Y1260 F1261 S1262 H1266 K1267 C1268Y1260-L1264 WeakPolarHBondContact O-CB 3.46Å; Y1260-L1264 PolarHBondContact O-N 3.05Å; F1261-L1264 PolarHBondContact O-N 2.97Å; S1262-L1264 VanDerWaalsContact C-N 3.35Å; S1262-L1264 PolarHBondContact O-N 3.23Å; L1264-H1266 VanDerWaalsContact C-N 3.33Å; L1264-H1266 PolarHBondContact O-N 3Å; L1264-K1267 PolarHBondContact O-N 3.38Å; L1264-C1268 PolarHBondContact O-N 3.39Å; L1264-C1268 PolarHBondContact O-SG 2.98Å; L1264-C1268 VanDerWaalsContact O-SG 3.36Å
1265L54.9Low57.3Low71 Ų7193.9 Ų93.937%0.37250%0.495SS..Hα-helixtrans-57.6-45174.2-74.4171.7000111.6F1261 S1262 K1267 C1268 F1269F1261-L1265 HydrophobicContact CD1-CD1 3.84Å; F1261-L1265 HydrophobicContact CE1-CD1 3.52Å; F1261-L1265 HydrophobicContact CE1-CG 4.41Å; F1261-L1265 HydrophobicContact CG-CD1 4.49Å; F1261-L1265 HydrophobicContact CZ-CD1 3.9Å; F1261-L1265 HydrophobicContact CZ-CG 4.4Å; F1261-L1265 WeakPolarHBondContact O-CG 3.35Å; F1261-L1265 PolarHBondContact O-N 2.77Å; S1262-L1265 PolarHBondContact O-N 3.42Å; L1265-K1267 PolarHBondContact O-N 2.94Å; L1265-C1268 PolarHBondContact O-N 3.14Å; L1265-C1268 VanDerWaalsContact O-N 3.15Å; L1265-F1269 HydrophobicContact CD2-CE2 4.2Å; L1265-F1269 WeakPolarHBondContact O-CD2 3.39Å; L1265-F1269 PolarHBondContact O-N 3.47Å
1266H57.6Low59.9Low148 Ų14892.6 Ų92.669%0.68549%0.491SS*.Hα-helixtrans-67.1-23.3-179-152.7-46.6000113.2S1262 T1263 L1264S1262-H1266 WeakPolarHBondContact O-CB 3.33Å; S1262-H1266 PolarHBondContact O-N 2.95Å; T1263-H1266 PolarHBondContact O-N 2.76Å; L1264-H1266 VanDerWaalsContact C-N 3.33Å; L1264-H1266 PolarHBondContact O-N 3Å
1267K53Low62.6Low143 Ų14391 Ų9162%0.62248%0.482SS*.Hα-helixtrans-78.3-44168.4-74.1-179.7177.5-177.40112.1T1263 L1264 L1265 F1269 S1270T1263-K1267 WeakPolarHBondContact O-CG 3.44Å; T1263-K1267 PolarHBondContact O-N 2.93Å; T1263-K1267 VanDerWaalsContact O-N 3.11Å; L1264-K1267 PolarHBondContact O-N 3.38Å; L1265-K1267 PolarHBondContact O-N 2.94Å; K1267-F1269 VanDerWaalsContact C-N 3.34Å; K1267-F1269 PolarHBondContact O-N 2.91Å; K1267-S1270 VanDerWaalsContact O-CB 3.26Å; K1267-S1270 WeakPolarHBondContact O-CB 3.38Å; K1267-S1270 PolarHBondContact O-N 3.16Å; K1267-S1270 VanDerWaalsContact O-N 3.11Å; K1267-S1270 PolarHBondContact O-OG 3.05Å
1268C55.9Low65Low70 Ų7088.2 Ų88.247%0.47345%0.453SS..Hα-helixtrans-63.5-37.1177.8-67.20000113L1264 L1265 S1270L1264-C1268 PolarHBondContact O-N 3.39Å; L1264-C1268 PolarHBondContact O-SG 2.98Å; L1264-C1268 VanDerWaalsContact O-SG 3.36Å; L1265-C1268 PolarHBondContact O-N 3.14Å; L1265-C1268 VanDerWaalsContact O-N 3.15Å; C1268-S1270 VanDerWaalsContact C-N 3.29Å; C1268-S1270 PolarHBondContact O-N 3.47Å
1269F65.4Low67.7Low124 Ų12487.3 Ų87.354%0.54445%0.447SS..THydrogen-bonded Turntrans-82.43.1174.4-78.1-72000114.3L1265 K1267 L1274L1265-F1269 HydrophobicContact CD2-CE2 4.2Å; L1265-F1269 WeakPolarHBondContact O-CD2 3.39Å; L1265-F1269 PolarHBondContact O-N 3.47Å; K1267-F1269 VanDerWaalsContact C-N 3.34Å; K1267-F1269 PolarHBondContact O-N 2.91Å; F1269-L1274 HydrophobicContact CD1-CD2 4.28Å
1270S73.1Confident70.3Confident40 Ų4085 Ų8528%0.2844%0.441SS..SBendtrans-65.9149168.672.40000110.5K1267 C1268 L1272 G1273 L1274K1267-S1270 VanDerWaalsContact O-CB 3.26Å; K1267-S1270 WeakPolarHBondContact O-CB 3.38Å; K1267-S1270 PolarHBondContact O-N 3.16Å; K1267-S1270 VanDerWaalsContact O-N 3.11Å; K1267-S1270 PolarHBondContact O-OG 3.05Å; C1268-S1270 VanDerWaalsContact C-N 3.29Å; C1268-S1270 PolarHBondContact O-N 3.47Å; S1270-L1272 PolarHBondContact O-N 2.75Å; S1270-L1272 VanDerWaalsContact O-N 3.13Å; S1270-G1273 PolarHBondContact O-N 2.89Å; S1270-G1273 PolarHBondContact OG-N 2.74Å; S1270-G1273 VanDerWaalsContact OG-N 3.12Å; S1270-L1274 PolarHBondContact O-N 3.46Å
1271P75.3Confident72.6Confident65 Ų6576.2 Ų76.242%0.42241%0.409SS..Hα-helixtrans-51.8-37176.5-31.737.8000114T1275 F1320P1271-T1275 WeakPolarHBondContact O-CG2 3.28Å; P1271-T1275 PolarHBondContact O-N 2.91Å; P1271-T1275 PolarHBondContact O-OG1 3.04Å; P1271-F1320 HydrophobicContact CB-CD1 4.39Å; P1271-F1320 HydrophobicContact CB-CE1 4.33Å
1272L81.1Confident75Confident114 Ų11472.6 Ų72.660%0.59740%0.396SS*.Hα-helixtrans-67.4-43.3174.7-88.7160.8000112.6S1270 L1274 T1275 V1276S1270-L1272 PolarHBondContact O-N 2.75Å; S1270-L1272 VanDerWaalsContact O-N 3.13Å; L1272-L1274 VanDerWaalsContact C-N 3.34Å; L1272-L1274 PolarHBondContact O-N 3.35Å; L1272-T1275 PolarHBondContact O-N 3.37Å; L1272-T1275 PolarHBondContact O-OG1 3.44Å; L1272-T1275 VanDerWaalsContact O-OG1 3.06Å; L1272-V1276 WeakPolarHBondContact O-CB 3.5Å; L1272-V1276 VanDerWaalsContact O-CG2 3.28Å; L1272-V1276 WeakPolarHBondContact O-CG2 3.31Å; L1272-V1276 PolarHBondContact O-N 3.01Å
1273G84.8Confident77.2Confident23 Ų2372.7 Ų72.724%0.23739%0.393CS..Hα-helixtrans-60.9-43.2176.100000112.3S1270 V1276 L1277S1270-G1273 PolarHBondContact O-N 2.89Å; S1270-G1273 PolarHBondContact OG-N 2.74Å; S1270-G1273 VanDerWaalsContact OG-N 3.12Å; G1273-V1276 PolarHBondContact O-N 2.72Å; G1273-L1277 WeakPolarHBondContact O-CB 3.39Å; G1273-L1277 PolarHBondContact O-N 3.46Å
1274L85.5Confident79.1Confident40 Ų4074.8 Ų74.821%0.20940%0.398CS..Hα-helixtrans-67.9-37.8178.1-62.6177.5000112.8F1269 S1270 L1272 G1278 L1315 S1319F1269-L1274 HydrophobicContact CD1-CD2 4.28Å; S1270-L1274 PolarHBondContact O-N 3.46Å; L1272-L1274 VanDerWaalsContact C-N 3.34Å; L1272-L1274 PolarHBondContact O-N 3.35Å; L1274-G1278 PolarHBondContact O-N 3.39Å; L1274-L1315 HydrophobicContact CB-CD2 4.48Å; L1274-L1315 HydrophobicContact CD2-CD2 4.25Å; L1274-S1319 VanDerWaalsContact CB-OG 3.27Å; L1274-S1319 WeakPolarHBondContact CB-OG 3.25Å
1275T87.7Confident80.9Confident11 Ų1170.1 Ų70.17%0.06738%0.375CS..Hα-helixtrans-70.1-39.9173.555.10000112.9P1271 L1272 G1278 I1279 S1319 F1320P1271-T1275 WeakPolarHBondContact O-CG2 3.28Å; P1271-T1275 PolarHBondContact O-N 2.91Å; P1271-T1275 PolarHBondContact O-OG1 3.04Å; L1272-T1275 PolarHBondContact O-N 3.37Å; L1272-T1275 PolarHBondContact O-OG1 3.44Å; L1272-T1275 VanDerWaalsContact O-OG1 3.06Å; T1275-G1278 PolarHBondContact O-N 2.93Å; T1275-I1279 VanDerWaalsContact O-CG1 3.28Å; T1275-I1279 WeakPolarHBondContact O-CG1 3.4Å; T1275-I1279 PolarHBondContact O-N 3.43Å; T1275-S1319 VanDerWaalsContact CG2-CB 3.45Å; T1275-F1320 HydrophobicContact CG2-CD2 3.98Å; T1275-F1320 HydrophobicContact CG2-CE2 3.6Å; T1275-F1320 HydrophobicContact CG2-CZ 4.36Å
1276V90.6Very high82.6Confident79 Ų7970.1 Ų70.148%0.47938%0.38SS..Hα-helixtrans-61.6-45.1175.9170.10000110.7L1272 G1273 G1278 I1279 I1280L1272-V1276 WeakPolarHBondContact O-CB 3.5Å; L1272-V1276 VanDerWaalsContact O-CG2 3.28Å; L1272-V1276 WeakPolarHBondContact O-CG2 3.31Å; L1272-V1276 PolarHBondContact O-N 3.01Å; G1273-V1276 PolarHBondContact O-N 2.72Å; V1276-G1278 VanDerWaalsContact C-N 3.34Å; V1276-G1278 PolarHBondContact O-N 2.93Å; V1276-I1279 PolarHBondContact O-N 2.86Å; V1276-I1280 HydrophobicContact CG1-CD1 3.91Å; V1276-I1280 WeakPolarHBondContact O-CG1 3.43Å; V1276-I1280 PolarHBondContact O-N 3.33Å
1277L91.2Very high84.2Confident101 Ų10168.6 Ų68.653%0.52938%0.375SS..Hα-helixtrans-59.7-43.1174.8-177.862.3000112G1273 I1280 G1281 L1315G1273-L1277 WeakPolarHBondContact O-CB 3.39Å; G1273-L1277 PolarHBondContact O-N 3.46Å; L1277-I1280 PolarHBondContact O-N 3.22Å; L1277-G1281 PolarHBondContact O-N 2.82Å; L1277-L1315 HydrophobicContact CD2-CD1 4.21Å; L1277-L1315 HydrophobicContact CG-CD1 4.37Å
1278G91.7Very high85.8Confident0 Ų064.2 Ų64.20%036%0.355CS..Hα-helixtrans-65.3-37.1175.200000113.7L1274 T1275 V1276 G1281 L1282 S1312L1274-G1278 PolarHBondContact O-N 3.39Å; T1275-G1278 PolarHBondContact O-N 2.93Å; V1276-G1278 VanDerWaalsContact C-N 3.34Å; V1276-G1278 PolarHBondContact O-N 2.93Å; G1278-G1281 PolarHBondContact O-N 3.47Å; G1278-L1282 WeakPolarHBondContact O-CB 3.49Å; G1278-L1282 VanDerWaalsContact O-CG 3.3Å; G1278-L1282 WeakPolarHBondContact O-CG 3.17Å; G1278-L1282 PolarHBondContact O-N 3.15Å; G1278-S1312 WeakPolarHBondContact O-CB 3.41Å
1279I94.1Very high87.4Confident92 Ų9261.8 Ų61.847%0.47234%0.338SS..Hα-helixtrans-67.5-39.4175.2-69.3163.2000110.8T1275 V1276 L1282 T1283 V1316T1275-I1279 VanDerWaalsContact O-CG1 3.28Å; T1275-I1279 WeakPolarHBondContact O-CG1 3.4Å; T1275-I1279 PolarHBondContact O-N 3.43Å; V1276-I1279 PolarHBondContact O-N 2.86Å; I1279-L1282 PolarHBondContact O-N 3.1Å; I1279-T1283 HydrophobicContact CG2-CG2 4.47Å; I1279-T1283 WeakPolarHBondContact O-CB 3.2Å; I1279-T1283 WeakPolarHBondContact O-CG2 3.36Å; I1279-T1283 PolarHBondContact O-N 3.42Å; I1279-T1283 PolarHBondContact O-OG1 2.8Å; I1279-V1316 HydrophobicContact CG1-CG2 4.28Å
1280I94.3Very high88.5Confident103 Ų10363.3 Ų63.353%0.52835%0.345SS..Hα-helixtrans-62.3-46.3174.2-68164.7000110.7V1276 L1277 T1283 F1284V1276-I1280 HydrophobicContact CG1-CD1 3.91Å; V1276-I1280 WeakPolarHBondContact O-CG1 3.43Å; V1276-I1280 PolarHBondContact O-N 3.33Å; L1277-I1280 PolarHBondContact O-N 3.22Å; I1280-T1283 WeakPolarHBondContact CA-OG1 3.19Å; I1280-T1283 PolarHBondContact O-N 2.91Å; I1280-T1283 PolarHBondContact O-OG1 2.72Å; I1280-T1283 VanDerWaalsContact O-OG1 3.06Å; I1280-F1284 WeakPolarHBondContact O-CB 3.44Å; I1280-F1284 PolarHBondContact O-N 3.42Å
1281G93.1Very high89.3Confident10 Ų1064.8 Ų64.810%0.10336%0.36CS..Hα-helixtrans-66.8-36.8178.200000113.9L1277 G1278 S1285 S1312L1277-G1281 PolarHBondContact O-N 2.82Å; G1278-G1281 PolarHBondContact O-N 3.47Å; G1281-S1285 WeakPolarHBondContact O-CB 3.43Å; G1281-S1285 PolarHBondContact O-N 2.94Å; G1281-S1285 VanDerWaalsContact O-N 3.09Å; G1281-S1285 PolarHBondContact O-OG 3.38Å; G1281-S1312 WeakPolarHBondContact CA-OG 3.47Å
1282L93.2Very high90Very high56 Ų5662.2 Ų62.229%0.29334%0.343SS..Hα-helixtrans-67.6-44.4173-72.7172.4000112.2G1278 I1279 S1285 C1286 P1309 V1316G1278-L1282 WeakPolarHBondContact O-CB 3.49Å; G1278-L1282 VanDerWaalsContact O-CG 3.3Å; G1278-L1282 WeakPolarHBondContact O-CG 3.17Å; G1278-L1282 PolarHBondContact O-N 3.15Å; I1279-L1282 PolarHBondContact O-N 3.1Å; L1282-S1285 WeakPolarHBondContact O-CB 3.39Å; L1282-S1285 PolarHBondContact O-N 3.15Å; L1282-S1285 VanDerWaalsContact O-N 3.16Å; L1282-C1286 PolarHBondContact O-N 3.48Å; L1282-C1286 PolarHBondContact O-SG 3.02Å; L1282-P1309 HydrophobicContact CD2-CB 4.49Å; L1282-V1316 HydrophobicContact CD1-CG2 4.18Å
1283T94Very high90.2Very high72 Ų7262.2 Ų62.244%0.44235%0.353SS..Hα-helixtrans-66.8-41179.146.30000112.3I1279 I1280 S1285 C1286 I1287I1279-T1283 HydrophobicContact CG2-CG2 4.47Å; I1279-T1283 WeakPolarHBondContact O-CB 3.2Å; I1279-T1283 WeakPolarHBondContact O-CG2 3.36Å; I1279-T1283 PolarHBondContact O-N 3.42Å; I1279-T1283 PolarHBondContact O-OG1 2.8Å; I1280-T1283 WeakPolarHBondContact CA-OG1 3.19Å; I1280-T1283 PolarHBondContact O-N 2.91Å; I1280-T1283 PolarHBondContact O-OG1 2.72Å; I1280-T1283 VanDerWaalsContact O-OG1 3.06Å; T1283-S1285 VanDerWaalsContact C-N 3.28Å; T1283-S1285 PolarHBondContact O-N 3.08Å; T1283-C1286 PolarHBondContact O-N 3.2Å; T1283-I1287 WeakPolarHBondContact O-CG1 3.3Å; T1283-I1287 PolarHBondContact O-N 2.87Å
1284F92.5Very high90.4Very high100 Ų10065 Ų6544%0.43936%0.363SS..Hα-helixtrans-55.6-43.7168.9175.6-99.8000111.9I1280 I1287 Y1288 M1305 I1308I1280-F1284 WeakPolarHBondContact O-CB 3.44Å; I1280-F1284 PolarHBondContact O-N 3.42Å; F1284-I1287 PolarHBondContact O-N 2.95Å; F1284-Y1288 PolarHBondContact O-N 3.48Å; F1284-M1305 HydrophobicContact CE1-CE 3.95Å; F1284-M1305 HydrophobicContact CZ-CE 3.9Å; F1284-I1308 HydrophobicContact CD1-CG2 4.36Å; F1284-I1308 HydrophobicContact CE1-CD1 4.16Å
1285S89.1Confident90.5Very high11 Ų1167.2 Ų67.28%0.07737%0.368CS..Hα-helixtrans-66.2-37.9179.1-56.80000112.7G1281 L1282 T1283 Y1288 V1289 P1309G1281-S1285 WeakPolarHBondContact O-CB 3.43Å; G1281-S1285 PolarHBondContact O-N 2.94Å; G1281-S1285 VanDerWaalsContact O-N 3.09Å; G1281-S1285 PolarHBondContact O-OG 3.38Å; L1282-S1285 WeakPolarHBondContact O-CB 3.39Å; L1282-S1285 PolarHBondContact O-N 3.15Å; L1282-S1285 VanDerWaalsContact O-N 3.16Å; T1283-S1285 VanDerWaalsContact C-N 3.28Å; T1283-S1285 PolarHBondContact O-N 3.08Å; S1285-Y1288 PolarHBondContact O-N 3.41Å; S1285-V1289 WeakPolarHBondContact O-CG2 3.13Å; S1285-V1289 PolarHBondContact O-N 3.47Å; S1285-P1309 WeakPolarHBondContact OG-CB 3.19Å; S1285-P1309 VanDerWaalsContact OG-CD 3.29Å; S1285-P1309 WeakPolarHBondContact OG-CD 3.28Å
1286C91.5Very high90.5Very high70 Ų7073.2 Ų73.247%0.47340%0.395SS..Hα-helixtrans-63.6-44.7172.1-70.10000111.7L1282 T1283 Y1288 V1289 F1290L1282-C1286 PolarHBondContact O-N 3.48Å; L1282-C1286 PolarHBondContact O-SG 3.02Å; T1283-C1286 PolarHBondContact O-N 3.2Å; C1286-Y1288 PolarHBondContact O-N 2.95Å; C1286-V1289 PolarHBondContact O-N 3.23Å; C1286-F1290 VanDerWaalsContact O-CD2 3.24Å; C1286-F1290 WeakPolarHBondContact O-CD2 3.47Å; C1286-F1290 PolarHBondContact O-N 3.49Å
1287I91Very high90.5Very high117 Ų11773.1 Ų73.160%0.640%0.395SS*.Hα-helixtrans-59.5-46.2177-67.5163.3000110.5T1283 F1284 V1289 F1290 A1291T1283-I1287 WeakPolarHBondContact O-CG1 3.3Å; T1283-I1287 PolarHBondContact O-N 2.87Å; F1284-I1287 PolarHBondContact O-N 2.95Å; I1287-V1289 PolarHBondContact O-N 3.41Å; I1287-F1290 PolarHBondContact O-N 2.94Å; I1287-A1291 VanDerWaalsContact O-CB 3.25Å; I1287-A1291 WeakPolarHBondContact O-CB 3.41Å; I1287-A1291 PolarHBondContact O-N 3.01Å
1288Y87.7Confident90.5Very high50 Ų5068.8 Ų68.820%0.19637%0.373CS..Hα-helixtrans-57.5-44.2175171.9-103.6000112.8F1284 S1285 C1286 F1290 A1291 C1292 C1298 I1301F1284-Y1288 PolarHBondContact O-N 3.48Å; S1285-Y1288 PolarHBondContact O-N 3.41Å; C1286-Y1288 PolarHBondContact O-N 2.95Å; Y1288-F1290 PolarHBondContact O-N 3.27Å; Y1288-A1291 PolarHBondContact O-N 3.39Å; Y1288-C1292 PolarHBondContact O-N 3.01Å; Y1288-C1298 WeakPolarHBondContact OH-CA 3.39Å; Y1288-C1298 PolarHBondContact OH-O 3.13Å; Y1288-I1301 HydrophobicContact CE2-CG2 3.88Å; Y1288-I1301 WeakPolarHBondContact OH-CB 3.12Å; Y1288-I1301 WeakPolarHBondContact OH-CG2 3.34Å
1289V88.9Confident90.5Very high20 Ų2069.5 Ų69.512%0.12138%0.377CS..Hα-helixtrans-65.3-36.9179.1165.20000112.5P557 M560 S1285 C1286 I1287P557-V1289 HydrophobicContact CB-CG1 3.94Å; P557-V1289 VanDerWaalsContact O-CG1 3.28Å; P557-V1289 WeakPolarHBondContact O-CG1 3.06Å; M560-V1289 HydrophobicContact CB-CG1 4.33Å; M560-V1289 HydrophobicContact CB-CG2 4.24Å; S1285-V1289 WeakPolarHBondContact O-CG2 3.13Å; S1285-V1289 PolarHBondContact O-N 3.47Å; C1286-V1289 PolarHBondContact O-N 3.23Å; I1287-V1289 PolarHBondContact O-N 3.41Å
1290F89Confident90.3Very high155 Ų15570.2 Ų70.268%0.6838%0.378SS*.Hα-helixtrans-81.1-29.5176.9-76.1-66.2000114P557 C1286 I1287 Y1288 C1292P557-F1290 HydrophobicContact CB-CD1 4.06Å; P557-F1290 HydrophobicContact CB-CE1 4.15Å; P557-F1290 HydrophobicContact CG-CD1 4.07Å; P557-F1290 HydrophobicContact CG-CE1 4.48Å; C1286-F1290 VanDerWaalsContact O-CD2 3.24Å; C1286-F1290 WeakPolarHBondContact O-CD2 3.47Å; C1286-F1290 PolarHBondContact O-N 3.49Å; I1287-F1290 PolarHBondContact O-N 2.94Å; Y1288-F1290 PolarHBondContact O-N 3.27Å; F1290-C1292 PolarHBondContact O-N 3.42Å
1291A90.1Very high90.1Very high72 Ų7268.5 Ų68.560%0.59537%0.369SS*.SBendtrans-77-4.8175.900000113.8I1287 Y1288 S1293I1287-A1291 VanDerWaalsContact O-CB 3.25Å; I1287-A1291 WeakPolarHBondContact O-CB 3.41Å; I1287-A1291 PolarHBondContact O-N 3.01Å; Y1288-A1291 PolarHBondContact O-N 3.39Å; A1291-S1293 PolarHBondContact O-N 3.25Å; A1291-S1293 VanDerWaalsContact O-N 3.11Å
1292C88.5Confident90.1Very high11 Ų1168.4 Ų68.47%0.07437%0.366CS..  trans-76.397.3-176.7179.60000113.1T556 Y1288 F1290 C1298T556-C1292 HydrophobicContact CG2-CB 4.35Å; T556-C1292 WeakPolarHBondContact CG2-O 3.24Å; Y1288-C1292 PolarHBondContact O-N 3.01Å; F1290-C1292 PolarHBondContact O-N 3.42Å; C1292-C1298 VanDerWaalsContact CA-SG 3.56Å; C1292-C1298 HydrophobicContact CB-CB 4.23Å; C1292-C1298 WeakPolarHBondContact CB-SG 3.42Å; C1292-C1298 WeakPolarHBondContact SG-CB 3.28Å; C1292-C1298 CovalentContact SG-SG 2.03Å; C1292-C1298 PolarHBondContact SG-SG 3.39Å
1293S86.1Confident90.1Very high114 Ų11465.8 Ų65.880%0.79735%0.352SS*.  trans-81.9-54172.1-50.50000113.2A1291A1291-S1293 PolarHBondContact O-N 3.25Å; A1291-S1293 VanDerWaalsContact O-N 3.11Å
1294N89.4Confident90Very high82 Ų8267.2 Ų67.244%0.43935%0.35SS..  trans-93.6117.4-179.5-174-11000111.8E1296 T1297 C1298N1294-E1296 VanDerWaalsContact C-N 3.35Å; N1294-E1296 PolarHBondContact O-N 3.24Å; N1294-E1296 PolarHBondContact OD1-N 3.02Å; N1294-T1297 PolarHBondContact ND2-OG1 3.32Å; N1294-C1298 PolarHBondContact O-N 3.39Å; N1294-C1298 VanDerWaalsContact O-N 3.16Å; N1294-C1298 PolarHBondContact O-SG 3.29Å
1295R87.9Confident89.9Confident85 Ų8565.4 Ų65.432%0.32134%0.344SS..Hα-helixtrans-58.7-40.8179.8-69.2-179.1-177.8167.45.9113.5R554 T556 M560 C1298 L1299R554-R1295 PolarHBondContact O-NH2 3.45Å; T556-R1295 HydrophobicContact CG2-CG 3.82Å; T556-R1295 PolarHBondContact OG1-NE 2.83Å; T556-R1295 PolarHBondContact OG1-NH2 3.46Å; M560-R1295 HydrophobicContact CE-CB 4.32Å; M560-R1295 HydrophobicContact CE-CG 4.44Å; R1295-C1298 PolarHBondContact O-N 3.5Å; R1295-L1299 WeakPolarHBondContact O-CB 3.34Å; R1295-L1299 VanDerWaalsContact O-CG 3.26Å; R1295-L1299 WeakPolarHBondContact O-CG 3.46Å; R1295-L1299 PolarHBondContact O-N 2.93Å
1296E87.7Confident90.1Very high138 Ų13865 Ų6565%0.64534%0.341SS*.Hα-helixtrans-68.7-48.5-174-60.8-174.8154.800110.8N1294 C1298 L1299 H1300N1294-E1296 VanDerWaalsContact C-N 3.35Å; N1294-E1296 PolarHBondContact O-N 3.24Å; N1294-E1296 PolarHBondContact OD1-N 3.02Å; E1296-C1298 VanDerWaalsContact C-N 3.34Å; E1296-C1298 PolarHBondContact O-N 3.38Å; E1296-L1299 PolarHBondContact O-N 2.93Å; E1296-L1299 VanDerWaalsContact O-N 3.15Å; E1296-H1300 PolarHBondContact O-CD2 3.47Å; E1296-H1300 VanDerWaalsContact O-CD2 3.31Å; E1296-H1300 PolarHBondContact O-N 2.89Å
1297T89.6Confident90.3Very high76 Ų7664.4 Ų64.447%0.46633%0.333SS..Hα-helixtrans-57.9-46.2175.6-41.20000111.2N1294 L1299 H1300 I1301N1294-T1297 PolarHBondContact ND2-OG1 3.32Å; T1297-L1299 PolarHBondContact O-N 2.91Å; T1297-H1300 PolarHBondContact O-N 2.86Å; T1297-I1301 HydrophobicContact CG2-CD1 4.1Å; T1297-I1301 WeakPolarHBondContact O-CG1 3.26Å; T1297-I1301 PolarHBondContact O-N 3.43Å; T1297-I1301 VanDerWaalsContact O-N 3.1Å
1298C92.1Very high90.4Very high10 Ų1061.8 Ų61.87%0.06832%0.319CS..Hα-helixtrans-65.9-35177.2-61.10000113.1M560 Y1288 C1292 N1294 R1295 E1296 I1301 H1302M560-C1298 HydrophobicContact CE-CB 3.41Å; M560-C1298 VanDerWaalsContact CE-CB 3.41Å; M560-C1298 HydrophobicContact SD-CB 3.96Å; Y1288-C1298 WeakPolarHBondContact OH-CA 3.39Å; Y1288-C1298 PolarHBondContact OH-O 3.13Å; C1292-C1298 VanDerWaalsContact CA-SG 3.56Å; C1292-C1298 HydrophobicContact CB-CB 4.23Å; C1292-C1298 WeakPolarHBondContact CB-SG 3.42Å; C1292-C1298 WeakPolarHBondContact SG-CB 3.28Å; C1292-C1298 CovalentContact SG-SG 2.03Å; C1292-C1298 PolarHBondContact SG-SG 3.39Å; N1294-C1298 PolarHBondContact O-N 3.39Å; N1294-C1298 VanDerWaalsContact O-N 3.16Å; N1294-C1298 PolarHBondContact O-SG 3.29Å; R1295-C1298 PolarHBondContact O-N 3.5Å; E1296-C1298 VanDerWaalsContact C-N 3.34Å; E1296-C1298 PolarHBondContact O-N 3.38Å; C1298-I1301 PolarHBondContact O-N 2.69Å; C1298-H1302 WeakPolarHBondContact O-CB 3.29Å; C1298-H1302 PolarHBondContact O-N 2.9Å
1299L91.2Very high90.6Very high15 Ų1560 Ų608%0.07931%0.314CS..Hα-helixtrans-66.7-38175.5-81.5165.3000112F559 M560 R563 F1081 I1085 R1295 E1296 T1297F559-L1299 HydrophobicContact CE1-CD1 4.13Å; F559-L1299 HydrophobicContact CE1-CD2 3.9Å; F559-L1299 HydrophobicContact CE1-CG 4.15Å; F559-L1299 HydrophobicContact CZ-CD1 4.24Å; F559-L1299 HydrophobicContact CZ-CD2 4.12Å; M560-L1299 HydrophobicContact CE-CG 4.16Å; R563-L1299 HydrophobicContact CG-CD2 4.17Å; F1081-L1299 HydrophobicContact CE2-CD1 4.47Å; F1081-L1299 HydrophobicContact CZ-CD1 4.12Å; I1085-L1299 HydrophobicContact CD1-CD2 4.07Å; I1085-L1299 HydrophobicContact CG1-CD2 4.11Å; I1085-L1299 HydrophobicContact CG2-CD2 3.86Å; R1295-L1299 WeakPolarHBondContact O-CB 3.34Å; R1295-L1299 VanDerWaalsContact O-CG 3.26Å; R1295-L1299 WeakPolarHBondContact O-CG 3.46Å; R1295-L1299 PolarHBondContact O-N 2.93Å; E1296-L1299 PolarHBondContact O-N 2.93Å; E1296-L1299 VanDerWaalsContact O-N 3.15Å; T1297-L1299 PolarHBondContact O-N 2.91Å
1300H89.5Confident90.9Very high107 Ų10759.1 Ų59.150%0.49531%0.308SS..Hα-helixtrans-65.7-39.7173.1-82.7-76.5000112.6Y1038 E1296 T1297Y1038-H1300 PolarHBondContact OH-CE1 2.95Å; Y1038-H1300 PolarHBondContact OH-ND1 3.11Å; E1296-H1300 PolarHBondContact O-CD2 3.47Å; E1296-H1300 VanDerWaalsContact O-CD2 3.31Å; E1296-H1300 PolarHBondContact O-N 2.89Å; T1297-H1300 PolarHBondContact O-N 2.86Å
1301I91Very high91.1Very high68 Ų6853.4 Ų53.435%0.34929%0.286SS..Hα-helixtrans-74.3-36179.3-67.4167.3000111.7Y1288 T1297 C1298 A1303 Y1304 M1305Y1288-I1301 HydrophobicContact CE2-CG2 3.88Å; Y1288-I1301 WeakPolarHBondContact OH-CB 3.12Å; Y1288-I1301 WeakPolarHBondContact OH-CG2 3.34Å; T1297-I1301 HydrophobicContact CG2-CD1 4.1Å; T1297-I1301 WeakPolarHBondContact O-CG1 3.26Å; T1297-I1301 PolarHBondContact O-N 3.43Å; T1297-I1301 VanDerWaalsContact O-N 3.1Å; C1298-I1301 PolarHBondContact O-N 2.69Å; I1301-A1303 VanDerWaalsContact C-N 3.27Å; I1301-A1303 PolarHBondContact O-N 3.5Å; I1301-Y1304 PolarHBondContact O-N 2.8Å; I1301-M1305 HydrophobicContact CG2-CB 4.33Å; I1301-M1305 HydrophobicContact CG2-CG 3.48Å; I1301-M1305 VanDerWaalsContact CG2-CG 3.48Å; I1301-M1305 PolarHBondContact O-N 2.94Å
1302H93.2Very high91.2Very high8 Ų850.4 Ų50.44%0.03726%0.261CS..Hα-helixtrans-52.3-41.6-179.5173.778.1000113.1S567 C1298 Y1304 M1305 C1306S567-H1302 PolarHBondContact OG-CE1 3.01Å; S567-H1302 PolarHBondContact OG-NE2 2.93Å; C1298-H1302 WeakPolarHBondContact O-CB 3.29Å; C1298-H1302 PolarHBondContact O-N 2.9Å; H1302-Y1304 PolarHBondContact O-N 3.14Å; H1302-Y1304 VanDerWaalsContact O-N 3.09Å; H1302-M1305 PolarHBondContact O-N 2.6Å; H1302-C1306 WeakPolarHBondContact O-CB 3.46Å; H1302-C1306 PolarHBondContact O-N 3.16Å
1303A91.9Very high91.4Very high0 Ų053 Ų530%027%0.27CS..Hα-helixtrans-54.8-30.217900000113.5I1085 R1087 I1301I1085-A1303 WeakPolarHBondContact O-CA 3.34Å; I1085-A1303 WeakPolarHBondContact O-CB 3.25Å; R1087-A1303 HydrophobicContact CG-CB 4.41Å; I1301-A1303 VanDerWaalsContact C-N 3.27Å; I1301-A1303 PolarHBondContact O-N 3.5Å
1304Y92.4Very high91.6Very high103 Ų10347.8 Ų47.840%0.40423%0.233SC..Hα-helixtrans-97.2-38.8177.4-57-81.6000112.2E1035 R1087 Y1088 I1301 H1302E1035-Y1304 PolarHBondContact OE1-OH 3.4Å; R1087-Y1304 VanDerWaalsContact NH2-CE2 3.31Å; R1087-Y1304 VanDerWaalsContact NH2-CZ 3.35Å; R1087-Y1304 PolarHBondContact NH2-OH 3.39Å; Y1088-Y1304 HydrophobicContact CD2-CD1 4.14Å; Y1088-Y1304 HydrophobicContact CD2-CE1 4.08Å; Y1088-Y1304 AromaticContact CE2-CD1 3.99Å; Y1088-Y1304 HydrophobicContact CE2-CD1 3.99Å; Y1088-Y1304 AromaticContact CE2-CE1 3.46Å; Y1088-Y1304 HydrophobicContact CE2-CE1 3.46Å; Y1088-Y1304 VanDerWaalsContact CE2-CE1 3.46Å; Y1088-Y1304 AromaticContact CE2-CZ 3.98Å; I1301-Y1304 PolarHBondContact O-N 2.8Å; H1302-Y1304 PolarHBondContact O-N 3.14Å; H1302-Y1304 VanDerWaalsContact O-N 3.09Å
1305M90.8Very high91.6Very high62 Ų6245.9 Ų45.931%0.30522%0.222SC..Hα-helixtrans-79.3-19.8-174.5-69.9-61.7-128.600114.7F1284 I1301 H1302 L1307 I1308 P1309F1284-M1305 HydrophobicContact CE1-CE 3.95Å; F1284-M1305 HydrophobicContact CZ-CE 3.9Å; I1301-M1305 HydrophobicContact CG2-CB 4.33Å; I1301-M1305 HydrophobicContact CG2-CG 3.48Å; I1301-M1305 VanDerWaalsContact CG2-CG 3.48Å; I1301-M1305 PolarHBondContact O-N 2.94Å; H1302-M1305 PolarHBondContact O-N 2.6Å; M1305-L1307 PolarHBondContact O-N 3.41Å; M1305-I1308 PolarHBondContact O-N 2.65Å; M1305-I1308 VanDerWaalsContact O-N 3.08Å; M1305-I1308 HydrophobicContact SD-CD1 3.75Å; M1305-P1309 WeakPolarHBondContact O-CD 3.11Å
1306C93.3Very high91.6Very high3 Ų343.7 Ų43.72%0.0222%0.218CC..THydrogen-bonded Turntrans-57.6-25.3-174.867.20000114.4H1302 I1308 P1309 I1310H1302-C1306 WeakPolarHBondContact O-CB 3.46Å; H1302-C1306 PolarHBondContact O-N 3.16Å; C1306-I1308 VanDerWaalsContact C-N 3.31Å; C1306-I1308 PolarHBondContact O-N 3.18Å; C1306-P1309 WeakPolarHBondContact O-CD 3.31Å; C1306-P1309 WeakPolarHBondContact O-CG 3.44Å; C1306-I1310 HydrophobicContact CB-CD1 4.48Å; C1306-I1310 VanDerWaalsContact O-CD1 3.25Å; C1306-I1310 WeakPolarHBondContact O-CD1 3.33Å; C1306-I1310 WeakPolarHBondContact O-CG1 3.25Å
1307L94.6Very high91.6Very high56 Ų5638.7 Ų38.729%0.29319%0.193SC..Hα-helixtrans-57.9-39.7175.7178.266.8000113.1F571 Y1092 M1305 I1310 V1311F571-L1307 HydrophobicContact CE2-CD1 4.14Å; Y1092-L1307 HydrophobicContact CD1-CD1 4.26Å; Y1092-L1307 HydrophobicContact CD1-CD2 4.21Å; Y1092-L1307 HydrophobicContact CD2-CB 3.91Å; Y1092-L1307 HydrophobicContact CD2-CD1 4.39Å; Y1092-L1307 HydrophobicContact CE1-CD2 4.24Å; Y1092-L1307 HydrophobicContact CE2-CB 3.96Å; Y1092-L1307 HydrophobicContact CG-CB 4.25Å; Y1092-L1307 HydrophobicContact CG-CD1 3.95Å; Y1092-L1307 HydrophobicContact CG-CG 4.49Å; M1305-L1307 PolarHBondContact O-N 3.41Å; L1307-I1310 PolarHBondContact O-N 2.91Å; L1307-V1311 HydrophobicContact CD1-CG2 3.57Å; L1307-V1311 HydrophobicContact CG-CG2 4.17Å; L1307-V1311 WeakPolarHBondContact O-CG2 3.27Å; L1307-V1311 PolarHBondContact O-N 3.08Å
1308I93.4Very high91.3Very high62 Ų6235.6 Ų35.632%0.31817%0.174SC..Hα-helixtrans-60.4-59.4-172.4-62172.8000111.5F1284 M1305 C1306 I1310 S1312F1284-I1308 HydrophobicContact CD1-CG2 4.36Å; F1284-I1308 HydrophobicContact CE1-CD1 4.16Å; M1305-I1308 PolarHBondContact O-N 2.65Å; M1305-I1308 VanDerWaalsContact O-N 3.08Å; M1305-I1308 HydrophobicContact SD-CD1 3.75Å; C1306-I1308 VanDerWaalsContact C-N 3.31Å; C1306-I1308 PolarHBondContact O-N 3.18Å; I1308-I1310 VanDerWaalsContact C-N 3.32Å; I1308-I1310 PolarHBondContact O-N 3.46Å; I1308-S1312 WeakPolarHBondContact O-CB 3.19Å; I1308-S1312 PolarHBondContact O-N 3.32Å; I1308-S1312 PolarHBondContact O-OG 3.39Å
1309P93Very high90.7Very high12 Ų1235.9 Ų35.98%0.07818%0.176CC..Hα-helixtrans-62.4-36177.919.7-29.9000113.3L564 L1282 S1285 M1305 C1306 S1312 Y1313L564-P1309 HydrophobicContact CD1-CB 4Å; L564-P1309 HydrophobicContact CD1-CG 3.43Å; L564-P1309 VanDerWaalsContact CD1-CG 3.43Å; L564-P1309 HydrophobicContact CD2-CB 3.78Å; L564-P1309 HydrophobicContact CD2-CG 3.81Å; L564-P1309 HydrophobicContact CG-CG 4.28Å; L1282-P1309 HydrophobicContact CD2-CB 4.49Å; S1285-P1309 WeakPolarHBondContact OG-CB 3.19Å; S1285-P1309 VanDerWaalsContact OG-CD 3.29Å; S1285-P1309 WeakPolarHBondContact OG-CD 3.28Å; M1305-P1309 WeakPolarHBondContact O-CD 3.11Å; C1306-P1309 WeakPolarHBondContact O-CD 3.31Å; C1306-P1309 WeakPolarHBondContact O-CG 3.44Å; P1309-S1312 PolarHBondContact O-N 2.9Å; P1309-Y1313 WeakPolarHBondContact O-CB 3.21Å; P1309-Y1313 PolarHBondContact O-N 3.03Å
1310I93.9Very high90.1Very high2 Ų239.3 Ų39.31%0.0119%0.191CC..Hα-helixtrans-62.5-52.8-179.3-68.6172.2000110.5W536 L564 S568 F571 C1306 L1307 I1308 S1312 Y1313 I1314W536-I1310 HydrophobicContact CH2-CG2 4.06Å; L564-I1310 HydrophobicContact CD1-CD1 4.41Å; L564-I1310 HydrophobicContact CD1-CG1 3.97Å; S568-I1310 WeakPolarHBondContact OG-CG1 3.39Å; F571-I1310 HydrophobicContact CB-CD1 4.17Å; F571-I1310 HydrophobicContact CB-CG2 4.24Å; F571-I1310 HydrophobicContact CD1-CG2 3.66Å; F571-I1310 HydrophobicContact CD2-CD1 4.46Å; F571-I1310 HydrophobicContact CD2-CG2 3.66Å; F571-I1310 HydrophobicContact CE1-CG2 3.77Å; F571-I1310 HydrophobicContact CE2-CG2 3.76Å; F571-I1310 HydrophobicContact CG-CD1 4.48Å; F571-I1310 HydrophobicContact CG-CG2 3.6Å; F571-I1310 HydrophobicContact CZ-CG2 3.79Å; C1306-I1310 HydrophobicContact CB-CD1 4.48Å; C1306-I1310 VanDerWaalsContact O-CD1 3.25Å; C1306-I1310 WeakPolarHBondContact O-CD1 3.33Å; C1306-I1310 WeakPolarHBondContact O-CG1 3.25Å; L1307-I1310 PolarHBondContact O-N 2.91Å; I1308-I1310 VanDerWaalsContact C-N 3.32Å; I1308-I1310 PolarHBondContact O-N 3.46Å; I1310-S1312 VanDerWaalsContact C-N 3.31Å; I1310-S1312 PolarHBondContact O-N 2.84Å; I1310-Y1313 PolarHBondContact O-N 3.12Å; I1310-I1314 HydrophobicContact CG2-CD1 4.11Å; I1310-I1314 WeakPolarHBondContact O-CD1 3.42Å; I1310-I1314 VanDerWaalsContact O-CG1 3.3Å; I1310-I1314 WeakPolarHBondContact O-CG1 3.32Å; I1310-I1314 PolarHBondContact O-N 3.29Å
1311V93.1Very high89.3Confident36 Ų3636 Ų3622%0.21818%0.179CC..Hα-helixtrans-65.1-38.2177173.90000110.8F1096 L1307 Y1313 I1314 L1315F1096-V1311 HydrophobicContact CD2-CG2 4.31Å; F1096-V1311 HydrophobicContact CE2-CG2 4.48Å; L1307-V1311 HydrophobicContact CD1-CG2 3.57Å; L1307-V1311 HydrophobicContact CG-CG2 4.17Å; L1307-V1311 WeakPolarHBondContact O-CG2 3.27Å; L1307-V1311 PolarHBondContact O-N 3.08Å; V1311-Y1313 PolarHBondContact O-N 2.95Å; V1311-I1314 PolarHBondContact O-N 3.39Å; V1311-L1315 HydrophobicContact CG1-CD1 4.26Å; V1311-L1315 HydrophobicContact CG1-CG 4.3Å; V1311-L1315 WeakPolarHBondContact O-CG 3.41Å; V1311-L1315 PolarHBondContact O-N 2.78Å
1312S93.2Very high88.5Confident9 Ų936.5 Ų36.56%0.06319%0.189CC..Hα-helixtrans-62.5-42.2179.2-600000112.9G1278 G1281 I1308 P1309 I1310 L1315 V1316G1278-S1312 WeakPolarHBondContact O-CB 3.41Å; G1281-S1312 WeakPolarHBondContact CA-OG 3.47Å; I1308-S1312 WeakPolarHBondContact O-CB 3.19Å; I1308-S1312 PolarHBondContact O-N 3.32Å; I1308-S1312 PolarHBondContact O-OG 3.39Å; P1309-S1312 PolarHBondContact O-N 2.9Å; I1310-S1312 VanDerWaalsContact C-N 3.31Å; I1310-S1312 PolarHBondContact O-N 2.84Å; S1312-L1315 PolarHBondContact O-N 3.44Å; S1312-V1316 WeakPolarHBondContact O-CG2 3.24Å; S1312-V1316 PolarHBondContact O-N 3.28Å; S1312-V1316 VanDerWaalsContact O-N 3.09Å
1313Y92Very high87.7Confident65 Ų6539.5 Ų39.526%0.25521%0.205SC..Hα-helixtrans-61.5-45172175.2-96.7000111.7W536 P1309 I1310 V1311 L1315 V1316 R1317W536-Y1313 AromaticContact CD2-CD1 3.81Å; W536-Y1313 HydrophobicContact CD2-CD1 3.81Å; W536-Y1313 AromaticContact CD2-CE1 3.4Å; W536-Y1313 HydrophobicContact CD2-CE1 3.4Å; W536-Y1313 VanDerWaalsContact CD2-CE1 3.4Å; W536-Y1313 AromaticContact CE2-CD1 3.48Å; W536-Y1313 VanDerWaalsContact CE2-CD1 3.48Å; W536-Y1313 AromaticContact CE2-CE1 3.47Å; W536-Y1313 VanDerWaalsContact CE2-CE1 3.47Å; W536-Y1313 AromaticContact CE3-CD1 3.94Å; W536-Y1313 HydrophobicContact CE3-CD1 3.94Å; W536-Y1313 AromaticContact CE3-CE1 3.7Å; W536-Y1313 HydrophobicContact CE3-CE1 3.7Å; W536-Y1313 AromaticContact CG-CE1 3.82Å; W536-Y1313 HydrophobicContact CG-CE1 3.82Å; W536-Y1313 AromaticContact CH2-CD1 3.56Å; W536-Y1313 HydrophobicContact CH2-CD1 3.56Å; W536-Y1313 HydrophobicContact CH2-CE1 4.18Å; W536-Y1313 HydrophobicContact CH2-CG 4.49Å; W536-Y1313 AromaticContact CZ2-CD1 3.39Å; W536-Y1313 HydrophobicContact CZ2-CD1 3.39Å; W536-Y1313 AromaticContact CZ2-CE1 3.91Å; W536-Y1313 HydrophobicContact CZ2-CE1 3.91Å; W536-Y1313 HydrophobicContact CZ2-CG 4.12Å; W536-Y1313 AromaticContact CZ3-CD1 3.81Å; W536-Y1313 HydrophobicContact CZ3-CD1 3.81Å; W536-Y1313 HydrophobicContact CZ3-CE1 4.06Å; W536-Y1313 AromaticContact NE1-CE1 3.81Å; P1309-Y1313 WeakPolarHBondContact O-CB 3.21Å; P1309-Y1313 PolarHBondContact O-N 3.03Å; I1310-Y1313 PolarHBondContact O-N 3.12Å; V1311-Y1313 PolarHBondContact O-N 2.95Å; Y1313-L1315 VanDerWaalsContact C-N 3.33Å; Y1313-L1315 PolarHBondContact O-N 2.84Å; Y1313-V1316 PolarHBondContact O-N 3.28Å; Y1313-R1317 HydrophobicContact CE1-CB 4.33Å; Y1313-R1317 HydrophobicContact CE1-CG 4.49Å; Y1313-R1317 WeakPolarHBondContact O-CB 3.49Å; Y1313-R1317 PolarHBondContact O-N 3.04Å
1314I90.5Very high87.1Confident5 Ų540.6 Ų40.63%0.02621%0.209CC..Hα-helixtrans-61.1-42.9179-65.8163.8000110.8W536 F571 F1096 I1310 V1311 N1318W536-I1314 HydrophobicContact CH2-CD1 3.97Å; W536-I1314 HydrophobicContact CH2-CG1 3.72Å; W536-I1314 HydrophobicContact CZ3-CD1 3.86Å; W536-I1314 HydrophobicContact CZ3-CG1 3.51Å; F571-I1314 HydrophobicContact CD1-CD1 4.48Å; F571-I1314 HydrophobicContact CE1-CD1 3.56Å; F571-I1314 HydrophobicContact CZ-CD1 3.94Å; F1096-I1314 HydrophobicContact CD1-CD1 4.45Å; F1096-I1314 HydrophobicContact CE1-CD1 4Å; F1096-I1314 HydrophobicContact CE1-CG2 4.02Å; F1096-I1314 HydrophobicContact CZ-CD1 4.28Å; F1096-I1314 HydrophobicContact CZ-CG2 3.71Å; I1310-I1314 HydrophobicContact CG2-CD1 4.11Å; I1310-I1314 WeakPolarHBondContact O-CD1 3.42Å; I1310-I1314 VanDerWaalsContact O-CG1 3.3Å; I1310-I1314 WeakPolarHBondContact O-CG1 3.32Å; I1310-I1314 PolarHBondContact O-N 3.29Å; V1311-I1314 PolarHBondContact O-N 3.39Å; I1314-N1318 WeakPolarHBondContact O-CB 3.18Å; I1314-N1318 PolarHBondContact O-N 3.38Å; I1314-N1318 PolarHBondContact O-ND2 3.25Å
1315L88.8Confident86.5Confident41 Ų4140.9 Ų40.922%0.21521%0.209CC..Hα-helixtrans-58-52.2174.6-71.9175.4000111.2L1274 L1277 V1311 S1312 Y1313 R1317 N1318 S1319L1274-L1315 HydrophobicContact CB-CD2 4.48Å; L1274-L1315 HydrophobicContact CD2-CD2 4.25Å; L1277-L1315 HydrophobicContact CD2-CD1 4.21Å; L1277-L1315 HydrophobicContact CG-CD1 4.37Å; V1311-L1315 HydrophobicContact CG1-CD1 4.26Å; V1311-L1315 HydrophobicContact CG1-CG 4.3Å; V1311-L1315 WeakPolarHBondContact O-CG 3.41Å; V1311-L1315 PolarHBondContact O-N 2.78Å; S1312-L1315 PolarHBondContact O-N 3.44Å; Y1313-L1315 VanDerWaalsContact C-N 3.33Å; Y1313-L1315 PolarHBondContact O-N 2.84Å; L1315-R1317 PolarHBondContact O-N 2.78Å; L1315-N1318 PolarHBondContact O-N 2.79Å; L1315-S1319 WeakPolarHBondContact O-CB 3.17Å; L1315-S1319 PolarHBondContact O-N 3.37Å; L1315-S1319 PolarHBondContact O-OG 3.43Å
1316V89.1Confident86.3Confident39 Ų3941.9 Ų41.924%0.23622%0.215CC..Hα-helixtrans-61.1-47.4179.9176.10000111.7I1279 L1282 S1312 Y1313 N1318I1279-V1316 HydrophobicContact CG1-CG2 4.28Å; L1282-V1316 HydrophobicContact CD1-CG2 4.18Å; S1312-V1316 WeakPolarHBondContact O-CG2 3.24Å; S1312-V1316 PolarHBondContact O-N 3.28Å; S1312-V1316 VanDerWaalsContact O-N 3.09Å; Y1313-V1316 PolarHBondContact O-N 3.28Å; V1316-N1318 VanDerWaalsContact C-N 3.33Å; V1316-N1318 PolarHBondContact O-N 3.15Å
1317R87.2Confident86.1Confident33 Ų3344 Ų4413%0.12522%0.223CC..Hα-helixtrans-67.5-28.6-176.4-167.174-179.585.2-3.7113.2I532 E535 Y1313 L1315 L1323 I1326I532-R1317 HydrophobicContact CG2-CG 4.26Å; E535-R1317 IonicContact OE1-CZ 3.81Å; E535-R1317 VanDerWaalsContact OE1-CZ 3.23Å; E535-R1317 IonicContact OE1-NE 3.18Å; E535-R1317 PolarHBondContact OE1-NE 3.21Å; E535-R1317 IonicContact OE1-NH2 3.8Å; E535-R1317 PolarHBondContact OE1-NH2 3.31Å; E535-R1317 IonicContact OE2-CZ 2.88Å; E535-R1317 IonicContact OE2-NH2 3.84Å; E535-R1317 PolarHBondContact OE2-NH2 3.44Å; Y1313-R1317 HydrophobicContact CE1-CB 4.33Å; Y1313-R1317 HydrophobicContact CE1-CG 4.49Å; Y1313-R1317 WeakPolarHBondContact O-CB 3.49Å; Y1313-R1317 PolarHBondContact O-N 3.04Å; L1315-R1317 PolarHBondContact O-N 2.78Å; R1317-L1323 PolarHBondContact NH1-O 2.94Å; R1317-L1323 WeakPolarHBondContact O-CB 3.37Å; R1317-I1326 PolarHBondContact NH1-O 3.03Å; R1317-I1326 PolarHBondContact NH2-O 3.11Å
1318N82.7Confident85.9Confident12 Ų1241.5 Ų41.56%0.06421%0.21CC..Hα-helixtrans-102.8-19.6-174-70.6-91.4000115.4V527 N528 I1314 L1315 V1316 F1320 R1324V527-N1318 HydrophobicContact CG1-CB 4.27Å; N528-N1318 PolarHBondContact N-OD1 2.79Å; I1314-N1318 WeakPolarHBondContact O-CB 3.18Å; I1314-N1318 PolarHBondContact O-N 3.38Å; I1314-N1318 PolarHBondContact O-ND2 3.25Å; L1315-N1318 PolarHBondContact O-N 2.79Å; V1316-N1318 VanDerWaalsContact C-N 3.33Å; V1316-N1318 PolarHBondContact O-N 3.15Å; N1318-F1320 PolarHBondContact O-N 3.22Å; N1318-R1324 HydrophobicContact CB-CG 4.33Å; N1318-R1324 WeakPolarHBondContact O-CD 3.29Å; N1318-R1324 WeakPolarHBondContact O-CG 3.45Å; N1318-R1324 PolarHBondContact O-NE 3.39Å
1319S80.3Confident85.7Confident15 Ų1543 Ų4311%0.10522%0.218CC..Hα-helixtrans-59.6-41.2-173.4-68.60000113.7L1274 T1275 L1315L1274-S1319 VanDerWaalsContact CB-OG 3.27Å; L1274-S1319 WeakPolarHBondContact CB-OG 3.25Å; T1275-S1319 VanDerWaalsContact CG2-CB 3.45Å; L1315-S1319 WeakPolarHBondContact O-CB 3.17Å; L1315-S1319 PolarHBondContact O-N 3.37Å; L1315-S1319 PolarHBondContact O-OG 3.43Å
1320F78.2Confident85.6Confident88 Ų8844.7 Ų44.739%0.38622%0.224SC..SBendtrans-93.2126.5177.6-67.2-67.8000111.5P1271 T1275 N1318 S1322 L1323 R1324P1271-F1320 HydrophobicContact CB-CD1 4.39Å; P1271-F1320 HydrophobicContact CB-CE1 4.33Å; T1275-F1320 HydrophobicContact CG2-CD2 3.98Å; T1275-F1320 HydrophobicContact CG2-CE2 3.6Å; T1275-F1320 HydrophobicContact CG2-CZ 4.36Å; N1318-F1320 PolarHBondContact O-N 3.22Å; F1320-S1322 PolarHBondContact O-N 3.35Å; F1320-L1323 HydrophobicContact CB-CB 4.41Å; F1320-L1323 HydrophobicContact CB-CD1 4.22Å; F1320-L1323 HydrophobicContact CB-CG 4.14Å; F1320-L1323 HydrophobicContact CD2-CD1 4.14Å; F1320-L1323 WeakPolarHBondContact O-CB 3.21Å; F1320-L1323 PolarHBondContact O-N 3.37Å; F1320-R1324 PolarHBondContact O-N 3.46Å; F1320-R1324 VanDerWaalsContact O-N 3.11Å
1321S72.2Confident85.6Confident36 Ų3645.1 Ų45.125%0.25223%0.226SC..Hα-helixtrans-61.2-24.4176.7-57.40000113.5R1324 R1325S1321-R1324 PolarHBondContact O-N 3.14Å; S1321-R1324 PolarHBondContact OG-NH2 3.02Å; S1321-R1325 WeakPolarHBondContact O-CG 3.33Å; S1321-R1325 PolarHBondContact O-N 2.98Å; S1321-R1325 VanDerWaalsContact O-N 3.14Å
1322S75.1Confident85.5Confident80 Ų8043.9 Ų43.956%0.55922%0.219SC*.Hα-helixtrans-66.8-38.5171.2-47.40000112.3F1320 R1325F1320-S1322 PolarHBondContact O-N 3.35Å; S1322-R1325 PolarHBondContact O-N 3.03Å
1323L76.2Confident85.3Confident71 Ų7147.8 Ų47.837%0.37223%0.233SC..Hα-helixtrans-70.4-38.9174.5-66.7178.3000111R1317 F1320 R1325 I1326R1317-L1323 PolarHBondContact NH1-O 2.94Å; R1317-L1323 WeakPolarHBondContact O-CB 3.37Å; F1320-L1323 HydrophobicContact CB-CB 4.41Å; F1320-L1323 HydrophobicContact CB-CD1 4.22Å; F1320-L1323 HydrophobicContact CB-CG 4.14Å; F1320-L1323 HydrophobicContact CD2-CD1 4.14Å; F1320-L1323 WeakPolarHBondContact O-CB 3.21Å; F1320-L1323 PolarHBondContact O-N 3.37Å; L1323-R1325 PolarHBondContact O-N 3.46Å; L1323-I1326 PolarHBondContact O-N 2.9Å; L1323-I1326 VanDerWaalsContact O-O 3.05Å
1324R80Confident85.3Confident23 Ų2345.4 Ų45.49%0.08722%0.224CC..Hα-helixtrans-63.5-25.8174.7-72.1-170-74.8157-6.2113.8T522 S525 H529 N1318 F1320 S1321T522-R1324 WeakPolarHBondContact CG2-O 3.43Å; S525-R1324 PolarHBondContact O-NH1 3.47Å; H529-R1324 PolarHBondContact CE1-O 2.91Å; N1318-R1324 HydrophobicContact CB-CG 4.33Å; N1318-R1324 WeakPolarHBondContact O-CD 3.29Å; N1318-R1324 WeakPolarHBondContact O-CG 3.45Å; N1318-R1324 PolarHBondContact O-NE 3.39Å; F1320-R1324 PolarHBondContact O-N 3.46Å; F1320-R1324 VanDerWaalsContact O-N 3.11Å; S1321-R1324 PolarHBondContact O-N 3.14Å; S1321-R1324 PolarHBondContact OG-NH2 3.02Å
1325R79.6Confident85.3Confident108 Ų10845.4 Ų45.441%0.40823%0.225SC..THydrogen-bonded Turntrans-89.2-3.2-179.4-78.8-170.9-79-141.6-7.5115.4P521 T522 D1114 S1321 S1322 L1323P521-R1325 CarbonylContact C-O 3.51Å; P521-R1325 WeakPolarHBondContact CA-O 3.33Å; T522-R1325 PolarHBondContact N-O 2.91Å; D1114-R1325 IonicContact OD2-CZ 2.91Å; D1114-R1325 IonicContact OD2-NH1 3.23Å; D1114-R1325 PolarHBondContact OD2-NH1 3.43Å; D1114-R1325 IonicContact OD2-NH2 3.2Å; D1114-R1325 PolarHBondContact OD2-NH2 3.21Å; S1321-R1325 WeakPolarHBondContact O-CG 3.33Å; S1321-R1325 PolarHBondContact O-N 2.98Å; S1321-R1325 VanDerWaalsContact O-N 3.14Å; S1322-R1325 PolarHBondContact O-N 3.03Å; L1323-R1325 PolarHBondContact O-N 3.46Å
1326I85.5Confident85.4Confident84 Ų8445.4 Ų45.443%0.43123%0.225SC..EExtended strand (participates in β ladder)trans-129.5130.5-177.2-55.6176.7000109.9G520 R1317 L1323G520-I1326 WeakPolarHBondContact O-CA 3.17Å; R1317-I1326 PolarHBondContact NH1-O 3.03Å; R1317-I1326 PolarHBondContact NH2-O 3.11Å; L1323-I1326 PolarHBondContact O-N 2.9Å; L1323-I1326 VanDerWaalsContact O-O 3.05Å
1327Y90.4Very high85.4Confident47 Ų4743.7 Ų43.718%0.18422%0.215CC..EExtended strand (participates in β ladder)trans-136.6154.2177.679.3-73.2000112.1S519 G520 T522 D531 E535 I1329 A1332S519-Y1327 CarbonylContact C-O 3.56Å; S519-Y1327 WeakPolarHBondContact CA-O 3.43Å; G520-Y1327 PolarHBondContact N-O 3.44Å; G520-Y1327 WeakPolarHBondContact O-CD1 3.44Å; G520-Y1327 PolarHBondContact O-N 3.03Å; T522-Y1327 HydrophobicContact CG2-CD1 4.14Å; D531-Y1327 HydrophobicContact CB-CD2 4.09Å; D531-Y1327 HydrophobicContact CB-CE2 4.17Å; D531-Y1327 HydrophobicContact CB-CG 4.32Å; E535-Y1327 WeakPolarHBondContact OE2-CA 3.39Å; Y1327-I1329 HydrophobicContact CE2-CG1 4.2Å; Y1327-I1329 PolarHBondContact O-N 3.43Å; Y1327-A1332 HydrophobicContact CD2-CB 3.84Å; Y1327-A1332 HydrophobicContact CE2-CB 3.74Å
1328S90.7Very high85.7Confident4 Ų442.4 Ų42.43%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-79114.1174.4-1760000110.9G515 E535 F1330 F1331 A1332G515-S1328 WeakPolarHBondContact CA-OG 3.49Å; G515-S1328 WeakPolarHBondContact O-CB 3.27Å; G515-S1328 PolarHBondContact O-OG 3.3Å; E535-S1328 PolarHBondContact OE2-N 2.87Å; S1328-F1330 VanDerWaalsContact C-N 3.3Å; S1328-F1330 PolarHBondContact O-N 3.33Å; S1328-F1331 PolarHBondContact O-N 3.03Å; S1328-F1331 PolarHBondContact OG-N 3.24Å; S1328-A1332 VanDerWaalsContact O-CB 3.27Å; S1328-A1332 WeakPolarHBondContact O-CB 3.3Å; S1328-A1332 PolarHBondContact O-N 2.81Å
1329I89.3Confident86.1Confident92 Ų9242.2 Ų42.247%0.47221%0.21SC..Hα-helixtrans-63.9-40.1175.9-59.7171.6000109.9F518 Y1327 A1332 W1333F518-I1329 PolarHBondContact O-N 3.41Å; Y1327-I1329 HydrophobicContact CE2-CG1 4.2Å; Y1327-I1329 PolarHBondContact O-N 3.43Å; I1329-A1332 PolarHBondContact O-N 2.98Å; I1329-W1333 WeakPolarHBondContact O-CB 3.43Å; I1329-W1333 PolarHBondContact O-N 3.36Å
1330F89.5Confident86.7Confident49 Ų4941.6 Ų41.622%0.21521%0.205CC..Hα-helixtrans-61.4-49.8178.5173.5-111.2000111.9L514 F518 L542 S1328 W1333 I1334L514-F1330 HydrophobicContact CB-CD1 4.48Å; L514-F1330 HydrophobicContact CB-CE1 4.27Å; F518-F1330 HydrophobicContact CB-CB 3.71Å; F518-F1330 HydrophobicContact CD2-CB 4.29Å; F518-F1330 HydrophobicContact CG-CB 4.31Å; L542-F1330 HydrophobicContact CD1-CE1 4.35Å; S1328-F1330 VanDerWaalsContact C-N 3.3Å; S1328-F1330 PolarHBondContact O-N 3.33Å; F1330-W1333 PolarHBondContact O-N 3.17Å; F1330-I1334 HydrophobicContact CD1-CD1 4.35Å; F1330-I1334 HydrophobicContact CD2-CD1 4.39Å; F1330-I1334 HydrophobicContact CE1-CD1 3.81Å; F1330-I1334 HydrophobicContact CE2-CD1 3.84Å; F1330-I1334 HydrophobicContact CZ-CD1 3.53Å; F1330-I1334 WeakPolarHBondContact O-CG1 3.22Å; F1330-I1334 PolarHBondContact O-N 2.93Å
1331F93.5Very high87.5Confident11 Ų1137.7 Ų37.75%0.04819%0.188CC..Hα-helixtrans-68.9-38.3176.2-63.8-33.6000112.2C511 E535 G538 W539 S1328 W1333 I1334 G1335C511-F1331 WeakPolarHBondContact O-CE1 3.48Å; C511-F1331 VanDerWaalsContact O-CZ 3.32Å; C511-F1331 WeakPolarHBondContact O-CZ 3.49Å; E535-F1331 HydrophobicContact CB-CB 4.44Å; E535-F1331 HydrophobicContact CG-CB 4.16Å; E535-F1331 HydrophobicContact CG-CD2 4.28Å; E535-F1331 WeakPolarHBondContact O-CB 3.11Å; G538-F1331 VanDerWaalsContact CA-O 3.32Å; G538-F1331 WeakPolarHBondContact CA-O 3.38Å; W539-F1331 HydrophobicContact CB-CD2 4.3Å; W539-F1331 HydrophobicContact CB-CE2 4.4Å; W539-F1331 HydrophobicContact CB-CG 4.49Å; W539-F1331 HydrophobicContact CD2-CZ 4.33Å; W539-F1331 AromaticContact CE3-CE1 3.83Å; W539-F1331 HydrophobicContact CE3-CE1 3.83Å; W539-F1331 HydrophobicContact CE3-CE2 4.01Å; W539-F1331 AromaticContact CE3-CZ 3.42Å; W539-F1331 HydrophobicContact CE3-CZ 3.42Å; W539-F1331 VanDerWaalsContact CE3-CZ 3.42Å; W539-F1331 HydrophobicContact CZ3-CE1 4.44Å; W539-F1331 AromaticContact CZ3-CZ 3.96Å; W539-F1331 HydrophobicContact CZ3-CZ 3.96Å; S1328-F1331 PolarHBondContact O-N 3.03Å; S1328-F1331 PolarHBondContact OG-N 3.24Å; F1331-W1333 VanDerWaalsContact C-N 3.26Å; F1331-W1333 PolarHBondContact O-N 3.47Å; F1331-I1334 PolarHBondContact O-N 2.98Å; F1331-G1335 PolarHBondContact O-N 2.9Å
1332A91Very high88.5Confident9 Ų936.2 Ų36.27%0.07418%0.177CC..Hα-helixtrans-61.6-35.4177.700000112.9R534 Y1327 S1328 I1329 G1335 D1336R534-A1332 HydrophobicContact CB-CB 3.93Å; Y1327-A1332 HydrophobicContact CD2-CB 3.84Å; Y1327-A1332 HydrophobicContact CE2-CB 3.74Å; S1328-A1332 VanDerWaalsContact O-CB 3.27Å; S1328-A1332 WeakPolarHBondContact O-CB 3.3Å; S1328-A1332 PolarHBondContact O-N 2.81Å; I1329-A1332 PolarHBondContact O-N 2.98Å; A1332-G1335 PolarHBondContact O-N 3.12Å; A1332-D1336 PolarHBondContact O-N 2.99Å
1333W89.5Confident89.3Confident92 Ų9232.4 Ų32.435%0.34815%0.151SC..Hα-helixtrans-68.2-44.9174177.475.2000112.7F16 I1329 F1330 F1331 G1335 D1336 M1337 I1377 H1381F16-W1333 HydrophobicContact CD2-CZ2 4.31Å; F16-W1333 AromaticContact CE2-CH2 3.95Å; F16-W1333 HydrophobicContact CE2-CH2 3.95Å; F16-W1333 AromaticContact CE2-CZ2 3.58Å; F16-W1333 HydrophobicContact CE2-CZ2 3.58Å; F16-W1333 HydrophobicContact CZ-CH2 4.47Å; F16-W1333 HydrophobicContact CZ-CZ2 4.03Å; I1329-W1333 WeakPolarHBondContact O-CB 3.43Å; I1329-W1333 PolarHBondContact O-N 3.36Å; F1330-W1333 PolarHBondContact O-N 3.17Å; F1331-W1333 VanDerWaalsContact C-N 3.26Å; F1331-W1333 PolarHBondContact O-N 3.47Å; W1333-G1335 PolarHBondContact O-N 3.43Å; W1333-D1336 PolarHBondContact O-N 3.44Å; W1333-M1337 HydrophobicContact CD2-CE 3.95Å; W1333-M1337 VanDerWaalsContact CE2-CE 3.48Å; W1333-M1337 HydrophobicContact CE3-CE 4.47Å; W1333-M1337 HydrophobicContact CG-CE 4.46Å; W1333-M1337 HydrophobicContact CH2-CE 4.23Å; W1333-M1337 HydrophobicContact CZ2-CE 3.67Å; W1333-I1377 HydrophobicContact CH2-CG2 3.59Å; W1333-I1377 HydrophobicContact CZ3-CG2 4.17Å; W1333-H1381 AromaticContact CZ2-CD2 3.81Å; W1333-H1381 AromaticContact NE1-CD2 3.92Å
1334I92.4Very high90.2Very high15 Ų1529.1 Ų29.18%0.07713%0.134CC..Hα-helixtrans-59.8-37.2171.9-68.8179.6000110.9Q541 L542 F1330 F1331 D1336 M1337 S1338 L1341Q541-I1334 HydrophobicContact CB-CG2 4.27Å; Q541-I1334 HydrophobicContact CG-CG2 4.44Å; L542-I1334 HydrophobicContact CD1-CD1 3.99Å; F1330-I1334 HydrophobicContact CD1-CD1 4.35Å; F1330-I1334 HydrophobicContact CD2-CD1 4.39Å; F1330-I1334 HydrophobicContact CE1-CD1 3.81Å; F1330-I1334 HydrophobicContact CE2-CD1 3.84Å; F1330-I1334 HydrophobicContact CZ-CD1 3.53Å; F1330-I1334 WeakPolarHBondContact O-CG1 3.22Å; F1330-I1334 PolarHBondContact O-N 2.93Å; F1331-I1334 PolarHBondContact O-N 2.98Å; I1334-D1336 PolarHBondContact O-N 3.24Å; I1334-M1337 CarbonylContact O-C 3.51Å; I1334-M1337 PolarHBondContact O-N 3.42Å; I1334-S1338 PolarHBondContact O-N 3.33Å; I1334-L1341 HydrophobicContact CB-CD1 4.5Å; I1334-L1341 HydrophobicContact CG2-CD1 3.66Å
1335G90.9Very high90.9Very high4 Ų428 Ų284%0.04113%0.129CC..Hα-helixtrans-67.1-26-179.100000115.3R534 F1331 A1332 W1333 S1338R534-G1335 WeakPolarHBondContact O-CA 3.45Å; F1331-G1335 PolarHBondContact O-N 2.9Å; A1332-G1335 PolarHBondContact O-N 3.12Å; W1333-G1335 PolarHBondContact O-N 3.43Å; G1335-S1338 PolarHBondContact O-OG 3.15Å
1336D90.1Very high91.4Very high41 Ų4124.1 Ų24.122%0.21912%0.115CC..Hα-helixtrans-76.8-29.1178.1-152.259.2000112.5R534 A1332 W1333 I1334 H1384 R1388R534-D1336 IonicContact CZ-OD1 3.65Å; R534-D1336 IonicContact NE-OD1 2.7Å; R534-D1336 PolarHBondContact NE-OD1 3.15Å; R534-D1336 IonicContact NH2-OD1 2.97Å; R534-D1336 PolarHBondContact NH2-OD1 3.21Å; R534-D1336 IonicContact NH2-OD2 2.77Å; A1332-D1336 PolarHBondContact O-N 2.99Å; W1333-D1336 PolarHBondContact O-N 3.44Å; I1334-D1336 PolarHBondContact O-N 3.24Å; D1336-H1384 PolarHBondContact O-CE1 3.06Å; D1336-H1384 IonicContact OD2-CE1 3.59Å; D1336-H1384 IonicContact OD2-NE2 3.17Å; D1336-H1384 PolarHBondContact OD2-NE2 2.95Å; D1336-R1388 IonicContact OD1-NH2 3.59Å; D1336-R1388 IonicContact OD2-CZ 3.5Å; D1336-R1388 IonicContact OD2-NH1 2.7Å; D1336-R1388 PolarHBondContact OD2-NH1 3.25Å; D1336-R1388 VanDerWaalsContact OD2-NH1 3.07Å; D1336-R1388 IonicContact OD2-NH2 3.43Å; D1336-R1388 PolarHBondContact OD2-NH2 2.92Å
1337M90.3Very high91.7Very high4 Ų420.4 Ų20.42%0.0210%0.096CC..THydrogen-bonded Turntrans-105.220.7177.169.217877.600113.4W1333 I1334 L1339 E1340 L1341 H1381 H1384W1333-M1337 HydrophobicContact CD2-CE 3.95Å; W1333-M1337 VanDerWaalsContact CE2-CE 3.48Å; W1333-M1337 HydrophobicContact CE3-CE 4.47Å; W1333-M1337 HydrophobicContact CG-CE 4.46Å; W1333-M1337 HydrophobicContact CH2-CE 4.23Å; W1333-M1337 HydrophobicContact CZ2-CE 3.67Å; I1334-M1337 CarbonylContact O-C 3.51Å; I1334-M1337 PolarHBondContact O-N 3.42Å; M1337-L1339 VanDerWaalsContact C-N 3.26Å; M1337-L1339 PolarHBondContact O-N 3.34Å; M1337-E1340 WeakPolarHBondContact CA-OE2 3.41Å; M1337-E1340 PolarHBondContact O-N 3.45Å; M1337-L1341 HydrophobicContact CG-CD1 3.73Å; M1337-L1341 HydrophobicContact CG-CG 4.07Å; M1337-L1341 PolarHBondContact O-N 3.18Å; M1337-L1341 VanDerWaalsContact O-N 3.13Å; M1337-L1341 HydrophobicContact SD-CD1 4.25Å; M1337-L1341 HydrophobicContact SD-CG 4.39Å; M1337-H1381 HydrophobicContact CE-CB 4.15Å; M1337-H1381 HydrophobicContact SD-CB 4.44Å; M1337-H1384 HydrophobicContact CB-CB 4.4Å
1338S92.5Very high91.7Very high5 Ų518.1 Ų18.14%0.0359%0.087CC..Hα-helixtrans-61.2-34.9-170.761.80000113.1Q541 I1334 G1335 F1342Q541-S1338 PolarHBondContact NE2-O 3.18Å; Q541-S1338 PolarHBondContact OE1-O 3.43Å; I1334-S1338 PolarHBondContact O-N 3.33Å; G1335-S1338 PolarHBondContact O-OG 3.15Å; S1338-F1342 WeakPolarHBondContact O-CB 3.36Å; S1338-F1342 PolarHBondContact O-N 3.39Å
1339L90.3Very high91.6Very high9 Ų919.2 Ų19.25%0.0479%0.09CC..Hα-helixtrans-66-44.9-180-172.1128.5000111.7F657 I678 M1337 F1342 I1343F657-L1339 HydrophobicContact CB-CD1 4.31Å; F657-L1339 HydrophobicContact CD1-CD1 3.78Å; F657-L1339 HydrophobicContact CG-CD1 4.39Å; I678-L1339 HydrophobicContact CD1-CD1 3.47Å; I678-L1339 VanDerWaalsContact CD1-CD1 3.47Å; I678-L1339 HydrophobicContact CD1-CD2 4.32Å; I678-L1339 HydrophobicContact CD1-CG 3.71Å; M1337-L1339 VanDerWaalsContact C-N 3.26Å; M1337-L1339 PolarHBondContact O-N 3.34Å; L1339-F1342 PolarHBondContact O-N 3.21Å; L1339-I1343 HydrophobicContact CD2-CD1 3.84Å; L1339-I1343 HydrophobicContact CG-CD1 4.1Å; L1339-I1343 WeakPolarHBondContact O-CD1 3.43Å; L1339-I1343 WeakPolarHBondContact O-CG1 3.45Å; L1339-I1343 PolarHBondContact O-N 2.97Å
1340E94.3Very high91.7Very high1 Ų114.9 Ų14.91%0.0057%0.068CC..Hα-helixtrans-63.1-46.6176.8-64.688.7151.800111.4R656 M1337 F1342 I1343 A1344 C1380 V1383 H1384R656-E1340 IonicContact CZ-OE1 3.75Å; R656-E1340 IonicContact CZ-OE2 3.16Å; R656-E1340 IonicContact NH1-OE1 3.3Å; R656-E1340 PolarHBondContact NH1-OE1 3.21Å; R656-E1340 VanDerWaalsContact NH2-CD 3.3Å; R656-E1340 IonicContact NH2-OE1 2.95Å; R656-E1340 PolarHBondContact NH2-OE1 3.42Å; R656-E1340 IonicContact NH2-OE2 3.26Å; R656-E1340 PolarHBondContact NH2-OE2 3.44Å; M1337-E1340 WeakPolarHBondContact CA-OE2 3.41Å; M1337-E1340 PolarHBondContact O-N 3.45Å; E1340-F1342 VanDerWaalsContact C-N 3.32Å; E1340-F1342 PolarHBondContact O-N 2.97Å; E1340-I1343 PolarHBondContact O-N 3.33Å; E1340-A1344 VanDerWaalsContact O-CB 3.26Å; E1340-A1344 WeakPolarHBondContact O-CB 3.4Å; E1340-A1344 PolarHBondContact O-N 2.95Å; E1340-C1380 HydrophobicContact CB-CB 4.17Å; E1340-V1383 HydrophobicContact CG-CB 4.32Å; E1340-V1383 HydrophobicContact CG-CG1 3.92Å; E1340-H1384 HydrophobicContact CG-CB 4.28Å; E1340-H1384 WeakPolarHBondContact OE1-CA 3.39Å; E1340-H1384 VanDerWaalsContact OE1-CB 3.3Å; E1340-H1384 WeakPolarHBondContact OE1-CB 3.37Å; E1340-H1384 IonicContact OE1-CG 2.74Å; E1340-H1384 IonicContact OE1-ND1 3.2Å; E1340-H1384 PolarHBondContact OE1-ND1 2.93Å; E1340-H1384 IonicContact OE2-ND1 3.37Å
1341L94.5Very high91.6Very high6 Ų612.5 Ų12.53%0.0316%0.058CC..Hα-helixtrans-59.9-40.8174.9-69.6168.8000111.8Q541 L545 I1334 M1337 I1343 Q1345 F1376 C1380Q541-L1341 HydrophobicContact CG-CB 3.96Å; Q541-L1341 HydrophobicContact CG-CD1 4.13Å; L545-L1341 HydrophobicContact CD1-CB 4.43Å; I1334-L1341 HydrophobicContact CB-CD1 4.5Å; I1334-L1341 HydrophobicContact CG2-CD1 3.66Å; M1337-L1341 HydrophobicContact CG-CD1 3.73Å; M1337-L1341 HydrophobicContact CG-CG 4.07Å; M1337-L1341 PolarHBondContact O-N 3.18Å; M1337-L1341 VanDerWaalsContact O-N 3.13Å; M1337-L1341 HydrophobicContact SD-CD1 4.25Å; M1337-L1341 HydrophobicContact SD-CG 4.39Å; L1341-I1343 VanDerWaalsContact C-N 3.32Å; L1341-I1343 PolarHBondContact O-N 3.33Å; L1341-Q1345 PolarHBondContact O-N 2.98Å; L1341-F1376 HydrophobicContact CB-CZ 4.19Å; L1341-F1376 HydrophobicContact CD2-CD1 4.39Å; L1341-F1376 HydrophobicContact CD2-CE1 3.62Å; L1341-F1376 HydrophobicContact CD2-CE2 4.15Å; L1341-F1376 HydrophobicContact CD2-CZ 3.48Å; L1341-F1376 VanDerWaalsContact CD2-CZ 3.48Å; L1341-F1376 HydrophobicContact CG-CZ 4.45Å; L1341-C1380 HydrophobicContact CD2-CB 3.87Å; L1341-C1380 HydrophobicContact CG-CB 4.27Å
1342F93Very high91Very high5 Ų512.4 Ų12.42%0.0226%0.059CC..Hα-helixtrans-65.4-34.6-179.6-174-96.9000113Q541 L544 F677 S1338 L1339 E1340 Q1345 Y1346Q541-F1342 VanDerWaalsContact NE2-CB 3.3Å; Q541-F1342 VanDerWaalsContact NE2-N 3.16Å; L544-F1342 HydrophobicContact CD1-CD2 4.35Å; L544-F1342 HydrophobicContact CD1-CE2 4.22Å; F677-F1342 HydrophobicContact CB-CD1 4.39Å; F677-F1342 HydrophobicContact CB-CE1 3.66Å; F677-F1342 HydrophobicContact CB-CZ 4.1Å; F677-F1342 AromaticContact CD1-CD1 3.74Å; F677-F1342 HydrophobicContact CD1-CD1 3.74Å; F677-F1342 AromaticContact CD1-CE1 3.77Å; F677-F1342 HydrophobicContact CD1-CE1 3.77Å; F677-F1342 HydrophobicContact CD1-CG 4.21Å; F677-F1342 HydrophobicContact CD1-CZ 4.25Å; F677-F1342 HydrophobicContact CE1-CD1 4.46Å; F677-F1342 HydrophobicContact CG-CD1 4.43Å; F677-F1342 HydrophobicContact CG-CE1 4Å; F677-F1342 HydrophobicContact CG-CZ 4.29Å; S1338-F1342 WeakPolarHBondContact O-CB 3.36Å; S1338-F1342 PolarHBondContact O-N 3.39Å; L1339-F1342 PolarHBondContact O-N 3.21Å; E1340-F1342 VanDerWaalsContact C-N 3.32Å; E1340-F1342 PolarHBondContact O-N 2.97Å; F1342-Q1345 WeakPolarHBondContact O-CG 3.48Å; F1342-Q1345 PolarHBondContact O-NE2 2.95Å; F1342-Y1346 HydrophobicContact CE1-CE2 4.12Å; F1342-Y1346 HydrophobicContact CZ-CE2 4.48Å; F1342-Y1346 VanDerWaalsContact CZ-OH 3.26Å; F1342-Y1346 WeakPolarHBondContact CZ-OH 3.49Å; F1342-Y1346 WeakPolarHBondContact O-CE2 3.28Å
1343I92.7Very high90.5Very high1 Ų114.2 Ų14.21%0.0057%0.067CC..Hα-helixtrans-87.8-50-177.5-58.3157.2000110.3F660 V661 L664 Y675 I678 L1339 E1340 L1341 Q1345 Y1346F660-I1343 HydrophobicContact CD1-CB 4.18Å; F660-I1343 HydrophobicContact CD1-CD1 3.7Å; F660-I1343 HydrophobicContact CD1-CG2 4.32Å; F660-I1343 HydrophobicContact CE1-CB 3.82Å; F660-I1343 HydrophobicContact CE1-CD1 4.23Å; F660-I1343 HydrophobicContact CE1-CG2 3.97Å; F660-I1343 HydrophobicContact CZ-CG2 4.5Å; V661-I1343 HydrophobicContact CG2-CD1 3.59Å; V661-I1343 HydrophobicContact CG2-CG1 4.35Å; L664-I1343 HydrophobicContact CD1-CG2 3.19Å; Y675-I1343 HydrophobicContact CD1-CG2 3.94Å; Y675-I1343 HydrophobicContact CE1-CG2 4.1Å; I678-I1343 HydrophobicContact CD1-CD1 3.87Å; I678-I1343 HydrophobicContact CD1-CG1 4.31Å; I678-I1343 HydrophobicContact CG1-CD1 4.09Å; I678-I1343 HydrophobicContact CG1-CG1 4.29Å; L1339-I1343 HydrophobicContact CD2-CD1 3.84Å; L1339-I1343 HydrophobicContact CG-CD1 4.1Å; L1339-I1343 WeakPolarHBondContact O-CD1 3.43Å; L1339-I1343 WeakPolarHBondContact O-CG1 3.45Å; L1339-I1343 PolarHBondContact O-N 2.97Å; E1340-I1343 PolarHBondContact O-N 3.33Å; L1341-I1343 VanDerWaalsContact C-N 3.32Å; L1341-I1343 PolarHBondContact O-N 3.33Å; I1343-Q1345 PolarHBondContact O-N 2.67Å; I1343-Y1346 WeakPolarHBondContact O-CB 3.49Å; I1343-Y1346 WeakPolarHBondContact O-CD2 3.48Å; I1343-Y1346 PolarHBondContact O-N 2.96Å; I1343-Y1346 VanDerWaalsContact O-N 3.15Å
1344A94.2Very high90.3Very high1 Ų110.8 Ų10.81%0.0086%0.059CC..Hα-helixtrans-68-18.4-173.400000114F483 F660 E1340 Y1346 H1347 I1348 F1376F483-A1344 HydrophobicContact CZ-CB 4.27Å; F660-A1344 HydrophobicContact CE1-CB 4.4Å; F660-A1344 HydrophobicContact CZ-CB 4.21Å; E1340-A1344 VanDerWaalsContact O-CB 3.26Å; E1340-A1344 WeakPolarHBondContact O-CB 3.4Å; E1340-A1344 PolarHBondContact O-N 2.95Å; A1344-Y1346 PolarHBondContact O-N 3.05Å; A1344-Y1346 VanDerWaalsContact O-N 3.15Å; A1344-H1347 PolarHBondContact O-N 2.99Å; A1344-I1348 HydrophobicContact CB-CD1 4.34Å; A1344-I1348 PolarHBondContact O-N 3.26Å; A1344-F1376 HydrophobicContact CB-CD2 4.33Å; A1344-F1376 HydrophobicContact CB-CE2 4.03Å
1345Q94.4Very high90Very high0 Ų015.2 Ų15.20%08%0.075CC..Hα-helixtrans-55.4-31.9172.772.6-176.4-40.900111.7L545 L1341 F1342 I1343 H1347 W1349 L1350 F1376L545-Q1345 HydrophobicContact CD1-CB 4.47Å; L1341-Q1345 PolarHBondContact O-N 2.98Å; F1342-Q1345 WeakPolarHBondContact O-CG 3.48Å; F1342-Q1345 PolarHBondContact O-NE2 2.95Å; I1343-Q1345 PolarHBondContact O-N 2.67Å; Q1345-H1347 PolarHBondContact O-N 3.26Å; Q1345-W1349 PolarHBondContact O-N 2.94Å; Q1345-L1350 WeakPolarHBondContact O-CB 3.26Å; Q1345-L1350 WeakPolarHBondContact O-CG 3.49Å; Q1345-L1350 PolarHBondContact O-N 2.94Å; Q1345-F1376 HydrophobicContact CB-CE2 4.23Å; Q1345-F1376 HydrophobicContact CB-CZ 4.19Å
1346Y91.4Very high89.8Confident27 Ų2715 Ų1511%0.1067%0.073CC..Hα-helixtrans-71.4-14.3-174.9-62.3-47.4000114.2H548 Y675 F1342 I1343 A1344 L1350 A1354H548-Y1346 PolarHBondContact NE2-OH 3.42Å; Y675-Y1346 HydrophobicContact CD1-CD2 4.47Å; F1342-Y1346 HydrophobicContact CE1-CE2 4.12Å; F1342-Y1346 HydrophobicContact CZ-CE2 4.48Å; F1342-Y1346 VanDerWaalsContact CZ-OH 3.26Å; F1342-Y1346 WeakPolarHBondContact CZ-OH 3.49Å; F1342-Y1346 WeakPolarHBondContact O-CE2 3.28Å; I1343-Y1346 WeakPolarHBondContact O-CB 3.49Å; I1343-Y1346 WeakPolarHBondContact O-CD2 3.48Å; I1343-Y1346 PolarHBondContact O-N 2.96Å; I1343-Y1346 VanDerWaalsContact O-N 3.15Å; A1344-Y1346 PolarHBondContact O-N 3.05Å; A1344-Y1346 VanDerWaalsContact O-N 3.15Å; Y1346-L1350 CarbonylContact C-O 3.55Å; Y1346-L1350 HydrophobicContact CD1-CD1 4.1Å; Y1346-L1350 CarbonylContact O-C 3.59Å; Y1346-A1354 HydrophobicContact CD1-CB 3.44Å; Y1346-A1354 VanDerWaalsContact CD1-CB 3.44Å; Y1346-A1354 HydrophobicContact CE1-CB 4.15Å; Y1346-A1354 HydrophobicContact CG-CB 4.16Å
1347H91.3Very high89.8Confident5 Ų514.4 Ų14.42%0.0237%0.069CC..Hα-helixtrans-127.6-7.3-175-43.4-67.3000115F483 C486 D487 Y675 A1344 Q1345 L1350F483-H1347 HydrophobicContact CB-CB 3.91Å; F483-H1347 HydrophobicContact CD1-CB 4.44Å; F483-H1347 HydrophobicContact CG-CB 4.11Å; C486-H1347 WeakPolarHBondContact CB-O 3.42Å; D487-H1347 HydrophobicContact CB-CB 4.31Å; D487-H1347 IonicContact OD2-CE1 3.42Å; D487-H1347 IonicContact OD2-CG 3.29Å; D487-H1347 IonicContact OD2-ND1 2.69Å; D487-H1347 PolarHBondContact OD2-ND1 3.32Å; Y675-H1347 AromaticContact CE1-NE2 3.6Å; Y675-H1347 AromaticContact CZ-NE2 3.93Å; Y675-H1347 PolarHBondContact OH-CE1 3.08Å; Y675-H1347 PolarHBondContact OH-NE2 3.32Å; A1344-H1347 PolarHBondContact O-N 2.99Å; Q1345-H1347 PolarHBondContact O-N 3.26Å; H1347-L1350 CarbonylContact C-O 3.55Å; H1347-L1350 VanDerWaalsContact CA-O 3.3Å; H1347-L1350 WeakPolarHBondContact CA-O 3.34Å; H1347-L1350 PolarHBondContact N-O 2.83Å
1348I90Very high89.8Confident0 Ų014.2 Ų14.20%07%0.069CC..Hα-helixtrans-120.2-46.3179.4-45.5179.1000112.6Y482 F483 A1344 L1350 L1358 F1376 I1379Y482-I1348 HydrophobicContact CE1-CG2 4.37Å; F483-I1348 HydrophobicContact CD1-CD1 4.1Å; F483-I1348 HydrophobicContact CD1-CG1 3.82Å; F483-I1348 HydrophobicContact CE1-CD1 3.28Å; F483-I1348 HydrophobicContact CE1-CG1 3.52Å; F483-I1348 HydrophobicContact CZ-CD1 3.92Å; F483-I1348 HydrophobicContact CZ-CG1 4.37Å; A1344-I1348 HydrophobicContact CB-CD1 4.34Å; A1344-I1348 PolarHBondContact O-N 3.26Å; I1348-L1350 PolarHBondContact N-O 3.25Å; I1348-L1358 WeakPolarHBondContact O-CB 3.41Å; I1348-L1358 WeakPolarHBondContact O-CD2 3.31Å; I1348-F1376 HydrophobicContact CB-CB 4.39Å; I1348-F1376 HydrophobicContact CB-CD2 4.36Å; I1348-F1376 HydrophobicContact CD1-CB 4.42Å; I1348-F1376 HydrophobicContact CD1-CD2 4.05Å; I1348-F1376 HydrophobicContact CG2-CB 4.02Å; I1348-I1379 HydrophobicContact CD1-CB 4.22Å; I1348-I1379 HydrophobicContact CD1-CD1 3.86Å; I1348-I1379 HydrophobicContact CD1-CG2 4.08Å
1349W89.7Confident89.5Confident26 Ų2615.2 Ų15.210%0.0988%0.075CC..THydrogen-bonded Turntrans-81.3-39.3170.9-86.27.2000110.9L545 F549 Q1345 L1358 S1373 F1376L545-W1349 HydrophobicContact CB-CH2 4.25Å; L545-W1349 HydrophobicContact CB-CZ3 3.66Å; L545-W1349 HydrophobicContact CD2-CH2 3.94Å; L545-W1349 HydrophobicContact CD2-CZ3 3.94Å; L545-W1349 HydrophobicContact CG-CE3 4.25Å; L545-W1349 HydrophobicContact CG-CH2 4.22Å; L545-W1349 HydrophobicContact CG-CZ3 3.68Å; F549-W1349 HydrophobicContact CB-CE3 4.36Å; F549-W1349 HydrophobicContact CD2-CB 4.2Å; F549-W1349 HydrophobicContact CD2-CD2 4.32Å; F549-W1349 HydrophobicContact CD2-CE3 4.05Å; F549-W1349 HydrophobicContact CD2-CG 4.42Å; F549-W1349 HydrophobicContact CE2-CB 4.49Å; Q1345-W1349 PolarHBondContact O-N 2.94Å; W1349-L1358 PolarHBondContact O-N 3.46Å; W1349-S1373 WeakPolarHBondContact CZ2-OG 3.18Å; W1349-S1373 PolarHBondContact NE1-OG 2.83Å; W1349-F1376 HydrophobicContact CD2-CD1 4.15Å; W1349-F1376 HydrophobicContact CD2-CE1 4.16Å; W1349-F1376 AromaticContact CE2-CD1 3.57Å; W1349-F1376 AromaticContact CE2-CE1 3.85Å; W1349-F1376 HydrophobicContact CG-CD1 4.45Å; W1349-F1376 HydrophobicContact CH2-CE1 4.34Å; W1349-F1376 AromaticContact CZ2-CD1 3.87Å; W1349-F1376 HydrophobicContact CZ2-CD1 3.87Å; W1349-F1376 AromaticContact CZ2-CE1 3.93Å; W1349-F1376 HydrophobicContact CZ2-CE1 3.93Å; W1349-F1376 AromaticContact NE1-CD1 3.53Å; W1349-F1376 AromaticContact NE1-CG 3.92Å
1350L90.3Very high89.2Confident1 Ų114.9 Ų14.91%0.0057%0.073CC..EExtended strand (participates in β ladder)trans-110.3164.3178.6-51.1180000110.6H548 F549 Q1345 Y1346 H1347 I1348 A1354 G1356 I1357H548-L1350 HydrophobicContact CB-CD1 4.31Å; F549-L1350 HydrophobicContact CD2-CD2 4.27Å; Q1345-L1350 WeakPolarHBondContact O-CB 3.26Å; Q1345-L1350 WeakPolarHBondContact O-CG 3.49Å; Q1345-L1350 PolarHBondContact O-N 2.94Å; Y1346-L1350 CarbonylContact C-O 3.55Å; Y1346-L1350 HydrophobicContact CD1-CD1 4.1Å; Y1346-L1350 CarbonylContact O-C 3.59Å; H1347-L1350 CarbonylContact C-O 3.55Å; H1347-L1350 VanDerWaalsContact CA-O 3.3Å; H1347-L1350 WeakPolarHBondContact CA-O 3.34Å; H1347-L1350 PolarHBondContact N-O 2.83Å; I1348-L1350 PolarHBondContact N-O 3.25Å; L1350-A1354 HydrophobicContact CB-CB 4.38Å; L1350-A1354 HydrophobicContact CD1-CB 4.02Å; L1350-G1356 CarbonylContact C-O 3.58Å; L1350-G1356 WeakPolarHBondContact CA-O 3.3Å; L1350-G1356 WeakPolarHBondContact CB-O 3.26Å; L1350-G1356 WeakPolarHBondContact CD2-O 3.46Å; L1350-I1357 HydrophobicContact CD2-CG1 4.31Å
1351S86.4Confident88.5Confident0 Ų017.6 Ų17.60%09%0.087CC..EExtended strand (participates in β ladder)trans-155.9168.5-177.960.90000110.5K494 Y1355 G1356K494-S1351 WeakPolarHBondContact CG-OG 3.18Å; S1351-Y1355 PolarHBondContact O-N 3.42Å; S1351-G1356 PolarHBondContact N-O 2.93Å; S1351-G1356 WeakPolarHBondContact O-CA 3.4Å; S1351-G1356 PolarHBondContact O-N 3.23Å
1352A81Confident87.4Confident9 Ų920 Ų207%0.07410%0.103CC..THydrogen-bonded Turntrans52.966.7-170.900000111.1M77 S369 T372 D487 A1354 Y1355M77-A1352 HydrophobicContact CE-CB 3.67Å; S369-A1352 WeakPolarHBondContact O-CB 3.45Å; T372-A1352 HydrophobicContact CG2-CB 4Å; D487-A1352 WeakPolarHBondContact OD1-CA 3.43Å; D487-A1352 PolarHBondContact OD1-N 2.89Å; A1352-A1354 PolarHBondContact O-N 3.43Å; A1352-A1354 VanDerWaalsContact O-N 3.15Å; A1352-Y1355 WeakPolarHBondContact O-CD2 3.32Å; A1352-Y1355 PolarHBondContact O-N 2.95Å
1353D81.7Confident86.3Confident46 Ų4622.4 Ų22.425%0.24613%0.129CC..THydrogen-bonded Turntrans50.442.4180-66.5-79.4000112.9D487 R488 R670 Y1355D487-D1353 PolarHBondContact OD1-N 3.28Å; R488-D1353 IonicContact CZ-OD1 3.19Å; R488-D1353 IonicContact CZ-OD2 2.75Å; R488-D1353 IonicContact NH1-OD1 3.96Å; R488-D1353 IonicContact NH1-OD2 2.73Å; R488-D1353 PolarHBondContact NH1-OD2 2.87Å; R488-D1353 IonicContact NH2-OD1 2.75Å; R488-D1353 PolarHBondContact NH2-OD1 3.03Å; R488-D1353 IonicContact NH2-OD2 2.81Å; R488-D1353 PolarHBondContact NH2-OD2 2.92Å; R670-D1353 IonicContact CZ-OD1 3.13Å; R670-D1353 IonicContact CZ-OD2 3.98Å; R670-D1353 IonicContact NE-OD1 2.95Å; R670-D1353 PolarHBondContact NE-OD1 3.01Å; R670-D1353 IonicContact NE-OD2 3.83Å; R670-D1353 IonicContact NH2-OD1 3.66Å; R670-D1353 IonicContact NH2-OD2 3.03Å; R670-D1353 PolarHBondContact NH2-OD2 2.88Å; D1353-Y1355 HydrophobicContact CB-CD2 4.43Å; D1353-Y1355 WeakPolarHBondContact O-CD2 3.45Å; D1353-Y1355 PolarHBondContact O-N 3.4Å
1354A85Confident85.8Confident20 Ų2028.6 Ų28.617%0.16516%0.156CC..THydrogen-bonded Turntrans67.312.6-178.400000117.9K497 Y1346 L1350 A1352K497-A1354 WeakPolarHBondContact CE-O 3.49Å; K497-A1354 PolarHBondContact NZ-O 3.45Å; Y1346-A1354 HydrophobicContact CD1-CB 3.44Å; Y1346-A1354 VanDerWaalsContact CD1-CB 3.44Å; Y1346-A1354 HydrophobicContact CE1-CB 4.15Å; Y1346-A1354 HydrophobicContact CG-CB 4.16Å; L1350-A1354 HydrophobicContact CB-CB 4.38Å; L1350-A1354 HydrophobicContact CD1-CB 4.02Å; A1352-A1354 PolarHBondContact O-N 3.43Å; A1352-A1354 VanDerWaalsContact O-N 3.15Å
1355Y86.4Confident85.1Confident109 Ų10932.5 Ų32.543%0.42718%0.181SC..THydrogen-bonded Turntrans-81.9-33.5175.3-72.7-93.2000113.4S369 D370 K497 S1351 A1352 D1353S369-Y1355 WeakPolarHBondContact OG-CD2 3.21Å; S369-Y1355 WeakPolarHBondContact OG-CE2 3.33Å; D370-Y1355 HydrophobicContact CB-CD1 3.81Å; D370-Y1355 HydrophobicContact CB-CG 4.11Å; K497-Y1355 WeakPolarHBondContact CE-O 3.12Å; K497-Y1355 WeakPolarHBondContact CG-O 3.36Å; S1351-Y1355 PolarHBondContact O-N 3.42Å; A1352-Y1355 WeakPolarHBondContact O-CD2 3.32Å; A1352-Y1355 PolarHBondContact O-N 2.95Å; D1353-Y1355 HydrophobicContact CB-CD2 4.43Å; D1353-Y1355 WeakPolarHBondContact O-CD2 3.45Å; D1353-Y1355 PolarHBondContact O-N 3.4Å
1356G87.4Confident84.6Confident0 Ų039 Ų390%022%0.216CC..EExtended strand (participates in β ladder)trans-100.1169.1-179.800000115.4M77 L1350 S1351M77-G1356 WeakPolarHBondContact SD-CA 3.47Å; L1350-G1356 CarbonylContact C-O 3.58Å; L1350-G1356 WeakPolarHBondContact CA-O 3.3Å; L1350-G1356 WeakPolarHBondContact CB-O 3.26Å; L1350-G1356 WeakPolarHBondContact CD2-O 3.46Å; S1351-G1356 PolarHBondContact N-O 2.93Å; S1351-G1356 WeakPolarHBondContact O-CA 3.4Å; S1351-G1356 PolarHBondContact O-N 3.23Å
1357I90Very high84.4Confident27 Ų2742.2 Ų42.214%0.13823%0.234CC..EExtended strand (participates in β ladder)trans-104.1136.2166.8-59.5177000108.7K494 A495 K497 F549 L1350K494-I1357 WeakPolarHBondContact CA-O 3.36Å; A495-I1357 PolarHBondContact N-O 3.43Å; A495-I1357 PolarHBondContact O-N 3.26Å; K497-I1357 HydrophobicContact CB-CD1 4.4Å; K497-I1357 HydrophobicContact CG-CD1 4.08Å; K497-I1357 HydrophobicContact CG-CG1 3.74Å; F549-I1357 HydrophobicContact CE1-CD1 4.19Å; F549-I1357 HydrophobicContact CE2-CD1 4.34Å; F549-I1357 HydrophobicContact CE2-CG1 4.38Å; F549-I1357 HydrophobicContact CE2-CG2 3.69Å; F549-I1357 HydrophobicContact CZ-CD1 4.03Å; F549-I1357 HydrophobicContact CZ-CG2 3.81Å; L1350-I1357 HydrophobicContact CD2-CG1 4.31Å
1358L90Very high84.3Confident1 Ų142.4 Ų42.41%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-76.7131.4176.3-16671.1000111.6C486 F492 I1348 W1349 L1360 N1368C486-L1358 HydrophobicContact CB-CD1 4.25Å; C486-L1358 HydrophobicContact CB-CD2 3.95Å; F492-L1358 HydrophobicContact CB-CD1 3.69Å; F492-L1358 HydrophobicContact CB-CG 4.47Å; F492-L1358 HydrophobicContact CG-CD1 4.47Å; I1348-L1358 WeakPolarHBondContact O-CB 3.41Å; I1348-L1358 WeakPolarHBondContact O-CD2 3.31Å; W1349-L1358 PolarHBondContact O-N 3.46Å; L1358-L1360 HydrophobicContact CD2-CD2 4Å; L1358-L1360 HydrophobicContact CG-CD2 4.3Å; L1358-N1368 PolarHBondContact O-ND2 3.29Å
1359V85Confident84.2Confident26 Ų2644.9 Ų44.916%0.15825%0.248CC..EExtended strand (participates in β ladder)trans-118.8104.8179.2178.60000109.6M493 A495M493-V1359 HydrophobicContact CB-CB 3.83Å; M493-V1359 HydrophobicContact CB-CG1 4.14Å; M493-V1359 WeakPolarHBondContact CB-O 3.39Å; M493-V1359 PolarHBondContact N-O 2.96Å; M493-V1359 PolarHBondContact O-N 3.37Å; M493-V1359 HydrophobicContact SD-CG1 4.38Å; A495-V1359 HydrophobicContact CB-CG2 4.06Å
1360L84.3Confident84.2Confident1 Ų148.4 Ų48.41%0.00527%0.272CS..SBendtrans-85.9-27.2172.4-58.6-176.9000112I30 H34 F492 L1358 N1368 L1371 T1372 I1375I30-L1360 HydrophobicContact CD1-CD1 4.39Å; I30-L1360 HydrophobicContact CG2-CB 4.14Å; I30-L1360 HydrophobicContact CG2-CD2 4.12Å; H34-L1360 PolarHBondContact NE2-O 3.01Å; F492-L1360 HydrophobicContact CD1-CD2 3.69Å; F492-L1360 HydrophobicContact CE1-CD2 3.97Å; F492-L1360 HydrophobicContact CG-CD2 4.01Å; F492-L1360 HydrophobicContact CZ-CD2 4.46Å; L1358-L1360 HydrophobicContact CD2-CD2 4Å; L1358-L1360 HydrophobicContact CG-CD2 4.3Å; L1360-N1368 PolarHBondContact N-OD1 3.46Å; L1360-L1371 HydrophobicContact CD1-CG 4.42Å; L1360-T1372 HydrophobicContact CD1-CG2 3.67Å; L1360-T1372 HydrophobicContact CG-CG2 3.85Å; L1360-I1375 HydrophobicContact CD1-CD1 4.13Å
1361L80.1Confident84.3Confident58 Ų5849.8 Ų49.830%0.30428%0.279SS..SBendtrans-132.6109.9178.5-69.1174.2000110.6I1367 N1368 L1371L1361-I1367 HydrophobicContact CD1-CG2 3.81Å; L1361-N1368 PolarHBondContact N-OD1 2.94Å; L1361-N1368 VanDerWaalsContact N-OD1 3.14Å; L1361-L1371 HydrophobicContact CD1-CD2 3.67Å; L1361-L1371 HydrophobicContact CG-CD2 4.11Å
1362P71.7Confident84.6Confident57 Ų5749.9 Ų49.937%0.3728%0.28SS..SBendtrans-66.6160.9173.727.5-32.8000111.7M493 F1364M493-P1362 HydrophobicContact CE-CB 3.89Å; M493-P1362 HydrophobicContact CE-CG 4.14Å; M493-P1362 HydrophobicContact SD-CB 3.82Å; M493-P1362 HydrophobicContact SD-CG 3.82Å; P1362-F1364 WeakPolarHBondContact O-CD2 3.48Å; P1362-F1364 PolarHBondContact O-N 2.97Å
1363G69.8Low85.1Confident56 Ų5650.5 Ų50.558%0.57728%0.284SS*.SBendtrans75.1-36.8179.300000115.8P1365G1363-P1365 WeakPolarHBondContact O-CD 3.37Å
1364F81.3Confident85.7Confident131 Ų13151.9 Ų51.958%0.57529%0.288SS*.  trans-111.776.4-168.6-59.1-78.5000113.6P1362 L1366 I1367 N1368P1362-F1364 WeakPolarHBondContact O-CD2 3.48Å; P1362-F1364 PolarHBondContact O-N 2.97Å; F1364-L1366 PolarHBondContact O-N 3.35Å; F1364-I1367 HydrophobicContact CB-CB 4.02Å; F1364-I1367 HydrophobicContact CB-CD1 3.98Å; F1364-I1367 HydrophobicContact CB-CG1 4.1Å; F1364-I1367 HydrophobicContact CD1-CD1 4.16Å; F1364-I1367 HydrophobicContact CG-CD1 4.17Å; F1364-I1367 PolarHBondContact O-N 3.02Å; F1364-N1368 WeakPolarHBondContact O-CB 3.17Å; F1364-N1368 PolarHBondContact O-N 3.05Å
1365P79.3Confident86Confident82 Ų8251 Ų5153%0.53228%0.28SS..Hα-helixtrans-63.3-34.9-170.524.9-35.6000114.2G1363 L1369G1363-P1365 WeakPolarHBondContact O-CD 3.37Å; P1365-L1369 WeakPolarHBondContact O-CB 3.46Å; P1365-L1369 PolarHBondContact O-N 3.47Å
1366L83.9Confident86.4Confident137 Ų13745.8 Ų45.872%0.71726%0.26SS*.Hα-helixtrans-69.6-43.2177.6-64.9177.3000111.6F1364 L1369 T1370F1364-L1366 PolarHBondContact O-N 3.35Å; L1366-L1369 PolarHBondContact O-N 3.22Å; L1366-T1370 PolarHBondContact O-N 2.97Å; L1366-T1370 PolarHBondContact O-OG1 3.16Å
1367I88.3Confident86.7Confident95 Ų9548.5 Ų48.549%0.48727%0.274SS..Hα-helixtrans-65.5-42.5176.6-53.5-177.9000109.8L1361 F1364 L1369 T1370 L1371L1361-I1367 HydrophobicContact CD1-CG2 3.81Å; F1364-I1367 HydrophobicContact CB-CB 4.02Å; F1364-I1367 HydrophobicContact CB-CD1 3.98Å; F1364-I1367 HydrophobicContact CB-CG1 4.1Å; F1364-I1367 HydrophobicContact CD1-CD1 4.16Å; F1364-I1367 HydrophobicContact CG-CD1 4.17Å; F1364-I1367 PolarHBondContact O-N 3.02Å; I1367-L1369 PolarHBondContact O-N 3.4Å; I1367-T1370 PolarHBondContact O-N 3.17Å; I1367-L1371 VanDerWaalsContact O-CB 3.25Å; I1367-L1371 WeakPolarHBondContact O-CB 3.38Å; I1367-L1371 PolarHBondContact O-N 3.43Å
1368N88.8Confident86.9Confident8 Ų847.5 Ų47.54%0.04327%0.269CS..Hα-helixtrans-57.3-48174-173.470.5000111.8L1358 L1360 L1361 F1364 L1371 T1372L1358-N1368 PolarHBondContact O-ND2 3.29Å; L1360-N1368 PolarHBondContact N-OD1 3.46Å; L1361-N1368 PolarHBondContact N-OD1 2.94Å; L1361-N1368 VanDerWaalsContact N-OD1 3.14Å; F1364-N1368 WeakPolarHBondContact O-CB 3.17Å; F1364-N1368 PolarHBondContact O-N 3.05Å; N1368-L1371 PolarHBondContact O-N 3.23Å; N1368-T1372 WeakPolarHBondContact O-CB 3.46Å; N1368-T1372 WeakPolarHBondContact O-CG2 3.38Å; N1368-T1372 PolarHBondContact O-N 2.95Å; N1368-T1372 PolarHBondContact O-OG1 3.34Å
1369L88.8Confident87.1Confident53 Ų5347.8 Ų47.828%0.27727%0.271SS..Hα-helixtrans-61.5-43.5176.8178.160.4000112.2F549 P1365 L1366 I1367 T1372 S1373F549-L1369 HydrophobicContact CE1-CD1 4.16Å; F549-L1369 HydrophobicContact CE2-CD1 4.19Å; F549-L1369 HydrophobicContact CZ-CD1 3.8Å; P1365-L1369 WeakPolarHBondContact O-CB 3.46Å; P1365-L1369 PolarHBondContact O-N 3.47Å; L1366-L1369 PolarHBondContact O-N 3.22Å; I1367-L1369 PolarHBondContact O-N 3.4Å; L1369-T1372 PolarHBondContact O-OG1 3.39Å; L1369-S1373 WeakPolarHBondContact O-CB 3.43Å; L1369-S1373 PolarHBondContact O-N 3.25Å; L1369-S1373 PolarHBondContact O-OG 2.93Å
1370T89.9Confident87.5Confident100 Ų10046.6 Ų46.661%0.61326%0.263SS*.Hα-helixtrans-63.9-44.3177.8-55.90000111.6L1366 I1367 F1374L1366-T1370 PolarHBondContact O-N 2.97Å; L1366-T1370 PolarHBondContact O-OG1 3.16Å; I1367-T1370 PolarHBondContact O-N 3.17Å; T1370-F1374 WeakPolarHBondContact O-CB 3.48Å; T1370-F1374 PolarHBondContact O-N 3.17Å
1371L91.7Very high88Confident29 Ų2948 Ų4815%0.15227%0.27CS..Hα-helixtrans-68-48.1-178.7-179.159.8000112.4L26 I30 L1360 L1361 I1367 N1368 S1373 F1374 I1375L26-L1371 HydrophobicContact CD1-CD1 4.01Å; L26-L1371 HydrophobicContact CD2-CD1 4.42Å; I30-L1371 HydrophobicContact CD1-CD1 4.29Å; I30-L1371 HydrophobicContact CD1-CD2 3.84Å; I30-L1371 HydrophobicContact CD1-CG 4.3Å; L1360-L1371 HydrophobicContact CD1-CG 4.42Å; L1361-L1371 HydrophobicContact CD1-CD2 3.67Å; L1361-L1371 HydrophobicContact CG-CD2 4.11Å; I1367-L1371 VanDerWaalsContact O-CB 3.25Å; I1367-L1371 WeakPolarHBondContact O-CB 3.38Å; I1367-L1371 PolarHBondContact O-N 3.43Å; N1368-L1371 PolarHBondContact O-N 3.23Å; L1371-S1373 VanDerWaalsContact C-N 3.33Å; L1371-S1373 PolarHBondContact O-N 3.03Å; L1371-F1374 PolarHBondContact O-N 3.34Å; L1371-I1375 HydrophobicContact CD1-CD1 4.02Å; L1371-I1375 HydrophobicContact CG-CD1 4.21Å; L1371-I1375 WeakPolarHBondContact O-CG1 3.32Å; L1371-I1375 PolarHBondContact O-N 2.94Å; L1371-I1375 VanDerWaalsContact O-N 3.1Å
1372T92.3Very high88.6Confident2 Ų247.4 Ų47.41%0.01227%0.265CS..Hα-helixtrans-63.6-39.3175.955.80000111.2L1360 N1368 L1369 I1375 F1376L1360-T1372 HydrophobicContact CD1-CG2 3.67Å; L1360-T1372 HydrophobicContact CG-CG2 3.85Å; N1368-T1372 WeakPolarHBondContact O-CB 3.46Å; N1368-T1372 WeakPolarHBondContact O-CG2 3.38Å; N1368-T1372 PolarHBondContact O-N 2.95Å; N1368-T1372 PolarHBondContact O-OG1 3.34Å; L1369-T1372 PolarHBondContact O-OG1 3.39Å; T1372-I1375 PolarHBondContact O-N 3.19Å; T1372-F1376 WeakPolarHBondContact O-CB 3.43Å; T1372-F1376 PolarHBondContact O-N 2.93Å
1373S92.4Very high89.7Confident23 Ų2344.7 Ų44.716%0.16125%0.248CC..Hα-helixtrans-62.3-44.1175-60.60000113.2W1349 L1369 L1371 F1376 I1377W1349-S1373 WeakPolarHBondContact CZ2-OG 3.18Å; W1349-S1373 PolarHBondContact NE1-OG 2.83Å; L1369-S1373 WeakPolarHBondContact O-CB 3.43Å; L1369-S1373 PolarHBondContact O-N 3.25Å; L1369-S1373 PolarHBondContact O-OG 2.93Å; L1371-S1373 VanDerWaalsContact C-N 3.33Å; L1371-S1373 PolarHBondContact O-N 3.03Å; S1373-F1376 PolarHBondContact O-N 3.14Å; S1373-I1377 WeakPolarHBondContact O-CB 3.48Å; S1373-I1377 VanDerWaalsContact O-CG1 3.29Å; S1373-I1377 WeakPolarHBondContact O-CG1 3.27Å; S1373-I1377 PolarHBondContact O-N 3.09Å
1374F92.6Very high90.8Very high75 Ų7542.5 Ų42.533%0.32922%0.223SC..Hα-helixtrans-61.1-46.5177176.6-100.9000111.7A19 T22 L26 T1370 L1371 C1378A19-F1374 HydrophobicContact CB-CE2 4.08Å; A19-F1374 HydrophobicContact CB-CZ 3.99Å; A19-F1374 WeakPolarHBondContact O-CZ 3.47Å; T22-F1374 HydrophobicContact CG2-CE1 4.36Å; L26-F1374 HydrophobicContact CD1-CD1 4.2Å; L26-F1374 HydrophobicContact CD1-CE1 4.1Å; T1370-F1374 WeakPolarHBondContact O-CB 3.48Å; T1370-F1374 PolarHBondContact O-N 3.17Å; L1371-F1374 PolarHBondContact O-N 3.34Å; F1374-C1378 WeakPolarHBondContact O-CB 3.34Å; F1374-C1378 PolarHBondContact O-N 3.05Å; F1374-C1378 VanDerWaalsContact O-N 3.13Å; F1374-C1378 PolarHBondContact O-SG 2.83Å
1375I93Very high91.3Very high0 Ų038.7 Ų38.70%021%0.208CC..Hα-helixtrans-65-48.2178.6-69169.6000110.8S23 L26 M27 I30 Y482 L1360 L1371 T1372 I1377 C1378 I1379S23-I1375 WeakPolarHBondContact OG-CA 3.37Å; L26-I1375 HydrophobicContact CB-CD1 4.27Å; M27-I1375 HydrophobicContact CG-CD1 4.44Å; M27-I1375 HydrophobicContact CG-CG2 3.74Å; M27-I1375 HydrophobicContact SD-CG2 4.08Å; I30-I1375 HydrophobicContact CD1-CD1 4.13Å; Y482-I1375 HydrophobicContact CE1-CG2 4.32Å; L1360-I1375 HydrophobicContact CD1-CD1 4.13Å; L1371-I1375 HydrophobicContact CD1-CD1 4.02Å; L1371-I1375 HydrophobicContact CG-CD1 4.21Å; L1371-I1375 WeakPolarHBondContact O-CG1 3.32Å; L1371-I1375 PolarHBondContact O-N 2.94Å; L1371-I1375 VanDerWaalsContact O-N 3.1Å; T1372-I1375 PolarHBondContact O-N 3.19Å; I1375-I1377 PolarHBondContact O-N 3.48Å; I1375-C1378 PolarHBondContact O-N 3.2Å; I1375-I1379 HydrophobicContact CG2-CD1 3.55Å; I1375-I1379 HydrophobicContact CG2-CG1 4.41Å; I1375-I1379 VanDerWaalsContact O-CG1 3.32Å; I1375-I1379 WeakPolarHBondContact O-CG1 3.29Å; I1375-I1379 PolarHBondContact O-N 2.94Å
1376F94.6Very high91.9Very high0 Ų035 Ų350%018%0.184CC..Hα-helixtrans-56.2-48.6178.2163.1-116.7000112.7L545 L1341 A1344 Q1345 I1348 W1349 T1372 S1373 I1379 C1380L545-F1376 HydrophobicContact CD2-CE1 3.66Å; L545-F1376 HydrophobicContact CD2-CZ 3.88Å; L545-F1376 HydrophobicContact CG-CE1 4.42Å; L545-F1376 HydrophobicContact CG-CZ 4.33Å; L1341-F1376 HydrophobicContact CB-CZ 4.19Å; L1341-F1376 HydrophobicContact CD2-CD1 4.39Å; L1341-F1376 HydrophobicContact CD2-CE1 3.62Å; L1341-F1376 HydrophobicContact CD2-CE2 4.15Å; L1341-F1376 HydrophobicContact CD2-CZ 3.48Å; L1341-F1376 VanDerWaalsContact CD2-CZ 3.48Å; L1341-F1376 HydrophobicContact CG-CZ 4.45Å; A1344-F1376 HydrophobicContact CB-CD2 4.33Å; A1344-F1376 HydrophobicContact CB-CE2 4.03Å; Q1345-F1376 HydrophobicContact CB-CE2 4.23Å; Q1345-F1376 HydrophobicContact CB-CZ 4.19Å; I1348-F1376 HydrophobicContact CB-CB 4.39Å; I1348-F1376 HydrophobicContact CB-CD2 4.36Å; I1348-F1376 HydrophobicContact CD1-CB 4.42Å; I1348-F1376 HydrophobicContact CD1-CD2 4.05Å; I1348-F1376 HydrophobicContact CG2-CB 4.02Å; W1349-F1376 HydrophobicContact CD2-CD1 4.15Å; W1349-F1376 HydrophobicContact CD2-CE1 4.16Å; W1349-F1376 AromaticContact CE2-CD1 3.57Å; W1349-F1376 AromaticContact CE2-CE1 3.85Å; W1349-F1376 HydrophobicContact CG-CD1 4.45Å; W1349-F1376 HydrophobicContact CH2-CE1 4.34Å; W1349-F1376 AromaticContact CZ2-CD1 3.87Å; W1349-F1376 HydrophobicContact CZ2-CD1 3.87Å; W1349-F1376 AromaticContact CZ2-CE1 3.93Å; W1349-F1376 HydrophobicContact CZ2-CE1 3.93Å; W1349-F1376 AromaticContact NE1-CD1 3.53Å; W1349-F1376 AromaticContact NE1-CG 3.92Å; T1372-F1376 WeakPolarHBondContact O-CB 3.43Å; T1372-F1376 PolarHBondContact O-N 2.93Å; S1373-F1376 PolarHBondContact O-N 3.14Å; F1376-I1379 PolarHBondContact O-N 3.09Å; F1376-C1380 WeakPolarHBondContact CE2-SG 3.5Å; F1376-C1380 WeakPolarHBondContact O-CB 3.36Å; F1376-C1380 PolarHBondContact O-N 3.34Å; F1376-C1380 PolarHBondContact O-SG 3.48Å
1377I92.7Very high92.3Very high58 Ų5828.7 Ų28.730%0.29715%0.151SC..Hα-helixtrans-66.1-41.1179.5-68.6168.7000111.2W1333 S1373 I1375 I1379 C1380 H1381W1333-I1377 HydrophobicContact CH2-CG2 3.59Å; W1333-I1377 HydrophobicContact CZ3-CG2 4.17Å; S1373-I1377 WeakPolarHBondContact O-CB 3.48Å; S1373-I1377 VanDerWaalsContact O-CG1 3.29Å; S1373-I1377 WeakPolarHBondContact O-CG1 3.27Å; S1373-I1377 PolarHBondContact O-N 3.09Å; I1375-I1377 PolarHBondContact O-N 3.48Å; I1377-I1379 PolarHBondContact O-N 3.31Å; I1377-C1380 PolarHBondContact O-N 3.13Å; I1377-H1381 PolarHBondContact O-N 2.96Å; I1377-H1381 VanDerWaalsContact O-N 3.16Å
1378C93.6Very high92.3Very high6 Ų629.2 Ų29.24%0.04115%0.147CC..Hα-helixtrans-62.3-41.8176-71.80000112.2K20 F1374 I1375 E1382K20-C1378 HydrophobicContact CG-CB 4.19Å; F1374-C1378 WeakPolarHBondContact O-CB 3.34Å; F1374-C1378 PolarHBondContact O-N 3.05Å; F1374-C1378 VanDerWaalsContact O-N 3.13Å; F1374-C1378 PolarHBondContact O-SG 2.83Å; I1375-C1378 PolarHBondContact O-N 3.2Å; C1378-E1382 PolarHBondContact O-N 2.94Å
1379I94.1Very high92.3Very high7 Ų734.9 Ų34.94%0.03617%0.167CC..Hα-helixtrans-68.1-45.9177.8-69.3166000111.3M27 I479 Y482 F483 I1348 I1375 F1376 I1377 H1381 E1382 V1383M27-I1379 HydrophobicContact CE-CD1 3.75Å; M27-I1379 HydrophobicContact CE-CG1 4.31Å; M27-I1379 HydrophobicContact SD-CD1 3.78Å; M27-I1379 HydrophobicContact SD-CG1 4.1Å; I479-I1379 HydrophobicContact CD1-CG2 4.42Å; I479-I1379 HydrophobicContact CG1-CG2 4.35Å; I479-I1379 HydrophobicContact CG2-CG2 3.59Å; Y482-I1379 HydrophobicContact CD1-CD1 3.89Å; Y482-I1379 HydrophobicContact CE1-CD1 3.76Å; F483-I1379 HydrophobicContact CE1-CG2 3.85Å; F483-I1379 HydrophobicContact CZ-CG2 3.7Å; I1348-I1379 HydrophobicContact CD1-CB 4.22Å; I1348-I1379 HydrophobicContact CD1-CD1 3.86Å; I1348-I1379 HydrophobicContact CD1-CG2 4.08Å; I1375-I1379 HydrophobicContact CG2-CD1 3.55Å; I1375-I1379 HydrophobicContact CG2-CG1 4.41Å; I1375-I1379 VanDerWaalsContact O-CG1 3.32Å; I1375-I1379 WeakPolarHBondContact O-CG1 3.29Å; I1375-I1379 PolarHBondContact O-N 2.94Å; F1376-I1379 PolarHBondContact O-N 3.09Å; I1377-I1379 PolarHBondContact O-N 3.31Å; I1379-H1381 VanDerWaalsContact C-N 3.27Å; I1379-H1381 PolarHBondContact O-N 3.09Å; I1379-E1382 PolarHBondContact O-N 3.1Å; I1379-V1383 HydrophobicContact CG2-CG2 4.26Å; I1379-V1383 WeakPolarHBondContact O-CG2 3.33Å; I1379-V1383 PolarHBondContact O-N 3.48Å
1380C95.1Very high92.4Very high0 Ų032.4 Ų32.40%015%0.154CC..Hα-helixtrans-58.7-40.7179.9-68.10000111.7E1340 L1341 F1376 I1377 E1382 V1383 H1384E1340-C1380 HydrophobicContact CB-CB 4.17Å; L1341-C1380 HydrophobicContact CD2-CB 3.87Å; L1341-C1380 HydrophobicContact CG-CB 4.27Å; F1376-C1380 WeakPolarHBondContact CE2-SG 3.5Å; F1376-C1380 WeakPolarHBondContact O-CB 3.36Å; F1376-C1380 PolarHBondContact O-N 3.34Å; F1376-C1380 PolarHBondContact O-SG 3.48Å; I1377-C1380 PolarHBondContact O-N 3.13Å; C1380-E1382 PolarHBondContact O-N 3.28Å; C1380-V1383 PolarHBondContact O-N 2.99Å; C1380-H1384 VanDerWaalsContact O-CB 3.22Å; C1380-H1384 WeakPolarHBondContact O-CB 3.41Å; C1380-H1384 PolarHBondContact O-N 3.42Å
1381H93.3Very high92.4Very high30 Ų3028 Ų2814%0.13913%0.127CC..Hα-helixtrans-68.5-28.9174.9-172-51.1000113.3F16 W1333 M1337 I1377 I1379 I1385F16-H1381 AromaticContact CD1-CD2 3.81Å; F16-H1381 AromaticContact CD1-CE1 3.92Å; F16-H1381 AromaticContact CD1-NE2 3.74Å; F16-H1381 HydrophobicContact CE1-CB 3.55Å; F16-H1381 AromaticContact CE1-CD2 3.23Å; F16-H1381 WeakPolarHBondContact CE1-CD2 3.46Å; F16-H1381 AromaticContact CE1-CE1 3.85Å; F16-H1381 AromaticContact CE1-CG 3.18Å; F16-H1381 AromaticContact CE1-ND1 3.59Å; F16-H1381 AromaticContact CE1-NE2 3.66Å; F16-H1381 HydrophobicContact CZ-CB 3.62Å; F16-H1381 AromaticContact CZ-CD2 3.38Å; F16-H1381 WeakPolarHBondContact CZ-CD2 3.35Å; F16-H1381 AromaticContact CZ-CG 3.56Å; W1333-H1381 AromaticContact CZ2-CD2 3.81Å; W1333-H1381 AromaticContact NE1-CD2 3.92Å; M1337-H1381 HydrophobicContact CE-CB 4.15Å; M1337-H1381 HydrophobicContact SD-CB 4.44Å; I1377-H1381 PolarHBondContact O-N 2.96Å; I1377-H1381 VanDerWaalsContact O-N 3.16Å; I1379-H1381 VanDerWaalsContact C-N 3.27Å; I1379-H1381 PolarHBondContact O-N 3.09Å; H1381-I1385 PolarHBondContact O-N 3.38Å
1382E93.3Very high92Very high46 Ų4629.6 Ų29.622%0.21514%0.135CC..Hα-helixtrans-73.2-45.2170.3-77.8-61.288.200112.2K20 I479 C1378 I1379 C1380 H1384 I1385 L1386K20-E1382 VanDerWaalsContact CD-CD 3.43Å; K20-E1382 HydrophobicContact CD-CG 3.48Å; K20-E1382 VanDerWaalsContact CD-CG 3.48Å; K20-E1382 WeakPolarHBondContact CD-OE1 3.08Å; K20-E1382 WeakPolarHBondContact CE-OE1 3.3Å; K20-E1382 HydrophobicContact CG-CG 4.33Å; K20-E1382 IonicContact NZ-OE1 3.49Å; K20-E1382 PolarHBondContact NZ-OE1 3.28Å; I479-E1382 HydrophobicContact CD1-CB 4.07Å; C1378-E1382 PolarHBondContact O-N 2.94Å; I1379-E1382 PolarHBondContact O-N 3.1Å; C1380-E1382 PolarHBondContact O-N 3.28Å; E1382-H1384 PolarHBondContact O-N 3.35Å; E1382-I1385 PolarHBondContact O-N 3.45Å; E1382-I1385 VanDerWaalsContact O-N 3.12Å; E1382-L1386 HydrophobicContact CB-CD1 4.39Å; E1382-L1386 WeakPolarHBondContact O-CB 3.43Å; E1382-L1386 WeakPolarHBondContact O-CG 3.32Å; E1382-L1386 PolarHBondContact O-N 3.08Å
1383V94.4Very high91.7Very high1 Ų131.2 Ų31.21%0.00614%0.142CC..Hα-helixtrans-55.6-40.4173.7175.40000110.5I479 F660 E1340 I1379 C1380 L1386 T1387I479-V1383 HydrophobicContact CD1-CG2 4.11Å; I479-V1383 HydrophobicContact CG2-CG2 3.9Å; F660-V1383 HydrophobicContact CB-CG1 4.46Å; F660-V1383 HydrophobicContact CD1-CG1 3.94Å; F660-V1383 HydrophobicContact CD2-CG1 3.67Å; F660-V1383 HydrophobicContact CE1-CG1 4.05Å; F660-V1383 HydrophobicContact CE2-CG1 3.81Å; F660-V1383 HydrophobicContact CE2-CG2 4.23Å; F660-V1383 HydrophobicContact CG-CG1 3.77Å; F660-V1383 HydrophobicContact CZ-CG1 4.01Å; F660-V1383 HydrophobicContact CZ-CG2 4.37Å; E1340-V1383 HydrophobicContact CG-CB 4.32Å; E1340-V1383 HydrophobicContact CG-CG1 3.92Å; I1379-V1383 HydrophobicContact CG2-CG2 4.26Å; I1379-V1383 WeakPolarHBondContact O-CG2 3.33Å; I1379-V1383 PolarHBondContact O-N 3.48Å; C1380-V1383 PolarHBondContact O-N 2.99Å; V1383-L1386 PolarHBondContact O-N 3.4Å; V1383-T1387 HydrophobicContact CG1-CG2 4.07Å; V1383-T1387 WeakPolarHBondContact O-CB 3.32Å; V1383-T1387 WeakPolarHBondContact O-CG2 3.45Å; V1383-T1387 PolarHBondContact O-N 3.38Å; V1383-T1387 PolarHBondContact O-OG1 3.1Å
1384H93.1Very high91.3Very high10 Ų1031.5 Ų31.55%0.04614%0.141CC..Hα-helixtrans-60.5-45.1175.7-176.275000113.7R656 D1336 M1337 E1340 C1380 E1382 T1387 R1388R656-H1384 PolarHBondContact NH2-ND1 3.47Å; D1336-H1384 PolarHBondContact O-CE1 3.06Å; D1336-H1384 IonicContact OD2-CE1 3.59Å; D1336-H1384 IonicContact OD2-NE2 3.17Å; D1336-H1384 PolarHBondContact OD2-NE2 2.95Å; M1337-H1384 HydrophobicContact CB-CB 4.4Å; E1340-H1384 HydrophobicContact CG-CB 4.28Å; E1340-H1384 WeakPolarHBondContact OE1-CA 3.39Å; E1340-H1384 VanDerWaalsContact OE1-CB 3.3Å; E1340-H1384 WeakPolarHBondContact OE1-CB 3.37Å; E1340-H1384 IonicContact OE1-CG 2.74Å; E1340-H1384 IonicContact OE1-ND1 3.2Å; E1340-H1384 PolarHBondContact OE1-ND1 2.93Å; E1340-H1384 IonicContact OE2-ND1 3.37Å; C1380-H1384 VanDerWaalsContact O-CB 3.22Å; C1380-H1384 WeakPolarHBondContact O-CB 3.41Å; C1380-H1384 PolarHBondContact O-N 3.42Å; E1382-H1384 PolarHBondContact O-N 3.35Å; H1384-T1387 PolarHBondContact O-OG1 3.06Å; H1384-T1387 VanDerWaalsContact O-OG1 3.13Å; H1384-R1388 VanDerWaalsContact CE1-CZ 3.5Å; H1384-R1388 PolarHBondContact CE1-NH1 2.99Å; H1384-R1388 PolarHBondContact NE2-NH1 3.28Å; H1384-R1388 PolarHBondContact O-N 3.38Å
1385I91.2Very high90.9Very high50 Ų5028.3 Ų28.326%0.25613%0.127SC..Hα-helixtrans-69.4-43.3173.9-74.6178000111.6H1381 E1382 R1388 R1389H1381-I1385 PolarHBondContact O-N 3.38Å; E1382-I1385 PolarHBondContact O-N 3.45Å; E1382-I1385 VanDerWaalsContact O-N 3.12Å; I1385-R1388 PolarHBondContact O-N 2.98Å; I1385-R1389 HydrophobicContact CG2-CG 4.37Å; I1385-R1389 WeakPolarHBondContact O-CG 3.41Å; I1385-R1389 PolarHBondContact O-N 3.05Å
1386L92.9Very high90.4Very high6 Ų629.1 Ų29.13%0.03113%0.132CC..Hα-helixtrans-65.8-42.3-175.5-70.4168000111.5A472 K475 F476 I479 E1382 V1383 R1389 L1390A472-L1386 HydrophobicContact CB-CD2 4.07Å; K475-L1386 HydrophobicContact CB-CD1 3.86Å; K475-L1386 HydrophobicContact CB-CD2 4.05Å; K475-L1386 HydrophobicContact CD-CD2 4.32Å; F476-L1386 HydrophobicContact CB-CD1 4.42Å; I479-L1386 HydrophobicContact CD1-CD1 3.9Å; E1382-L1386 HydrophobicContact CB-CD1 4.39Å; E1382-L1386 WeakPolarHBondContact O-CB 3.43Å; E1382-L1386 WeakPolarHBondContact O-CG 3.32Å; E1382-L1386 PolarHBondContact O-N 3.08Å; V1383-L1386 PolarHBondContact O-N 3.4Å; L1386-R1389 PolarHBondContact O-N 3.05Å; L1386-L1390 WeakPolarHBondContact O-CB 3.23Å; L1386-L1390 VanDerWaalsContact O-CG 3.24Å; L1386-L1390 WeakPolarHBondContact O-CG 3.33Å; L1386-L1390 PolarHBondContact O-N 3.16Å
1387T92.1Very high89.5Confident3 Ų332.2 Ų32.22%0.01815%0.149CC..Hα-helixtrans-63.3-46.6175.155.30000111.6F476 R656 F659 F660 V1383 H1384 R1389 L1390 Q1391F476-T1387 HydrophobicContact CE2-CG2 4.46Å; R656-T1387 PolarHBondContact NH1-OG1 3.03Å; R656-T1387 VanDerWaalsContact NH1-OG1 3.12Å; F659-T1387 HydrophobicContact CD1-CG2 3.98Å; F660-T1387 HydrophobicContact CB-CG2 4.44Å; V1383-T1387 HydrophobicContact CG1-CG2 4.07Å; V1383-T1387 WeakPolarHBondContact O-CB 3.32Å; V1383-T1387 WeakPolarHBondContact O-CG2 3.45Å; V1383-T1387 PolarHBondContact O-N 3.38Å; V1383-T1387 PolarHBondContact O-OG1 3.1Å; H1384-T1387 PolarHBondContact O-OG1 3.06Å; H1384-T1387 VanDerWaalsContact O-OG1 3.13Å; T1387-R1389 VanDerWaalsContact C-N 3.31Å; T1387-R1389 PolarHBondContact O-N 2.81Å; T1387-L1390 PolarHBondContact O-N 2.8Å; T1387-Q1391 PolarHBondContact O-N 3.27Å
1388R88.8Confident88.9Confident107 Ų10731.7 Ų31.740%0.40415%0.151SC..Hα-helixtrans-58.6-39.2174.5-78.8-177.2169.5154.64.6112.6D1336 H1384 I1385 Q1391D1336-R1388 IonicContact OD1-NH2 3.59Å; D1336-R1388 IonicContact OD2-CZ 3.5Å; D1336-R1388 IonicContact OD2-NH1 2.7Å; D1336-R1388 PolarHBondContact OD2-NH1 3.25Å; D1336-R1388 VanDerWaalsContact OD2-NH1 3.07Å; D1336-R1388 IonicContact OD2-NH2 3.43Å; D1336-R1388 PolarHBondContact OD2-NH2 2.92Å; H1384-R1388 VanDerWaalsContact CE1-CZ 3.5Å; H1384-R1388 PolarHBondContact CE1-NH1 2.99Å; H1384-R1388 PolarHBondContact NE2-NH1 3.28Å; H1384-R1388 PolarHBondContact O-N 3.38Å; I1385-R1388 PolarHBondContact O-N 2.98Å; R1388-Q1391 WeakPolarHBondContact O-CB 3.28Å
1389R89Confident88.1Confident127 Ų12734.6 Ų34.648%0.47917%0.169SC..Hα-helixtrans-68-48.3175.4-73.1174.9179.4-127.7-3.8112.5I1385 L1386 T1387 Q1391 N1392 Y1393I1385-R1389 HydrophobicContact CG2-CG 4.37Å; I1385-R1389 WeakPolarHBondContact O-CG 3.41Å; I1385-R1389 PolarHBondContact O-N 3.05Å; L1386-R1389 PolarHBondContact O-N 3.05Å; T1387-R1389 VanDerWaalsContact C-N 3.31Å; T1387-R1389 PolarHBondContact O-N 2.81Å; R1389-Q1391 PolarHBondContact O-N 3.38Å; R1389-N1392 PolarHBondContact O-N 3.24Å; R1389-Y1393 VanDerWaalsContact O-CD2 3.24Å; R1389-Y1393 WeakPolarHBondContact O-CD2 3.46Å; R1389-Y1393 WeakPolarHBondContact O-CE2 3.39Å
1390L90.6Very high87.3Confident0 Ų040.8 Ų40.80%020%0.202CC..Hα-helixtrans-65.2-25.7-177.7-72.1168.3000112.7L469 A472 L473 Y655 F659 L1386 T1387 N1392 Y1393 I1394L469-L1390 HydrophobicContact CD1-CD2 3.74Å; A472-L1390 HydrophobicContact CB-CD2 3.77Å; A472-L1390 HydrophobicContact CB-CG 4.05Å; L473-L1390 HydrophobicContact CD2-CD1 4.21Å; L473-L1390 HydrophobicContact CD2-CD2 3.84Å; L473-L1390 HydrophobicContact CG-CD2 3.97Å; Y655-L1390 WeakPolarHBondContact OH-CB 3.19Å; F659-L1390 HydrophobicContact CE1-CD1 3.75Å; F659-L1390 HydrophobicContact CZ-CD1 3.84Å; L1386-L1390 WeakPolarHBondContact O-CB 3.23Å; L1386-L1390 VanDerWaalsContact O-CG 3.24Å; L1386-L1390 WeakPolarHBondContact O-CG 3.33Å; L1386-L1390 PolarHBondContact O-N 3.16Å; T1387-L1390 PolarHBondContact O-N 2.8Å; L1390-N1392 VanDerWaalsContact C-N 3.29Å; L1390-N1392 PolarHBondContact O-N 3.06Å; L1390-Y1393 PolarHBondContact O-N 3.33Å; L1390-I1394 PolarHBondContact O-N 3.25Å; L1390-I1394 VanDerWaalsContact O-N 3.12Å
1391Q89.6Confident86.7Confident9 Ų946.2 Ų46.24%0.04223%0.225CC..Hα-helixtrans-53.5-41.9173.2-170.7169.8-37.700112.9Y655 T1387 R1388 R1389 Y1393 I1394 I1395Y655-Q1391 HydrophobicContact CD1-CB 3.87Å; Y655-Q1391 HydrophobicContact CD1-CG 3.76Å; Y655-Q1391 HydrophobicContact CE1-CB 3.55Å; Y655-Q1391 HydrophobicContact CE1-CG 4Å; T1387-Q1391 PolarHBondContact O-N 3.27Å; R1388-Q1391 WeakPolarHBondContact O-CB 3.28Å; R1389-Q1391 PolarHBondContact O-N 3.38Å; Q1391-Y1393 VanDerWaalsContact C-N 3.32Å; Q1391-Y1393 PolarHBondContact O-N 3.19Å; Q1391-I1394 PolarHBondContact O-N 3.29Å; Q1391-I1395 WeakPolarHBondContact O-CA 3.3Å; Q1391-I1395 PolarHBondContact O-N 2.76Å
1392N83.5Confident86.1Confident61 Ų6144.9 Ų44.933%0.32622%0.219SC..Hα-helixtrans-67.8-33-175.9-67.5-1.2000112.7I807 R1389 L1390I807-N1392 WeakPolarHBondContact CG2-OD1 3.47Å; R1389-N1392 PolarHBondContact O-N 3.24Å; L1390-N1392 VanDerWaalsContact C-N 3.29Å; L1390-N1392 PolarHBondContact O-N 3.06Å
1393Y85.7Confident85.6Confident37 Ų3746.9 Ų46.915%0.14523%0.234CC..Hα-helixtrans-78.8-35.9178.1-58-87.7000111.9E465 E468 L469 R1389 L1390 Q1391 N1405E465-Y1393 HydrophobicContact CB-CE1 4.44Å; E468-Y1393 VanDerWaalsContact CB-OH 3.24Å; E468-Y1393 WeakPolarHBondContact CB-OH 3.45Å; E468-Y1393 PolarHBondContact OE2-OH 2.93Å; L469-Y1393 HydrophobicContact CB-CD1 4.08Å; L469-Y1393 HydrophobicContact CB-CE1 4.07Å; L469-Y1393 HydrophobicContact CB-CG 4.47Å; L469-Y1393 HydrophobicContact CD1-CD1 4.32Å; L469-Y1393 HydrophobicContact CD1-CD2 4.25Å; L469-Y1393 HydrophobicContact CD1-CG 3.93Å; L469-Y1393 HydrophobicContact CD2-CD1 4.37Å; L469-Y1393 HydrophobicContact CG-CD1 4.49Å; R1389-Y1393 VanDerWaalsContact O-CD2 3.24Å; R1389-Y1393 WeakPolarHBondContact O-CD2 3.46Å; R1389-Y1393 WeakPolarHBondContact O-CE2 3.39Å; L1390-Y1393 PolarHBondContact O-N 3.33Å; Q1391-Y1393 VanDerWaalsContact C-N 3.32Å; Q1391-Y1393 PolarHBondContact O-N 3.19Å; Y1393-N1405 PolarHBondContact O-ND2 3.29Å
1394I82.9Confident85.2Confident28 Ų2853.5 Ų53.514%0.14426%0.259CS..Hα-helixtrans-84.8-36.1-177.5-64.3169.5000111.3Y655 F659 L1390 Q1391 P1396Y655-I1394 HydrophobicContact CD2-CG2 4.24Å; Y655-I1394 HydrophobicContact CE2-CB 4.2Å; Y655-I1394 HydrophobicContact CE2-CD1 3.61Å; Y655-I1394 HydrophobicContact CE2-CG1 4.48Å; Y655-I1394 HydrophobicContact CE2-CG2 4.15Å; F659-I1394 HydrophobicContact CD2-CD1 4.22Å; F659-I1394 HydrophobicContact CE2-CD1 3.74Å; F659-I1394 HydrophobicContact CZ-CD1 4.41Å; L1390-I1394 PolarHBondContact O-N 3.25Å; L1390-I1394 VanDerWaalsContact O-N 3.12Å; Q1391-I1394 PolarHBondContact O-N 3.29Å; I1394-P1396 VanDerWaalsContact O-CD 3.31Å; I1394-P1396 WeakPolarHBondContact O-CD 3.46Å
1395I85.8Confident84.9Confident9 Ų954.4 Ų54.45%0.04626%0.264CS..SBendtrans-123.867.9-177.5-51.3179000110F648 L651 Q652 Y655 Q1391 L1402F648-I1395 HydrophobicContact CD2-CG2 3.95Å; F648-I1395 HydrophobicContact CE2-CG2 3.58Å; F648-I1395 HydrophobicContact CZ-CG2 4.22Å; L651-I1395 HydrophobicContact CB-CD1 4Å; L651-I1395 HydrophobicContact CB-CG2 4.43Å; L651-I1395 WeakPolarHBondContact O-CD1 3.48Å; Q652-I1395 HydrophobicContact CG-CG2 3.82Å; Y655-I1395 VanDerWaalsContact CB-CD1 3.41Å; Y655-I1395 HydrophobicContact CD2-CD1 4.16Å; Y655-I1395 HydrophobicContact CG-CD1 3.79Å; Q1391-I1395 WeakPolarHBondContact O-CA 3.3Å; Q1391-I1395 PolarHBondContact O-N 2.76Å; I1395-L1402 HydrophobicContact CB-CD1 4.17Å; I1395-L1402 HydrophobicContact CG1-CD1 4.47Å; I1395-L1402 HydrophobicContact CG2-CD1 3.77Å
1396P82.3Confident84.4Confident16 Ų1654.4 Ų54.410%0.10426%0.264CS..  trans-72.6150177.732.3-37.9000111.7I1394 S1398 K1401 L1402I1394-P1396 VanDerWaalsContact O-CD 3.31Å; I1394-P1396 WeakPolarHBondContact O-CD 3.46Å; P1396-S1398 PolarHBondContact O-N 3.24Å; P1396-K1401 HydrophobicContact CB-CB 4.05Å; P1396-K1401 HydrophobicContact CG-CB 3.58Å; P1396-L1402 HydrophobicContact CG-CB 4.43Å
1397N75.7Confident83.9Confident65 Ų6559.6 Ų59.635%0.34829%0.292SS..SBendtrans-64.1-9.5-171.4-68-51.1000116.7F648 Y808F648-N1397 WeakPolarHBondContact CZ-OD1 3.37Å; Y808-N1397 WeakPolarHBondContact CD1-ND2 3.41Å; Y808-N1397 HydrophobicContact CE1-CB 3.84Å; Y808-N1397 VanDerWaalsContact CE1-ND2 3.25Å; Y808-N1397 WeakPolarHBondContact CE1-ND2 3.48Å; Y808-N1397 WeakPolarHBondContact CE1-OD1 3.17Å; Y808-N1397 VanDerWaalsContact CZ-OD1 3.23Å; Y808-N1397 PolarHBondContact OH-OD1 3.14Å
1398S79.2Confident83.6Confident48 Ų4863.9 Ų63.934%0.33631%0.313SS..SBendtrans-111.5136.6-17964.20000112.6P1396 L1400 K1401 L1402P1396-S1398 PolarHBondContact O-N 3.24Å; S1398-L1400 VanDerWaalsContact C-N 3.35Å; S1398-L1400 PolarHBondContact O-N 3.35Å; S1398-K1401 PolarHBondContact O-N 3.06Å; S1398-K1401 WeakPolarHBondContact OG-CG 3.36Å; S1398-L1402 PolarHBondContact O-N 3.21Å
1399P76.3Confident83.3Confident66 Ų6663 Ų6343%0.42931%0.312SS..Hα-helixtrans-59.3-39.7-168.619.9-32.9000113.9F644 L1402 V1403F644-P1399 HydrophobicContact CD2-CB 4.08Å; F644-P1399 HydrophobicContact CE1-CB 4.27Å; F644-P1399 HydrophobicContact CE2-CB 3.54Å; F644-P1399 HydrophobicContact CZ-CB 3.66Å; F644-P1399 HydrophobicContact CZ-CG 4.41Å; P1399-L1402 PolarHBondContact O-N 3.18Å; P1399-V1403 WeakPolarHBondContact O-CG2 3.32Å; P1399-V1403 PolarHBondContact O-N 3.04Å
1400L79.3Confident82.9Confident138 Ų13860.5 Ų60.572%0.72331%0.312SS*.Hα-helixtrans-69.6-40.8-180-64.5173.4000112.1S1398 L1402 R1404S1398-L1400 VanDerWaalsContact C-N 3.35Å; S1398-L1400 PolarHBondContact O-N 3.35Å; L1400-L1402 VanDerWaalsContact C-N 3.33Å; L1400-R1404 VanDerWaalsContact O-CB 3.3Å; L1400-R1404 WeakPolarHBondContact O-CB 3.45Å; L1400-R1404 PolarHBondContact O-N 3.43Å; L1400-R1404 VanDerWaalsContact O-N 3.12Å
1401K80.7Confident82.6Confident113 Ų11365.8 Ų65.849%0.49134%0.339SS..Hα-helixtrans-65.7-38.2173.3-68.7-171.3179.7-173.60110.6P1396 S1398 N1405P1396-K1401 HydrophobicContact CB-CB 4.05Å; P1396-K1401 HydrophobicContact CG-CB 3.58Å; S1398-K1401 PolarHBondContact O-N 3.06Å; S1398-K1401 WeakPolarHBondContact OG-CG 3.36Å; K1401-N1405 VanDerWaalsContact O-CB 3.25Å; K1401-N1405 WeakPolarHBondContact O-CB 3.48Å; K1401-N1405 PolarHBondContact O-N 3.49Å; K1401-N1405 PolarHBondContact O-OD1 3.37Å; K1401-N1405 VanDerWaalsContact O-OD1 3.11Å
1402L82.6Confident82.3Confident2 Ų267.4 Ų67.41%0.0135%0.35CS..Hα-helixtrans-62.2-53.4178.2-178.767.7000111.8F644 F648 L651 I1395 P1396 S1398 P1399 L1400 R1404 N1405 I1406F644-L1402 HydrophobicContact CE2-CD2 3.73Å; F644-L1402 HydrophobicContact CZ-CD2 3.9Å; F648-L1402 HydrophobicContact CD2-CD2 4.3Å; L651-L1402 HydrophobicContact CD1-CD1 4.31Å; L651-L1402 HydrophobicContact CD1-CD2 4.09Å; I1395-L1402 HydrophobicContact CB-CD1 4.17Å; I1395-L1402 HydrophobicContact CG1-CD1 4.47Å; I1395-L1402 HydrophobicContact CG2-CD1 3.77Å; P1396-L1402 HydrophobicContact CG-CB 4.43Å; S1398-L1402 PolarHBondContact O-N 3.21Å; P1399-L1402 PolarHBondContact O-N 3.18Å; L1400-L1402 VanDerWaalsContact C-N 3.33Å; L1402-R1404 VanDerWaalsContact C-N 3.34Å; L1402-R1404 PolarHBondContact O-N 3.23Å; L1402-N1405 PolarHBondContact O-N 2.96Å; L1402-I1406 HydrophobicContact CD1-CD1 3.85Å; L1402-I1406 HydrophobicContact CD1-CG1 4.28Å; L1402-I1406 HydrophobicContact CG-CD1 3.83Å; L1402-I1406 WeakPolarHBondContact O-CB 3.42Å; L1402-I1406 VanDerWaalsContact O-CG1 3.32Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.48Å; L1402-I1406 PolarHBondContact O-N 3.03Å
1403V81.5Confident82.3Confident88 Ų8868.1 Ų68.153%0.53335%0.35SS..Hα-helixtrans-59.8-45.3179.2172.30000111P1399 N1405 I1406 L1407P1399-V1403 WeakPolarHBondContact O-CG2 3.32Å; P1399-V1403 PolarHBondContact O-N 3.04Å; V1403-N1405 PolarHBondContact O-N 2.94Å; V1403-I1406 PolarHBondContact O-N 3.07Å; V1403-L1407 HydrophobicContact CG1-CD1 4.05Å; V1403-L1407 WeakPolarHBondContact O-CG 3.33Å; V1403-L1407 PolarHBondContact O-N 3.4Å
1404R86.1Confident82Confident141 Ų14171.1 Ų71.153%0.53237%0.365SS..Hα-helixtrans-58.2-47.6175.9-174.2-164.369.3169.35.6112.1L1400 L1402 L1407 I1408L1400-R1404 VanDerWaalsContact O-CB 3.3Å; L1400-R1404 WeakPolarHBondContact O-CB 3.45Å; L1400-R1404 PolarHBondContact O-N 3.43Å; L1400-R1404 VanDerWaalsContact O-N 3.12Å; L1402-R1404 VanDerWaalsContact C-N 3.34Å; L1402-R1404 PolarHBondContact O-N 3.23Å; R1404-L1407 PolarHBondContact O-N 2.9Å; R1404-I1408 HydrophobicContact CG-CD1 4.05Å; R1404-I1408 WeakPolarHBondContact O-CG1 3.29Å; R1404-I1408 PolarHBondContact O-N 3.4Å
1405N86.1Confident82.1Confident28 Ų2875.2 Ų75.215%0.1539%0.387CS..Hα-helixtrans-73-33.2-175.5-66.711.5000111.7Y1393 K1401 L1402 V1403 I1408 F1409Y1393-N1405 PolarHBondContact O-ND2 3.29Å; K1401-N1405 VanDerWaalsContact O-CB 3.25Å; K1401-N1405 WeakPolarHBondContact O-CB 3.48Å; K1401-N1405 PolarHBondContact O-N 3.49Å; K1401-N1405 PolarHBondContact O-OD1 3.37Å; K1401-N1405 VanDerWaalsContact O-OD1 3.11Å; L1402-N1405 PolarHBondContact O-N 2.96Å; V1403-N1405 PolarHBondContact O-N 2.94Å; N1405-I1408 PolarHBondContact O-N 3Å; N1405-F1409 WeakPolarHBondContact O-CB 3.1Å; N1405-F1409 PolarHBondContact O-N 2.98Å
1406I82.6Confident81.9Confident51 Ų5175.5 Ų75.526%0.26239%0.388SS..Hα-helixtrans-63.8-43.5169.9-70.7171.9000111L651 L1402 V1403 F1409 T1410L651-I1406 HydrophobicContact CD1-CD1 3.91Å; L1402-I1406 HydrophobicContact CD1-CD1 3.85Å; L1402-I1406 HydrophobicContact CD1-CG1 4.28Å; L1402-I1406 HydrophobicContact CG-CD1 3.83Å; L1402-I1406 WeakPolarHBondContact O-CB 3.42Å; L1402-I1406 VanDerWaalsContact O-CG1 3.32Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.48Å; L1402-I1406 PolarHBondContact O-N 3.03Å; V1403-I1406 PolarHBondContact O-N 3.07Å; I1406-F1409 PolarHBondContact O-N 3.46Å; I1406-T1410 WeakPolarHBondContact O-CB 3.45Å; I1406-T1410 PolarHBondContact O-N 2.76Å; I1406-T1410 PolarHBondContact O-OG1 2.83Å
1407L82.2Confident81.6Confident115 Ų11576.1 Ų76.160%0.60239%0.392SS*.Hα-helixtrans-61.4-45.2176-74.3168000111.6V1403 R1404 T1410 L1411V1403-L1407 HydrophobicContact CG1-CD1 4.05Å; V1403-L1407 WeakPolarHBondContact O-CG 3.33Å; V1403-L1407 PolarHBondContact O-N 3.4Å; R1404-L1407 PolarHBondContact O-N 2.9Å; L1407-T1410 PolarHBondContact O-N 3.1Å; L1407-L1411 WeakPolarHBondContact O-CB 3.18Å; L1407-L1411 PolarHBondContact O-N 3.02Å
1408I85.6Confident81Confident92 Ų9276.5 Ų76.547%0.47239%0.394SS..Hα-helixtrans-60.8-48.1175.9-67.6164000110.9R1404 N1405 T1410 L1411 V1412R1404-I1408 HydrophobicContact CG-CD1 4.05Å; R1404-I1408 WeakPolarHBondContact O-CG1 3.29Å; R1404-I1408 PolarHBondContact O-N 3.4Å; N1405-I1408 PolarHBondContact O-N 3Å; I1408-T1410 VanDerWaalsContact C-N 3.33Å; I1408-T1410 PolarHBondContact O-N 3.24Å; I1408-L1411 PolarHBondContact O-N 3.42Å; I1408-V1412 WeakPolarHBondContact O-CG2 3.15Å; I1408-V1412 PolarHBondContact O-N 3.48Å
1409F82.3Confident79.8Confident88 Ų8876 Ų7639%0.38639%0.39SS..Hα-helixtrans-60.2-42.5177.3-179.6-93.3000111.9F659 N1405 I1406 L1411 V1412 F1413F659-F1409 HydrophobicContact CE2-CE2 4.47Å; N1405-F1409 WeakPolarHBondContact O-CB 3.1Å; N1405-F1409 PolarHBondContact O-N 2.98Å; I1406-F1409 PolarHBondContact O-N 3.46Å; F1409-L1411 PolarHBondContact O-N 2.81Å; F1409-V1412 PolarHBondContact O-N 3.37Å; F1409-F1413 VanDerWaalsContact O-CB 3.3Å; F1409-F1413 WeakPolarHBondContact O-CB 3.39Å; F1409-F1413 PolarHBondContact O-N 3.43Å
1410T81Confident78.5Confident76 Ų7676.6 Ų76.647%0.46639%0.393SS..Hα-helixtrans-64.4-40.5178.5-53.50000111.4I1406 L1407 I1408 H1414I1406-T1410 WeakPolarHBondContact O-CB 3.45Å; I1406-T1410 PolarHBondContact O-N 2.76Å; I1406-T1410 PolarHBondContact O-OG1 2.83Å; L1407-T1410 PolarHBondContact O-N 3.1Å; I1408-T1410 VanDerWaalsContact C-N 3.33Å; I1408-T1410 PolarHBondContact O-N 3.24Å; T1410-H1414 VanDerWaalsContact O-CB 3.27Å; T1410-H1414 WeakPolarHBondContact O-CB 3.43Å; T1410-H1414 PolarHBondContact O-N 3.16Å
1411L83.9Confident76.5Confident111 Ų11174.3 Ų74.358%0.58138%0.381SS*.Hα-helixtrans-66.9-42.8176.2-178.4131.2000112.2L1407 I1408 F1409 H1414 L1415L1407-L1411 WeakPolarHBondContact O-CB 3.18Å; L1407-L1411 PolarHBondContact O-N 3.02Å; I1408-L1411 PolarHBondContact O-N 3.42Å; F1409-L1411 PolarHBondContact O-N 2.81Å; L1411-H1414 PolarHBondContact O-N 3.13Å; L1411-L1415 HydrophobicContact CD2-CD1 3.79Å; L1411-L1415 HydrophobicContact CG-CD1 4.35Å; L1411-L1415 WeakPolarHBondContact O-CB 3.21Å; L1411-L1415 PolarHBondContact O-N 3.38Å
1412V84.2Confident74.3Confident43 Ų4376.2 Ų76.226%0.26139%0.392SS..Hα-helixtrans-64.4-44175170.50000111.3F390 I1408 F1409 L1415 I1416F390-V1412 HydrophobicContact CD2-CG1 4.15Å; F390-V1412 HydrophobicContact CE2-CG1 3.78Å; F390-V1412 HydrophobicContact CZ-CG1 4.29Å; I1408-V1412 WeakPolarHBondContact O-CG2 3.15Å; I1408-V1412 PolarHBondContact O-N 3.48Å; F1409-V1412 PolarHBondContact O-N 3.37Å; V1412-L1415 PolarHBondContact O-N 3.35Å; V1412-I1416 HydrophobicContact CG1-CD1 4.24Å; V1412-I1416 WeakPolarHBondContact O-CG1 3.34Å; V1412-I1416 PolarHBondContact O-N 2.77Å
1413F82.1Confident71.9Confident76 Ų7684.5 Ų84.533%0.33343%0.432SS..Hα-helixtrans-59.3-47.4174.7-179.9-95.1000111.1L666 F1409 L1415 I1416 T1417L666-F1413 HydrophobicContact CD1-CD2 4.27Å; L666-F1413 HydrophobicContact CD1-CE2 4.17Å; L666-F1413 HydrophobicContact CD2-CE2 4.08Å; L666-F1413 HydrophobicContact CG-CE2 4.44Å; F1409-F1413 VanDerWaalsContact O-CB 3.3Å; F1409-F1413 WeakPolarHBondContact O-CB 3.39Å; F1409-F1413 PolarHBondContact O-N 3.43Å; F1413-L1415 PolarHBondContact O-N 2.91Å; F1413-I1416 PolarHBondContact O-N 3.06Å; F1413-I1416 VanDerWaalsContact O-N 3.15Å; F1413-T1417 HydrophobicContact CD1-CG2 4.32Å; F1413-T1417 HydrophobicContact CE1-CG2 3.88Å; F1413-T1417 HydrophobicContact CE2-CG2 4.2Å; F1413-T1417 HydrophobicContact CZ-CG2 3.81Å; F1413-T1417 PolarHBondContact O-N 3.21Å; F1413-T1417 PolarHBondContact O-OG1 2.82Å
1414H80.8Confident69.6Low99 Ų9986 Ų8646%0.45844%0.436SS..Hα-helixtrans-58.8-46176.7-169.1-91.8000111.9T1410 L1411 I1416 T1417 N1418T1410-H1414 VanDerWaalsContact O-CB 3.27Å; T1410-H1414 WeakPolarHBondContact O-CB 3.43Å; T1410-H1414 PolarHBondContact O-N 3.16Å; L1411-H1414 PolarHBondContact O-N 3.13Å; H1414-I1416 VanDerWaalsContact C-N 3.25Å; H1414-I1416 PolarHBondContact O-N 2.86Å; H1414-T1417 PolarHBondContact O-N 3.48Å; H1414-T1417 VanDerWaalsContact O-N 3.12Å; H1414-T1417 PolarHBondContact O-OG1 3.28Å; H1414-N1418 VanDerWaalsContact CE1-CG 3.42Å; H1414-N1418 WeakPolarHBondContact O-CB 3.17Å; H1414-N1418 PolarHBondContact O-N 3.45Å
1415L83.7Confident66.6Low114 Ų11486.9 Ų86.960%0.59745%0.446SS*.Hα-helixtrans-54.8-38.6175.2-92153.9000113.2L1411 V1412 F1413L1411-L1415 HydrophobicContact CD2-CD1 3.79Å; L1411-L1415 HydrophobicContact CG-CD1 4.35Å; L1411-L1415 WeakPolarHBondContact O-CB 3.21Å; L1411-L1415 PolarHBondContact O-N 3.38Å; V1412-L1415 PolarHBondContact O-N 3.35Å; F1413-L1415 PolarHBondContact O-N 2.91Å
1416I81.5Confident63.8Low15 Ų1596.5 Ų96.58%0.07748%0.48CS..Hα-helixtrans-70.7-43.7176.2-65.2165.3000111V383 K386 C387 F390 L666 V1412 F1413 H1414V383-I1416 HydrophobicContact CG1-CG2 4.14Å; K386-I1416 HydrophobicContact CB-CG2 4.36Å; K386-I1416 WeakPolarHBondContact CD-O 3.37Å; C387-I1416 HydrophobicContact CB-CG2 4.36Å; F390-I1416 HydrophobicContact CB-CD1 4.38Å; F390-I1416 HydrophobicContact CG-CD1 4.32Å; L666-I1416 HydrophobicContact CD2-CG2 4.28Å; V1412-I1416 HydrophobicContact CG1-CD1 4.24Å; V1412-I1416 WeakPolarHBondContact O-CG1 3.34Å; V1412-I1416 PolarHBondContact O-N 2.77Å; F1413-I1416 PolarHBondContact O-N 3.06Å; F1413-I1416 VanDerWaalsContact O-N 3.15Å; H1414-I1416 VanDerWaalsContact C-N 3.25Å; H1414-I1416 PolarHBondContact O-N 2.86Å
1417T75.8Confident61.1Low29 Ų29101.6 Ų101.618%0.17851%0.508CS..Hα-helixtrans-85.9-26.3-172.958.70000115.6L666 F1413 H1414 S1419 T1420L666-T1417 HydrophobicContact CD2-CG2 4.01Å; F1413-T1417 HydrophobicContact CD1-CG2 4.32Å; F1413-T1417 HydrophobicContact CE1-CG2 3.88Å; F1413-T1417 HydrophobicContact CE2-CG2 4.2Å; F1413-T1417 HydrophobicContact CZ-CG2 3.81Å; F1413-T1417 PolarHBondContact O-N 3.21Å; F1413-T1417 PolarHBondContact O-OG1 2.82Å; H1414-T1417 PolarHBondContact O-N 3.48Å; H1414-T1417 VanDerWaalsContact O-N 3.12Å; H1414-T1417 PolarHBondContact O-OG1 3.28Å; T1417-S1419 PolarHBondContact O-N 2.88Å; T1417-T1420 PolarHBondContact O-N 3.38Å; T1417-T1420 PolarHBondContact O-OG1 3.09Å
1418N64.4Low58.5Low74 Ų74105.9 Ų105.940%0.39652%0.522SS..G310 helixtrans-65.2-2.5-159.9-159.539.4000116.7H1414 T1420H1414-N1418 VanDerWaalsContact CE1-CG 3.42Å; H1414-N1418 WeakPolarHBondContact O-CB 3.17Å; H1414-N1418 PolarHBondContact O-N 3.45Å; N1418-T1420 VanDerWaalsContact C-N 3.32Å
1419S53.2Low55.7Low36 Ų36110.3 Ų110.325%0.25256%0.561SS.*G310 helixtrans-74.4-15.9169.430.80000114K386 T1417K386-S1419 PolarHBondContact NZ-OG 2.89Å; T1417-S1419 PolarHBondContact O-N 2.88Å
1420T48.1Very low54.4Low80 Ų80111.4 Ų111.449%0.49157%0.57SS.*G310 helixtrans-82.7-12.7-178.759.50000114.4V383 T1417 N1418V383-T1420 HydrophobicContact CG2-CG2 3.64Å; T1417-T1420 PolarHBondContact O-N 3.38Å; T1417-T1420 PolarHBondContact O-OG1 3.09Å; N1418-T1420 VanDerWaalsContact C-N 3.32Å
1421L38.6Very low53Low89 Ų89113.3 Ų113.347%0.46658%0.576SS.*SBendtrans-88.1-20.7-176.4-105.2158.2000114.1M1423 I1424L1421-M1423 PolarHBondContact O-N 3.01Å; L1421-I1424 HydrophobicContact CD2-CB 4.35Å; L1421-I1424 PolarHBondContact O-N 3.29Å
1422Q33.3Very low51.3Low154 Ų154113.4 Ų113.472%0.7258%0.575SS**THydrogen-bonded Turntrans-67.9-17.5178.4-75.6-174.9-56.100114
1423M32.5Very low49.4Very low175 Ų175117.5 Ų117.586%0.86259%0.594SS**THydrogen-bonded Turntrans-86.8-4.9170.3-73.8-166.172.600114.4L1421L1421-M1423 PolarHBondContact O-N 3.01Å
1424I32.8Very low47.3Very low119 Ų119120.1 Ų120.161%0.6161%0.61SS**SBendtrans-104.51.2-178.9-62.2175.8000111L1421L1421-I1424 HydrophobicContact CD2-CB 4.35Å; L1421-I1424 PolarHBondContact O-N 3.29Å
1425Q25.1Very low45.1Very low160 Ų160121.5 Ų121.575%0.74862%0.62SS**SBendtrans-119.732.1-175.4-156169.9-1300113.4
1426W26.6Very low42.3Very low230 Ų230122.1 Ų122.187%0.87162%0.622SS**SBendtrans-123.4-13.5171.9-85.270.6000114.4F1428W1426-F1428 PolarHBondContact O-N 3.47Å
1427D26.6Very low39.3Very low158 Ų158130.3 Ų130.385%0.84566%0.664SS**  trans-9267.8167.2-74.8-38.6000110.9
1428F26.3Very low36.3Very low205 Ų205138.8 Ų138.890%0.89970%0.704SS**  trans-14369163.8-119.5-77000109.9W1426W1426-F1428 PolarHBondContact O-N 3.47Å
1429S28.2Very low33.7Very low185 Ų185144.6 Ų144.6100%1.29473%0.732SS**  trans-103.70159.6-178.50000110.4

Retrieved 1,429 of 1,429 residues in 2254.4 ms (Link to these results)

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