A0A3Q0KF11_SCHMA Loading...

sphingosine N-acyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KF11, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 409 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
1M58.7Low82.1Confident185 Ų185102.9 Ų102.991%0.91150%0.496SS*.  0-48.30-155.9168.8177.400112.1S3 F4 I5M1-S3 PolarHBondContact O-N 2.83Å; M1-F4 PolarHBondContact O-N 3.34Å; M1-F4 VanDerWaalsContact O-N 3.16Å; M1-I5 HydrophobicContact CE-CD1 4.34Å; M1-I5 HydrophobicContact CG-CD1 4.02Å; M1-I5 PolarHBondContact O-N 3.06Å
2H69.7Low82.9Confident142 Ų14294.5 Ų94.566%0.65746%0.455SS*.Hα-helixtrans-54.3-49.2178-170.7-87000113.7F4 I5 W6H2-F4 VanDerWaalsContact C-N 3.28Å; H2-F4 PolarHBondContact O-N 3.29Å; H2-I5 PolarHBondContact O-N 3.35Å; H2-W6 AromaticContact CD2-CD1 3.54Å; H2-W6 AromaticContact CD2-NE1 3.75Å; H2-W6 AromaticContact CE1-CD1 3.41Å; H2-W6 VanDerWaalsContact CE1-CD1 3.41Å; H2-W6 AromaticContact CE1-NE1 4Å; H2-W6 AromaticContact CG-CD1 3.76Å; H2-W6 AromaticContact ND1-CD1 3.68Å; H2-W6 AromaticContact NE2-CD1 3.31Å; H2-W6 VanDerWaalsContact NE2-CD1 3.31Å; H2-W6 AromaticContact NE2-NE1 3.46Å; H2-W6 PolarHBondContact NE2-NE1 3.46Å; H2-W6 WeakPolarHBondContact O-CB 3.4Å; H2-W6 VanDerWaalsContact O-CD1 3.23Å; H2-W6 PolarHBondContact O-N 3.21Å
3S73.5Confident83.5Confident98 Ų9887.7 Ų87.769%0.68542%0.423SS*.Hα-helixtrans-64.2-29.1178.555.20000114.3M1 N7M1-S3 PolarHBondContact O-N 2.83Å; S3-N7 PolarHBondContact O-N 2.98Å
4F79.9Confident83.9Confident169 Ų16988 Ų8874%0.74144%0.436SS*.Hα-helixtrans-73.6-46.7177.4178.6-98.8000111.1M1 H2 W6M1-F4 PolarHBondContact O-N 3.34Å; M1-F4 VanDerWaalsContact O-N 3.16Å; H2-F4 VanDerWaalsContact C-N 3.28Å; H2-F4 PolarHBondContact O-N 3.29Å; F4-W6 VanDerWaalsContact C-N 3.34Å
5I82Confident84.1Confident79 Ų7993 Ų9341%0.40547%0.465SS..Hα-helixtrans-63.8-42.9177.8-66.7170.7000110.2M1 H2 N7 W11M1-I5 HydrophobicContact CE-CD1 4.34Å; M1-I5 HydrophobicContact CG-CD1 4.02Å; M1-I5 PolarHBondContact O-N 3.06Å; H2-I5 PolarHBondContact O-N 3.35Å; I5-N7 VanDerWaalsContact C-N 3.32Å; I5-N7 PolarHBondContact O-N 3.48Å; I5-W11 PolarHBondContact O-NE1 3.06Å
6W84.3Confident84.5Confident51 Ų5188.1 Ų88.119%0.19344%0.441CS..THydrogen-bonded Turntrans-93.628.2-175.9-65.4109.2000114H2 F4 E8 W18 L33 I221H2-W6 AromaticContact CD2-CD1 3.54Å; H2-W6 AromaticContact CD2-NE1 3.75Å; H2-W6 AromaticContact CE1-CD1 3.41Å; H2-W6 VanDerWaalsContact CE1-CD1 3.41Å; H2-W6 AromaticContact CE1-NE1 4Å; H2-W6 AromaticContact CG-CD1 3.76Å; H2-W6 AromaticContact ND1-CD1 3.68Å; H2-W6 AromaticContact NE2-CD1 3.31Å; H2-W6 VanDerWaalsContact NE2-CD1 3.31Å; H2-W6 AromaticContact NE2-NE1 3.46Å; H2-W6 PolarHBondContact NE2-NE1 3.46Å; H2-W6 WeakPolarHBondContact O-CB 3.4Å; H2-W6 VanDerWaalsContact O-CD1 3.23Å; H2-W6 PolarHBondContact O-N 3.21Å; F4-W6 VanDerWaalsContact C-N 3.34Å; W6-E8 PolarHBondContact O-N 3.28Å; W6-W18 HydrophobicContact CE3-CH2 4.11Å; W6-W18 AromaticContact CE3-CZ2 3.63Å; W6-W18 HydrophobicContact CE3-CZ2 3.63Å; W6-W18 HydrophobicContact CZ3-CH2 4.02Å; W6-W18 HydrophobicContact CZ3-CZ2 4.02Å; W6-W18 PolarHBondContact O-NE1 2.58Å; W6-L33 HydrophobicContact CH2-CB 3.75Å; W6-L33 HydrophobicContact CH2-CD2 4.34Å; W6-L33 HydrophobicContact CH2-CG 4.47Å; W6-L33 HydrophobicContact CZ2-CB 3.69Å; W6-L33 HydrophobicContact CZ2-CD2 3.69Å; W6-L33 HydrophobicContact CZ2-CG 4.23Å; W6-I221 HydrophobicContact CH2-CD1 4.47Å; W6-I221 HydrophobicContact CH2-CG2 4.25Å; W6-I221 HydrophobicContact CZ3-CG2 3.84Å
7N89.9Confident84.9Confident71 Ų7186.1 Ų86.138%0.3844%0.435SS..  trans-62119.8177.8-174.7-17.5000110.9S3 I5 K9 F10 W11S3-N7 PolarHBondContact O-N 2.98Å; I5-N7 VanDerWaalsContact C-N 3.32Å; I5-N7 PolarHBondContact O-N 3.48Å; N7-K9 VanDerWaalsContact C-N 3.26Å; N7-K9 PolarHBondContact O-N 2.95Å; N7-K9 PolarHBondContact OD1-N 3.16Å; N7-F10 HydrophobicContact CB-CB 4.45Å; N7-F10 WeakPolarHBondContact O-CB 3.39Å; N7-F10 PolarHBondContact O-N 3.48Å; N7-W11 PolarHBondContact O-N 2.83Å
8E90.7Very high85.1Confident73 Ų7383.6 Ų83.634%0.34142%0.419SS..Hα-helixtrans-56.7-38.8-178.9-65.9-178.6156.400112.3W6 F10 W11 L12 T17 W18W6-E8 PolarHBondContact O-N 3.28Å; E8-F10 PolarHBondContact O-N 3.32Å; E8-F10 VanDerWaalsContact O-N 3.15Å; E8-W11 PolarHBondContact O-N 2.96Å; E8-L12 HydrophobicContact CG-CD1 4.39Å; E8-L12 WeakPolarHBondContact O-CA 3Å; E8-L12 WeakPolarHBondContact O-CB 3.42Å; E8-L12 PolarHBondContact O-N 3.14Å; E8-T17 WeakPolarHBondContact OE1-CA 3.24Å; E8-T17 WeakPolarHBondContact OE1-CB 3.32Å; E8-W18 VanDerWaalsContact CG-CD1 3.41Å; E8-W18 HydrophobicContact CG-CG 4.27Å; E8-W18 PolarHBondContact OE1-N 3.29Å
9K91.1Very high85.3Confident173 Ų17384.6 Ų84.675%0.75243%0.426SS*.Hα-helixtrans-63.6-22.8178.9-64.8-174.4178.8-178.30113.7N7 P296N7-K9 VanDerWaalsContact C-N 3.26Å; N7-K9 PolarHBondContact O-N 2.95Å; N7-K9 PolarHBondContact OD1-N 3.16Å; K9-P296 VanDerWaalsContact O-CD 3.26Å; K9-P296 WeakPolarHBondContact O-CD 3.29Å
10F91.8Very high85.5Confident68 Ų6882.1 Ų82.130%0.29841%0.414SS..Hα-helixtrans-82.6-46.2175.8177.3-88000110.8N7 E8 P296 A297 I300N7-F10 HydrophobicContact CB-CB 4.45Å; N7-F10 WeakPolarHBondContact O-CB 3.39Å; N7-F10 PolarHBondContact O-N 3.48Å; E8-F10 PolarHBondContact O-N 3.32Å; E8-F10 VanDerWaalsContact O-N 3.15Å; F10-P296 HydrophobicContact CD2-CB 3.44Å; F10-P296 VanDerWaalsContact CD2-CB 3.44Å; F10-P296 HydrophobicContact CD2-CG 4.11Å; F10-P296 HydrophobicContact CE2-CB 3.7Å; F10-P296 HydrophobicContact CG-CB 4.12Å; F10-A297 HydrophobicContact CD1-CB 4.24Å; F10-A297 HydrophobicContact CE1-CB 4.05Å; F10-A297 WeakPolarHBondContact O-CB 3.32Å; F10-A297 PolarHBondContact O-N 3.39Å; F10-I300 HydrophobicContact CE2-CD1 4.01Å; F10-I300 HydrophobicContact CZ-CD1 3.61Å
11W91.3Very high85.6Confident23 Ų2378.5 Ų78.59%0.08740%0.396CS..Hα-helixtrans-91.7-27.9-168.3-71.7104.3000115.4I5 N7 E8 W18 F218 I221 T222 Y295 A297I5-W11 PolarHBondContact O-NE1 3.06Å; N7-W11 PolarHBondContact O-N 2.83Å; E8-W11 PolarHBondContact O-N 2.96Å; W11-W18 HydrophobicContact CB-CH2 3.7Å; W11-W18 HydrophobicContact CB-CZ2 3.34Å; W11-W18 AromaticContact CD1-CZ2 3.76Å; W11-W18 HydrophobicContact CD2-CZ2 4.44Å; W11-W18 HydrophobicContact CG-CH2 4.03Å; W11-W18 AromaticContact CG-CZ2 3.56Å; W11-W18 HydrophobicContact CG-CZ2 3.56Å; W11-F218 HydrophobicContact CH2-CD1 4.37Å; W11-F218 HydrophobicContact CH2-CD2 4.42Å; W11-F218 HydrophobicContact CH2-CE1 4.02Å; W11-F218 HydrophobicContact CH2-CE2 4.07Å; W11-F218 AromaticContact CH2-CZ 3.86Å; W11-F218 HydrophobicContact CH2-CZ 3.86Å; W11-F218 AromaticContact CZ3-CD1 3.87Å; W11-F218 HydrophobicContact CZ3-CD1 3.87Å; W11-F218 HydrophobicContact CZ3-CD2 4.34Å; W11-F218 AromaticContact CZ3-CE1 3.93Å; W11-F218 HydrophobicContact CZ3-CE1 3.93Å; W11-F218 HydrophobicContact CZ3-CE2 4.39Å; W11-F218 HydrophobicContact CZ3-CG 4.08Å; W11-F218 HydrophobicContact CZ3-CZ 4.19Å; W11-I221 HydrophobicContact CE3-CG2 4.48Å; W11-T222 HydrophobicContact CE3-CG2 3.76Å; W11-T222 HydrophobicContact CZ3-CG2 4.44Å; W11-T222 WeakPolarHBondContact O-CG2 3.27Å; W11-Y295 WeakPolarHBondContact O-CE2 3.48Å; W11-A297 HydrophobicContact CD2-CB 4.41Å; W11-A297 HydrophobicContact CE3-CB 3.78Å; W11-A297 HydrophobicContact CZ3-CB 4.31Å
12L92.1Very high86.9Confident2 Ų275.4 Ų75.41%0.0138%0.377CS..SBendtrans-126.6153.3-167.1-59.4174000110.1E8 V16 W18 M21E8-L12 HydrophobicContact CG-CD1 4.39Å; E8-L12 WeakPolarHBondContact O-CA 3Å; E8-L12 WeakPolarHBondContact O-CB 3.42Å; E8-L12 PolarHBondContact O-N 3.14Å; L12-V16 HydrophobicContact CB-CB 4.26Å; L12-V16 HydrophobicContact CB-CG1 4.29Å; L12-V16 HydrophobicContact CD1-CG1 4.22Å; L12-V16 HydrophobicContact CD2-CG1 4.28Å; L12-V16 HydrophobicContact CG-CG1 4.5Å; L12-W18 HydrophobicContact CD1-CD2 3.74Å; L12-W18 HydrophobicContact CD1-CE3 3.91Å; L12-W18 HydrophobicContact CD1-CG 4.16Å; L12-W18 HydrophobicContact CD1-CH2 4.43Å; L12-W18 HydrophobicContact CD1-CZ2 4.29Å; L12-W18 HydrophobicContact CD1-CZ3 4.25Å; L12-W18 HydrophobicContact CD2-CH2 4.19Å; L12-W18 HydrophobicContact CD2-CZ3 4.09Å; L12-W18 HydrophobicContact CG-CH2 4.27Å; L12-W18 HydrophobicContact CG-CZ2 4.29Å; L12-W18 HydrophobicContact CG-CZ3 4.41Å; L12-M21 HydrophobicContact CD1-CG 4.3Å; L12-M21 HydrophobicContact CD2-CE 4.42Å; L12-M21 HydrophobicContact CD2-CG 4.17Å; L12-M21 HydrophobicContact CD2-SD 4.42Å
13P91.2Very high87.7Confident6 Ų675.1 Ų75.14%0.03938%0.376CS..  trans-71.2169.3174.333.4-38.2000111.9N15 V16 Y166 N292 Y295P13-N15 PolarHBondContact O-N 3.39Å; P13-V16 HydrophobicContact CG-CB 3.99Å; P13-V16 HydrophobicContact CG-CG2 3.62Å; P13-V16 PolarHBondContact O-N 2.98Å; P13-Y166 HydrophobicContact CG-CE1 3.87Å; P13-N292 HydrophobicContact CB-CB 3.73Å; P13-N292 HydrophobicContact CG-CB 4.36Å; P13-Y295 HydrophobicContact CB-CD1 3.88Å; P13-Y295 HydrophobicContact CB-CE1 3.71Å; P13-Y295 HydrophobicContact CG-CE1 4.3Å
14P88.1Confident88.2Confident92 Ų9271.3 Ų71.360%0.59735%0.348SS*.THydrogen-bonded Turntrans-53.3140.3174.3-23.634.3000111.6V16 N292P14-V16 VanDerWaalsContact C-N 3.26Å; P14-V16 PolarHBondContact O-N 3.03Å; P14-N292 WeakPolarHBondContact CD-O 3.37Å
15N88.1Confident88.2Confident163 Ų16363.4 Ų63.487%0.87231%0.313SS*.THydrogen-bonded Turntrans69.68.8-179.9-45.9-43.6000116.3P13P13-N15 PolarHBondContact O-N 3.39Å
16V89.9Confident88.1Confident15 Ų1564.4 Ų64.49%0.09133%0.327CS..  trans-110.1125.6172.8-179.10000109.5L12 P13 P14 L20 M21 P167L12-V16 HydrophobicContact CB-CB 4.26Å; L12-V16 HydrophobicContact CB-CG1 4.29Å; L12-V16 HydrophobicContact CD1-CG1 4.22Å; L12-V16 HydrophobicContact CD2-CG1 4.28Å; L12-V16 HydrophobicContact CG-CG1 4.5Å; P13-V16 HydrophobicContact CG-CB 3.99Å; P13-V16 HydrophobicContact CG-CG2 3.62Å; P13-V16 PolarHBondContact O-N 2.98Å; P14-V16 VanDerWaalsContact C-N 3.26Å; P14-V16 PolarHBondContact O-N 3.03Å; V16-L20 HydrophobicContact CG1-CD2 4.38Å; V16-M21 HydrophobicContact CG1-CG 4.02Å; V16-M21 HydrophobicContact CG1-SD 4.16Å; V16-P167 HydrophobicContact CG1-CB 4.17Å; V16-P167 HydrophobicContact CG1-CG 3.86Å; V16-P167 HydrophobicContact CG2-CG 3.75Å
17T91Very high87.9Confident54 Ų5465.7 Ų65.733%0.33135%0.349SS..  trans-110.8160.5179.962.30000111.1E8 D19 L20 M21E8-T17 WeakPolarHBondContact OE1-CA 3.24Å; E8-T17 WeakPolarHBondContact OE1-CB 3.32Å; T17-D19 PolarHBondContact O-N 2.88Å; T17-L20 PolarHBondContact O-N 3.2Å; T17-L20 WeakPolarHBondContact OG1-CB 3.47Å; T17-L20 PolarHBondContact OG1-N 3.41Å; T17-L20 VanDerWaalsContact OG1-N 3.15Å; T17-M21 WeakPolarHBondContact O-CG 3.48Å; T17-M21 PolarHBondContact O-N 3.23Å
18W89.1Confident87.5Confident41 Ų4164 Ų6416%0.15535%0.348CS..Hα-helixtrans-63.7-29.4173.6-71.8119.7000112.7W6 E8 W11 L12 M21 K22 I221W6-W18 HydrophobicContact CE3-CH2 4.11Å; W6-W18 AromaticContact CE3-CZ2 3.63Å; W6-W18 HydrophobicContact CE3-CZ2 3.63Å; W6-W18 HydrophobicContact CZ3-CH2 4.02Å; W6-W18 HydrophobicContact CZ3-CZ2 4.02Å; W6-W18 PolarHBondContact O-NE1 2.58Å; E8-W18 VanDerWaalsContact CG-CD1 3.41Å; E8-W18 HydrophobicContact CG-CG 4.27Å; E8-W18 PolarHBondContact OE1-N 3.29Å; W11-W18 HydrophobicContact CB-CH2 3.7Å; W11-W18 HydrophobicContact CB-CZ2 3.34Å; W11-W18 AromaticContact CD1-CZ2 3.76Å; W11-W18 HydrophobicContact CD2-CZ2 4.44Å; W11-W18 HydrophobicContact CG-CH2 4.03Å; W11-W18 AromaticContact CG-CZ2 3.56Å; W11-W18 HydrophobicContact CG-CZ2 3.56Å; L12-W18 HydrophobicContact CD1-CD2 3.74Å; L12-W18 HydrophobicContact CD1-CE3 3.91Å; L12-W18 HydrophobicContact CD1-CG 4.16Å; L12-W18 HydrophobicContact CD1-CH2 4.43Å; L12-W18 HydrophobicContact CD1-CZ2 4.29Å; L12-W18 HydrophobicContact CD1-CZ3 4.25Å; L12-W18 HydrophobicContact CD2-CH2 4.19Å; L12-W18 HydrophobicContact CD2-CZ3 4.09Å; L12-W18 HydrophobicContact CG-CH2 4.27Å; L12-W18 HydrophobicContact CG-CZ2 4.29Å; L12-W18 HydrophobicContact CG-CZ3 4.41Å; W18-M21 HydrophobicContact CE3-CB 4.39Å; W18-M21 HydrophobicContact CE3-CG 4.47Å; W18-M21 WeakPolarHBondContact O-CB 3.49Å; W18-M21 PolarHBondContact O-N 3.23Å; W18-K22 WeakPolarHBondContact O-CG 3.27Å; W18-K22 PolarHBondContact O-N 3.42Å; W18-I221 HydrophobicContact CH2-CG2 3.95Å; W18-I221 HydrophobicContact CZ3-CG2 4.35Å
19D88.6Confident86.9Confident103 Ų10361.7 Ų61.755%0.55134%0.339SS*.Hα-helixtrans-72.3-39.5178.4-66.4-28.4000111.5T17 M21 K22 E23T17-D19 PolarHBondContact O-N 2.88Å; D19-M21 VanDerWaalsContact C-N 3.3Å; D19-M21 PolarHBondContact O-N 3.16Å; D19-K22 PolarHBondContact O-N 3.22Å; D19-K22 IonicContact OD1-NZ 2.86Å; D19-K22 PolarHBondContact OD1-NZ 3.19Å; D19-E23 PolarHBondContact O-N 3.16Å
20L88.4Confident86.2Confident34 Ų3455.4 Ų55.418%0.17832%0.316CS..Hα-helixtrans-59.5-43.3169.2176.562.7000111V16 T17 K22 E23 I24 Y168V16-L20 HydrophobicContact CG1-CD2 4.38Å; T17-L20 PolarHBondContact O-N 3.2Å; T17-L20 WeakPolarHBondContact OG1-CB 3.47Å; T17-L20 PolarHBondContact OG1-N 3.41Å; T17-L20 VanDerWaalsContact OG1-N 3.15Å; L20-K22 PolarHBondContact O-N 3.31Å; L20-E23 WeakPolarHBondContact O-CB 3.39Å; L20-E23 PolarHBondContact O-N 2.91Å; L20-I24 HydrophobicContact CD1-CD1 4.03Å; L20-I24 HydrophobicContact CD1-CG1 4.22Å; L20-I24 HydrophobicContact CD2-CD1 4.5Å; L20-I24 HydrophobicContact CG-CD1 3.82Å; L20-I24 HydrophobicContact CG-CG1 4.45Å; L20-I24 VanDerWaalsContact O-CG1 3.26Å; L20-I24 WeakPolarHBondContact O-CG1 3.35Å; L20-I24 PolarHBondContact O-N 3Å; L20-Y168 HydrophobicContact CD1-CE1 4.23Å
21M87.5Confident85.1Confident6 Ų652.6 Ų52.63%0.0331%0.305CS..Hα-helixtrans-61.5-42.1176.1-69.8-73.4-68.600111.8L12 V16 T17 W18 D19 E23 N25 P167 N223L12-M21 HydrophobicContact CD1-CG 4.3Å; L12-M21 HydrophobicContact CD2-CE 4.42Å; L12-M21 HydrophobicContact CD2-CG 4.17Å; L12-M21 HydrophobicContact CD2-SD 4.42Å; V16-M21 HydrophobicContact CG1-CG 4.02Å; V16-M21 HydrophobicContact CG1-SD 4.16Å; T17-M21 WeakPolarHBondContact O-CG 3.48Å; T17-M21 PolarHBondContact O-N 3.23Å; W18-M21 HydrophobicContact CE3-CB 4.39Å; W18-M21 HydrophobicContact CE3-CG 4.47Å; W18-M21 WeakPolarHBondContact O-CB 3.49Å; W18-M21 PolarHBondContact O-N 3.23Å; D19-M21 VanDerWaalsContact C-N 3.3Å; D19-M21 PolarHBondContact O-N 3.16Å; M21-E23 VanDerWaalsContact C-N 3.34Å; M21-N25 WeakPolarHBondContact O-CB 3.17Å; M21-N25 VanDerWaalsContact O-CG 3.28Å; M21-N25 PolarHBondContact O-N 3.03Å; M21-N25 VanDerWaalsContact O-N 3.09Å; M21-N25 PolarHBondContact O-ND2 2.86Å; M21-P167 HydrophobicContact SD-CB 3.84Å; M21-N223 HydrophobicContact CE-CB 3.41Å; M21-N223 VanDerWaalsContact CE-CB 3.41Å; M21-N223 HydrophobicContact SD-CB 4.4Å
22K86.1Confident84.2Confident121 Ų12153.1 Ų53.153%0.52631%0.312SS..Hα-helixtrans-63.7-40.4175-71.2170.5-158.4154.60111.9W18 D19 L20 N25 S26W18-K22 WeakPolarHBondContact O-CG 3.27Å; W18-K22 PolarHBondContact O-N 3.42Å; D19-K22 PolarHBondContact O-N 3.22Å; D19-K22 IonicContact OD1-NZ 2.86Å; D19-K22 PolarHBondContact OD1-NZ 3.19Å; L20-K22 PolarHBondContact O-N 3.31Å; K22-N25 PolarHBondContact O-N 3.36Å; K22-S26 PolarHBondContact O-N 2.86Å
23E86.9Confident83.2Confident136 Ų13656.4 Ų56.464%0.63633%0.33SS*.Hα-helixtrans-62.4-51.8177.7-174.8-177.217600111.3D19 L20 M21 N25 S26D19-E23 PolarHBondContact O-N 3.16Å; L20-E23 WeakPolarHBondContact O-CB 3.39Å; L20-E23 PolarHBondContact O-N 2.91Å; M21-E23 VanDerWaalsContact C-N 3.34Å; E23-N25 PolarHBondContact O-N 3.46Å; E23-S26 VanDerWaalsContact O-CB 3.29Å; E23-S26 WeakPolarHBondContact O-CB 3.4Å; E23-S26 PolarHBondContact O-N 3.18Å; E23-S26 VanDerWaalsContact O-N 3.07Å; E23-S26 PolarHBondContact O-OG 2.88Å
24I83.6Confident82.4Confident18 Ų1861.3 Ų61.39%0.09236%0.36CS..Hα-helixtrans-53.8-44.9176.6-69.3164.9000110.7L20 S26 P167 Y168L20-I24 HydrophobicContact CD1-CD1 4.03Å; L20-I24 HydrophobicContact CD1-CG1 4.22Å; L20-I24 HydrophobicContact CD2-CD1 4.5Å; L20-I24 HydrophobicContact CG-CD1 3.82Å; L20-I24 HydrophobicContact CG-CG1 4.45Å; L20-I24 VanDerWaalsContact O-CG1 3.26Å; L20-I24 WeakPolarHBondContact O-CG1 3.35Å; L20-I24 PolarHBondContact O-N 3Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 3.26Å; I24-P167 HydrophobicContact CD1-CB 4.45Å; I24-P167 HydrophobicContact CD1-CG 4.07Å; I24-Y168 HydrophobicContact CD1-CD1 3.56Å; I24-Y168 HydrophobicContact CD1-CE1 3.87Å; I24-Y168 HydrophobicContact CD1-CG 4.17Å; I24-Y168 HydrophobicContact CG1-CD1 3.7Å; I24-Y168 HydrophobicContact CG1-CE1 4.15Å
25N80.3Confident82Confident3 Ų361.4 Ų61.42%0.01635%0.35CS..G310 helixtrans-84.8-0.8-174.8-62.1-58000114.2M21 K22 E23 A27 G28 P31M21-N25 WeakPolarHBondContact O-CB 3.17Å; M21-N25 VanDerWaalsContact O-CG 3.28Å; M21-N25 PolarHBondContact O-N 3.03Å; M21-N25 VanDerWaalsContact O-N 3.09Å; M21-N25 PolarHBondContact O-ND2 2.86Å; K22-N25 PolarHBondContact O-N 3.36Å; E23-N25 PolarHBondContact O-N 3.46Å; N25-A27 PolarHBondContact O-N 3.03Å; N25-G28 CarbonylContact O-C 3.4Å; N25-G28 PolarHBondContact O-N 3.36Å; N25-G28 VanDerWaalsContact O-O 3.12Å; N25-P31 VanDerWaalsContact CB-CD 3.46Å; N25-P31 WeakPolarHBondContact ND2-CD 3.4Å; N25-P31 WeakPolarHBondContact ND2-CG 3.45Å; N25-P31 WeakPolarHBondContact OD1-CD 3.22Å
26S79.4Confident81.6Confident99 Ų9953.8 Ų53.869%0.69231%0.31SS*.G310 helixtrans-65.2-25170.271.50000112.2K22 E23 I24 G28K22-S26 PolarHBondContact O-N 2.86Å; E23-S26 VanDerWaalsContact O-CB 3.29Å; E23-S26 WeakPolarHBondContact O-CB 3.4Å; E23-S26 PolarHBondContact O-N 3.18Å; E23-S26 VanDerWaalsContact O-N 3.07Å; E23-S26 PolarHBondContact O-OG 2.88Å; I24-S26 VanDerWaalsContact C-N 3.29Å; I24-S26 PolarHBondContact O-N 3.26Å; S26-G28 PolarHBondContact O-N 3.32Å
27A80.5Confident81.3Confident79 Ų7957 Ų5765%0.65333%0.325SS*.G310 helixtrans-75.1-8.7175.200000113.8N25 V170N25-A27 PolarHBondContact O-N 3.03Å; A27-V170 HydrophobicContact CB-CG1 4.25Å; A27-V170 HydrophobicContact CB-CG2 4.3Å
28G81.9Confident81.2Confident34 Ų3455.6 Ų55.635%0.35132%0.316SS..SBendtrans-149.8-144.4-176.100000112.2N25 S26N25-G28 CarbonylContact O-C 3.4Å; N25-G28 PolarHBondContact O-N 3.36Å; N25-G28 VanDerWaalsContact O-O 3.12Å; S26-G28 PolarHBondContact O-N 3.32Å
29V78.9Confident81.4Confident26 Ų2654.2 Ų54.216%0.15831%0.312CS..  trans-84.1127.8171.5-177.60000108.9P31 L171 P173 H176V29-P31 WeakPolarHBondContact O-CD 3.31Å; V29-L171 HydrophobicContact CB-CD2 3.91Å; V29-L171 HydrophobicContact CB-CG 4.13Å; V29-L171 HydrophobicContact CG1-CD2 4.13Å; V29-L171 PolarHBondContact N-O 2.89Å; V29-P173 HydrophobicContact CG2-CG 4.36Å; V29-H176 HydrophobicContact CB-CB 4.29Å; V29-H176 HydrophobicContact CG1-CB 4.31Å; V29-H176 HydrophobicContact CG2-CB 4.07Å
30S76.3Confident81.5Confident40 Ų4054 Ų5428%0.2831%0.311SS..  trans-72.2110.2175.1-171.50000112.2S32 K35S30-S32 PolarHBondContact O-N 3.36Å; S30-S32 PolarHBondContact O-OG 3.44Å; S30-K35 WeakPolarHBondContact O-CB 3.32Å; S30-K35 WeakPolarHBondContact O-CG 3.35Å
31P67.3Low81.7Confident9 Ų960 Ų606%0.05833%0.332CS..  trans-72.983.3175.232.4-30.1000109.1N25 V29 L171 Y220N25-P31 VanDerWaalsContact CB-CD 3.46Å; N25-P31 WeakPolarHBondContact ND2-CD 3.4Å; N25-P31 WeakPolarHBondContact ND2-CG 3.45Å; N25-P31 WeakPolarHBondContact OD1-CD 3.22Å; V29-P31 WeakPolarHBondContact O-CD 3.31Å; P31-L171 HydrophobicContact CB-CD2 4.18Å; P31-Y220 HydrophobicContact CB-CD1 4.1Å; P31-Y220 HydrophobicContact CB-CE1 3.78Å; P31-Y220 HydrophobicContact CB-CE2 4.28Å; P31-Y220 HydrophobicContact CB-CG 4.49Å; P31-Y220 WeakPolarHBondContact CB-O 3.44Å
32S73.6Confident81.9Confident34 Ų3460 Ų6024%0.23833%0.333CS..  trans-113.8159.2177.152.70000109S30 T34 K35 S36S30-S32 PolarHBondContact O-N 3.36Å; S30-S32 PolarHBondContact O-OG 3.44Å; S32-T34 PolarHBondContact O-N 3.25Å; S32-T34 PolarHBondContact OG-OG1 3.24Å; S32-K35 PolarHBondContact O-N 3.07Å; S32-K35 WeakPolarHBondContact OG-CG 3.39Å; S32-K35 PolarHBondContact OG-N 2.76Å; S32-S36 PolarHBondContact O-N 3.19Å
33L71Confident82.3Confident72 Ų7255.6 Ų55.638%0.37732%0.316SS..Hα-helixtrans-56.6-36.2175.5-173.166.7000111.5W6 S36 M37 I221W6-L33 HydrophobicContact CH2-CB 3.75Å; W6-L33 HydrophobicContact CH2-CD2 4.34Å; W6-L33 HydrophobicContact CH2-CG 4.47Å; W6-L33 HydrophobicContact CZ2-CB 3.69Å; W6-L33 HydrophobicContact CZ2-CD2 3.69Å; W6-L33 HydrophobicContact CZ2-CG 4.23Å; L33-S36 PolarHBondContact O-N 3.45Å; L33-S36 PolarHBondContact O-OG 2.83Å; L33-M37 HydrophobicContact CD1-CE 4.04Å; L33-M37 HydrophobicContact CG-CE 4.08Å; L33-M37 PolarHBondContact O-N 3.49Å; L33-I221 HydrophobicContact CD1-CD1 3.99Å
34T74.5Confident82.6Confident109 Ų10952.1 Ų52.167%0.66931%0.31SS*.Hα-helixtrans-63.4-42.5176.347.10000111.9S32 S36 M37S32-T34 PolarHBondContact O-N 3.25Å; S32-T34 PolarHBondContact OG-OG1 3.24Å; T34-S36 VanDerWaalsContact C-N 3.34Å; T34-M37 VanDerWaalsContact O-CB 3.3Å; T34-M37 WeakPolarHBondContact O-CB 3.29Å; T34-M37 PolarHBondContact O-N 3.44Å
35K79Confident83.1Confident93 Ų9355.3 Ų55.340%0.40433%0.331SS..Hα-helixtrans-70-29174.3-71-64.2-170.7175.60113.4S30 S32 M37 D38S30-K35 WeakPolarHBondContact O-CB 3.32Å; S30-K35 WeakPolarHBondContact O-CG 3.35Å; S32-K35 PolarHBondContact O-N 3.07Å; S32-K35 WeakPolarHBondContact OG-CG 3.39Å; S32-K35 PolarHBondContact OG-N 2.76Å; K35-M37 PolarHBondContact O-N 2.87Å; K35-D38 VanDerWaalsContact O-CB 3.26Å; K35-D38 WeakPolarHBondContact O-CB 3.41Å; K35-D38 VanDerWaalsContact O-CG 3.25Å; K35-D38 PolarHBondContact O-N 3.11Å
36S79.2Confident83.8Confident4 Ų456.2 Ų56.23%0.02834%0.335CS..Hα-helixtrans-63.2-20.5172.678.60000113.2S32 L33 T34 D38 C39S32-S36 PolarHBondContact O-N 3.19Å; L33-S36 PolarHBondContact O-N 3.45Å; L33-S36 PolarHBondContact O-OG 2.83Å; T34-S36 VanDerWaalsContact C-N 3.34Å; S36-D38 PolarHBondContact O-N 2.8Å; S36-C39 WeakPolarHBondContact O-CB 3.32Å; S36-C39 PolarHBondContact O-N 3.34Å; S36-C39 VanDerWaalsContact O-N 3.15Å; S36-C39 PolarHBondContact O-SG 2.96Å
37M84.9Confident84.4Confident82 Ų8254 Ų5440%0.40432%0.317SS..THydrogen-bonded Turntrans-67.3-11.2173.8-59.7-63.8135.300113.1L33 T34 K35 C39 L40L33-M37 HydrophobicContact CD1-CE 4.04Å; L33-M37 HydrophobicContact CG-CE 4.08Å; L33-M37 PolarHBondContact O-N 3.49Å; T34-M37 VanDerWaalsContact O-CB 3.3Å; T34-M37 WeakPolarHBondContact O-CB 3.29Å; T34-M37 PolarHBondContact O-N 3.44Å; K35-M37 PolarHBondContact O-N 2.87Å; M37-C39 PolarHBondContact O-N 3.39Å; M37-C39 VanDerWaalsContact O-N 3.12Å; M37-L40 WeakPolarHBondContact O-CB 3.12Å; M37-L40 PolarHBondContact O-N 2.84Å; M37-L40 HydrophobicContact SD-CD1 3.97Å
38D88.7Confident85Confident25 Ų2553.1 Ų53.113%0.13431%0.311CS..Hα-helixtrans-58.3-23.5170.1-69.4-15.1000111.9K35 S36 L40 Y41 A42 H176 W177 M180K35-D38 VanDerWaalsContact O-CB 3.26Å; K35-D38 WeakPolarHBondContact O-CB 3.41Å; K35-D38 VanDerWaalsContact O-CG 3.25Å; K35-D38 PolarHBondContact O-N 3.11Å; S36-D38 PolarHBondContact O-N 2.8Å; D38-L40 PolarHBondContact O-N 3.29Å; D38-Y41 PolarHBondContact O-N 3.43Å; D38-A42 PolarHBondContact O-N 2.99Å; D38-A42 VanDerWaalsContact O-N 3.13Å; D38-H176 IonicContact OD2-CE1 3.45Å; D38-H176 PolarHBondContact OD2-CE1 3Å; D38-H176 IonicContact OD2-NE2 2.76Å; D38-H176 PolarHBondContact OD2-NE2 3.41Å; D38-W177 HydrophobicContact CB-CZ3 4.46Å; D38-M180 HydrophobicContact CB-CB 4.31Å; D38-M180 HydrophobicContact CB-CG 3.77Å; D38-M180 HydrophobicContact CB-SD 4.03Å
39C92Very high85.7Confident12 Ų1255 Ų558%0.08131%0.312CS..Hα-helixtrans-60.8-28.8171.475.60000113.3S36 M37 A42 V43 M180 L183S36-C39 WeakPolarHBondContact O-CB 3.32Å; S36-C39 PolarHBondContact O-N 3.34Å; S36-C39 VanDerWaalsContact O-N 3.15Å; S36-C39 PolarHBondContact O-SG 2.96Å; M37-C39 PolarHBondContact O-N 3.39Å; M37-C39 VanDerWaalsContact O-N 3.12Å; C39-A42 CarbonylContact O-C 3.6Å; C39-A42 WeakPolarHBondContact O-CB 3.21Å; C39-A42 PolarHBondContact O-N 2.94Å; C39-V43 VanDerWaalsContact O-CG2 3.32Å; C39-V43 WeakPolarHBondContact O-CG2 3.48Å; C39-V43 PolarHBondContact O-N 2.75Å; C39-M180 HydrophobicContact CB-SD 4.36Å; C39-L183 HydrophobicContact CB-CB 4.05Å; C39-L183 HydrophobicContact CB-CD2 3.94Å; C39-L183 HydrophobicContact CB-CG 3.83Å
40L91.8Very high86.5Confident99 Ų9956.4 Ų56.452%0.51831%0.314SS..Hα-helixtrans-70.2-36.9177.4-61.5179.4000111.4M37 D38 A42 V43 A44M37-L40 WeakPolarHBondContact O-CB 3.12Å; M37-L40 PolarHBondContact O-N 2.84Å; M37-L40 HydrophobicContact SD-CD1 3.97Å; D38-L40 PolarHBondContact O-N 3.29Å; L40-A42 VanDerWaalsContact C-N 3.31Å; L40-V43 WeakPolarHBondContact O-CB 3.18Å; L40-V43 PolarHBondContact O-N 3.31Å; L40-A44 PolarHBondContact O-N 2.93Å
41Y91.8Very high87.3Confident158 Ų15862.2 Ų62.262%0.6233%0.331SS*.Hα-helixtrans-63-42.5170.2-61.3-59.9000110.4D38 V43 A44 V45D38-Y41 PolarHBondContact O-N 3.43Å; Y41-V43 VanDerWaalsContact C-N 3.34Å; Y41-V43 PolarHBondContact O-N 2.67Å; Y41-A44 PolarHBondContact O-N 3.45Å; Y41-V45 WeakPolarHBondContact O-CG2 3.19Å; Y41-V45 PolarHBondContact O-N 3.12Å
42A92.8Very high88.7Confident7 Ų768.9 Ų68.96%0.05836%0.356CS..Hα-helixtrans-61.7-39.7174.800000112.5D38 C39 L40 A44 V45 L46 V181D38-A42 PolarHBondContact O-N 2.99Å; D38-A42 VanDerWaalsContact O-N 3.13Å; C39-A42 CarbonylContact O-C 3.6Å; C39-A42 WeakPolarHBondContact O-CB 3.21Å; C39-A42 PolarHBondContact O-N 2.94Å; L40-A42 VanDerWaalsContact C-N 3.31Å; A42-A44 PolarHBondContact O-N 3.04Å; A42-V45 PolarHBondContact O-N 2.92Å; A42-L46 WeakPolarHBondContact O-CB 3.14Å; A42-L46 WeakPolarHBondContact O-CG 3.46Å; A42-L46 PolarHBondContact O-N 2.83Å; A42-V181 HydrophobicContact CB-CG2 4.27Å
43V93.8Very high89.9Confident29 Ų2968.8 Ų68.818%0.17635%0.353CS..Hα-helixtrans-57.6-49.5173.7170.10000110.9C39 L40 Y41 T47 G184 A188C39-V43 VanDerWaalsContact O-CG2 3.32Å; C39-V43 WeakPolarHBondContact O-CG2 3.48Å; C39-V43 PolarHBondContact O-N 2.75Å; L40-V43 WeakPolarHBondContact O-CB 3.18Å; L40-V43 PolarHBondContact O-N 3.31Å; Y41-V43 VanDerWaalsContact C-N 3.34Å; Y41-V43 PolarHBondContact O-N 2.67Å; V43-T47 VanDerWaalsContact O-CB 3.28Å; V43-T47 WeakPolarHBondContact O-CB 3.47Å; V43-T47 PolarHBondContact O-N 3.47Å; V43-T47 PolarHBondContact O-OG1 2.93Å; V43-G184 VanDerWaalsContact CG2-O 3.24Å; V43-G184 WeakPolarHBondContact CG2-O 3.4Å; V43-A188 HydrophobicContact CG1-CB 4.14Å; V43-A188 HydrophobicContact CG2-CB 4.27Å
44A93Very high91.1Very high62 Ų6267.3 Ų67.351%0.51234%0.344SS..Hα-helixtrans-61.6-47.9-178.700000111.4L40 Y41 A42 T47 A48L40-A44 PolarHBondContact O-N 2.93Å; Y41-A44 PolarHBondContact O-N 3.45Å; A42-A44 PolarHBondContact O-N 3.04Å; A44-T47 PolarHBondContact O-N 3.26Å; A44-A48 PolarHBondContact O-N 3.36Å
45V94.3Very high92Very high85 Ų8565.4 Ų65.452%0.51533%0.327SS..Hα-helixtrans-64.1-48.6179.11730000111.4Y41 A42 T47 A48 I49Y41-V45 WeakPolarHBondContact O-CG2 3.19Å; Y41-V45 PolarHBondContact O-N 3.12Å; A42-V45 PolarHBondContact O-N 2.92Å; V45-T47 VanDerWaalsContact C-N 3.29Å; V45-T47 PolarHBondContact O-N 3.07Å; V45-A48 PolarHBondContact O-N 3.14Å; V45-I49 HydrophobicContact CG1-CD1 3.74Å; V45-I49 HydrophobicContact CG1-CG1 4.39Å; V45-I49 WeakPolarHBondContact O-CG1 3.46Å; V45-I49 PolarHBondContact O-N 3.47Å
46L94.4Very high92.9Very high23 Ų2363.8 Ų63.812%0.1233%0.328CS..Hα-helixtrans-62.2-36.5178.6-73.5172.2000112A42 I49 R50 W134 Y138 V181A42-L46 WeakPolarHBondContact O-CB 3.14Å; A42-L46 WeakPolarHBondContact O-CG 3.46Å; A42-L46 PolarHBondContact O-N 2.83Å; L46-I49 PolarHBondContact O-N 3.3Å; L46-R50 VanDerWaalsContact O-CB 3.25Å; L46-R50 WeakPolarHBondContact O-CB 3.35Å; L46-R50 PolarHBondContact O-N 2.9Å; L46-W134 HydrophobicContact CD2-CH2 4.27Å; L46-W134 WeakPolarHBondContact O-CH2 3.45Å; L46-Y138 HydrophobicContact CD1-CE2 4.29Å; L46-Y138 HydrophobicContact CD2-CD2 4.24Å; L46-Y138 HydrophobicContact CD2-CE2 4.24Å; L46-V181 HydrophobicContact CD1-CG1 4.14Å; L46-V181 HydrophobicContact CD2-CG1 4.42Å
47T92.1Very high93.8Very high51 Ų5166.9 Ų66.931%0.31335%0.346SS..Hα-helixtrans-67.5-42.2177.1-57.50000111.1V43 A44 V45 R50 Y51V43-T47 VanDerWaalsContact O-CB 3.28Å; V43-T47 WeakPolarHBondContact O-CB 3.47Å; V43-T47 PolarHBondContact O-N 3.47Å; V43-T47 PolarHBondContact O-OG1 2.93Å; A44-T47 PolarHBondContact O-N 3.26Å; V45-T47 VanDerWaalsContact C-N 3.29Å; V45-T47 PolarHBondContact O-N 3.07Å; T47-R50 PolarHBondContact O-N 3.38Å; T47-Y51 WeakPolarHBondContact O-CB 3.3Å; T47-Y51 PolarHBondContact O-N 2.87Å
48A94.4Very high94.4Very high62 Ų6263.6 Ų63.651%0.51233%0.33SS..Hα-helixtrans-62.9-45.317500000111.8A44 V45 Y51 Y52A44-A48 PolarHBondContact O-N 3.36Å; V45-A48 PolarHBondContact O-N 3.14Å; A48-Y51 PolarHBondContact O-N 3.11Å; A48-Y52 WeakPolarHBondContact O-CB 3.39Å; A48-Y52 PolarHBondContact O-N 3.23Å
49I96.1Very high94.8Very high74 Ų7462.7 Ų62.738%0.37933%0.325SS..Hα-helixtrans-62.4-45.9175.8-65.4170.2000110.6V45 L46 Y51 Y52 L53 W134V45-I49 HydrophobicContact CG1-CD1 3.74Å; V45-I49 HydrophobicContact CG1-CG1 4.39Å; V45-I49 WeakPolarHBondContact O-CG1 3.46Å; V45-I49 PolarHBondContact O-N 3.47Å; L46-I49 PolarHBondContact O-N 3.3Å; I49-Y51 VanDerWaalsContact C-N 3.31Å; I49-Y51 PolarHBondContact O-N 2.95Å; I49-Y52 PolarHBondContact O-N 2.91Å; I49-L53 HydrophobicContact CG2-CD1 3.64Å; I49-L53 HydrophobicContact CG2-CG 4.05Å; I49-L53 WeakPolarHBondContact O-CB 3.32Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 3.02Å; I49-W134 HydrophobicContact CG2-CH2 4.46Å; I49-W134 HydrophobicContact CG2-CZ3 4.05Å
50R94.7Very high95.1Very high55 Ų5565 Ų6521%0.20834%0.34CS..Hα-helixtrans-56.4-46.7177.3-177.6179.9-176.4-179.95.5111.1L46 T47 K54 W134 E196L46-R50 VanDerWaalsContact O-CB 3.25Å; L46-R50 WeakPolarHBondContact O-CB 3.35Å; L46-R50 PolarHBondContact O-N 2.9Å; T47-R50 PolarHBondContact O-N 3.38Å; R50-K54 WeakPolarHBondContact O-CB 3.34Å; R50-K54 PolarHBondContact O-N 3.02Å; R50-W134 HydrophobicContact CB-CD2 3.96Å; R50-W134 HydrophobicContact CB-CE3 3.95Å; R50-W134 HydrophobicContact CB-CH2 3.73Å; R50-W134 HydrophobicContact CB-CZ2 3.74Å; R50-W134 HydrophobicContact CB-CZ3 3.84Å; R50-W134 HydrophobicContact CG-CD2 3.66Å; R50-W134 HydrophobicContact CG-CE3 4.05Å; R50-W134 HydrophobicContact CG-CG 3.98Å; R50-W134 HydrophobicContact CG-CH2 4.49Å; R50-W134 HydrophobicContact CG-CZ2 4.17Å; R50-W134 HydrophobicContact CG-CZ3 4.44Å; R50-E196 IonicContact CZ-OE1 3.8Å; R50-E196 IonicContact NH1-OE1 3.86Å; R50-E196 IonicContact NH2-OE1 2.63Å; R50-E196 PolarHBondContact NH2-OE1 3.4Å
51Y93.8Very high95.4Very high161 Ų16163.9 Ų63.963%0.63133%0.332SS*.Hα-helixtrans-63-48.7178.9-178.8-95.2000111.5T47 A48 I49 K54 E55T47-Y51 WeakPolarHBondContact O-CB 3.3Å; T47-Y51 PolarHBondContact O-N 2.87Å; A48-Y51 PolarHBondContact O-N 3.11Å; I49-Y51 VanDerWaalsContact C-N 3.31Å; I49-Y51 PolarHBondContact O-N 2.95Å; Y51-K54 PolarHBondContact O-N 3.1Å; Y51-E55 PolarHBondContact O-N 2.67Å
52Y97.1Very high95.6Very high149 Ų14956.4 Ų56.458%0.58430%0.302SS*.Hα-helixtrans-60.7-49.2179.3174.8-99.8000112.6A48 I49 E55 S56A48-Y52 WeakPolarHBondContact O-CB 3.39Å; A48-Y52 PolarHBondContact O-N 3.23Å; I49-Y52 PolarHBondContact O-N 2.91Å; Y52-E55 PolarHBondContact O-N 3.37Å; Y52-S56 WeakPolarHBondContact CE2-OG 3.45Å; Y52-S56 WeakPolarHBondContact O-CB 3.37Å; Y52-S56 PolarHBondContact O-N 3.21Å; Y52-S56 PolarHBondContact O-OG 3.48Å
53L97.8Very high95.8Very high33 Ų3359.8 Ų59.817%0.17332%0.319CS..Hα-helixtrans-68.1-35.5-179.5-67.5179.7000112.1I49 V57 F58 W134I49-L53 HydrophobicContact CG2-CD1 3.64Å; I49-L53 HydrophobicContact CG2-CG 4.05Å; I49-L53 WeakPolarHBondContact O-CB 3.32Å; I49-L53 WeakPolarHBondContact O-CG 3.46Å; I49-L53 PolarHBondContact O-N 3.02Å; L53-V57 HydrophobicContact CD2-CG2 3.92Å; L53-V57 CarbonylContact O-C 3.57Å; L53-V57 WeakPolarHBondContact O-CA 3.46Å; L53-V57 WeakPolarHBondContact O-CB 2.99Å; L53-V57 PolarHBondContact O-N 3.13Å; L53-F58 HydrophobicContact CB-CD2 4.08Å; L53-F58 HydrophobicContact CB-CE1 4.24Å; L53-F58 HydrophobicContact CB-CE2 3.46Å; L53-F58 VanDerWaalsContact CB-CE2 3.46Å; L53-F58 HydrophobicContact CB-CZ 3.56Å; L53-F58 HydrophobicContact CD1-CE2 4.37Å; L53-F58 HydrophobicContact CD1-CZ 3.84Å; L53-F58 HydrophobicContact CG-CZ 4.3Å; L53-F58 PolarHBondContact O-N 2.79Å; L53-W134 HydrophobicContact CD1-CZ3 4.29Å
54K95.9Very high96Very high40 Ų4062.7 Ų62.717%0.17434%0.341CS..Iπ-helixtrans-54.8-54.9174.3168.6172179.6-83.10111.4R50 Y51 F58 I59 V130 F401R50-K54 WeakPolarHBondContact O-CB 3.34Å; R50-K54 PolarHBondContact O-N 3.02Å; Y51-K54 PolarHBondContact O-N 3.1Å; K54-F58 HydrophobicContact CB-CD2 4.47Å; K54-I59 HydrophobicContact CG-CD1 4.01Å; K54-I59 WeakPolarHBondContact O-CB 3.39Å; K54-I59 VanDerWaalsContact O-CG1 3.31Å; K54-I59 WeakPolarHBondContact O-CG1 3.35Å; K54-I59 PolarHBondContact O-N 3.29Å; K54-I59 VanDerWaalsContact O-N 3.07Å; K54-V130 HydrophobicContact CB-CG1 4.43Å; K54-V130 HydrophobicContact CD-CG1 4.42Å; K54-V130 HydrophobicContact CG-CG1 3.97Å; K54-F401 VanDerWaalsContact CE-CE1 3.41Å; K54-F401 VanDerWaalsContact CE-CZ 3.42Å
55E95.3Very high96.1Very high69 Ų6963.6 Ų63.632%0.32234%0.336SS..Iπ-helixtrans-76-40.4-176.2-60.3-54.4143.400112.1Y51 Y52 P60Y51-E55 PolarHBondContact O-N 2.67Å; Y52-E55 PolarHBondContact O-N 3.37Å; E55-P60 WeakPolarHBondContact O-CD 3.4Å
56S96.7Very high96.1Very high60 Ų6062 Ų6242%0.4234%0.338SS..Iπ-helixtrans-87.9-23.5-170.3-45.90000114.2Y52Y52-S56 WeakPolarHBondContact CE2-OG 3.45Å; Y52-S56 WeakPolarHBondContact O-CB 3.37Å; Y52-S56 PolarHBondContact O-N 3.21Å; Y52-S56 PolarHBondContact O-OG 3.48Å
57V97.9Very high96.1Very high68 Ų6861.4 Ų61.441%0.41233%0.334SS..Iπ-helixtrans-128.3-58.6-170.6-175.90000111.9L53 P60 H61L53-V57 HydrophobicContact CD2-CG2 3.92Å; L53-V57 CarbonylContact O-C 3.57Å; L53-V57 WeakPolarHBondContact O-CA 3.46Å; L53-V57 WeakPolarHBondContact O-CB 2.99Å; L53-V57 PolarHBondContact O-N 3.13Å; V57-P60 WeakPolarHBondContact O-CD 3.45Å; V57-H61 WeakPolarHBondContact O-CB 3.11Å; V57-H61 PolarHBondContact O-N 3.35Å
58F98Very high96.2Very high13 Ų1367.1 Ų67.16%0.05735%0.35CS..Iπ-helixtrans-70.5-42.7-167.5-55.3-33.9000113.1L53 K54 H61 G62 V130 E133 W134 C137L53-F58 HydrophobicContact CB-CD2 4.08Å; L53-F58 HydrophobicContact CB-CE1 4.24Å; L53-F58 HydrophobicContact CB-CE2 3.46Å; L53-F58 VanDerWaalsContact CB-CE2 3.46Å; L53-F58 HydrophobicContact CB-CZ 3.56Å; L53-F58 HydrophobicContact CD1-CE2 4.37Å; L53-F58 HydrophobicContact CD1-CZ 3.84Å; L53-F58 HydrophobicContact CG-CZ 4.3Å; L53-F58 PolarHBondContact O-N 2.79Å; K54-F58 HydrophobicContact CB-CD2 4.47Å; F58-H61 PolarHBondContact O-N 3.41Å; F58-G62 PolarHBondContact O-N 3.22Å; F58-V130 HydrophobicContact CB-CB 4.38Å; F58-V130 HydrophobicContact CB-CG1 3.97Å; F58-V130 HydrophobicContact CB-CG2 4.08Å; F58-V130 HydrophobicContact CD2-CG1 4.33Å; F58-E133 WeakPolarHBondContact CA-OE2 3.36Å; F58-E133 HydrophobicContact CB-CB 4.32Å; F58-E133 VanDerWaalsContact CB-OE2 3.27Å; F58-E133 WeakPolarHBondContact CB-OE2 3.42Å; F58-E133 HydrophobicContact CD1-CB 3.71Å; F58-E133 WeakPolarHBondContact CD1-OE2 3.36Å; F58-E133 HydrophobicContact CD2-CB 4.42Å; F58-E133 HydrophobicContact CE1-CB 4.08Å; F58-E133 HydrophobicContact CG-CB 3.91Å; F58-W134 HydrophobicContact CD2-CB 4.39Å; F58-W134 HydrophobicContact CE2-CB 3.83Å; F58-W134 HydrophobicContact CE2-CE3 4.09Å; F58-W134 HydrophobicContact CZ-CE3 4.42Å; F58-C137 HydrophobicContact CZ-CB 4.17Å
59I97.1Very high96Very high6 Ų665.6 Ų65.63%0.03133%0.332CS..Hα-helixtrans-63.9-54.1175.8-71.1168.1000110.7K54 H61 G62 L63 F69 V130 L397 F401K54-I59 HydrophobicContact CG-CD1 4.01Å; K54-I59 WeakPolarHBondContact O-CB 3.39Å; K54-I59 VanDerWaalsContact O-CG1 3.31Å; K54-I59 WeakPolarHBondContact O-CG1 3.35Å; K54-I59 PolarHBondContact O-N 3.29Å; K54-I59 VanDerWaalsContact O-N 3.07Å; I59-H61 VanDerWaalsContact C-N 3.26Å; I59-H61 PolarHBondContact O-N 3.4Å; I59-G62 PolarHBondContact O-N 3.43Å; I59-L63 HydrophobicContact CG2-CD1 4Å; I59-L63 HydrophobicContact CG2-CG 4.39Å; I59-L63 WeakPolarHBondContact O-CG 3.48Å; I59-L63 PolarHBondContact O-N 2.75Å; I59-F69 HydrophobicContact CD1-CZ 4.38Å; I59-F69 HydrophobicContact CG1-CZ 4.32Å; I59-F69 HydrophobicContact CG2-CE2 3.91Å; I59-F69 HydrophobicContact CG2-CZ 3.87Å; I59-V130 HydrophobicContact CG1-CG2 3.88Å; I59-L397 HydrophobicContact CD1-CD2 3.93Å; I59-L397 HydrophobicContact CG2-CD2 4.29Å; I59-F401 HydrophobicContact CD1-CE2 4Å; I59-F401 HydrophobicContact CD1-CZ 4.27Å
60P97.8Very high95.4Very high62 Ų6264.9 Ų64.940%0.40333%0.333SS..Hα-helixtrans-55-38.9175.3-28.535.4000113.8E55 V57 L63 S64E55-P60 WeakPolarHBondContact O-CD 3.4Å; V57-P60 WeakPolarHBondContact O-CD 3.45Å; P60-L63 PolarHBondContact O-N 3.15Å; P60-S64 WeakPolarHBondContact O-CB 3.35Å; P60-S64 PolarHBondContact O-N 3.44Å
61H97.6Very high94.8Very high75 Ų7570.6 Ų70.635%0.34736%0.359SS..Hα-helixtrans-66.8-44.2177.3-178.5-124.4000112.4V57 F58 I59 L63 S64 L65 F129 E133V57-H61 WeakPolarHBondContact O-CB 3.11Å; V57-H61 PolarHBondContact O-N 3.35Å; F58-H61 PolarHBondContact O-N 3.41Å; I59-H61 VanDerWaalsContact C-N 3.26Å; I59-H61 PolarHBondContact O-N 3.4Å; H61-L63 VanDerWaalsContact C-N 3.31Å; H61-L63 PolarHBondContact O-N 3.45Å; H61-S64 PolarHBondContact O-N 3.5Å; H61-S64 PolarHBondContact O-OG 3.2Å; H61-L65 WeakPolarHBondContact O-CG 2.9Å; H61-L65 PolarHBondContact O-N 2.96Å; H61-L65 VanDerWaalsContact O-N 3.11Å; H61-F129 AromaticContact ND1-CZ 3.67Å; H61-E133 IonicContact CE1-OE1 2.91Å; H61-E133 PolarHBondContact CE1-OE1 3.36Å; H61-E133 IonicContact CG-OE1 3.43Å; H61-E133 IonicContact ND1-OE1 2.8Å; H61-E133 PolarHBondContact ND1-OE1 3.44Å; H61-E133 IonicContact ND1-OE2 2.87Å
62G97.3Very high94Very high0 Ų066.5 Ų66.50%035%0.347CS..Hα-helixtrans-59.3-42.2173.300000112.5F58 I59 L65 G66 L67F58-G62 PolarHBondContact O-N 3.22Å; I59-G62 PolarHBondContact O-N 3.43Å; G62-L65 PolarHBondContact O-N 3.36Å; G62-G66 PolarHBondContact O-N 2.95Å; G62-L67 WeakPolarHBondContact O-CB 3.37Å; G62-L67 WeakPolarHBondContact O-CG 3.49Å; G62-L67 PolarHBondContact O-N 2.93Å
63L96.7Very high93.1Very high78 Ų7861.7 Ų61.741%0.40834%0.335SS..Hα-helixtrans-65.6-39.9177.2-65.9176.1000112.2I59 P60 H61 L65 G66 L67 F69 I126I59-L63 HydrophobicContact CG2-CD1 4Å; I59-L63 HydrophobicContact CG2-CG 4.39Å; I59-L63 WeakPolarHBondContact O-CG 3.48Å; I59-L63 PolarHBondContact O-N 2.75Å; P60-L63 PolarHBondContact O-N 3.15Å; H61-L63 VanDerWaalsContact C-N 3.31Å; H61-L63 PolarHBondContact O-N 3.45Å; L63-L65 VanDerWaalsContact C-N 3.27Å; L63-L65 PolarHBondContact O-N 3.16Å; L63-G66 PolarHBondContact O-N 3.03Å; L63-L67 WeakPolarHBondContact CD2-O 2.87Å; L63-F69 HydrophobicContact CD2-CD2 4.26Å; L63-F69 HydrophobicContact CD2-CE2 4.2Å; L63-I126 HydrophobicContact CD2-CD1 3.71Å; L63-I126 HydrophobicContact CG-CD1 4.18Å
64S97.2Very high92.5Very high91 Ų9166.9 Ų66.964%0.63636%0.358SS*.Hα-helixtrans-66.8-29177.977.80000112.6P60 H61 G66P60-S64 WeakPolarHBondContact O-CB 3.35Å; P60-S64 PolarHBondContact O-N 3.44Å; H61-S64 PolarHBondContact O-N 3.5Å; H61-S64 PolarHBondContact O-OG 3.2Å; S64-G66 PolarHBondContact O-N 2.7Å
65L96.4Very high92.1Very high80 Ų8066.1 Ų66.142%0.41936%0.357SS..THydrogen-bonded Turntrans-80.63.1171.5-63.8179.2000113.7H61 G62 L63 F129 V251H61-L65 WeakPolarHBondContact O-CG 2.9Å; H61-L65 PolarHBondContact O-N 2.96Å; H61-L65 VanDerWaalsContact O-N 3.11Å; G62-L65 PolarHBondContact O-N 3.36Å; L63-L65 VanDerWaalsContact C-N 3.27Å; L63-L65 PolarHBondContact O-N 3.16Å; L65-F129 HydrophobicContact CD1-CE2 4.2Å; L65-F129 HydrophobicContact CD1-CZ 3.96Å; L65-V251 HydrophobicContact CB-CG1 3.87Å; L65-V251 HydrophobicContact CD1-CG1 3.8Å; L65-V251 HydrophobicContact CG-CG1 4.48Å
66G94.2Very high91.8Very high53 Ų5365.3 Ų65.355%0.54636%0.357SS..THydrogen-bonded Turntrans88.19.6174.500000115G62 L63 S64G62-G66 PolarHBondContact O-N 2.95Å; L63-G66 PolarHBondContact O-N 3.03Å; S64-G66 PolarHBondContact O-N 2.7Å
67L94.7Very high91.6Very high9 Ų967.4 Ų67.45%0.04736%0.364CS..  trans-68.9153167.9-55.7179.8000109.7G62 L63 T125 I126 F129 Y250 V251G62-L67 WeakPolarHBondContact O-CB 3.37Å; G62-L67 WeakPolarHBondContact O-CG 3.49Å; G62-L67 PolarHBondContact O-N 2.93Å; L63-L67 WeakPolarHBondContact CD2-O 2.87Å; L67-T125 HydrophobicContact CD2-CG2 4.24Å; L67-I126 HydrophobicContact CB-CB 4.24Å; L67-I126 HydrophobicContact CB-CD1 4.23Å; L67-I126 HydrophobicContact CB-CG1 4.26Å; L67-F129 HydrophobicContact CD1-CB 3.6Å; L67-F129 HydrophobicContact CD1-CD1 3.81Å; L67-F129 HydrophobicContact CD1-CD2 3.59Å; L67-F129 HydrophobicContact CD1-CE1 4.38Å; L67-F129 HydrophobicContact CD1-CE2 4.15Å; L67-F129 HydrophobicContact CD1-CG 3.38Å; L67-Y250 WeakPolarHBondContact CD2-O 3.46Å; L67-V251 HydrophobicContact CD1-CG1 4.15Å; L67-V251 HydrophobicContact CD2-CG1 4.32Å; L67-V251 HydrophobicContact CG-CG1 4.23Å
68R92.8Very high91.3Very high172 Ų17265.9 Ų65.965%0.64935%0.353SS*.  trans-137.6147.8-179.8-64.7-174.9178-171.2-3.7110.5
69F89.8Confident91.1Very high30 Ų3068.8 Ų68.813%0.13237%0.373CS..PPolyproline II helixtrans-66.4135.4164-67.6-77.9000109I59 L63 I126 L397 V400 F401I59-F69 HydrophobicContact CD1-CZ 4.38Å; I59-F69 HydrophobicContact CG1-CZ 4.32Å; I59-F69 HydrophobicContact CG2-CE2 3.91Å; I59-F69 HydrophobicContact CG2-CZ 3.87Å; L63-F69 HydrophobicContact CD2-CD2 4.26Å; L63-F69 HydrophobicContact CD2-CE2 4.2Å; F69-I126 HydrophobicContact CD1-CD1 4.5Å; F69-I126 HydrophobicContact CD1-CG2 3.59Å; F69-I126 HydrophobicContact CD2-CD1 4.1Å; F69-I126 HydrophobicContact CE1-CD1 4.15Å; F69-I126 HydrophobicContact CE1-CG1 4.42Å; F69-I126 HydrophobicContact CE1-CG2 3.68Å; F69-I126 HydrophobicContact CE2-CD1 3.71Å; F69-I126 HydrophobicContact CG-CD1 4.47Å; F69-I126 HydrophobicContact CG-CG2 4.21Å; F69-I126 HydrophobicContact CZ-CD1 3.73Å; F69-I126 HydrophobicContact CZ-CG1 4.33Å; F69-I126 HydrophobicContact CZ-CG2 4.37Å; F69-L397 HydrophobicContact CD2-CD2 4.49Å; F69-L397 HydrophobicContact CD2-CG 4.39Å; F69-L397 HydrophobicContact CE1-CD2 4.04Å; F69-L397 HydrophobicContact CE2-CD2 3.6Å; F69-L397 HydrophobicContact CE2-CG 3.91Å; F69-L397 HydrophobicContact CZ-CD2 3.34Å; F69-L397 HydrophobicContact CZ-CG 4.09Å; F69-V400 HydrophobicContact CD1-CG1 4.44Å; F69-F401 AromaticContact CE1-CE2 3.95Å; F69-F401 HydrophobicContact CE1-CE2 3.95Å; F69-F401 HydrophobicContact CE1-CZ 4.29Å; F69-F401 HydrophobicContact CZ-CE2 4.31Å
70P84Confident90.9Very high59 Ų5970.5 Ų70.538%0.38338%0.384SS..PPolyproline II helixtrans-68.1138.9-179.727.4-31.6000109.1I72 P124P70-I72 PolarHBondContact O-N 3.08Å; P70-P124 HydrophobicContact CG-CB 3.76Å; P70-P124 HydrophobicContact CG-CG 3.59Å
71K82.8Confident90.8Very high175 Ų17567.6 Ų67.676%0.76137%0.365SS*.PPolyproline II helixtrans-59.5132.3169.9-65.6-175.5178.8-175.60108.8S73K71-S73 PolarHBondContact O-N 3.18Å
72I77.2Confident90.6Very high74 Ų7467.2 Ų67.238%0.37936%0.363SS..  trans-58.5109.3177.9-61.4175.1000108.4P70 H74 N396 H399P70-I72 PolarHBondContact O-N 3.08Å; I72-H74 PolarHBondContact O-N 3.3Å; I72-N396 VanDerWaalsContact CD1-OD1 3.23Å; I72-N396 WeakPolarHBondContact CD1-OD1 3.16Å; I72-H399 HydrophobicContact CD1-CB 4.22Å
73S76.8Confident90.4Very high48 Ų4874.4 Ų74.434%0.33639%0.39SS..  trans-86.5105.8178.3-147.10000109K71 V75 K116K71-S73 PolarHBondContact O-N 3.18Å; S73-V75 PolarHBondContact O-N 2.68Å; S73-K116 WeakPolarHBondContact OG-CD 3.47Å; S73-K116 WeakPolarHBondContact OG-CE 3.42Å; S73-K116 PolarHBondContact OG-NZ 3.45Å; S73-K116 VanDerWaalsContact OG-NZ 3.15Å
74H85.3Confident90.2Very high143 Ų14372.4 Ų72.466%0.66238%0.38SS*.  trans-70.8110.2175.7-179.6-91.2000110.5I72 K116I72-H74 PolarHBondContact O-N 3.3Å; H74-K116 WeakPolarHBondContact O-CE 3.31Å; H74-K116 PolarHBondContact O-NZ 3.29Å
75V87.6Confident90Very high23 Ų2368.2 Ų68.214%0.13935%0.351CS..  trans-83.8123.4173.4177.60000108S73 D77 W113 K116 R117S73-V75 PolarHBondContact O-N 2.68Å; V75-D77 PolarHBondContact O-N 3.08Å; V75-W113 HydrophobicContact CG1-CD2 4.19Å; V75-W113 HydrophobicContact CG1-CG 4.3Å; V75-W113 HydrophobicContact CG1-CZ2 3.94Å; V75-W113 VanDerWaalsContact CG1-NE1 3.29Å; V75-K116 HydrophobicContact CG2-CB 4.29Å; V75-K116 HydrophobicContact CG2-CD 4.38Å; V75-K116 HydrophobicContact CG2-CG 3.83Å; V75-R117 HydrophobicContact CG1-CB 4.4Å
76P89.9Confident89.7Confident52 Ų5271.3 Ų71.334%0.33836%0.363SS..  trans-51.3133.8176.3-26.934.5000111.8I78 W113P76-I78 HydrophobicContact CB-CD1 4.37Å; P76-I78 HydrophobicContact CB-CG1 4.38Å; P76-I78 PolarHBondContact O-N 2.65Å; P76-I78 VanDerWaalsContact O-N 3.1Å; P76-W113 PolarHBondContact O-NE1 3.48Å
77D91.4Very high89.5Confident104 Ų10477.8 Ų77.856%0.55638%0.376SS*.  trans-78.298.1179.5-164.6-12.1000110.7V75 K82V75-D77 PolarHBondContact O-N 3.08Å; D77-K82 WeakPolarHBondContact OD1-CD 3.48Å; D77-K82 WeakPolarHBondContact OD1-CE 3.45Å; D77-K82 IonicContact OD1-NZ 3.64Å; D77-K82 PolarHBondContact OD1-NZ 3.23Å; D77-K82 IonicContact OD2-NZ 3.29Å; D77-K82 PolarHBondContact OD2-NZ 3.36Å
78I93.5Very high89.3Confident36 Ų3679.8 Ų79.819%0.18539%0.387CS..  trans-119.3101.8177-56.4173.1000108.1P76 V80 L81 K82 L103 L105P76-I78 HydrophobicContact CB-CD1 4.37Å; P76-I78 HydrophobicContact CB-CG1 4.38Å; P76-I78 PolarHBondContact O-N 2.65Å; P76-I78 VanDerWaalsContact O-N 3.1Å; I78-V80 VanDerWaalsContact C-N 3.27Å; I78-V80 PolarHBondContact O-N 2.86Å; I78-L81 HydrophobicContact CB-CB 4.2Å; I78-L81 HydrophobicContact CB-CD1 4.1Å; I78-L81 HydrophobicContact CB-CG 4.09Å; I78-L81 HydrophobicContact CD1-CD1 3.8Å; I78-L81 HydrophobicContact CG2-CB 4.2Å; I78-L81 HydrophobicContact CG2-CD1 4.11Å; I78-L81 HydrophobicContact CG2-CG 3.75Å; I78-L81 PolarHBondContact O-N 2.89Å; I78-L81 VanDerWaalsContact O-N 3.07Å; I78-K82 PolarHBondContact O-N 3.27Å; I78-L103 HydrophobicContact CG2-CD1 4.1Å; I78-L103 HydrophobicContact CG2-CD2 4.31Å; I78-L105 HydrophobicContact CD1-CD1 3.96Å
79P93.4Very high89.1Confident74 Ų7475.6 Ų75.648%0.48138%0.375SS..Hα-helixtrans-56.7-35.7-174-29.835.6000114.6K82 R83P79-K82 PolarHBondContact O-N 3.1Å; P79-R83 WeakPolarHBondContact O-CG 3.2Å; P79-R83 PolarHBondContact O-N 3.44Å
80V93.3Very high89.1Confident43 Ų4381.5 Ų81.526%0.26140%0.4SS..Hα-helixtrans-64.5-46.3177.3179.60000110.8I78 R83 V84 L99 L103I78-V80 VanDerWaalsContact C-N 3.27Å; I78-V80 PolarHBondContact O-N 2.86Å; V80-R83 PolarHBondContact O-N 3.2Å; V80-V84 WeakPolarHBondContact O-CG2 3.34Å; V80-V84 PolarHBondContact O-N 2.83Å; V80-L99 HydrophobicContact CG1-CD2 3.99Å; V80-L103 HydrophobicContact CB-CD2 4.12Å; V80-L103 HydrophobicContact CG1-CD2 4.46Å; V80-L103 HydrophobicContact CG2-CD2 4.16Å
81L94.5Very high89.3Confident1 Ų179.4 Ų79.41%0.00539%0.387CS..Hα-helixtrans-67.4-37.5178.8-62.5-174.7000111.7I78 V84 F85 L99 L103 I110 W113 F114I78-L81 HydrophobicContact CB-CB 4.2Å; I78-L81 HydrophobicContact CB-CD1 4.1Å; I78-L81 HydrophobicContact CB-CG 4.09Å; I78-L81 HydrophobicContact CD1-CD1 3.8Å; I78-L81 HydrophobicContact CG2-CB 4.2Å; I78-L81 HydrophobicContact CG2-CD1 4.11Å; I78-L81 HydrophobicContact CG2-CG 3.75Å; I78-L81 PolarHBondContact O-N 2.89Å; I78-L81 VanDerWaalsContact O-N 3.07Å; L81-V84 PolarHBondContact O-N 3.13Å; L81-F85 WeakPolarHBondContact O-CB 3.48Å; L81-F85 PolarHBondContact O-N 3.08Å; L81-L99 HydrophobicContact CD2-CB 4.42Å; L81-L99 HydrophobicContact CD2-CD1 3.95Å; L81-L99 HydrophobicContact CD2-CD2 4.31Å; L81-L99 HydrophobicContact CD2-CG 4.47Å; L81-L103 HydrophobicContact CD1-CD1 4.27Å; L81-L103 HydrophobicContact CD2-CD1 3.55Å; L81-L103 HydrophobicContact CG-CD1 3.72Å; L81-I110 HydrophobicContact CD2-CG2 4.27Å; L81-W113 HydrophobicContact CB-CD2 3.89Å; L81-W113 HydrophobicContact CB-CE3 3.74Å; L81-W113 HydrophobicContact CB-CH2 3.69Å; L81-W113 HydrophobicContact CB-CZ2 3.78Å; L81-W113 HydrophobicContact CB-CZ3 3.65Å; L81-W113 HydrophobicContact CD1-CB 4.08Å; L81-W113 HydrophobicContact CD1-CD2 3.56Å; L81-W113 HydrophobicContact CD1-CE3 3.93Å; L81-W113 HydrophobicContact CD1-CG 3.59Å; L81-W113 HydrophobicContact CG-CD2 4.38Å; L81-W113 HydrophobicContact CG-CE3 4.42Å; L81-F114 HydrophobicContact CD2-CE2 3.9Å; L81-F114 HydrophobicContact CD2-CZ 4.4Å
82K93.6Very high89.8Confident67 Ų6774.8 Ų74.829%0.29137%0.373SS..Hα-helixtrans-58.5-49.4172.6-73.5-179.6171.7176.90111.8D77 I78 P79 V84 F85 E86 W113D77-K82 WeakPolarHBondContact OD1-CD 3.48Å; D77-K82 WeakPolarHBondContact OD1-CE 3.45Å; D77-K82 IonicContact OD1-NZ 3.64Å; D77-K82 PolarHBondContact OD1-NZ 3.23Å; D77-K82 IonicContact OD2-NZ 3.29Å; D77-K82 PolarHBondContact OD2-NZ 3.36Å; I78-K82 PolarHBondContact O-N 3.27Å; P79-K82 PolarHBondContact O-N 3.1Å; K82-V84 VanDerWaalsContact C-N 3.3Å; K82-V84 PolarHBondContact O-N 3.03Å; K82-F85 WeakPolarHBondContact O-CB 3.32Å; K82-F85 PolarHBondContact O-N 3.05Å; K82-F85 VanDerWaalsContact O-N 3.11Å; K82-E86 WeakPolarHBondContact O-CG 3.44Å; K82-E86 PolarHBondContact O-N 3.04Å; K82-W113 HydrophobicContact CG-CH2 4.13Å; K82-W113 HydrophobicContact CG-CZ2 3.98Å
83R93.4Very high90.5Very high150 Ų15078.2 Ų78.257%0.56638%0.382SS*.Hα-helixtrans-60-38.6176.8-78.1-174.7-110.9134.7-8.6112.8P79 V80P79-R83 WeakPolarHBondContact O-CG 3.2Å; P79-R83 PolarHBondContact O-N 3.44Å; V80-R83 PolarHBondContact O-N 3.2Å
84V93.1Very high91.3Very high36 Ų3679.2 Ų79.222%0.21839%0.394CS..Hα-helixtrans-69.7-42.1174.8175.60000110.7V80 L81 K82 E86 K87 N88 L99 F114V80-V84 WeakPolarHBondContact O-CG2 3.34Å; V80-V84 PolarHBondContact O-N 2.83Å; L81-V84 PolarHBondContact O-N 3.13Å; K82-V84 VanDerWaalsContact C-N 3.3Å; K82-V84 PolarHBondContact O-N 3.03Å; V84-E86 PolarHBondContact O-N 3.2Å; V84-K87 PolarHBondContact O-N 3.38Å; V84-K87 VanDerWaalsContact O-N 3.11Å; V84-N88 PolarHBondContact O-N 3.12Å; V84-L99 HydrophobicContact CG1-CD1 4.19Å; V84-L99 HydrophobicContact CG2-CD1 4.31Å; V84-L99 HydrophobicContact CG2-CD2 4.03Å; V84-F114 HydrophobicContact CB-CZ 4.15Å; V84-F114 HydrophobicContact CG1-CE1 4.3Å; V84-F114 HydrophobicContact CG1-CZ 3.8Å
85F92.2Very high91.6Very high4 Ų475.9 Ų75.92%0.01838%0.378CS..Hα-helixtrans-59.9-44.1-179.7-173.3-83.3000112.5L81 K82 K87 N88 H89 W113 F114 R117 R118 E121L81-F85 WeakPolarHBondContact O-CB 3.48Å; L81-F85 PolarHBondContact O-N 3.08Å; K82-F85 WeakPolarHBondContact O-CB 3.32Å; K82-F85 PolarHBondContact O-N 3.05Å; K82-F85 VanDerWaalsContact O-N 3.11Å; F85-K87 PolarHBondContact O-N 3.2Å; F85-N88 CarbonylContact O-C 3.53Å; F85-N88 VanDerWaalsContact O-C 3.26Å; F85-N88 PolarHBondContact O-N 2.9Å; F85-H89 AromaticContact CE1-CE1 3.45Å; F85-H89 VanDerWaalsContact CE1-CE1 3.45Å; F85-H89 WeakPolarHBondContact CE1-CE1 3.26Å; F85-H89 AromaticContact CE1-CG 3.83Å; F85-H89 AromaticContact CE1-ND1 3.35Å; F85-H89 WeakPolarHBondContact CE1-ND1 2.79Å; F85-H89 AromaticContact CE1-NE2 3.97Å; F85-H89 HydrophobicContact CE2-CB 4.34Å; F85-H89 HydrophobicContact CZ-CB 4.21Å; F85-H89 AromaticContact CZ-CE1 3.94Å; F85-H89 AromaticContact CZ-CG 3.83Å; F85-H89 AromaticContact CZ-ND1 3.36Å; F85-H89 WeakPolarHBondContact CZ-ND1 3.33Å; F85-H89 PolarHBondContact O-CD2 3.49Å; F85-H89 PolarHBondContact O-N 3.2Å; F85-W113 HydrophobicContact CB-CH2 4.12Å; F85-W113 HydrophobicContact CB-CZ3 3.96Å; F85-W113 AromaticContact CD2-CZ3 3.95Å; F85-W113 HydrophobicContact CD2-CZ3 3.95Å; F85-W113 HydrophobicContact CG-CH2 4.48Å; F85-W113 HydrophobicContact CG-CZ3 4.24Å; F85-F114 HydrophobicContact CB-CE1 3.96Å; F85-F114 AromaticContact CD2-CD1 3.58Å; F85-F114 HydrophobicContact CD2-CD1 3.58Å; F85-F114 AromaticContact CD2-CE1 3.85Å; F85-F114 HydrophobicContact CD2-CE1 3.85Å; F85-F114 HydrophobicContact CE2-CD1 4.31Å; F85-F114 HydrophobicContact CG-CE1 4.39Å; F85-R117 HydrophobicContact CD1-CG 4.07Å; F85-R117 HydrophobicContact CD2-CB 4.11Å; F85-R117 HydrophobicContact CD2-CG 3.62Å; F85-R117 HydrophobicContact CE1-CG 3.9Å; F85-R117 HydrophobicContact CE2-CB 3.8Å; F85-R117 HydrophobicContact CE2-CG 3.42Å; F85-R117 VanDerWaalsContact CE2-CG 3.42Å; F85-R117 HydrophobicContact CG-CG 3.95Å; F85-R117 HydrophobicContact CZ-CB 4.32Å; F85-R117 HydrophobicContact CZ-CG 3.58Å; F85-R118 HydrophobicContact CE2-CG 3.7Å; F85-R118 HydrophobicContact CZ-CG 3.95Å; F85-E121 WeakPolarHBondContact CE1-OE1 3.47Å; F85-E121 WeakPolarHBondContact CZ-OE2 3.37Å
86E90.2Very high92Very high144 Ų14475.4 Ų75.467%0.67338%0.375SS*.Hα-helixtrans-56.5-32.6175.8-74.2166.3-171.100112.7K82 V84K82-E86 WeakPolarHBondContact O-CG 3.44Å; K82-E86 PolarHBondContact O-N 3.04Å; V84-E86 PolarHBondContact O-N 3.2Å
87K90.9Very high92.2Very high190 Ų19077.6 Ų77.683%0.82638%0.379SS*.Hα-helixtrans-89.1-38.1177.5-64.7-176.3179.8-1750112.7V84 F85V84-K87 PolarHBondContact O-N 3.38Å; V84-K87 VanDerWaalsContact O-N 3.11Å; F85-K87 PolarHBondContact O-N 3.2Å
88N89.8Confident92.3Very high50 Ų5079 Ų7927%0.26738%0.382SS..  trans-145.4104.4-177.3-173.83000111.2V84 F85 K90 P91 Q95V84-N88 PolarHBondContact O-N 3.12Å; F85-N88 CarbonylContact O-C 3.53Å; F85-N88 VanDerWaalsContact O-C 3.26Å; F85-N88 PolarHBondContact O-N 2.9Å; N88-K90 PolarHBondContact ND2-O 3.19Å; N88-K90 VanDerWaalsContact ND2-O 3.16Å; N88-K90 PolarHBondContact O-N 3.42Å; N88-K90 PolarHBondContact OD1-N 2.78Å; N88-K90 PolarHBondContact OD1-O 3.27Å; N88-P91 WeakPolarHBondContact ND2-CA 3.37Å; N88-Q95 PolarHBondContact ND2-OE1 3.44Å
89H87.6Confident92.3Very high85 Ų8578 Ų7839%0.39438%0.378SS..SBendtrans-67.7-18.3178.3-69.9-129.6000112.9F85 R118 E121F85-H89 AromaticContact CE1-CE1 3.45Å; F85-H89 VanDerWaalsContact CE1-CE1 3.45Å; F85-H89 WeakPolarHBondContact CE1-CE1 3.26Å; F85-H89 AromaticContact CE1-CG 3.83Å; F85-H89 AromaticContact CE1-ND1 3.35Å; F85-H89 WeakPolarHBondContact CE1-ND1 2.79Å; F85-H89 AromaticContact CE1-NE2 3.97Å; F85-H89 HydrophobicContact CE2-CB 4.34Å; F85-H89 HydrophobicContact CZ-CB 4.21Å; F85-H89 AromaticContact CZ-CE1 3.94Å; F85-H89 AromaticContact CZ-CG 3.83Å; F85-H89 AromaticContact CZ-ND1 3.36Å; F85-H89 WeakPolarHBondContact CZ-ND1 3.33Å; F85-H89 PolarHBondContact O-CD2 3.49Å; F85-H89 PolarHBondContact O-N 3.2Å; H89-R118 WeakPolarHBondContact O-CD 3.48Å; H89-R118 PolarHBondContact O-NH1 3.08Å; H89-E121 IonicContact CE1-OE2 2.67Å; H89-E121 PolarHBondContact CE1-OE2 2.74Å; H89-E121 IonicContact ND1-OE2 3.41Å; H89-E121 PolarHBondContact ND1-OE2 2.87Å
90K89.7Confident92.4Very high153 Ų15375.6 Ų75.667%0.66536%0.362SS*.SBendtrans-132.778.1179.9-68.3-176.2-177.5177.40110N88N88-K90 PolarHBondContact ND2-O 3.19Å; N88-K90 VanDerWaalsContact ND2-O 3.16Å; N88-K90 PolarHBondContact O-N 3.42Å; N88-K90 PolarHBondContact OD1-N 2.78Å; N88-K90 PolarHBondContact OD1-O 3.27Å
91P89Confident92.4Very high15 Ų1581 Ų8110%0.09738%0.383CS..  trans-57.8143176.228-37.3000111N88 Q95 I96 F114N88-P91 WeakPolarHBondContact ND2-CA 3.37Å; P91-Q95 HydrophobicContact CB-CB 3.99Å; P91-I96 HydrophobicContact CB-CG1 4.11Å; P91-I96 HydrophobicContact CG-CD1 4.25Å; P91-I96 HydrophobicContact CG-CG1 3.88Å; P91-F114 HydrophobicContact CB-CZ 4.39Å; P91-F114 HydrophobicContact CG-CD1 3.73Å; P91-F114 HydrophobicContact CG-CD2 3.74Å; P91-F114 HydrophobicContact CG-CE1 3.68Å; P91-F114 HydrophobicContact CG-CE2 3.68Å; P91-F114 HydrophobicContact CG-CG 3.79Å; P91-F114 HydrophobicContact CG-CZ 3.67Å
92T92.5Very high92.3Very high79 Ų7985.7 Ų85.749%0.48541%0.411SS..  trans-68.9160.5173.758.90000110.6A94 Q95 I96T92-A94 PolarHBondContact O-N 3.37Å; T92-Q95 WeakPolarHBondContact O-CB 3.36Å; T92-Q95 PolarHBondContact O-N 3.29Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.47Å; T92-Q95 PolarHBondContact OG1-OE1 3.2Å; T92-I96 PolarHBondContact O-N 2.93Å
93Y93Very high92.3Very high145 Ų14584.8 Ų84.857%0.56941%0.409SS*.Hα-helixtrans-54.7-37.4177.5-179.2-106.6000112.7I96 K97Y93-I96 PolarHBondContact O-N 2.73Å; Y93-K97 PolarHBondContact O-N 3.18Å
94A93.3Very high92.3Very high70 Ų7084.9 Ų84.958%0.57942%0.421SS*.Hα-helixtrans-62.8-43.9175.400000112.7T92 K97 E98T92-A94 PolarHBondContact O-N 3.37Å; A94-K97 PolarHBondContact O-N 2.95Å; A94-E98 PolarHBondContact O-N 2.98Å
95Q92.7Very high92.3Very high72 Ų7286.2 Ų86.234%0.33643%0.426SS..Hα-helixtrans-66-39.1177.2-71.1170.7-43.200111.9N88 P91 T92 K97 E98 L99N88-Q95 PolarHBondContact ND2-OE1 3.44Å; P91-Q95 HydrophobicContact CB-CB 3.99Å; T92-Q95 WeakPolarHBondContact O-CB 3.36Å; T92-Q95 PolarHBondContact O-N 3.29Å; T92-Q95 WeakPolarHBondContact OG1-CG 3.47Å; T92-Q95 PolarHBondContact OG1-OE1 3.2Å; Q95-K97 VanDerWaalsContact C-N 3.32Å; Q95-K97 PolarHBondContact O-N 2.98Å; Q95-E98 PolarHBondContact O-N 3.39Å; Q95-L99 WeakPolarHBondContact O-CB 3.49Å; Q95-L99 VanDerWaalsContact O-CG 3.27Å; Q95-L99 WeakPolarHBondContact O-CG 3.38Å; Q95-L99 PolarHBondContact O-N 2.96Å
96I94.2Very high92.4Very high13 Ų1389.4 Ų89.47%0.06745%0.449CS..Hα-helixtrans-59.8-45.5175.1-69.9161000110.2P91 T92 Y93 E98 L99 S100 D107 I110 E111P91-I96 HydrophobicContact CB-CG1 4.11Å; P91-I96 HydrophobicContact CG-CD1 4.25Å; P91-I96 HydrophobicContact CG-CG1 3.88Å; T92-I96 PolarHBondContact O-N 2.93Å; Y93-I96 PolarHBondContact O-N 2.73Å; I96-E98 PolarHBondContact O-N 2.87Å; I96-L99 PolarHBondContact O-N 3.2Å; I96-S100 WeakPolarHBondContact O-CB 3.42Å; I96-S100 PolarHBondContact O-N 3.28Å; I96-D107 HydrophobicContact CG2-CB 4.06Å; I96-I110 HydrophobicContact CG1-CG2 4.38Å; I96-I110 HydrophobicContact CG2-CB 4.3Å; I96-I110 HydrophobicContact CG2-CG2 4.12Å; I96-E111 HydrophobicContact CD1-CG 3.78Å; I96-E111 HydrophobicContact CG2-CG 4.17Å
97K94.4Very high92.5Very high99 Ų9984.6 Ų84.643%0.4343%0.428SS..Hα-helixtrans-65.3-36.2179.2-167.7171-173.2170.60113Y93 A94 Q95 K101Y93-K97 PolarHBondContact O-N 3.18Å; A94-K97 PolarHBondContact O-N 2.95Å; Q95-K97 VanDerWaalsContact C-N 3.32Å; Q95-K97 PolarHBondContact O-N 2.98Å; K97-K101 WeakPolarHBondContact O-CG 3.31Å; K97-K101 PolarHBondContact O-N 3.45Å
98E93.6Very high92.6Very high132 Ų13285.4 Ų85.462%0.61743%0.426SS*.Hα-helixtrans-67-43.9173.9-173.5-178.217800111.9A94 Q95 I96 S100 K101 T102A94-E98 PolarHBondContact O-N 2.98Å; Q95-E98 PolarHBondContact O-N 3.39Å; I96-E98 PolarHBondContact O-N 2.87Å; E98-S100 VanDerWaalsContact C-N 3.32Å; E98-S100 PolarHBondContact O-N 3.22Å; E98-K101 PolarHBondContact O-N 2.84Å; E98-T102 WeakPolarHBondContact O-CB 3.5Å; E98-T102 PolarHBondContact O-N 2.7Å; E98-T102 PolarHBondContact O-OG1 3.11Å
99L94.5Very high92.8Very high16 Ų1685.1 Ų85.18%0.08443%0.428CS..Hα-helixtrans-65.9-35.9175.8-69.4167.9000112.1V80 L81 V84 Q95 I96 T102 L103 I110 F114V80-L99 HydrophobicContact CG1-CD2 3.99Å; L81-L99 HydrophobicContact CD2-CB 4.42Å; L81-L99 HydrophobicContact CD2-CD1 3.95Å; L81-L99 HydrophobicContact CD2-CD2 4.31Å; L81-L99 HydrophobicContact CD2-CG 4.47Å; V84-L99 HydrophobicContact CG1-CD1 4.19Å; V84-L99 HydrophobicContact CG2-CD1 4.31Å; V84-L99 HydrophobicContact CG2-CD2 4.03Å; Q95-L99 WeakPolarHBondContact O-CB 3.49Å; Q95-L99 VanDerWaalsContact O-CG 3.27Å; Q95-L99 WeakPolarHBondContact O-CG 3.38Å; Q95-L99 PolarHBondContact O-N 2.96Å; I96-L99 PolarHBondContact O-N 3.2Å; L99-T102 PolarHBondContact O-N 3.21Å; L99-L103 WeakPolarHBondContact O-CB 3.48Å; L99-L103 PolarHBondContact O-N 2.82Å; L99-I110 VanDerWaalsContact C-CD1 3.4Å; L99-I110 HydrophobicContact CB-CD1 3.74Å; L99-F114 HydrophobicContact CD1-CE2 4.13Å; L99-F114 HydrophobicContact CD1-CZ 4.33Å
100S94.7Very high93Very high23 Ų2381.1 Ų81.116%0.16141%0.41CS..Hα-helixtrans-58.5-48.2174.6167.40000111I96 E98 N104 L105 D107I96-S100 WeakPolarHBondContact O-CB 3.42Å; I96-S100 PolarHBondContact O-N 3.28Å; E98-S100 VanDerWaalsContact C-N 3.32Å; E98-S100 PolarHBondContact O-N 3.22Å; S100-N104 VanDerWaalsContact O-CA 3.29Å; S100-N104 WeakPolarHBondContact O-CA 2.98Å; S100-N104 PolarHBondContact O-N 3.3Å; S100-L105 VanDerWaalsContact CA-O 3.32Å; S100-L105 WeakPolarHBondContact CA-O 3.4Å; S100-L105 VanDerWaalsContact CB-O 3.24Å; S100-L105 WeakPolarHBondContact CB-O 3.35Å; S100-L105 PolarHBondContact O-N 2.98Å; S100-L105 VanDerWaalsContact O-N 3.14Å; S100-L105 PolarHBondContact OG-O 3.28Å; S100-D107 WeakPolarHBondContact CB-OD1 3.02Å; S100-D107 PolarHBondContact OG-OD1 3.44Å
101K93.7Very high93.2Very high158 Ų15877.8 Ų77.869%0.68740%0.396SS*.Hα-helixtrans-63.1-43.8175.6-69.1176179.5-1740112.3K97 E98K97-K101 WeakPolarHBondContact O-CG 3.31Å; K97-K101 PolarHBondContact O-N 3.45Å; E98-K101 PolarHBondContact O-N 2.84Å
102T93.1Very high93.3Very high99 Ų9978.8 Ų78.861%0.60741%0.406SS*.Hα-helixtrans-69.2-40-175.5-55.40000112.5E98 L99E98-T102 WeakPolarHBondContact O-CB 3.5Å; E98-T102 PolarHBondContact O-N 2.7Å; E98-T102 PolarHBondContact O-OG1 3.11Å; L99-T102 PolarHBondContact O-N 3.21Å
103L93.1Very high93.4Very high47 Ų4775.5 Ų75.525%0.24639%0.385CS..Hα-helixtrans-95-3.3-177.2-63.9171.8000113.3I78 V80 L81 L99 L105I78-L103 HydrophobicContact CG2-CD1 4.1Å; I78-L103 HydrophobicContact CG2-CD2 4.31Å; V80-L103 HydrophobicContact CB-CD2 4.12Å; V80-L103 HydrophobicContact CG1-CD2 4.46Å; V80-L103 HydrophobicContact CG2-CD2 4.16Å; L81-L103 HydrophobicContact CD1-CD1 4.27Å; L81-L103 HydrophobicContact CD2-CD1 3.55Å; L81-L103 HydrophobicContact CG-CD1 3.72Å; L99-L103 WeakPolarHBondContact O-CB 3.48Å; L99-L103 PolarHBondContact O-N 2.82Å; L103-L105 HydrophobicContact CB-CB 4.33Å; L103-L105 HydrophobicContact CB-CD1 4Å; L103-L105 HydrophobicContact CB-CG 4Å; L103-L105 HydrophobicContact CD1-CD1 4.34Å; L103-L105 PolarHBondContact O-N 3.23Å
104N93.5Very high93.4Very high153 Ų15368.7 Ų68.782%0.81836%0.358SS*.THydrogen-bonded Turntrans51.140.9-171.8-16230.3000112.7S100S100-N104 VanDerWaalsContact O-CA 3.29Å; S100-N104 WeakPolarHBondContact O-CA 2.98Å; S100-N104 PolarHBondContact O-N 3.3Å
105L92.9Very high93.2Very high63 Ų6372.5 Ų72.533%0.3336%0.358SS..  trans-113.8154.2179.4-72.3180000109.8I78 S100 L103 I110I78-L105 HydrophobicContact CD1-CD1 3.96Å; S100-L105 VanDerWaalsContact CA-O 3.32Å; S100-L105 WeakPolarHBondContact CA-O 3.4Å; S100-L105 VanDerWaalsContact CB-O 3.24Å; S100-L105 WeakPolarHBondContact CB-O 3.35Å; S100-L105 PolarHBondContact O-N 2.98Å; S100-L105 VanDerWaalsContact O-N 3.14Å; S100-L105 PolarHBondContact OG-O 3.28Å; L103-L105 HydrophobicContact CB-CB 4.33Å; L103-L105 HydrophobicContact CB-CD1 4Å; L103-L105 HydrophobicContact CB-CG 4Å; L103-L105 HydrophobicContact CD1-CD1 4.34Å; L103-L105 PolarHBondContact O-N 3.23Å; L105-I110 HydrophobicContact CB-CD1 4.27Å; L105-I110 HydrophobicContact CB-CG1 4.15Å
106S93.8Very high93.1Very high71 Ų7172 Ų7250%0.49735%0.354SS..  trans-69.4147.9175.266.10000111.9R108 S109 I110S106-R108 PolarHBondContact O-N 3.44Å; S106-R108 VanDerWaalsContact O-N 3.16Å; S106-S109 PolarHBondContact N-OG 3.05Å; S106-S109 PolarHBondContact O-N 2.86Å; S106-S109 PolarHBondContact O-OG 3.02Å; S106-S109 WeakPolarHBondContact OG-CB 3.47Å; S106-S109 PolarHBondContact OG-N 3.12Å; S106-S109 PolarHBondContact OG-OG 2.88Å; S106-I110 PolarHBondContact O-N 3.07Å
107D93.8Very high92.9Very high43 Ų4375.5 Ų75.523%0.2337%0.366CS..Hα-helixtrans-51-41.7174.6-67.4-20.3000111.4I96 S100 S109 I110 E111I96-D107 HydrophobicContact CG2-CB 4.06Å; S100-D107 WeakPolarHBondContact CB-OD1 3.02Å; S100-D107 PolarHBondContact OG-OD1 3.44Å; D107-S109 PolarHBondContact O-N 2.89Å; D107-I110 PolarHBondContact O-N 3.48Å; D107-E111 WeakPolarHBondContact O-CG 3.49Å; D107-E111 PolarHBondContact O-N 3.27Å
108R92.7Very high92.6Very high207 Ų20773.8 Ų73.878%0.78136%0.357SS*.Hα-helixtrans-63.2-38.7177.8-69.8-175179.6179.60.6113.3S106 I110 A112S106-R108 PolarHBondContact O-N 3.44Å; S106-R108 VanDerWaalsContact O-N 3.16Å; R108-I110 VanDerWaalsContact C-N 3.33Å; R108-A112 WeakPolarHBondContact O-CB 3.32Å; R108-A112 PolarHBondContact O-N 2.89Å
109S92.5Very high92.2Very high45 Ų4570.7 Ų70.732%0.31535%0.345SS..Hα-helixtrans-70.5-35179.571.30000111S106 D107 W113S106-S109 PolarHBondContact N-OG 3.05Å; S106-S109 PolarHBondContact O-N 2.86Å; S106-S109 PolarHBondContact O-OG 3.02Å; S106-S109 WeakPolarHBondContact OG-CB 3.47Å; S106-S109 PolarHBondContact OG-N 3.12Å; S106-S109 PolarHBondContact OG-OG 2.88Å; D107-S109 PolarHBondContact O-N 2.89Å; S109-W113 VanDerWaalsContact O-CB 3.32Å; S109-W113 WeakPolarHBondContact O-CB 3.32Å; S109-W113 PolarHBondContact O-N 3.33Å
110I93.1Very high91.7Very high0 Ų072.2 Ų72.20%036%0.356CS..Hα-helixtrans-66.6-49.8172.9-64.9178.4000110.4L81 I96 L99 L105 S106 D107 R108 A112 W113 F114L81-I110 HydrophobicContact CD2-CG2 4.27Å; I96-I110 HydrophobicContact CG1-CG2 4.38Å; I96-I110 HydrophobicContact CG2-CB 4.3Å; I96-I110 HydrophobicContact CG2-CG2 4.12Å; L99-I110 VanDerWaalsContact C-CD1 3.4Å; L99-I110 HydrophobicContact CB-CD1 3.74Å; L105-I110 HydrophobicContact CB-CD1 4.27Å; L105-I110 HydrophobicContact CB-CG1 4.15Å; S106-I110 PolarHBondContact O-N 3.07Å; D107-I110 PolarHBondContact O-N 3.48Å; R108-I110 VanDerWaalsContact C-N 3.33Å; I110-A112 VanDerWaalsContact C-N 3.3Å; I110-A112 PolarHBondContact O-N 3.27Å; I110-W113 WeakPolarHBondContact O-CB 3.47Å; I110-W113 PolarHBondContact O-N 2.76Å; I110-W113 VanDerWaalsContact O-N 3.12Å; I110-F114 HydrophobicContact CG2-CD2 3.75Å; I110-F114 HydrophobicContact CG2-CE2 3.72Å; I110-F114 VanDerWaalsContact O-CD2 3.31Å; I110-F114 WeakPolarHBondContact O-CD2 3.32Å; I110-F114 PolarHBondContact O-N 3.19Å
111E92.8Very high91.1Very high83 Ų8375.8 Ų75.839%0.38837%0.371SS..Hα-helixtrans-55.7-45.5174.9-77176.8-178.700112.2I96 D107 W113 F114 R115I96-E111 HydrophobicContact CD1-CG 3.78Å; I96-E111 HydrophobicContact CG2-CG 4.17Å; D107-E111 WeakPolarHBondContact O-CG 3.49Å; D107-E111 PolarHBondContact O-N 3.27Å; E111-W113 VanDerWaalsContact C-N 3.35Å; E111-F114 PolarHBondContact O-N 3.07Å; E111-R115 VanDerWaalsContact O-CB 3.29Å; E111-R115 WeakPolarHBondContact O-CB 3.38Å; E111-R115 PolarHBondContact O-N 3.32Å
112A91.6Very high90.4Very high36 Ų3670.8 Ų70.830%0.29835%0.349SS..Hα-helixtrans-63.3-40.4176.800000111.8R108 I110 R115 K116R108-A112 WeakPolarHBondContact O-CB 3.32Å; R108-A112 PolarHBondContact O-N 2.89Å; I110-A112 VanDerWaalsContact C-N 3.3Å; I110-A112 PolarHBondContact O-N 3.27Å; A112-R115 PolarHBondContact O-N 3.48Å; A112-K116 WeakPolarHBondContact O-CB 3.29Å; A112-K116 PolarHBondContact O-N 3.22Å
113W93.9Very high90Very high11 Ų1166.9 Ų66.94%0.04233%0.326CS..Hα-helixtrans-60.1-50.9175.1-174.1100.8000111V75 P76 L81 K82 F85 S109 I110 E111 R115 K116 R117V75-W113 HydrophobicContact CG1-CD2 4.19Å; V75-W113 HydrophobicContact CG1-CG 4.3Å; V75-W113 HydrophobicContact CG1-CZ2 3.94Å; V75-W113 VanDerWaalsContact CG1-NE1 3.29Å; P76-W113 PolarHBondContact O-NE1 3.48Å; L81-W113 HydrophobicContact CB-CD2 3.89Å; L81-W113 HydrophobicContact CB-CE3 3.74Å; L81-W113 HydrophobicContact CB-CH2 3.69Å; L81-W113 HydrophobicContact CB-CZ2 3.78Å; L81-W113 HydrophobicContact CB-CZ3 3.65Å; L81-W113 HydrophobicContact CD1-CB 4.08Å; L81-W113 HydrophobicContact CD1-CD2 3.56Å; L81-W113 HydrophobicContact CD1-CE3 3.93Å; L81-W113 HydrophobicContact CD1-CG 3.59Å; L81-W113 HydrophobicContact CG-CD2 4.38Å; L81-W113 HydrophobicContact CG-CE3 4.42Å; K82-W113 HydrophobicContact CG-CH2 4.13Å; K82-W113 HydrophobicContact CG-CZ2 3.98Å; F85-W113 HydrophobicContact CB-CH2 4.12Å; F85-W113 HydrophobicContact CB-CZ3 3.96Å; F85-W113 AromaticContact CD2-CZ3 3.95Å; F85-W113 HydrophobicContact CD2-CZ3 3.95Å; F85-W113 HydrophobicContact CG-CH2 4.48Å; F85-W113 HydrophobicContact CG-CZ3 4.24Å; S109-W113 VanDerWaalsContact O-CB 3.32Å; S109-W113 WeakPolarHBondContact O-CB 3.32Å; S109-W113 PolarHBondContact O-N 3.33Å; I110-W113 WeakPolarHBondContact O-CB 3.47Å; I110-W113 PolarHBondContact O-N 2.76Å; I110-W113 VanDerWaalsContact O-N 3.12Å; E111-W113 VanDerWaalsContact C-N 3.35Å; W113-R115 PolarHBondContact O-N 2.97Å; W113-K116 PolarHBondContact O-N 2.72Å; W113-R117 HydrophobicContact CE3-CB 4.32Å; W113-R117 HydrophobicContact CH2-CB 4.28Å; W113-R117 HydrophobicContact CH2-CG 4.05Å; W113-R117 HydrophobicContact CZ3-CB 4.08Å; W113-R117 HydrophobicContact CZ3-CG 4.18Å; W113-R117 WeakPolarHBondContact O-CB 3.27Å; W113-R117 PolarHBondContact O-N 2.93Å
114F92.9Very high89.7Confident2 Ų265.9 Ų65.91%0.00932%0.322CS..Hα-helixtrans-62.9-41.8178.5-86.7-84000111.8L81 V84 F85 P91 L99 I110 E111 R118L81-F114 HydrophobicContact CD2-CE2 3.9Å; L81-F114 HydrophobicContact CD2-CZ 4.4Å; V84-F114 HydrophobicContact CB-CZ 4.15Å; V84-F114 HydrophobicContact CG1-CE1 4.3Å; V84-F114 HydrophobicContact CG1-CZ 3.8Å; F85-F114 HydrophobicContact CB-CE1 3.96Å; F85-F114 AromaticContact CD2-CD1 3.58Å; F85-F114 HydrophobicContact CD2-CD1 3.58Å; F85-F114 AromaticContact CD2-CE1 3.85Å; F85-F114 HydrophobicContact CD2-CE1 3.85Å; F85-F114 HydrophobicContact CE2-CD1 4.31Å; F85-F114 HydrophobicContact CG-CE1 4.39Å; P91-F114 HydrophobicContact CB-CZ 4.39Å; P91-F114 HydrophobicContact CG-CD1 3.73Å; P91-F114 HydrophobicContact CG-CD2 3.74Å; P91-F114 HydrophobicContact CG-CE1 3.68Å; P91-F114 HydrophobicContact CG-CE2 3.68Å; P91-F114 HydrophobicContact CG-CG 3.79Å; P91-F114 HydrophobicContact CG-CZ 3.67Å; L99-F114 HydrophobicContact CD1-CE2 4.13Å; L99-F114 HydrophobicContact CD1-CZ 4.33Å; I110-F114 HydrophobicContact CG2-CD2 3.75Å; I110-F114 HydrophobicContact CG2-CE2 3.72Å; I110-F114 VanDerWaalsContact O-CD2 3.31Å; I110-F114 WeakPolarHBondContact O-CD2 3.32Å; I110-F114 PolarHBondContact O-N 3.19Å; E111-F114 PolarHBondContact O-N 3.07Å; F114-R118 WeakPolarHBondContact O-CG 3.09Å; F114-R118 PolarHBondContact O-N 3.45Å; F114-R118 PolarHBondContact O-NH1 3.47Å
115R90.2Very high89.6Confident150 Ų15059.6 Ų59.657%0.56629%0.289SS*.Hα-helixtrans-61.1-48175.3-179.9176.861.8-178.9-1.4111.7E111 A112 W113 R118 N119E111-R115 VanDerWaalsContact O-CB 3.29Å; E111-R115 WeakPolarHBondContact O-CB 3.38Å; E111-R115 PolarHBondContact O-N 3.32Å; A112-R115 PolarHBondContact O-N 3.48Å; W113-R115 PolarHBondContact O-N 2.97Å; R115-R118 VanDerWaalsContact CA-NH2 3.35Å; R115-R118 PolarHBondContact O-N 3.33Å; R115-N119 WeakPolarHBondContact O-CB 3.35Å; R115-N119 VanDerWaalsContact O-CG 3.25Å; R115-N119 PolarHBondContact O-N 3.22Å; R115-N119 PolarHBondContact O-OD1 3.26Å
116K89.9Confident89.6Confident60 Ų6056.6 Ų56.626%0.26127%0.273SS..Hα-helixtrans-66.1-42.2-179.3-168.4167.8146155.20111.2S73 H74 V75 A112 W113 N119 C120S73-K116 WeakPolarHBondContact OG-CD 3.47Å; S73-K116 WeakPolarHBondContact OG-CE 3.42Å; S73-K116 PolarHBondContact OG-NZ 3.45Å; S73-K116 VanDerWaalsContact OG-NZ 3.15Å; H74-K116 WeakPolarHBondContact O-CE 3.31Å; H74-K116 PolarHBondContact O-NZ 3.29Å; V75-K116 HydrophobicContact CG2-CB 4.29Å; V75-K116 HydrophobicContact CG2-CD 4.38Å; V75-K116 HydrophobicContact CG2-CG 3.83Å; A112-K116 WeakPolarHBondContact O-CB 3.29Å; A112-K116 PolarHBondContact O-N 3.22Å; W113-K116 PolarHBondContact O-N 2.72Å; K116-N119 PolarHBondContact O-N 2.96Å; K116-C120 PolarHBondContact O-N 2.85Å; K116-C120 PolarHBondContact O-SG 3.2Å
117R90.1Very high89.5Confident87 Ų8754.3 Ų54.333%0.32826%0.256SS..Hα-helixtrans-58.4-48.2174-176.363.2-178.7173.51.1111.9V75 F85 W113 N119 C120 E121V75-R117 HydrophobicContact CG1-CB 4.4Å; F85-R117 HydrophobicContact CD1-CG 4.07Å; F85-R117 HydrophobicContact CD2-CB 4.11Å; F85-R117 HydrophobicContact CD2-CG 3.62Å; F85-R117 HydrophobicContact CE1-CG 3.9Å; F85-R117 HydrophobicContact CE2-CB 3.8Å; F85-R117 HydrophobicContact CE2-CG 3.42Å; F85-R117 VanDerWaalsContact CE2-CG 3.42Å; F85-R117 HydrophobicContact CG-CG 3.95Å; F85-R117 HydrophobicContact CZ-CB 4.32Å; F85-R117 HydrophobicContact CZ-CG 3.58Å; W113-R117 HydrophobicContact CE3-CB 4.32Å; W113-R117 HydrophobicContact CH2-CB 4.28Å; W113-R117 HydrophobicContact CH2-CG 4.05Å; W113-R117 HydrophobicContact CZ3-CB 4.08Å; W113-R117 HydrophobicContact CZ3-CG 4.18Å; W113-R117 WeakPolarHBondContact O-CB 3.27Å; W113-R117 PolarHBondContact O-N 2.93Å; R117-N119 VanDerWaalsContact C-N 3.34Å; R117-N119 PolarHBondContact O-N 3.17Å; R117-C120 WeakPolarHBondContact O-CB 3.48Å; R117-C120 PolarHBondContact O-N 2.95Å; R117-E121 PolarHBondContact O-N 3.42Å
118R88.3Confident89.4Confident64 Ų6452.8 Ų52.824%0.24225%0.248CC..Hα-helixtrans-60.2-41.7174.4-72.4-171.2-61.5-87.8-1.3112.6F85 H89 F114 R115 C120 E121 K122F85-R118 HydrophobicContact CE2-CG 3.7Å; F85-R118 HydrophobicContact CZ-CG 3.95Å; H89-R118 WeakPolarHBondContact O-CD 3.48Å; H89-R118 PolarHBondContact O-NH1 3.08Å; F114-R118 WeakPolarHBondContact O-CG 3.09Å; F114-R118 PolarHBondContact O-N 3.45Å; F114-R118 PolarHBondContact O-NH1 3.47Å; R115-R118 VanDerWaalsContact CA-NH2 3.35Å; R115-R118 PolarHBondContact O-N 3.33Å; R118-C120 VanDerWaalsContact C-N 3.28Å; R118-C120 PolarHBondContact O-N 3.44Å; R118-E121 PolarHBondContact O-N 3.01Å; R118-E121 VanDerWaalsContact O-N 3.16Å; R118-K122 PolarHBondContact O-N 3.44Å
119N84.4Confident89.5Confident66 Ų6642.9 Ų42.935%0.35321%0.21SC..Hα-helixtrans-66.3-31.9179.4-71.7-8.8000112R115 K116 R117 E121 K122R115-N119 WeakPolarHBondContact O-CB 3.35Å; R115-N119 VanDerWaalsContact O-CG 3.25Å; R115-N119 PolarHBondContact O-N 3.22Å; R115-N119 PolarHBondContact O-OD1 3.26Å; K116-N119 PolarHBondContact O-N 2.96Å; R117-N119 VanDerWaalsContact C-N 3.34Å; R117-N119 PolarHBondContact O-N 3.17Å; N119-E121 VanDerWaalsContact C-N 3.28Å; N119-E121 PolarHBondContact O-N 3.23Å; N119-K122 PolarHBondContact O-N 3.19Å
120C84.5Confident89.6Confident48 Ų4841.2 Ų41.232%0.32420%0.198SC..Hα-helixtrans-68.4-22.8173.1-67.60000113.9K116 R117 R118K116-C120 PolarHBondContact O-N 2.85Å; K116-C120 PolarHBondContact O-SG 3.2Å; R117-C120 WeakPolarHBondContact O-CB 3.48Å; R117-C120 PolarHBondContact O-N 2.95Å; R118-C120 VanDerWaalsContact C-N 3.28Å; R118-C120 PolarHBondContact O-N 3.44Å
121E81.8Confident89.6Confident99 Ų9942 Ų4246%0.46320%0.202SC..Hα-helixtrans-83.5-12.9175.3-65.9-177.6158.600112.9F85 H89 R117 R118 N119F85-E121 WeakPolarHBondContact CE1-OE1 3.47Å; F85-E121 WeakPolarHBondContact CZ-OE2 3.37Å; H89-E121 IonicContact CE1-OE2 2.67Å; H89-E121 PolarHBondContact CE1-OE2 2.74Å; H89-E121 IonicContact ND1-OE2 3.41Å; H89-E121 PolarHBondContact ND1-OE2 2.87Å; R117-E121 PolarHBondContact O-N 3.42Å; R118-E121 PolarHBondContact O-N 3.01Å; R118-E121 VanDerWaalsContact O-N 3.16Å; N119-E121 VanDerWaalsContact C-N 3.28Å; N119-E121 PolarHBondContact O-N 3.23Å
122K79.3Confident89.8Confident52 Ų5238.1 Ų38.123%0.22618%0.184CC..SBendtrans-77.8135.7178.7-66.7-176.5179-164.40110.2R118 N119 S343R118-K122 PolarHBondContact O-N 3.44Å; N119-K122 PolarHBondContact O-N 3.19Å; K122-S343 PolarHBondContact NZ-OG 3.39Å
123S84Confident90.1Very high18 Ų1837.3 Ų37.313%0.12617%0.174CC..PPolyproline II helixtrans-63.2132.9167.3-176.30000109.8K128 V197S123-K128 WeakPolarHBondContact O-CE 3.23Å; S123-K128 PolarHBondContact O-NZ 3.08Å; S123-V197 VanDerWaalsContact OG-CG2 3.3Å; S123-V197 WeakPolarHBondContact OG-CG2 3.33Å
124P88.1Confident90.2Very high26 Ų2637.5 Ų37.517%0.16917%0.174CC..PPolyproline II helixtrans-61.2149.4175.2-19.931.3000112.1P70 I126 V127 K128 V400P70-P124 HydrophobicContact CG-CB 3.76Å; P70-P124 HydrophobicContact CG-CG 3.59Å; P124-I126 VanDerWaalsContact C-N 3.3Å; P124-I126 HydrophobicContact CB-CG2 4.13Å; P124-I126 PolarHBondContact O-N 3.36Å; P124-V127 HydrophobicContact CB-CG2 4.14Å; P124-V127 HydrophobicContact CG-CG2 4.03Å; P124-V127 PolarHBondContact O-N 2.91Å; P124-V127 VanDerWaalsContact O-N 3.12Å; P124-K128 PolarHBondContact O-N 2.62Å; P124-V400 HydrophobicContact CG-CG1 3.97Å
125T91Very high90.4Very high20 Ų2038.5 Ų38.512%0.12318%0.179CC..Hα-helixtrans-59.4-38.3178.6-67.90000112.5L67 V127 K128 F129 Y250 D344L67-T125 HydrophobicContact CD2-CG2 4.24Å; T125-V127 VanDerWaalsContact C-N 3.31Å; T125-V127 PolarHBondContact O-N 2.88Å; T125-K128 PolarHBondContact O-N 3.29Å; T125-F129 WeakPolarHBondContact O-CB 3.47Å; T125-F129 PolarHBondContact O-N 3.12Å; T125-Y250 HydrophobicContact CG2-CD1 4.01Å; T125-Y250 HydrophobicContact CG2-CG 4.15Å; T125-D344 PolarHBondContact OG1-OD2 3.04Å
126I92.8Very high90.7Very high1 Ų133.6 Ų33.61%0.00516%0.164CC..Hα-helixtrans-61.8-35.3176.1-169.1164.4000113.1L63 L67 F69 P124 F129 V130L63-I126 HydrophobicContact CD2-CD1 3.71Å; L63-I126 HydrophobicContact CG-CD1 4.18Å; L67-I126 HydrophobicContact CB-CB 4.24Å; L67-I126 HydrophobicContact CB-CD1 4.23Å; L67-I126 HydrophobicContact CB-CG1 4.26Å; F69-I126 HydrophobicContact CD1-CD1 4.5Å; F69-I126 HydrophobicContact CD1-CG2 3.59Å; F69-I126 HydrophobicContact CD2-CD1 4.1Å; F69-I126 HydrophobicContact CE1-CD1 4.15Å; F69-I126 HydrophobicContact CE1-CG1 4.42Å; F69-I126 HydrophobicContact CE1-CG2 3.68Å; F69-I126 HydrophobicContact CE2-CD1 3.71Å; F69-I126 HydrophobicContact CG-CD1 4.47Å; F69-I126 HydrophobicContact CG-CG2 4.21Å; F69-I126 HydrophobicContact CZ-CD1 3.73Å; F69-I126 HydrophobicContact CZ-CG1 4.33Å; F69-I126 HydrophobicContact CZ-CG2 4.37Å; P124-I126 VanDerWaalsContact C-N 3.3Å; P124-I126 HydrophobicContact CB-CG2 4.13Å; P124-I126 PolarHBondContact O-N 3.36Å; I126-F129 WeakPolarHBondContact O-CB 3.38Å; I126-F129 PolarHBondContact O-N 3.39Å; I126-V130 VanDerWaalsContact O-CG2 3.3Å; I126-V130 WeakPolarHBondContact O-CG2 3.36Å; I126-V130 PolarHBondContact O-N 3.23Å
127V91.2Very high91.1Very high23 Ų2333 Ų3314%0.13917%0.166CC..Hα-helixtrans-68.2-43.1177.6175.40000110.5P124 T125 F129 V130 E131 V400 F401P124-V127 HydrophobicContact CB-CG2 4.14Å; P124-V127 HydrophobicContact CG-CG2 4.03Å; P124-V127 PolarHBondContact O-N 2.91Å; P124-V127 VanDerWaalsContact O-N 3.12Å; T125-V127 VanDerWaalsContact C-N 3.31Å; T125-V127 PolarHBondContact O-N 2.88Å; V127-F129 VanDerWaalsContact C-N 3.32Å; V127-F129 PolarHBondContact O-N 3.49Å; V127-V130 PolarHBondContact O-N 3.29Å; V127-E131 PolarHBondContact O-N 3.27Å; V127-V400 HydrophobicContact CG2-CG1 4.27Å; V127-F401 HydrophobicContact CG1-CE1 4.37Å; V127-F401 HydrophobicContact CG2-CE1 4.04Å; V127-F401 HydrophobicContact CG2-CZ 4.22Å
128K91.1Very high91.5Very high10 Ų1029.2 Ų29.24%0.04315%0.152CC..Hα-helixtrans-65.4-37.7176.2-56.8177.3-154173.10111.7S123 P124 T125 E131 S132 Y250 S340S123-K128 WeakPolarHBondContact O-CE 3.23Å; S123-K128 PolarHBondContact O-NZ 3.08Å; P124-K128 PolarHBondContact O-N 2.62Å; T125-K128 PolarHBondContact O-N 3.29Å; K128-E131 PolarHBondContact O-N 3.17Å; K128-S132 PolarHBondContact O-N 3.48Å; K128-S132 PolarHBondContact O-OG 3.35Å; K128-Y250 HydrophobicContact CB-CE1 3.98Å; K128-Y250 HydrophobicContact CB-CE2 3.93Å; K128-Y250 HydrophobicContact CD-CE1 4.21Å; K128-Y250 WeakPolarHBondContact O-CE2 3.39Å; K128-S340 PolarHBondContact NZ-O 3.07Å; K128-S340 PolarHBondContact NZ-OG 3.48Å
129F95.5Very high92Very high0 Ų027.2 Ų27.20%015%0.145CC..Hα-helixtrans-59.6-53.9174.4175-88.7000110.9H61 L65 L67 T125 I126 V127 E131 S132 E133 I247 Y250 V251H61-F129 AromaticContact ND1-CZ 3.67Å; L65-F129 HydrophobicContact CD1-CE2 4.2Å; L65-F129 HydrophobicContact CD1-CZ 3.96Å; L67-F129 HydrophobicContact CD1-CB 3.6Å; L67-F129 HydrophobicContact CD1-CD1 3.81Å; L67-F129 HydrophobicContact CD1-CD2 3.59Å; L67-F129 HydrophobicContact CD1-CE1 4.38Å; L67-F129 HydrophobicContact CD1-CE2 4.15Å; L67-F129 HydrophobicContact CD1-CG 3.38Å; T125-F129 WeakPolarHBondContact O-CB 3.47Å; T125-F129 PolarHBondContact O-N 3.12Å; I126-F129 WeakPolarHBondContact O-CB 3.38Å; I126-F129 PolarHBondContact O-N 3.39Å; V127-F129 VanDerWaalsContact C-N 3.32Å; V127-F129 PolarHBondContact O-N 3.49Å; F129-E131 VanDerWaalsContact C-N 3.3Å; F129-E131 PolarHBondContact O-N 2.94Å; F129-S132 CarbonylContact O-C 3.41Å; F129-S132 PolarHBondContact O-N 3.42Å; F129-E133 HydrophobicContact CD1-CG 4.01Å; F129-E133 HydrophobicContact CE1-CG 3.66Å; F129-E133 WeakPolarHBondContact CE1-OE2 3.5Å; F129-E133 HydrophobicContact CE2-CG 4.48Å; F129-E133 VanDerWaalsContact CZ-CD 3.45Å; F129-E133 HydrophobicContact CZ-CG 3.92Å; F129-E133 WeakPolarHBondContact CZ-OE1 3.3Å; F129-E133 WeakPolarHBondContact O-CG 3.39Å; F129-E133 PolarHBondContact O-N 2.92Å; F129-I247 HydrophobicContact CD2-CG2 4.18Å; F129-I247 HydrophobicContact CE2-CB 4.43Å; F129-I247 HydrophobicContact CE2-CG2 3.55Å; F129-I247 HydrophobicContact CZ-CG2 4.25Å; F129-Y250 VanDerWaalsContact CA-CD2 3.49Å; F129-Y250 HydrophobicContact CB-CD2 3.85Å; F129-Y250 HydrophobicContact CB-CG 4.35Å; F129-Y250 HydrophobicContact CD2-CD2 4.26Å; F129-V251 HydrophobicContact CD2-CG1 3.99Å; F129-V251 HydrophobicContact CE2-CG1 3.58Å; F129-V251 HydrophobicContact CZ-CG1 4.47Å
130V95.7Very high92.6Very high9 Ų926.1 Ų26.16%0.05514%0.141CC..Hα-helixtrans-59.2-39.5178.2169.70000112K54 F58 I59 I126 V127 E133 W134K54-V130 HydrophobicContact CB-CG1 4.43Å; K54-V130 HydrophobicContact CD-CG1 4.42Å; K54-V130 HydrophobicContact CG-CG1 3.97Å; F58-V130 HydrophobicContact CB-CB 4.38Å; F58-V130 HydrophobicContact CB-CG1 3.97Å; F58-V130 HydrophobicContact CB-CG2 4.08Å; F58-V130 HydrophobicContact CD2-CG1 4.33Å; I59-V130 HydrophobicContact CG1-CG2 3.88Å; I126-V130 VanDerWaalsContact O-CG2 3.3Å; I126-V130 WeakPolarHBondContact O-CG2 3.36Å; I126-V130 PolarHBondContact O-N 3.23Å; V127-V130 PolarHBondContact O-N 3.29Å; V130-E133 PolarHBondContact O-N 2.96Å; V130-W134 PolarHBondContact O-N 3.45Å
131E93.2Very high93.2Very high17 Ų1727.8 Ų27.88%0.07915%0.15CC..Hα-helixtrans-61.3-44.7174.3-171.6-166.9136.500111.7V127 K128 F129 K135 R199V127-E131 PolarHBondContact O-N 3.27Å; K128-E131 PolarHBondContact O-N 3.17Å; F129-E131 VanDerWaalsContact C-N 3.3Å; F129-E131 PolarHBondContact O-N 2.94Å; E131-K135 HydrophobicContact CG-CD 4.33Å; E131-K135 VanDerWaalsContact O-CG 3.3Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-N 2.86Å; E131-K135 VanDerWaalsContact O-N 3.11Å; E131-K135 IonicContact OE1-NZ 3.12Å; E131-K135 PolarHBondContact OE1-NZ 3.16Å; E131-R199 IonicContact OE1-NH2 2.7Å; E131-R199 PolarHBondContact OE1-NH2 3.36Å
132S95.8Very high94Very high1 Ų123.7 Ų23.71%0.00713%0.131CC..Hα-helixtrans-68.4-35176.8-77.60000112.7K128 F129 K135 L136 E243K128-S132 PolarHBondContact O-N 3.48Å; K128-S132 PolarHBondContact O-OG 3.35Å; F129-S132 CarbonylContact O-C 3.41Å; F129-S132 PolarHBondContact O-N 3.42Å; S132-K135 PolarHBondContact O-N 3.07Å; S132-L136 WeakPolarHBondContact O-CB 3.3Å; S132-L136 PolarHBondContact O-N 3.49Å; S132-E243 VanDerWaalsContact CB-OE2 3.28Å; S132-E243 WeakPolarHBondContact CB-OE2 3.34Å; S132-E243 PolarHBondContact OG-OE2 3.39Å
133E97.4Very high94.9Very high20 Ų2023 Ų239%0.09313%0.127CC..Hα-helixtrans-64.4-45.3174.6-68.1-148.1121.500112.5F58 H61 F129 V130 K135 L136 C137 I247F58-E133 WeakPolarHBondContact CA-OE2 3.36Å; F58-E133 HydrophobicContact CB-CB 4.32Å; F58-E133 VanDerWaalsContact CB-OE2 3.27Å; F58-E133 WeakPolarHBondContact CB-OE2 3.42Å; F58-E133 HydrophobicContact CD1-CB 3.71Å; F58-E133 WeakPolarHBondContact CD1-OE2 3.36Å; F58-E133 HydrophobicContact CD2-CB 4.42Å; F58-E133 HydrophobicContact CE1-CB 4.08Å; F58-E133 HydrophobicContact CG-CB 3.91Å; H61-E133 IonicContact CE1-OE1 2.91Å; H61-E133 PolarHBondContact CE1-OE1 3.36Å; H61-E133 IonicContact CG-OE1 3.43Å; H61-E133 IonicContact ND1-OE1 2.8Å; H61-E133 PolarHBondContact ND1-OE1 3.44Å; H61-E133 IonicContact ND1-OE2 2.87Å; F129-E133 HydrophobicContact CD1-CG 4.01Å; F129-E133 HydrophobicContact CE1-CG 3.66Å; F129-E133 WeakPolarHBondContact CE1-OE2 3.5Å; F129-E133 HydrophobicContact CE2-CG 4.48Å; F129-E133 VanDerWaalsContact CZ-CD 3.45Å; F129-E133 HydrophobicContact CZ-CG 3.92Å; F129-E133 WeakPolarHBondContact CZ-OE1 3.3Å; F129-E133 WeakPolarHBondContact O-CG 3.39Å; F129-E133 PolarHBondContact O-N 2.92Å; V130-E133 PolarHBondContact O-N 2.96Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 3.47Å; E133-L136 PolarHBondContact O-N 2.99Å; E133-C137 VanDerWaalsContact O-CB 3.3Å; E133-C137 WeakPolarHBondContact O-CB 2.98Å; E133-C137 PolarHBondContact O-N 3.17Å; E133-I247 HydrophobicContact CG-CD1 3.99Å; E133-I247 HydrophobicContact CG-CG1 4.17Å
134W96.6Very high95.6Very high14 Ų1428.2 Ų28.25%0.05315%0.148CC..Hα-helixtrans-56.4-47.9173.2166.5-113000111.4L46 I49 R50 L53 F58 V130 C137 Y138 Y185L46-W134 HydrophobicContact CD2-CH2 4.27Å; L46-W134 WeakPolarHBondContact O-CH2 3.45Å; I49-W134 HydrophobicContact CG2-CH2 4.46Å; I49-W134 HydrophobicContact CG2-CZ3 4.05Å; R50-W134 HydrophobicContact CB-CD2 3.96Å; R50-W134 HydrophobicContact CB-CE3 3.95Å; R50-W134 HydrophobicContact CB-CH2 3.73Å; R50-W134 HydrophobicContact CB-CZ2 3.74Å; R50-W134 HydrophobicContact CB-CZ3 3.84Å; R50-W134 HydrophobicContact CG-CD2 3.66Å; R50-W134 HydrophobicContact CG-CE3 4.05Å; R50-W134 HydrophobicContact CG-CG 3.98Å; R50-W134 HydrophobicContact CG-CH2 4.49Å; R50-W134 HydrophobicContact CG-CZ2 4.17Å; R50-W134 HydrophobicContact CG-CZ3 4.44Å; L53-W134 HydrophobicContact CD1-CZ3 4.29Å; F58-W134 HydrophobicContact CD2-CB 4.39Å; F58-W134 HydrophobicContact CE2-CB 3.83Å; F58-W134 HydrophobicContact CE2-CE3 4.09Å; F58-W134 HydrophobicContact CZ-CE3 4.42Å; V130-W134 PolarHBondContact O-N 3.45Å; W134-C137 PolarHBondContact O-N 2.89Å; W134-Y138 WeakPolarHBondContact O-CB 3.44Å; W134-Y138 PolarHBondContact O-N 3.25Å; W134-Y185 AromaticContact NE1-CE2 3.87Å
135K96.4Very high96.1Very high23 Ų2330.4 Ų30.410%0.115%0.154CC..Hα-helixtrans-64.2-44-179.9-71.1175.2177.6176.80111.6E131 S132 E133 Y138 Y139 E196 E243E131-K135 HydrophobicContact CG-CD 4.33Å; E131-K135 VanDerWaalsContact O-CG 3.3Å; E131-K135 WeakPolarHBondContact O-CG 3.48Å; E131-K135 PolarHBondContact O-N 2.86Å; E131-K135 VanDerWaalsContact O-N 3.11Å; E131-K135 IonicContact OE1-NZ 3.12Å; E131-K135 PolarHBondContact OE1-NZ 3.16Å; S132-K135 PolarHBondContact O-N 3.07Å; E133-K135 VanDerWaalsContact C-N 3.31Å; E133-K135 PolarHBondContact O-N 3.47Å; K135-Y138 PolarHBondContact O-N 2.97Å; K135-Y139 HydrophobicContact CB-CD2 4.15Å; K135-Y139 HydrophobicContact CB-CE2 3.93Å; K135-Y139 HydrophobicContact CG-CE2 4.41Å; K135-Y139 WeakPolarHBondContact O-CB 3.34Å; K135-Y139 WeakPolarHBondContact O-CD2 3.45Å; K135-Y139 PolarHBondContact O-N 3.17Å; K135-E196 IonicContact NZ-OE2 3.87Å; K135-E243 HydrophobicContact CB-CB 4.47Å; K135-E243 HydrophobicContact CB-CG 3.7Å
136L98.2Very high96.4Very high47 Ų4729.5 Ų29.525%0.24615%0.148CC..Hα-helixtrans-59.9-48.2175.8177.762.9000111.4S132 E133 Y138 T140 C240 E243 A244 I247S132-L136 WeakPolarHBondContact O-CB 3.3Å; S132-L136 PolarHBondContact O-N 3.49Å; E133-L136 PolarHBondContact O-N 2.99Å; L136-Y138 VanDerWaalsContact C-N 3.34Å; L136-Y138 PolarHBondContact O-N 3.41Å; L136-T140 WeakPolarHBondContact O-CB 3.03Å; L136-T140 PolarHBondContact O-N 2.98Å; L136-T140 PolarHBondContact O-OG1 3.2Å; L136-C240 HydrophobicContact CD1-CB 4.4Å; L136-C240 VanDerWaalsContact CD1-O 3.25Å; L136-C240 WeakPolarHBondContact CD1-O 3.47Å; L136-E243 HydrophobicContact CB-CB 4.05Å; L136-A244 HydrophobicContact CD1-CB 4.13Å; L136-A244 HydrophobicContact CD2-CB 4.3Å; L136-I247 HydrophobicContact CB-CD1 3.91Å; L136-I247 HydrophobicContact CD2-CD1 3.48Å; L136-I247 VanDerWaalsContact CD2-CD1 3.48Å; L136-I247 HydrophobicContact CG-CD1 4.32Å
137C97.8Very high96.7Very high47 Ų4732.2 Ų32.232%0.31816%0.162SC..Hα-helixtrans-58.3-47.2178.1179.90000111.1F58 E133 W134 T141F58-C137 HydrophobicContact CZ-CB 4.17Å; E133-C137 VanDerWaalsContact O-CB 3.3Å; E133-C137 WeakPolarHBondContact O-CB 2.98Å; E133-C137 PolarHBondContact O-N 3.17Å; W134-C137 PolarHBondContact O-N 2.89Å; C137-T141 WeakPolarHBondContact O-CB 3.33Å; C137-T141 PolarHBondContact O-N 3.43Å; C137-T141 VanDerWaalsContact O-N 3.08Å; C137-T141 PolarHBondContact O-OG1 2.97Å
138Y98Very high97Very high9 Ų937.1 Ų37.14%0.03518%0.182CC..Hα-helixtrans-61.5-58.5178173.3-95.6000112.4L46 W134 K135 L136 T140 T141 M142 V181 Q182 Y185L46-Y138 HydrophobicContact CD1-CE2 4.29Å; L46-Y138 HydrophobicContact CD2-CD2 4.24Å; L46-Y138 HydrophobicContact CD2-CE2 4.24Å; W134-Y138 WeakPolarHBondContact O-CB 3.44Å; W134-Y138 PolarHBondContact O-N 3.25Å; K135-Y138 PolarHBondContact O-N 2.97Å; L136-Y138 VanDerWaalsContact C-N 3.34Å; L136-Y138 PolarHBondContact O-N 3.41Å; Y138-T140 VanDerWaalsContact C-N 3.3Å; Y138-T140 PolarHBondContact O-N 3.4Å; Y138-T141 PolarHBondContact O-N 2.97Å; Y138-T141 VanDerWaalsContact O-N 3.16Å; Y138-M142 HydrophobicContact CD1-CG 4.44Å; Y138-M142 HydrophobicContact CD2-CG 4.12Å; Y138-M142 HydrophobicContact CE1-CG 3.96Å; Y138-M142 HydrophobicContact CE2-CG 3.61Å; Y138-M142 HydrophobicContact CE2-SD 4.27Å; Y138-M142 WeakPolarHBondContact O-CG 3.22Å; Y138-M142 PolarHBondContact O-N 3.27Å; Y138-V181 HydrophobicContact CE2-CG1 4.43Å; Y138-Q182 WeakPolarHBondContact OH-CA 3.4Å; Y138-Y185 HydrophobicContact CD1-CD1 4.23Å; Y138-Y185 AromaticContact CD1-CD2 3.87Å; Y138-Y185 HydrophobicContact CD1-CD2 3.87Å; Y138-Y185 HydrophobicContact CD1-CE1 4.02Å; Y138-Y185 AromaticContact CD1-CE2 3.6Å; Y138-Y185 HydrophobicContact CD1-CE2 3.6Å; Y138-Y185 HydrophobicContact CD1-CG 4.17Å; Y138-Y185 AromaticContact CD1-CZ 3.68Å; Y138-Y185 AromaticContact CD2-CD2 3.7Å; Y138-Y185 HydrophobicContact CD2-CD2 3.7Å; Y138-Y185 HydrophobicContact CD2-CE2 4.01Å; Y138-Y185 HydrophobicContact CD2-CG 4.3Å; Y138-Y185 AromaticContact CE1-CD1 3.5Å; Y138-Y185 HydrophobicContact CE1-CD1 3.5Å; Y138-Y185 VanDerWaalsContact CE1-CD1 3.5Å; Y138-Y185 AromaticContact CE1-CD2 3.69Å; Y138-Y185 HydrophobicContact CE1-CD2 3.69Å; Y138-Y185 AromaticContact CE1-CE1 3.66Å; Y138-Y185 HydrophobicContact CE1-CE1 3.66Å; Y138-Y185 AromaticContact CE1-CE2 3.82Å; Y138-Y185 HydrophobicContact CE1-CE2 3.82Å; Y138-Y185 AromaticContact CE1-CG 3.52Å; Y138-Y185 HydrophobicContact CE1-CG 3.52Å; Y138-Y185 AromaticContact CE1-CZ 3.81Å; Y138-Y185 HydrophobicContact CE2-CD1 4.48Å; Y138-Y185 AromaticContact CE2-CD2 3.5Å; Y138-Y185 HydrophobicContact CE2-CD2 3.5Å; Y138-Y185 HydrophobicContact CE2-CE2 4.2Å; Y138-Y185 AromaticContact CE2-CG 3.66Å; Y138-Y185 HydrophobicContact CE2-CG 3.66Å; Y138-Y185 AromaticContact CG-CD2 3.88Å; Y138-Y185 HydrophobicContact CG-CD2 3.88Å; Y138-Y185 AromaticContact CG-CE2 3.7Å; Y138-Y185 HydrophobicContact CG-CE2 3.7Å; Y138-Y185 VanDerWaalsContact CZ-CB 3.42Å; Y138-Y185 AromaticContact CZ-CD1 3.65Å; Y138-Y185 AromaticContact CZ-CD2 3.51Å; Y138-Y185 AromaticContact CZ-CG 3.23Å; Y138-Y185 WeakPolarHBondContact OH-CB 3.46Å
139Y98.2Very high97.3Very high21 Ų2136.8 Ų36.88%0.08218%0.181CC..Hα-helixtrans-63.4-37.1-175.6-68.2-55.8000111.9K135 M142 F143 Y185 D239 E243K135-Y139 HydrophobicContact CB-CD2 4.15Å; K135-Y139 HydrophobicContact CB-CE2 3.93Å; K135-Y139 HydrophobicContact CG-CE2 4.41Å; K135-Y139 WeakPolarHBondContact O-CB 3.34Å; K135-Y139 WeakPolarHBondContact O-CD2 3.45Å; K135-Y139 PolarHBondContact O-N 3.17Å; Y139-M142 PolarHBondContact O-N 3.44Å; Y139-F143 WeakPolarHBondContact O-CB 3.18Å; Y139-F143 PolarHBondContact O-N 3.02Å; Y139-Y185 HydrophobicContact CE1-CE1 4.2Å; Y139-Y185 PolarHBondContact OH-OH 3.31Å; Y139-D239 HydrophobicContact CD1-CB 4.16Å; Y139-D239 HydrophobicContact CD2-CB 3.65Å; Y139-D239 HydrophobicContact CE1-CB 4.29Å; Y139-D239 HydrophobicContact CE2-CB 3.79Å; Y139-D239 HydrophobicContact CG-CB 3.86Å; Y139-E243 HydrophobicContact CD2-CG 4.48Å
140T98Very high97.3Very high43 Ų4336.8 Ų36.826%0.26418%0.181SC..Hα-helixtrans-63.6-46.2176.4-56.80000110.5L136 Y138 F143 F144 C240L136-T140 WeakPolarHBondContact O-CB 3.03Å; L136-T140 PolarHBondContact O-N 2.98Å; L136-T140 PolarHBondContact O-OG1 3.2Å; Y138-T140 VanDerWaalsContact C-N 3.3Å; Y138-T140 PolarHBondContact O-N 3.4Å; T140-F143 PolarHBondContact O-N 3.12Å; T140-F144 HydrophobicContact CG2-CD2 3.82Å; T140-F144 HydrophobicContact CG2-CE2 3.6Å; T140-F144 WeakPolarHBondContact O-CD2 3.45Å; T140-F144 PolarHBondContact O-N 2.94Å; T140-F144 VanDerWaalsContact O-N 3.11Å; T140-C240 PolarHBondContact N-SG 2.97Å; T140-C240 VanDerWaalsContact N-SG 3.43Å
141T98.1Very high97.4Very high84 Ų8441.4 Ų41.452%0.51520%0.202SC..Hα-helixtrans-62.6-46178.2-56.30000111.3C137 Y138 F144 Y145C137-T141 WeakPolarHBondContact O-CB 3.33Å; C137-T141 PolarHBondContact O-N 3.43Å; C137-T141 VanDerWaalsContact O-N 3.08Å; C137-T141 PolarHBondContact O-OG1 2.97Å; Y138-T141 PolarHBondContact O-N 2.97Å; Y138-T141 VanDerWaalsContact O-N 3.16Å; T141-F144 PolarHBondContact O-N 3.41Å; T141-Y145 WeakPolarHBondContact O-CB 3.45Å; T141-Y145 PolarHBondContact O-N 3.21Å
142M98Very high97.5Very high13 Ų1345.1 Ų45.16%0.06422%0.222CC..Hα-helixtrans-67.7-35.2179.2-68.1-45.9-64.600112.7Y138 Y139 Y145 G146 Y178 V181 Q182Y138-M142 HydrophobicContact CD1-CG 4.44Å; Y138-M142 HydrophobicContact CD2-CG 4.12Å; Y138-M142 HydrophobicContact CE1-CG 3.96Å; Y138-M142 HydrophobicContact CE2-CG 3.61Å; Y138-M142 HydrophobicContact CE2-SD 4.27Å; Y138-M142 WeakPolarHBondContact O-CG 3.22Å; Y138-M142 PolarHBondContact O-N 3.27Å; Y139-M142 PolarHBondContact O-N 3.44Å; M142-Y145 PolarHBondContact O-N 3.46Å; M142-G146 PolarHBondContact O-N 3.23Å; M142-Y178 HydrophobicContact CE-CD2 3.52Å; M142-Y178 HydrophobicContact CE-CE2 3.79Å; M142-Y178 WeakPolarHBondContact O-CE2 3.44Å; M142-V181 HydrophobicContact CE-CB 4Å; M142-V181 HydrophobicContact CE-CG1 3.8Å; M142-V181 HydrophobicContact SD-CB 4.41Å; M142-V181 HydrophobicContact SD-CG1 3.59Å; M142-V181 VanDerWaalsContact SD-CG1 3.59Å; M142-Q182 HydrophobicContact CE-CG 3.62Å
143F98.1Very high97.5Very high36 Ų3646.9 Ų46.916%0.15823%0.23CC..Hα-helixtrans-62.8-48.7174.6176.6-105.3000111.6Y139 T140 Y145 G146 L147 I233 D236 I237Y139-F143 WeakPolarHBondContact O-CB 3.18Å; Y139-F143 PolarHBondContact O-N 3.02Å; T140-F143 PolarHBondContact O-N 3.12Å; F143-Y145 PolarHBondContact O-N 3.38Å; F143-G146 PolarHBondContact O-N 2.97Å; F143-L147 HydrophobicContact CD1-CD1 4.21Å; F143-L147 HydrophobicContact CE1-CD1 3.57Å; F143-L147 HydrophobicContact CE1-CG 4.17Å; F143-L147 HydrophobicContact CE2-CG 4.45Å; F143-L147 HydrophobicContact CZ-CD1 3.83Å; F143-L147 HydrophobicContact CZ-CD2 4.18Å; F143-L147 HydrophobicContact CZ-CG 4.06Å; F143-L147 PolarHBondContact O-N 3.3Å; F143-I233 HydrophobicContact CD2-CD1 4.31Å; F143-I233 HydrophobicContact CD2-CG1 3.7Å; F143-I233 HydrophobicContact CE2-CD1 4.13Å; F143-I233 HydrophobicContact CE2-CG1 3.77Å; F143-D236 HydrophobicContact CB-CB 4.23Å; F143-I237 HydrophobicContact CD1-CD1 4.07Å; F143-I237 HydrophobicContact CD2-CB 3.71Å; F143-I237 HydrophobicContact CD2-CD1 4.05Å; F143-I237 HydrophobicContact CD2-CG1 4.29Å; F143-I237 HydrophobicContact CE1-CD1 3.72Å; F143-I237 HydrophobicContact CE2-CB 3.56Å; F143-I237 HydrophobicContact CE2-CD1 3.72Å; F143-I237 HydrophobicContact CE2-CG1 3.82Å; F143-I237 HydrophobicContact CG-CD1 4.21Å; F143-I237 HydrophobicContact CZ-CB 4.28Å; F143-I237 HydrophobicContact CZ-CD1 3.54Å; F143-I237 HydrophobicContact CZ-CG1 4.02Å
144F98.4Very high97.5Very high128 Ų12849 Ų4956%0.56125%0.246SC*.Hα-helixtrans-65.7-37.5176.9-76.7-65.6000112.6T140 T141 G146 L147 F148T140-F144 HydrophobicContact CG2-CD2 3.82Å; T140-F144 HydrophobicContact CG2-CE2 3.6Å; T140-F144 WeakPolarHBondContact O-CD2 3.45Å; T140-F144 PolarHBondContact O-N 2.94Å; T140-F144 VanDerWaalsContact O-N 3.11Å; T141-F144 PolarHBondContact O-N 3.41Å; F144-G146 VanDerWaalsContact C-N 3.32Å; F144-L147 HydrophobicContact CD1-CD1 4.14Å; F144-L147 PolarHBondContact O-N 3.28Å; F144-F148 PolarHBondContact O-N 3.42Å
145Y98.1Very high97.4Very high73 Ų7348.9 Ų48.929%0.28625%0.246SC..Hα-helixtrans-61.7-42.7171.5-170.9-77.5000111.3T141 M142 F143 L147 F148 A149 E174 Y178T141-Y145 WeakPolarHBondContact O-CB 3.45Å; T141-Y145 PolarHBondContact O-N 3.21Å; M142-Y145 PolarHBondContact O-N 3.46Å; F143-Y145 PolarHBondContact O-N 3.38Å; Y145-L147 PolarHBondContact O-N 3.09Å; Y145-F148 WeakPolarHBondContact O-CB 3.49Å; Y145-F148 PolarHBondContact O-N 2.85Å; Y145-A149 HydrophobicContact CD1-CB 4.22Å; Y145-A149 HydrophobicContact CE1-CB 4Å; Y145-A149 WeakPolarHBondContact O-CB 3.3Å; Y145-A149 PolarHBondContact O-N 3.45Å; Y145-E174 WeakPolarHBondContact CE1-O 3.36Å; Y145-E174 PolarHBondContact OH-O 3.44Å; Y145-Y178 AromaticContact CD1-CD2 3.46Å; Y145-Y178 HydrophobicContact CD1-CD2 3.46Å; Y145-Y178 VanDerWaalsContact CD1-CD2 3.46Å; Y145-Y178 HydrophobicContact CD1-CE2 4.32Å; Y145-Y178 HydrophobicContact CD1-CG 4.01Å; Y145-Y178 HydrophobicContact CE1-CD2 4.07Å; Y145-Y178 HydrophobicContact CE1-CG 4.2Å; Y145-Y178 HydrophobicContact CG-CD2 4.44Å
146G98.2Very high97.4Very high0 Ų049.9 Ų49.90%025%0.251CS..Hα-helixtrans-58.6-45.617600000111.8M142 F143 F144 F148 A149 L150M142-G146 PolarHBondContact O-N 3.23Å; F143-G146 PolarHBondContact O-N 2.97Å; F144-G146 VanDerWaalsContact C-N 3.32Å; G146-F148 PolarHBondContact O-N 2.86Å; G146-A149 PolarHBondContact O-N 3.09Å; G146-L150 WeakPolarHBondContact O-CB 3.38Å; G146-L150 WeakPolarHBondContact O-CG 3.36Å; G146-L150 PolarHBondContact O-N 3.28Å
147L97.9Very high97.3Very high59 Ų5956.8 Ų56.831%0.30927%0.273SS..Hα-helixtrans-57.9-48.3173.9-70.8176.8000111.3F143 F144 Y145 A149 L150 H151 F156 I233F143-L147 HydrophobicContact CD1-CD1 4.21Å; F143-L147 HydrophobicContact CE1-CD1 3.57Å; F143-L147 HydrophobicContact CE1-CG 4.17Å; F143-L147 HydrophobicContact CE2-CG 4.45Å; F143-L147 HydrophobicContact CZ-CD1 3.83Å; F143-L147 HydrophobicContact CZ-CD2 4.18Å; F143-L147 HydrophobicContact CZ-CG 4.06Å; F143-L147 PolarHBondContact O-N 3.3Å; F144-L147 HydrophobicContact CD1-CD1 4.14Å; F144-L147 PolarHBondContact O-N 3.28Å; Y145-L147 PolarHBondContact O-N 3.09Å; L147-A149 PolarHBondContact O-N 3.45Å; L147-L150 PolarHBondContact O-N 3.42Å; L147-H151 VanDerWaalsContact O-CB 3.31Å; L147-H151 WeakPolarHBondContact O-CB 3.41Å; L147-H151 PolarHBondContact O-N 3.39Å; L147-F156 HydrophobicContact CD2-CZ 3.91Å; L147-I233 HydrophobicContact CD2-CD1 3.85Å; L147-I233 HydrophobicContact CG-CD1 4.1Å
148F97.6Very high97.1Very high126 Ų12656.5 Ų56.555%0.55327%0.269SS*.Hα-helixtrans-59.3-46.1176.8166-99.6000112.3F144 Y145 G146 L150 H151 E174F144-F148 PolarHBondContact O-N 3.42Å; Y145-F148 WeakPolarHBondContact O-CB 3.49Å; Y145-F148 PolarHBondContact O-N 2.85Å; G146-F148 PolarHBondContact O-N 2.86Å; F148-L150 VanDerWaalsContact C-N 3.34Å; F148-L150 PolarHBondContact O-N 3.42Å; F148-H151 PolarHBondContact O-CE1 2.92Å; F148-H151 PolarHBondContact O-ND1 3.35Å; F148-E174 HydrophobicContact CE1-CG 4.25Å
149A97.3Very high97Very high2 Ų256.2 Ų56.22%0.01727%0.268CS..Hα-helixtrans-74.5-22.7-175.800000113.8Y145 G146 L147 E174 I175Y145-A149 HydrophobicContact CD1-CB 4.22Å; Y145-A149 HydrophobicContact CE1-CB 4Å; Y145-A149 WeakPolarHBondContact O-CB 3.3Å; Y145-A149 PolarHBondContact O-N 3.45Å; G146-A149 PolarHBondContact O-N 3.09Å; L147-A149 PolarHBondContact O-N 3.45Å; A149-E174 HydrophobicContact CB-CB 4.1Å; A149-I175 HydrophobicContact CB-CD1 4Å
150L97.2Very high96.7Very high0 Ų061 Ų610%029%0.286CS..Hα-helixtrans-107.6-18.6-173.1-69.9168.8000114.8G146 L147 F148 D152 K153 Y155 F156 I175 Y178 A229 I233G146-L150 WeakPolarHBondContact O-CB 3.38Å; G146-L150 WeakPolarHBondContact O-CG 3.36Å; G146-L150 PolarHBondContact O-N 3.28Å; L147-L150 PolarHBondContact O-N 3.42Å; F148-L150 VanDerWaalsContact C-N 3.34Å; F148-L150 PolarHBondContact O-N 3.42Å; L150-D152 PolarHBondContact O-N 3.22Å; L150-D152 VanDerWaalsContact O-N 3.1Å; L150-K153 HydrophobicContact CD2-CG 4.5Å; L150-K153 WeakPolarHBondContact O-CB 3.39Å; L150-K153 PolarHBondContact O-N 3.14Å; L150-Y155 HydrophobicContact CD2-CD2 4.32Å; L150-Y155 HydrophobicContact CD2-CE2 3.48Å; L150-Y155 VanDerWaalsContact CD2-CE2 3.48Å; L150-F156 HydrophobicContact CB-CB 4.02Å; L150-F156 HydrophobicContact CB-CD2 3.69Å; L150-F156 HydrophobicContact CB-CE2 4.35Å; L150-F156 HydrophobicContact CB-CG 3.85Å; L150-F156 HydrophobicContact CD1-CD2 4.14Å; L150-F156 HydrophobicContact CG-CD2 4.48Å; L150-F156 WeakPolarHBondContact O-CB 3.45Å; L150-I175 HydrophobicContact CD2-CD1 3.72Å; L150-I175 HydrophobicContact CG-CD1 4.23Å; L150-Y178 HydrophobicContact CD1-CE1 4.48Å; L150-A229 HydrophobicContact CD1-CB 4.4Å; L150-A229 HydrophobicContact CD2-CB 3.91Å; L150-I233 HydrophobicContact CD1-CB 4.2Å; L150-I233 HydrophobicContact CD1-CD1 4.2Å; L150-I233 HydrophobicContact CD1-CG2 3.89Å
151H96.8Very high96.5Very high106 Ų10660.8 Ų60.849%0.49128%0.283SS..THydrogen-bonded Turntrans-55.8-34.6-170.975.3-69.3000114.6L147 F148 W157L147-H151 VanDerWaalsContact O-CB 3.31Å; L147-H151 WeakPolarHBondContact O-CB 3.41Å; L147-H151 PolarHBondContact O-N 3.39Å; F148-H151 PolarHBondContact O-CE1 2.92Å; F148-H151 PolarHBondContact O-ND1 3.35Å; H151-W157 PolarHBondContact O-NE1 3Å; H151-W157 VanDerWaalsContact O-NE1 3.13Å
152D96.2Very high96.3Very high96 Ų9656.8 Ų56.851%0.51326%0.259SS..THydrogen-bonded Turntrans-90.5-1.3-17871.4-38.4000113.1L150L150-D152 PolarHBondContact O-N 3.22Å; L150-D152 VanDerWaalsContact O-N 3.1Å
153K95.9Very high95.9Very high37 Ų3756.9 Ų56.916%0.16126%0.259CS..  trans-95.7129.1-177.1-48.8-53.4-179.6-145.40110L150 Y155 F156L150-K153 HydrophobicContact CD2-CG 4.5Å; L150-K153 WeakPolarHBondContact O-CB 3.39Å; L150-K153 PolarHBondContact O-N 3.14Å; K153-Y155 HydrophobicContact CB-CD1 3.97Å; K153-Y155 HydrophobicContact CB-CD2 4.35Å; K153-Y155 HydrophobicContact CB-CE1 3.56Å; K153-Y155 HydrophobicContact CB-CE2 3.99Å; K153-Y155 HydrophobicContact CB-CG 4.34Å; K153-Y155 HydrophobicContact CD-CE1 4.47Å; K153-Y155 HydrophobicContact CG-CE1 4.06Å; K153-Y155 HydrophobicContact CG-CE2 4.41Å; K153-Y155 PolarHBondContact O-N 3.34Å; K153-F156 VanDerWaalsContact O-CB 3.3Å; K153-F156 WeakPolarHBondContact O-CB 3.47Å; K153-F156 PolarHBondContact O-N 2.87Å; K153-F156 VanDerWaalsContact O-N 3.07Å
154S96.5Very high95.5Very high64 Ų6459 Ų5945%0.44827%0.271SS..Hα-helixtrans-60.2-34.9-177.974.90000112.7F156 W157 D158 D161S154-F156 PolarHBondContact O-N 3.36Å; S154-W157 PolarHBondContact O-N 3.37Å; S154-D158 PolarHBondContact O-N 3.47Å; S154-D161 WeakPolarHBondContact CB-OD2 3.42Å; S154-D161 WeakPolarHBondContact OG-CB 3.36Å; S154-D161 PolarHBondContact OG-OD2 2.95Å
155Y95.1Very high95Very high13 Ų1359 Ų595%0.05128%0.277CS..Hα-helixtrans-70.1-10.1179.460.5-99.8000115.5L150 K153 D158 A162 R226 V230L150-Y155 HydrophobicContact CD2-CD2 4.32Å; L150-Y155 HydrophobicContact CD2-CE2 3.48Å; L150-Y155 VanDerWaalsContact CD2-CE2 3.48Å; K153-Y155 HydrophobicContact CB-CD1 3.97Å; K153-Y155 HydrophobicContact CB-CD2 4.35Å; K153-Y155 HydrophobicContact CB-CE1 3.56Å; K153-Y155 HydrophobicContact CB-CE2 3.99Å; K153-Y155 HydrophobicContact CB-CG 4.34Å; K153-Y155 HydrophobicContact CD-CE1 4.47Å; K153-Y155 HydrophobicContact CG-CE1 4.06Å; K153-Y155 HydrophobicContact CG-CE2 4.41Å; K153-Y155 PolarHBondContact O-N 3.34Å; Y155-D158 VanDerWaalsContact CA-O 3.31Å; Y155-D158 WeakPolarHBondContact CA-O 3.45Å; Y155-A162 VanDerWaalsContact CB-N 3.33Å; Y155-A162 HydrophobicContact CG-CB 4.47Å; Y155-R226 HydrophobicContact CD1-CB 4.2Å; Y155-R226 HydrophobicContact CD1-CG 3.99Å; Y155-R226 HydrophobicContact CD2-CB 4.03Å; Y155-R226 HydrophobicContact CE1-CB 4.16Å; Y155-R226 HydrophobicContact CE1-CG 3.64Å; Y155-R226 HydrophobicContact CE2-CB 3.99Å; Y155-R226 HydrophobicContact CE2-CG 4.25Å; Y155-R226 HydrophobicContact CG-CB 4.13Å; Y155-R226 HydrophobicContact CG-CG 4.43Å; Y155-V230 HydrophobicContact CD2-CG2 4.03Å; Y155-V230 WeakPolarHBondContact O-CG2 3.45Å
156F96.1Very high94.6Very high44 Ų4456.5 Ų56.519%0.19327%0.268CS..Hα-helixtrans-71.5-35.9168.5179.3-119.3000111.6L147 L150 K153 S154 I233L147-F156 HydrophobicContact CD2-CZ 3.91Å; L150-F156 HydrophobicContact CB-CB 4.02Å; L150-F156 HydrophobicContact CB-CD2 3.69Å; L150-F156 HydrophobicContact CB-CE2 4.35Å; L150-F156 HydrophobicContact CB-CG 3.85Å; L150-F156 HydrophobicContact CD1-CD2 4.14Å; L150-F156 HydrophobicContact CG-CD2 4.48Å; L150-F156 WeakPolarHBondContact O-CB 3.45Å; K153-F156 VanDerWaalsContact O-CB 3.3Å; K153-F156 WeakPolarHBondContact O-CB 3.47Å; K153-F156 PolarHBondContact O-N 2.87Å; K153-F156 VanDerWaalsContact O-N 3.07Å; S154-F156 PolarHBondContact O-N 3.36Å; F156-I233 HydrophobicContact CE2-CD1 4Å; F156-I233 HydrophobicContact CE2-CG2 4.48Å
157W95.5Very high94.1Very high191 Ų19156.8 Ų56.872%0.72327%0.27SS*.Hα-helixtrans-90.8-32.6-178.4-58104.3000112.3H151 S154H151-W157 PolarHBondContact O-NE1 3Å; H151-W157 VanDerWaalsContact O-NE1 3.13Å; S154-W157 PolarHBondContact O-N 3.37Å
158D94.7Very high93.7Very high41 Ų4160.6 Ų60.622%0.21928%0.281CS..  trans-133.3106.8175.3-170.6-12.3000111.8S154 Y155 R160 D161S154-D158 PolarHBondContact O-N 3.47Å; Y155-D158 VanDerWaalsContact CA-O 3.31Å; Y155-D158 WeakPolarHBondContact CA-O 3.45Å; D158-R160 VanDerWaalsContact CG-NE 3.3Å; D158-R160 PolarHBondContact O-N 3.35Å; D158-R160 VanDerWaalsContact OD1-CB 3.24Å; D158-R160 WeakPolarHBondContact OD1-CB 3.18Å; D158-R160 WeakPolarHBondContact OD1-CG 3.43Å; D158-R160 IonicContact OD1-CZ 3.44Å; D158-R160 PolarHBondContact OD1-N 3.06Å; D158-R160 IonicContact OD1-NE 3.55Å; D158-R160 PolarHBondContact OD1-NE 3.5Å; D158-R160 IonicContact OD1-NH2 2.83Å; D158-R160 IonicContact OD2-CZ 3.17Å; D158-R160 IonicContact OD2-NE 2.67Å; D158-R160 PolarHBondContact OD2-NE 2.59Å; D158-R160 IonicContact OD2-NH2 3.71Å; D158-R160 PolarHBondContact OD2-NH2 2.94Å; D158-D161 WeakPolarHBondContact O-CB 3.33Å; D158-D161 PolarHBondContact O-N 3.23Å
159I94.8Very high93.4Very high3 Ų354.6 Ų54.62%0.01525%0.254CS..G310 helixtrans-57.4-21.9-179.7-169.156.7000113.6D161 A162 V227 V230 W279 V280 A283I159-D161 PolarHBondContact O-N 2.93Å; I159-A162 HydrophobicContact CD1-CB 3.93Å; I159-A162 WeakPolarHBondContact O-CB 3.33Å; I159-A162 PolarHBondContact O-N 3.27Å; I159-A162 VanDerWaalsContact O-N 3.09Å; I159-V227 HydrophobicContact CD1-CG2 4.31Å; I159-V230 HydrophobicContact CD1-CB 3.94Å; I159-V230 HydrophobicContact CD1-CG1 3.9Å; I159-V230 HydrophobicContact CD1-CG2 4.02Å; I159-W279 HydrophobicContact CG2-CB 4.05Å; I159-V280 HydrophobicContact CD1-CG2 4.45Å; I159-V280 HydrophobicContact CG1-CG2 4.31Å; I159-A283 HydrophobicContact CG1-CB 4.24Å; I159-A283 HydrophobicContact CG2-CB 4.11Å
160R92.3Very high93.1Very high121 Ų12157.2 Ų57.246%0.45727%0.27SS..G310 helixtrans-62.4-35.8177.4-60.1176.6-72.3-175.10.1111D158 A162 M163 L164 W282 F287D158-R160 VanDerWaalsContact CG-NE 3.3Å; D158-R160 PolarHBondContact O-N 3.35Å; D158-R160 VanDerWaalsContact OD1-CB 3.24Å; D158-R160 WeakPolarHBondContact OD1-CB 3.18Å; D158-R160 WeakPolarHBondContact OD1-CG 3.43Å; D158-R160 IonicContact OD1-CZ 3.44Å; D158-R160 PolarHBondContact OD1-N 3.06Å; D158-R160 IonicContact OD1-NE 3.55Å; D158-R160 PolarHBondContact OD1-NE 3.5Å; D158-R160 IonicContact OD1-NH2 2.83Å; D158-R160 IonicContact OD2-CZ 3.17Å; D158-R160 IonicContact OD2-NE 2.67Å; D158-R160 PolarHBondContact OD2-NE 2.59Å; D158-R160 IonicContact OD2-NH2 3.71Å; D158-R160 PolarHBondContact OD2-NH2 2.94Å; R160-A162 PolarHBondContact O-N 3.3Å; R160-M163 PolarHBondContact O-N 3.34Å; R160-M163 VanDerWaalsContact O-N 3.08Å; R160-L164 PolarHBondContact O-N 2.95Å; R160-W282 HydrophobicContact CG-CZ3 4.49Å; R160-F287 HydrophobicContact CB-CE2 4.06Å; R160-F287 HydrophobicContact CB-CZ 3.93Å; R160-F287 HydrophobicContact CG-CE2 3.69Å; R160-F287 HydrophobicContact CG-CZ 3.75Å
161D93.1Very high92.8Very high40 Ų4057.2 Ų57.221%0.21427%0.27CS..G310 helixtrans-67.7-18.5177.8-70.55.1000112.8S154 D158 I159 M163 L164S154-D161 WeakPolarHBondContact CB-OD2 3.42Å; S154-D161 WeakPolarHBondContact OG-CB 3.36Å; S154-D161 PolarHBondContact OG-OD2 2.95Å; D158-D161 WeakPolarHBondContact O-CB 3.33Å; D158-D161 PolarHBondContact O-N 3.23Å; I159-D161 PolarHBondContact O-N 2.93Å; D161-M163 PolarHBondContact O-N 2.89Å; D161-L164 HydrophobicContact CB-CD1 4.43Å; D161-L164 PolarHBondContact O-N 3.15Å; D161-L164 VanDerWaalsContact OD1-CD1 3.28Å; D161-L164 WeakPolarHBondContact OD1-CD1 3.39Å
162A93.7Very high92.6Very high0 Ų053.8 Ų53.80%026%0.257CS..G310 helixtrans-63.3-25.7173.800000111.4Y155 I159 R160 H169 R226 V227Y155-A162 VanDerWaalsContact CB-N 3.33Å; Y155-A162 HydrophobicContact CG-CB 4.47Å; I159-A162 HydrophobicContact CD1-CB 3.93Å; I159-A162 WeakPolarHBondContact O-CB 3.33Å; I159-A162 PolarHBondContact O-N 3.27Å; I159-A162 VanDerWaalsContact O-N 3.09Å; R160-A162 PolarHBondContact O-N 3.3Å; A162-H169 PolarHBondContact O-CE1 3.39Å; A162-R226 HydrophobicContact CB-CB 4.02Å; A162-V227 HydrophobicContact CB-CB 4.27Å
163M90.1Very high92.4Very high15 Ų1552.4 Ų52.47%0.07425%0.253CS..THydrogen-bonded Turntrans-102.3-18.9-176.3-62.4-61.2117.600113.5R160 D161 Y166 Y224 V227 F287 V288R160-M163 PolarHBondContact O-N 3.34Å; R160-M163 VanDerWaalsContact O-N 3.08Å; D161-M163 PolarHBondContact O-N 2.89Å; M163-Y166 PolarHBondContact O-N 3.33Å; M163-Y224 HydrophobicContact CE-CD1 4.21Å; M163-Y224 HydrophobicContact SD-CD1 4.23Å; M163-Y224 HydrophobicContact SD-CE1 4.21Å; M163-V227 HydrophobicContact CE-CB 3.37Å; M163-V227 HydrophobicContact CE-CG1 3.37Å; M163-V227 HydrophobicContact CE-CG2 4.15Å; M163-F287 HydrophobicContact CB-CB 3.63Å; M163-F287 HydrophobicContact CB-CG 4.27Å; M163-F287 HydrophobicContact CG-CB 3.97Å; M163-V288 HydrophobicContact CG-CG2 4.25Å; M163-V288 HydrophobicContact SD-CG2 3.24Å; M163-V288 WeakPolarHBondContact SD-CG2 3.36Å
164L89.5Confident92.3Very high79 Ų7954 Ų5441%0.41426%0.261SS..THydrogen-bonded Turntrans-63140.1-178.9-67.3-179.4000111.6R160 D161 Y166 H169R160-L164 PolarHBondContact O-N 2.95Å; D161-L164 HydrophobicContact CB-CD1 4.43Å; D161-L164 PolarHBondContact O-N 3.15Å; D161-L164 VanDerWaalsContact OD1-CD1 3.28Å; D161-L164 WeakPolarHBondContact OD1-CD1 3.39Å; L164-Y166 PolarHBondContact O-N 3.31Å; L164-H169 PolarHBondContact O-NE2 3.22Å
165N88.2Confident92.3Very high129 Ų12950.9 Ų50.969%0.6924%0.24SC*.THydrogen-bonded Turntrans59.423.1177.9-55.2-28.3000115Y168N165-Y168 WeakPolarHBondContact O-CA 3.32Å; N165-Y168 WeakPolarHBondContact O-CB 3.4Å; N165-Y168 WeakPolarHBondContact O-CD2 3.23Å; N165-Y168 PolarHBondContact O-N 2.69Å
166Y89.3Confident92.3Very high20 Ų2050.5 Ų50.58%0.07824%0.238CC..THydrogen-bonded Turntrans-58.5139.6166.6-177-86.5000109.9P13 M163 L164 H169 T222 N223 Y224 N292P13-Y166 HydrophobicContact CG-CE1 3.87Å; M163-Y166 PolarHBondContact O-N 3.33Å; L164-Y166 PolarHBondContact O-N 3.31Å; Y166-H169 PolarHBondContact N-NE2 3.23Å; Y166-T222 VanDerWaalsContact CE2-O 3.26Å; Y166-T222 WeakPolarHBondContact CE2-O 3.34Å; Y166-T222 PolarHBondContact OH-O 3.47Å; Y166-N223 HydrophobicContact CE2-CB 4.4Å; Y166-Y224 AromaticContact CD2-CD1 3.91Å; Y166-Y224 HydrophobicContact CD2-CD1 3.91Å; Y166-Y224 AromaticContact CD2-CE1 3.49Å; Y166-Y224 HydrophobicContact CD2-CE1 3.49Å; Y166-Y224 VanDerWaalsContact CD2-CE1 3.49Å; Y166-Y224 AromaticContact CD2-CZ 3.91Å; Y166-Y224 AromaticContact CE2-CD1 3.8Å; Y166-Y224 HydrophobicContact CE2-CD1 3.8Å; Y166-Y224 HydrophobicContact CE2-CD2 4.16Å; Y166-Y224 AromaticContact CE2-CE1 3.44Å; Y166-Y224 HydrophobicContact CE2-CE1 3.44Å; Y166-Y224 VanDerWaalsContact CE2-CE1 3.44Å; Y166-Y224 AromaticContact CE2-CE2 3.83Å; Y166-Y224 HydrophobicContact CE2-CE2 3.83Å; Y166-Y224 HydrophobicContact CE2-CG 4.13Å; Y166-Y224 AromaticContact CE2-CZ 3.44Å; Y166-Y224 VanDerWaalsContact CE2-CZ 3.44Å; Y166-Y224 HydrophobicContact CG-CE1 4.07Å; Y166-Y224 AromaticContact CZ-CE1 3.99Å; Y166-Y224 AromaticContact CZ-CE2 3.83Å; Y166-Y224 AromaticContact CZ-CZ 3.5Å; Y166-Y224 VanDerWaalsContact CZ-CZ 3.5Å; Y166-N292 WeakPolarHBondContact CD1-ND2 3.27Å
167P87.6Confident92.2Very high7 Ų753.9 Ų53.95%0.04525%0.25CC..THydrogen-bonded Turncis-91.111.14.838-39.6000115.4V16 M21 I24 H169 N223V16-P167 HydrophobicContact CG1-CB 4.17Å; V16-P167 HydrophobicContact CG1-CG 3.86Å; V16-P167 HydrophobicContact CG2-CG 3.75Å; M21-P167 HydrophobicContact SD-CB 3.84Å; I24-P167 HydrophobicContact CD1-CB 4.45Å; I24-P167 HydrophobicContact CD1-CG 4.07Å; P167-H169 PolarHBondContact O-N 2.93Å; P167-N223 PolarHBondContact O-ND2 2.89Å
168Y89.4Confident92.3Very high138 Ų13844.8 Ų44.854%0.54122%0.215SC..  trans-7742.8-174.6-53.8-85.7000113.6L20 I24 N165L20-Y168 HydrophobicContact CD1-CE1 4.23Å; I24-Y168 HydrophobicContact CD1-CD1 3.56Å; I24-Y168 HydrophobicContact CD1-CE1 3.87Å; I24-Y168 HydrophobicContact CD1-CG 4.17Å; I24-Y168 HydrophobicContact CG1-CD1 3.7Å; I24-Y168 HydrophobicContact CG1-CE1 4.15Å; N165-Y168 WeakPolarHBondContact O-CA 3.32Å; N165-Y168 WeakPolarHBondContact O-CB 3.4Å; N165-Y168 WeakPolarHBondContact O-CD2 3.23Å; N165-Y168 PolarHBondContact O-N 2.69Å
169H91.5Very high92.4Very high0 Ų043 Ų430%021%0.205CC..  trans-92.1116176.1-61.2166.4000109.3A162 L164 Y166 P167 N223 R226A162-H169 PolarHBondContact O-CE1 3.39Å; L164-H169 PolarHBondContact O-NE2 3.22Å; Y166-H169 PolarHBondContact N-NE2 3.23Å; P167-H169 PolarHBondContact O-N 2.93Å; H169-N223 PolarHBondContact ND1-O 3.38Å; H169-N223 PolarHBondContact O-ND2 3.07Å; H169-N223 PolarHBondContact O-OD1 2.86Å; H169-R226 PolarHBondContact CD2-NH1 3.19Å; H169-R226 VanDerWaalsContact CD2-NH1 3.33Å
170V90.8Very high92.4Very high57 Ų5742.8 Ų42.835%0.34521%0.205SC..  trans-82.1123.9174-1780000109.1A27 T172A27-V170 HydrophobicContact CB-CG1 4.25Å; A27-V170 HydrophobicContact CB-CG2 4.3Å; V170-T172 PolarHBondContact O-N 3.37Å
171L91.3Very high92.6Very high0 Ų038.7 Ų38.70%019%0.193CC..  trans-80.3111.9174.2177.365.2000110.1V29 P31 I175 H176 Y220 H225V29-L171 HydrophobicContact CB-CD2 3.91Å; V29-L171 HydrophobicContact CB-CG 4.13Å; V29-L171 HydrophobicContact CG1-CD2 4.13Å; V29-L171 PolarHBondContact N-O 2.89Å; P31-L171 HydrophobicContact CB-CD2 4.18Å; L171-I175 HydrophobicContact CD1-CB 4.03Å; L171-I175 HydrophobicContact CD1-CG2 3.73Å; L171-H176 HydrophobicContact CD1-CB 4.36Å; L171-H176 HydrophobicContact CD2-CB 4.1Å; L171-H176 HydrophobicContact CG-CB 4.17Å; L171-Y220 HydrophobicContact CD2-CD2 4.4Å; L171-Y220 HydrophobicContact CD2-CE2 3.45Å; L171-Y220 VanDerWaalsContact CD2-CE2 3.45Å; L171-H225 HydrophobicContact CD1-CB 4.3Å
172T92.4Very high92.9Very high34 Ų3436.8 Ų36.821%0.20918%0.183CC..  trans-79.7154176.276.60000111.2V170 E174 I175 H176V170-T172 PolarHBondContact O-N 3.37Å; T172-E174 VanDerWaalsContact C-N 3.26Å; T172-E174 WeakPolarHBondContact CB-OE2 3.08Å; T172-E174 PolarHBondContact O-N 3.34Å; T172-E174 PolarHBondContact OG1-OE2 2.88Å; T172-I175 PolarHBondContact O-N 2.88Å; T172-H176 PolarHBondContact O-N 3.02Å
173P92.2Very high93Very high68 Ų6836.9 Ų36.944%0.44218%0.183SC..Hα-helixtrans-58.4-34-178.9-25.635.8000114.3V29 H176 W177V29-P173 HydrophobicContact CG2-CG 4.36Å; P173-H176 WeakPolarHBondContact O-CB 3.39Å; P173-H176 PolarHBondContact O-N 3.39Å; P173-W177 PolarHBondContact O-N 3.15Å
174E94.8Very high93.3Very high69 Ų6936.2 Ų36.232%0.32218%0.18SC..Hα-helixtrans-67.4-45.9-180-49.672.8-154.900110.3Y145 F148 A149 T172 H176 W177 Y178Y145-E174 WeakPolarHBondContact CE1-O 3.36Å; Y145-E174 PolarHBondContact OH-O 3.44Å; F148-E174 HydrophobicContact CE1-CG 4.25Å; A149-E174 HydrophobicContact CB-CB 4.1Å; T172-E174 VanDerWaalsContact C-N 3.26Å; T172-E174 WeakPolarHBondContact CB-OE2 3.08Å; T172-E174 PolarHBondContact O-N 3.34Å; T172-E174 PolarHBondContact OG1-OE2 2.88Å; E174-H176 VanDerWaalsContact C-N 3.34Å; E174-W177 PolarHBondContact O-N 2.95Å; E174-Y178 WeakPolarHBondContact O-CB 3.39Å; E174-Y178 PolarHBondContact O-N 3.36Å
175I95.4Very high93.6Very high0 Ų032.9 Ų32.90%016%0.162CC..Hα-helixtrans-67.4-37.6176-61.2-65.7000110.5A149 L150 L171 T172 Y178 Y179 A229A149-I175 HydrophobicContact CB-CD1 4Å; L150-I175 HydrophobicContact CD2-CD1 3.72Å; L150-I175 HydrophobicContact CG-CD1 4.23Å; L171-I175 HydrophobicContact CD1-CB 4.03Å; L171-I175 HydrophobicContact CD1-CG2 3.73Å; T172-I175 PolarHBondContact O-N 2.88Å; I175-Y178 WeakPolarHBondContact O-CB 3.41Å; I175-Y178 PolarHBondContact O-N 2.78Å; I175-Y179 VanDerWaalsContact O-CB 3.32Å; I175-Y179 WeakPolarHBondContact O-CB 3.32Å; I175-Y179 PolarHBondContact O-N 2.73Å; I175-A229 HydrophobicContact CD1-CB 4.4Å; I175-A229 HydrophobicContact CG2-CB 4.49Å
176H94.8Very high93.9Very high5 Ų527.3 Ų27.32%0.02313%0.131CC..Hα-helixtrans-56-54.9174.9176.469000111.5V29 D38 L171 T172 P173 E174 Y178 Y179 M180 Y220V29-H176 HydrophobicContact CB-CB 4.29Å; V29-H176 HydrophobicContact CG1-CB 4.31Å; V29-H176 HydrophobicContact CG2-CB 4.07Å; D38-H176 IonicContact OD2-CE1 3.45Å; D38-H176 PolarHBondContact OD2-CE1 3Å; D38-H176 IonicContact OD2-NE2 2.76Å; D38-H176 PolarHBondContact OD2-NE2 3.41Å; L171-H176 HydrophobicContact CD1-CB 4.36Å; L171-H176 HydrophobicContact CD2-CB 4.1Å; L171-H176 HydrophobicContact CG-CB 4.17Å; T172-H176 PolarHBondContact O-N 3.02Å; P173-H176 WeakPolarHBondContact O-CB 3.39Å; P173-H176 PolarHBondContact O-N 3.39Å; E174-H176 VanDerWaalsContact C-N 3.34Å; H176-Y178 PolarHBondContact O-N 3.39Å; H176-Y179 WeakPolarHBondContact O-CB 3.24Å; H176-Y179 PolarHBondContact O-N 3.05Å; H176-Y179 VanDerWaalsContact O-N 3.15Å; H176-M180 VanDerWaalsContact CE1-CG 3.42Å; H176-M180 WeakPolarHBondContact CE1-CG 3.22Å; H176-M180 VanDerWaalsContact O-CG 3.3Å; H176-M180 WeakPolarHBondContact O-CG 3.37Å; H176-M180 PolarHBondContact O-N 3.2Å; H176-Y220 AromaticContact CE1-CZ 3.93Å; H176-Y220 PolarHBondContact CE1-OH 2.97Å; H176-Y220 AromaticContact ND1-CE2 3.6Å; H176-Y220 AromaticContact ND1-CZ 3.58Å; H176-Y220 PolarHBondContact ND1-OH 3.19Å
177W95.2Very high94.1Very high114 Ų11428 Ų2843%0.43214%0.137SC..Hα-helixtrans-68.1-35.2-179.8-76.8112.3000113D38 P173 E174 Y179 M180 V181D38-W177 HydrophobicContact CB-CZ3 4.46Å; P173-W177 PolarHBondContact O-N 3.15Å; E174-W177 PolarHBondContact O-N 2.95Å; W177-Y179 PolarHBondContact O-N 3.12Å; W177-M180 HydrophobicContact CE3-CB 4.32Å; W177-M180 PolarHBondContact O-N 3.33Å; W177-V181 WeakPolarHBondContact O-CB 3.27Å; W177-V181 VanDerWaalsContact O-CG2 3.23Å; W177-V181 WeakPolarHBondContact O-CG2 3.31Å; W177-V181 PolarHBondContact O-N 3.21Å
178Y97.1Very high94.4Very high0 Ų028.2 Ų28.20%014%0.14CC..Hα-helixtrans-51.9-48.9169.8-170.6-136.1000110.5M142 Y145 L150 E174 I175 H176 Q182 A229 L232 I233 D236M142-Y178 HydrophobicContact CE-CD2 3.52Å; M142-Y178 HydrophobicContact CE-CE2 3.79Å; M142-Y178 WeakPolarHBondContact O-CE2 3.44Å; Y145-Y178 AromaticContact CD1-CD2 3.46Å; Y145-Y178 HydrophobicContact CD1-CD2 3.46Å; Y145-Y178 VanDerWaalsContact CD1-CD2 3.46Å; Y145-Y178 HydrophobicContact CD1-CE2 4.32Å; Y145-Y178 HydrophobicContact CD1-CG 4.01Å; Y145-Y178 HydrophobicContact CE1-CD2 4.07Å; Y145-Y178 HydrophobicContact CE1-CG 4.2Å; Y145-Y178 HydrophobicContact CG-CD2 4.44Å; L150-Y178 HydrophobicContact CD1-CE1 4.48Å; E174-Y178 WeakPolarHBondContact O-CB 3.39Å; E174-Y178 PolarHBondContact O-N 3.36Å; I175-Y178 WeakPolarHBondContact O-CB 3.41Å; I175-Y178 PolarHBondContact O-N 2.78Å; H176-Y178 PolarHBondContact O-N 3.39Å; Y178-Q182 WeakPolarHBondContact O-CG 3.47Å; Y178-Q182 PolarHBondContact O-N 3.45Å; Y178-Q182 PolarHBondContact OH-NE2 2.98Å; Y178-Q182 VanDerWaalsContact OH-NE2 3.11Å; Y178-A229 HydrophobicContact CD1-CB 4.3Å; Y178-A229 HydrophobicContact CE1-CB 4.33Å; Y178-L232 HydrophobicContact CD1-CD1 4.26Å; Y178-L232 HydrophobicContact CE1-CB 3.88Å; Y178-L232 HydrophobicContact CE1-CD1 4.04Å; Y178-I233 WeakPolarHBondContact OH-CA 3.34Å; Y178-I233 PolarHBondContact OH-N 3.46Å; Y178-D236 PolarHBondContact OH-OD2 3.29Å
179Y96.1Very high94.5Very high3 Ų322.4 Ų22.41%0.01212%0.12CC..Hα-helixtrans-67.8-47-177.5-137.9-83.6000112.8I175 H176 W177 V181 Q182 L183 L216 S219 Y220 H225 L232I175-Y179 VanDerWaalsContact O-CB 3.32Å; I175-Y179 WeakPolarHBondContact O-CB 3.32Å; I175-Y179 PolarHBondContact O-N 2.73Å; H176-Y179 WeakPolarHBondContact O-CB 3.24Å; H176-Y179 PolarHBondContact O-N 3.05Å; H176-Y179 VanDerWaalsContact O-N 3.15Å; W177-Y179 PolarHBondContact O-N 3.12Å; Y179-V181 PolarHBondContact O-N 3Å; Y179-Q182 PolarHBondContact O-N 3.15Å; Y179-L183 VanDerWaalsContact O-CB 3.32Å; Y179-L183 WeakPolarHBondContact O-CB 3.34Å; Y179-L183 PolarHBondContact O-N 3.46Å; Y179-L216 HydrophobicContact CD1-CD2 4.29Å; Y179-L216 HydrophobicContact CD1-CG 4.48Å; Y179-L216 HydrophobicContact CE1-CB 3.6Å; Y179-L216 HydrophobicContact CE1-CD2 3.92Å; Y179-L216 HydrophobicContact CE1-CG 3.64Å; Y179-L216 WeakPolarHBondContact CE1-O 3.39Å; Y179-L216 VanDerWaalsContact OH-CA 3.3Å; Y179-L216 WeakPolarHBondContact OH-CA 3.06Å; Y179-S219 PolarHBondContact OH-OG 2.75Å; Y179-Y220 AromaticContact CD1-CD2 3.96Å; Y179-Y220 HydrophobicContact CD1-CD2 3.96Å; Y179-Y220 HydrophobicContact CD1-CG 4.4Å; Y179-Y220 HydrophobicContact CG-CD2 4.23Å; Y179-H225 HydrophobicContact CD2-CB 4.45Å; Y179-H225 HydrophobicContact CE2-CB 4.38Å; Y179-L232 HydrophobicContact CD2-CD1 4.06Å; Y179-L232 HydrophobicContact CE2-CD1 4.04Å
180M96Very high94.4Very high0 Ų024.3 Ų24.30%013%0.13CC..Hα-helixtrans-66.4-38.6-177.3-67.4-54.9113.500112.3D38 C39 H176 W177 G184 Y220D38-M180 HydrophobicContact CB-CB 4.31Å; D38-M180 HydrophobicContact CB-CG 3.77Å; D38-M180 HydrophobicContact CB-SD 4.03Å; C39-M180 HydrophobicContact CB-SD 4.36Å; H176-M180 VanDerWaalsContact CE1-CG 3.42Å; H176-M180 WeakPolarHBondContact CE1-CG 3.22Å; H176-M180 VanDerWaalsContact O-CG 3.3Å; H176-M180 WeakPolarHBondContact O-CG 3.37Å; H176-M180 PolarHBondContact O-N 3.2Å; W177-M180 HydrophobicContact CE3-CB 4.32Å; W177-M180 PolarHBondContact O-N 3.33Å; M180-G184 PolarHBondContact O-N 3.37Å; M180-Y220 HydrophobicContact CE-CD1 4.11Å; M180-Y220 HydrophobicContact CE-CD2 3.44Å; M180-Y220 VanDerWaalsContact CE-CD2 3.44Å; M180-Y220 HydrophobicContact CE-CE1 3.9Å; M180-Y220 HydrophobicContact CE-CE2 3.18Å; M180-Y220 HydrophobicContact CE-CG 3.9Å; M180-Y220 VanDerWaalsContact CE-CZ 3.44Å
181V97.2Very high94.3Very high34 Ų3427 Ų2721%0.20614%0.141CC..Hα-helixtrans-66.4-41.8177.8174.10000111A42 L46 Y138 M142 W177 Y179 Y185A42-V181 HydrophobicContact CB-CG2 4.27Å; L46-V181 HydrophobicContact CD1-CG1 4.14Å; L46-V181 HydrophobicContact CD2-CG1 4.42Å; Y138-V181 HydrophobicContact CE2-CG1 4.43Å; M142-V181 HydrophobicContact CE-CB 4Å; M142-V181 HydrophobicContact CE-CG1 3.8Å; M142-V181 HydrophobicContact SD-CB 4.41Å; M142-V181 HydrophobicContact SD-CG1 3.59Å; M142-V181 VanDerWaalsContact SD-CG1 3.59Å; W177-V181 WeakPolarHBondContact O-CB 3.27Å; W177-V181 VanDerWaalsContact O-CG2 3.23Å; W177-V181 WeakPolarHBondContact O-CG2 3.31Å; W177-V181 PolarHBondContact O-N 3.21Å; Y179-V181 PolarHBondContact O-N 3Å; V181-Y185 WeakPolarHBondContact O-CB 3.49Å; V181-Y185 PolarHBondContact O-N 2.88Å
182Q97.6Very high94.1Very high0 Ų031.8 Ų31.80%016%0.16CC..Hα-helixtrans-70.1-44176.1-65-148.334.900112.9Y138 M142 Y178 Y179 G184 Y185 Y186 L216 L232 D236Y138-Q182 WeakPolarHBondContact OH-CA 3.4Å; M142-Q182 HydrophobicContact CE-CG 3.62Å; Y178-Q182 WeakPolarHBondContact O-CG 3.47Å; Y178-Q182 PolarHBondContact O-N 3.45Å; Y178-Q182 PolarHBondContact OH-NE2 2.98Å; Y178-Q182 VanDerWaalsContact OH-NE2 3.11Å; Y179-Q182 PolarHBondContact O-N 3.15Å; Q182-G184 VanDerWaalsContact C-N 3.26Å; Q182-G184 PolarHBondContact O-N 3.48Å; Q182-Y185 PolarHBondContact O-N 2.96Å; Q182-Y186 HydrophobicContact CB-CD2 4.46Å; Q182-Y186 HydrophobicContact CB-CE2 4.42Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.4Å; Q182-Y186 PolarHBondContact O-N 2.83Å; Q182-L216 HydrophobicContact CB-CD2 4.07Å; Q182-L232 HydrophobicContact CB-CD1 4.26Å; Q182-L232 HydrophobicContact CB-CD2 4.22Å; Q182-L232 HydrophobicContact CG-CD1 4.33Å; Q182-D236 PolarHBondContact NE2-OD2 3.37Å
183L96.7Very high93.8Very high3 Ų330.4 Ų30.42%0.01615%0.151CC..Hα-helixtrans-58.2-42.5174.517957.4000111C39 Y179 T187 V213 L216C39-L183 HydrophobicContact CB-CB 4.05Å; C39-L183 HydrophobicContact CB-CD2 3.94Å; C39-L183 HydrophobicContact CB-CG 3.83Å; Y179-L183 VanDerWaalsContact O-CB 3.32Å; Y179-L183 WeakPolarHBondContact O-CB 3.34Å; Y179-L183 PolarHBondContact O-N 3.46Å; L183-T187 VanDerWaalsContact O-CB 3.25Å; L183-T187 WeakPolarHBondContact O-CB 3.38Å; L183-T187 PolarHBondContact O-N 3.07Å; L183-T187 PolarHBondContact O-OG1 3.41Å; L183-V213 HydrophobicContact CD1-CG1 4.06Å; L183-L216 HydrophobicContact CB-CB 4.47Å; L183-L216 HydrophobicContact CB-CD2 3.81Å; L183-L216 HydrophobicContact CD1-CB 3.84Å; L183-L216 HydrophobicContact CD1-CD2 4.46Å
184G95.9Very high93.4Very high0 Ų033.2 Ų33.20%016%0.157CC..Hα-helixtrans-61.4-48.817500000112V43 M180 Q182 Y186 T187 A188V43-G184 VanDerWaalsContact CG2-O 3.24Å; V43-G184 WeakPolarHBondContact CG2-O 3.4Å; M180-G184 PolarHBondContact O-N 3.37Å; Q182-G184 VanDerWaalsContact C-N 3.26Å; Q182-G184 PolarHBondContact O-N 3.48Å; G184-Y186 PolarHBondContact O-N 3.36Å; G184-T187 PolarHBondContact O-N 2.98Å; G184-A188 WeakPolarHBondContact O-CB 3.49Å; G184-A188 PolarHBondContact O-N 2.98Å
185Y96.4Very high92.6Very high10 Ų1036.6 Ų36.64%0.03917%0.167CC..Hα-helixtrans-57.3-47.9176.9176.7-96.8000113W134 Y138 Y139 V181 Q182 A188 S189W134-Y185 AromaticContact NE1-CE2 3.87Å; Y138-Y185 HydrophobicContact CD1-CD1 4.23Å; Y138-Y185 AromaticContact CD1-CD2 3.87Å; Y138-Y185 HydrophobicContact CD1-CD2 3.87Å; Y138-Y185 HydrophobicContact CD1-CE1 4.02Å; Y138-Y185 AromaticContact CD1-CE2 3.6Å; Y138-Y185 HydrophobicContact CD1-CE2 3.6Å; Y138-Y185 HydrophobicContact CD1-CG 4.17Å; Y138-Y185 AromaticContact CD1-CZ 3.68Å; Y138-Y185 AromaticContact CD2-CD2 3.7Å; Y138-Y185 HydrophobicContact CD2-CD2 3.7Å; Y138-Y185 HydrophobicContact CD2-CE2 4.01Å; Y138-Y185 HydrophobicContact CD2-CG 4.3Å; Y138-Y185 AromaticContact CE1-CD1 3.5Å; Y138-Y185 HydrophobicContact CE1-CD1 3.5Å; Y138-Y185 VanDerWaalsContact CE1-CD1 3.5Å; Y138-Y185 AromaticContact CE1-CD2 3.69Å; Y138-Y185 HydrophobicContact CE1-CD2 3.69Å; Y138-Y185 AromaticContact CE1-CE1 3.66Å; Y138-Y185 HydrophobicContact CE1-CE1 3.66Å; Y138-Y185 AromaticContact CE1-CE2 3.82Å; Y138-Y185 HydrophobicContact CE1-CE2 3.82Å; Y138-Y185 AromaticContact CE1-CG 3.52Å; Y138-Y185 HydrophobicContact CE1-CG 3.52Å; Y138-Y185 AromaticContact CE1-CZ 3.81Å; Y138-Y185 HydrophobicContact CE2-CD1 4.48Å; Y138-Y185 AromaticContact CE2-CD2 3.5Å; Y138-Y185 HydrophobicContact CE2-CD2 3.5Å; Y138-Y185 HydrophobicContact CE2-CE2 4.2Å; Y138-Y185 AromaticContact CE2-CG 3.66Å; Y138-Y185 HydrophobicContact CE2-CG 3.66Å; Y138-Y185 AromaticContact CG-CD2 3.88Å; Y138-Y185 HydrophobicContact CG-CD2 3.88Å; Y138-Y185 AromaticContact CG-CE2 3.7Å; Y138-Y185 HydrophobicContact CG-CE2 3.7Å; Y138-Y185 VanDerWaalsContact CZ-CB 3.42Å; Y138-Y185 AromaticContact CZ-CD1 3.65Å; Y138-Y185 AromaticContact CZ-CD2 3.51Å; Y138-Y185 AromaticContact CZ-CG 3.23Å; Y138-Y185 WeakPolarHBondContact OH-CB 3.46Å; Y139-Y185 HydrophobicContact CE1-CE1 4.2Å; Y139-Y185 PolarHBondContact OH-OH 3.31Å; V181-Y185 WeakPolarHBondContact O-CB 3.49Å; V181-Y185 PolarHBondContact O-N 2.88Å; Q182-Y185 PolarHBondContact O-N 2.96Å; Y185-A188 PolarHBondContact O-N 3.49Å; Y185-S189 WeakPolarHBondContact O-CB 3.26Å; Y185-S189 PolarHBondContact O-N 3.4Å; Y185-S189 PolarHBondContact O-OG 3.48Å
186Y95.2Very high91.7Very high11 Ų1138.5 Ų38.54%0.04318%0.177CC..Hα-helixtrans-71.1-33-179.3-73.1-64.8000112.6Q182 G184 S189 L190 T212Q182-Y186 HydrophobicContact CB-CD2 4.46Å; Q182-Y186 HydrophobicContact CB-CE2 4.42Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.4Å; Q182-Y186 PolarHBondContact O-N 2.83Å; G184-Y186 PolarHBondContact O-N 3.36Å; Y186-S189 PolarHBondContact O-N 2.67Å; Y186-L190 WeakPolarHBondContact O-CB 3.42Å; Y186-L190 PolarHBondContact O-N 3.43Å; Y186-T212 HydrophobicContact CD1-CG2 4.06Å; Y186-T212 HydrophobicContact CD2-CG2 3.83Å; Y186-T212 HydrophobicContact CE1-CG2 4.26Å; Y186-T212 HydrophobicContact CE2-CG2 4.07Å; Y186-T212 HydrophobicContact CG-CG2 3.84Å
187T93.6Very high90.5Very high34 Ų3440.3 Ų40.321%0.20919%0.188CC..Hα-helixtrans-66-46.2172.8-58.50000110.9L183 G184 S189 L190 L191L183-T187 VanDerWaalsContact O-CB 3.25Å; L183-T187 WeakPolarHBondContact O-CB 3.38Å; L183-T187 PolarHBondContact O-N 3.07Å; L183-T187 PolarHBondContact O-OG1 3.41Å; G184-T187 PolarHBondContact O-N 2.98Å; T187-S189 VanDerWaalsContact C-N 3.32Å; T187-S189 PolarHBondContact O-N 3.45Å; T187-L190 WeakPolarHBondContact O-CB 3.42Å; T187-L190 PolarHBondContact O-N 2.99Å; T187-L191 PolarHBondContact O-N 3.33Å
188A92.9Very high89.3Confident12 Ų1243.4 Ų43.410%0.09920%0.204CC..Hα-helixtrans-59.9-44.9173.300000110.8V43 G184 Y185 L190 L191 W192V43-A188 HydrophobicContact CG1-CB 4.14Å; V43-A188 HydrophobicContact CG2-CB 4.27Å; G184-A188 WeakPolarHBondContact O-CB 3.49Å; G184-A188 PolarHBondContact O-N 2.98Å; Y185-A188 PolarHBondContact O-N 3.49Å; A188-L190 VanDerWaalsContact C-N 3.3Å; A188-L190 PolarHBondContact O-N 3.07Å; A188-L191 PolarHBondContact O-N 3.18Å; A188-L191 VanDerWaalsContact O-N 3.07Å; A188-W192 WeakPolarHBondContact O-CB 3.49Å; A188-W192 PolarHBondContact O-N 3.45Å
189S91.3Very high88.2Confident17 Ų1746.1 Ų46.112%0.11921%0.214CC..Hα-helixtrans-60.2-39.1178.6-60.70000112.2Y185 Y186 T187 L191 W192 V193Y185-S189 WeakPolarHBondContact O-CB 3.26Å; Y185-S189 PolarHBondContact O-N 3.4Å; Y185-S189 PolarHBondContact O-OG 3.48Å; Y186-S189 PolarHBondContact O-N 2.67Å; T187-S189 VanDerWaalsContact C-N 3.32Å; T187-S189 PolarHBondContact O-N 3.45Å; S189-L191 VanDerWaalsContact C-N 3.29Å; S189-L191 PolarHBondContact O-N 2.76Å; S189-W192 PolarHBondContact O-N 3.08Å; S189-V193 WeakPolarHBondContact O-CB 3.36Å; S189-V193 PolarHBondContact O-N 2.62Å
190L90.4Very high87.4Confident40 Ų4049.5 Ų49.521%0.20924%0.239CC..Hα-helixtrans-61.9-34.8174.9179.361.8000112.5Y186 T187 A188 V193 H209 I210Y186-L190 WeakPolarHBondContact O-CB 3.42Å; Y186-L190 PolarHBondContact O-N 3.43Å; T187-L190 WeakPolarHBondContact O-CB 3.42Å; T187-L190 PolarHBondContact O-N 2.99Å; A188-L190 VanDerWaalsContact C-N 3.3Å; A188-L190 PolarHBondContact O-N 3.07Å; L190-V193 WeakPolarHBondContact O-CG1 3.3Å; L190-H209 HydrophobicContact CB-CB 4.13Å; L190-H209 HydrophobicContact CD1-CB 3.73Å; L190-H209 HydrophobicContact CG-CB 4.45Å; L190-I210 HydrophobicContact CD1-CG1 4.22Å
191L88.9Confident86.8Confident113 Ų11349.7 Ų49.759%0.59224%0.24SC*.Hα-helixtrans-78.2-42.2175.6-62.1176.1000111.6T187 A188 S189 V193T187-L191 PolarHBondContact O-N 3.33Å; A188-L191 PolarHBondContact O-N 3.18Å; A188-L191 VanDerWaalsContact O-N 3.07Å; S189-L191 VanDerWaalsContact C-N 3.29Å; S189-L191 PolarHBondContact O-N 2.76Å; L191-V193 VanDerWaalsContact C-N 3.31Å; L191-V193 PolarHBondContact O-N 2.85Å
192W86Confident86.4Confident100 Ų10050.9 Ų50.938%0.37924%0.242SC..Hα-helixtrans-70.4-23.9-178.7-82.2108.7000113.3A188 S189 F194 Y195 E196A188-W192 WeakPolarHBondContact O-CB 3.49Å; A188-W192 PolarHBondContact O-N 3.45Å; S189-W192 PolarHBondContact O-N 3.08Å; W192-F194 PolarHBondContact O-N 3.18Å; W192-Y195 HydrophobicContact CE3-CD2 4.49Å; W192-Y195 PolarHBondContact O-N 2.9Å; W192-E196 PolarHBondContact O-N 3.27Å
193V85.7Confident86.1Confident6 Ų659.6 Ų59.64%0.03628%0.28CS..THydrogen-bonded Turntrans-54.9-29.8-17979.50000113.1S189 L190 L191 Y195 F202 L205 I206S189-V193 WeakPolarHBondContact O-CB 3.36Å; S189-V193 PolarHBondContact O-N 2.62Å; L190-V193 WeakPolarHBondContact O-CG1 3.3Å; L191-V193 VanDerWaalsContact C-N 3.31Å; L191-V193 PolarHBondContact O-N 2.85Å; V193-Y195 VanDerWaalsContact C-N 3.29Å; V193-Y195 PolarHBondContact O-N 2.91Å; V193-F202 HydrophobicContact CG1-CE2 4.43Å; V193-F202 HydrophobicContact CG2-CD2 4.35Å; V193-F202 HydrophobicContact CG2-CE2 4.04Å; V193-L205 HydrophobicContact CG2-CD2 3.87Å; V193-L205 HydrophobicContact CG2-CG 4.34Å; V193-I206 HydrophobicContact CG1-CG1 4.13Å
194F84.4Confident85.9Confident127 Ų12761.4 Ų61.456%0.55729%0.291SS*.THydrogen-bonded Turntrans-72.9-21.7178.7-66.3-77.2000113.6W192 F202 I206W192-F194 PolarHBondContact O-N 3.18Å; F194-F202 AromaticContact CD1-CZ 3.94Å; F194-F202 HydrophobicContact CD1-CZ 3.94Å; F194-F202 HydrophobicContact CE1-CZ 4.04Å; F194-I206 HydrophobicContact CE1-CD1 4.16Å; F194-I206 HydrophobicContact CZ-CD1 4.16Å
195Y79.1Confident85.8Confident139 Ų13962.7 Ų62.755%0.54530%0.298SS..THydrogen-bonded Turntrans-107.3-17.2-179.1-58.2-81.2000112.7W192 V193W192-Y195 HydrophobicContact CE3-CD2 4.49Å; W192-Y195 PolarHBondContact O-N 2.9Å; V193-Y195 VanDerWaalsContact C-N 3.29Å; V193-Y195 PolarHBondContact O-N 2.91Å
196E75.1Confident85.6Confident41 Ų4163.8 Ų63.819%0.19230%0.304CS..SBendtrans-71.6167.4174.2-74.8-169.4172.300112.3R50 K135 W192 K198R50-E196 IonicContact CZ-OE1 3.8Å; R50-E196 IonicContact NH1-OE1 3.86Å; R50-E196 IonicContact NH2-OE1 2.63Å; R50-E196 PolarHBondContact NH2-OE1 3.4Å; K135-E196 IonicContact NZ-OE2 3.87Å; W192-E196 PolarHBondContact O-N 3.27Å; E196-K198 PolarHBondContact O-N 3.4Å; E196-K198 VanDerWaalsContact O-N 3.08Å
197V69.9Low85.6Confident42 Ų4264.6 Ų64.626%0.25532%0.316SS..PPolyproline II helixtrans-56117179.9-175.40000109.8S123 R199S123-V197 VanDerWaalsContact OG-CG2 3.3Å; S123-V197 WeakPolarHBondContact OG-CG2 3.33Å; V197-R199 WeakPolarHBondContact O-CG 3.47Å; V197-R199 PolarHBondContact O-N 2.97Å
198K70.1Confident85.7Confident179 Ų17964.2 Ų64.278%0.77831%0.312SS*.PPolyproline II helixtrans-56.9123.2178-71.6-178.5-179.1174.50110.3E196E196-K198 PolarHBondContact O-N 3.4Å; E196-K198 VanDerWaalsContact O-N 3.08Å
199R74.3Confident85.8Confident57 Ų5764.6 Ų64.622%0.21531%0.311CS..  trans-104.9155.5176.4-54.9-169.2-179.5-172.62.8110.6E131 V197 D201 F202E131-R199 IonicContact OE1-NH2 2.7Å; E131-R199 PolarHBondContact OE1-NH2 3.36Å; V197-R199 WeakPolarHBondContact O-CG 3.47Å; V197-R199 PolarHBondContact O-N 2.97Å; R199-D201 VanDerWaalsContact CB-OD1 3.3Å; R199-D201 WeakPolarHBondContact CB-OD1 3.31Å; R199-D201 PolarHBondContact O-N 3.39Å; R199-F202 WeakPolarHBondContact O-CB 3.39Å; R199-F202 PolarHBondContact O-N 2.95Å
200S78.1Confident86Confident75 Ų7567.6 Ų67.652%0.52433%0.325SS..THydrogen-bonded Turntrans-62.8-25.5-179.758.70000113.1R337S200-R337 WeakPolarHBondContact CB-O 3.5Å; S200-R337 PolarHBondContact N-O 3.39Å; S200-R337 WeakPolarHBondContact OG-CA 3.28Å; S200-R337 PolarHBondContact OG-O 2.88Å
201D84.9Confident86.4Confident4 Ų466 Ų662%0.02132%0.317CS..THydrogen-bonded Turntrans-99.224.1179.766.1-38.2000113.5R199 K203 V204 L205 R337R199-D201 VanDerWaalsContact CB-OD1 3.3Å; R199-D201 WeakPolarHBondContact CB-OD1 3.31Å; R199-D201 PolarHBondContact O-N 3.39Å; D201-K203 VanDerWaalsContact C-N 3.35Å; D201-K203 PolarHBondContact O-N 3.09Å; D201-V204 HydrophobicContact CB-CB 4.37Å; D201-V204 WeakPolarHBondContact O-CA 3.34Å; D201-V204 WeakPolarHBondContact O-CB 3.2Å; D201-V204 PolarHBondContact O-N 3.47Å; D201-L205 PolarHBondContact O-N 3.23Å; D201-R337 IonicContact OD1-NE 2.64Å; D201-R337 IonicContact OD2-CZ 3.69Å; D201-R337 IonicContact OD2-NE 3.18Å; D201-R337 PolarHBondContact OD2-NE 3.23Å; D201-R337 IonicContact OD2-NH2 3.56Å; D201-R337 PolarHBondContact OD2-NH2 3.32Å
202F87.7Confident86.8Confident58 Ų5861 Ų6125%0.25429%0.292SS..Hα-helixtrans-48.2-48-176.9-178.9-103000114.4V193 F194 R199 V204 L205 I206V193-F202 HydrophobicContact CG1-CE2 4.43Å; V193-F202 HydrophobicContact CG2-CD2 4.35Å; V193-F202 HydrophobicContact CG2-CE2 4.04Å; F194-F202 AromaticContact CD1-CZ 3.94Å; F194-F202 HydrophobicContact CD1-CZ 3.94Å; F194-F202 HydrophobicContact CE1-CZ 4.04Å; R199-F202 WeakPolarHBondContact O-CB 3.39Å; R199-F202 PolarHBondContact O-N 2.95Å; F202-V204 VanDerWaalsContact C-N 3.33Å; F202-V204 PolarHBondContact O-N 3.06Å; F202-L205 PolarHBondContact O-N 3.29Å; F202-I206 HydrophobicContact CD1-CD1 3.88Å; F202-I206 HydrophobicContact CE1-CD1 3.28Å; F202-I206 HydrophobicContact CE1-CG1 4.37Å; F202-I206 HydrophobicContact CE2-CD1 4.16Å; F202-I206 HydrophobicContact CZ-CD1 3.46Å; F202-I206 VanDerWaalsContact CZ-CD1 3.46Å; F202-I206 HydrophobicContact CZ-CG1 4.36Å; F202-I206 PolarHBondContact O-N 3.25Å
203K90.8Very high87.3Confident183 Ų18357.4 Ų57.480%0.79628%0.281SS*.Hα-helixtrans-64.1-39.2179.7-65.7-176.6-179.5-179.50112.3D201 L205 I206 G207D201-K203 VanDerWaalsContact C-N 3.35Å; D201-K203 PolarHBondContact O-N 3.09Å; K203-L205 VanDerWaalsContact C-N 3.34Å; K203-I206 PolarHBondContact O-N 3.14Å; K203-G207 PolarHBondContact O-N 3.49Å; K203-G207 VanDerWaalsContact O-N 3.08Å
204V94.1Very high87.7Confident42 Ų4258.4 Ų58.426%0.25529%0.288SS..Hα-helixtrans-66.9-40.8177.9-178.20000109.8D201 F202 G207 H208 L311 Y314 W315D201-V204 HydrophobicContact CB-CB 4.37Å; D201-V204 WeakPolarHBondContact O-CA 3.34Å; D201-V204 WeakPolarHBondContact O-CB 3.2Å; D201-V204 PolarHBondContact O-N 3.47Å; F202-V204 VanDerWaalsContact C-N 3.33Å; F202-V204 PolarHBondContact O-N 3.06Å; V204-G207 PolarHBondContact O-N 3.31Å; V204-H208 PolarHBondContact O-N 3.11Å; V204-L311 HydrophobicContact CG1-CD2 3.41Å; V204-L311 VanDerWaalsContact CG1-CD2 3.41Å; V204-Y314 HydrophobicContact CB-CE1 4.38Å; V204-Y314 HydrophobicContact CG1-CD1 3.9Å; V204-Y314 HydrophobicContact CG1-CE1 3.81Å; V204-Y314 HydrophobicContact CG2-CE1 4.31Å; V204-W315 HydrophobicContact CG1-CZ2 4.19Å
205L92.1Very high88.4Confident26 Ų2653 Ų5314%0.13627%0.265CS..Hα-helixtrans-65.5-39.4176.8-175.162.2000112.7V193 D201 F202 K203 H208 H209V193-L205 HydrophobicContact CG2-CD2 3.87Å; V193-L205 HydrophobicContact CG2-CG 4.34Å; D201-L205 PolarHBondContact O-N 3.23Å; F202-L205 PolarHBondContact O-N 3.29Å; K203-L205 VanDerWaalsContact C-N 3.34Å; L205-H208 WeakPolarHBondContact O-CB 3.25Å; L205-H208 PolarHBondContact O-N 2.91Å; L205-H209 PolarHBondContact O-CD2 3.34Å; L205-H209 PolarHBondContact O-N 3.33Å
206I93.6Very high89.2Confident33 Ų3346.8 Ų46.817%0.16924%0.241CC..Hα-helixtrans-63-47172.7-72.1175.1000110.7V193 F194 F202 K203 H208 H209 I210V193-I206 HydrophobicContact CG1-CG1 4.13Å; F194-I206 HydrophobicContact CE1-CD1 4.16Å; F194-I206 HydrophobicContact CZ-CD1 4.16Å; F202-I206 HydrophobicContact CD1-CD1 3.88Å; F202-I206 HydrophobicContact CE1-CD1 3.28Å; F202-I206 HydrophobicContact CE1-CG1 4.37Å; F202-I206 HydrophobicContact CE2-CD1 4.16Å; F202-I206 HydrophobicContact CZ-CD1 3.46Å; F202-I206 VanDerWaalsContact CZ-CD1 3.46Å; F202-I206 HydrophobicContact CZ-CG1 4.36Å; F202-I206 PolarHBondContact O-N 3.25Å; K203-I206 PolarHBondContact O-N 3.14Å; I206-H208 PolarHBondContact O-N 3.46Å; I206-H209 PolarHBondContact O-N 3Å; I206-H209 VanDerWaalsContact O-N 3.15Å; I206-I210 HydrophobicContact CG2-CD1 3.69Å; I206-I210 HydrophobicContact CG2-CG1 4.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.42Å; I206-I210 PolarHBondContact O-N 3.48Å
207G94.5Very high90.1Very high29 Ų2946.4 Ų46.430%0.29924%0.241SC..Hα-helixtrans-57.7-38.4177.200000112.5K203 V204 S211K203-G207 PolarHBondContact O-N 3.49Å; K203-G207 VanDerWaalsContact O-N 3.08Å; V204-G207 PolarHBondContact O-N 3.31Å; G207-S211 WeakPolarHBondContact O-CB 3.4Å; G207-S211 PolarHBondContact O-N 3.45Å; G207-S211 PolarHBondContact O-OG 3.01Å
208H96.2Very high91.3Very high26 Ų2646.3 Ų46.312%0.1224%0.238CC..Hα-helixtrans-59.7-56170.8172.9-123000112.2V204 L205 I206 I210 S211 T212 L311 W315V204-H208 PolarHBondContact O-N 3.11Å; L205-H208 WeakPolarHBondContact O-CB 3.25Å; L205-H208 PolarHBondContact O-N 2.91Å; I206-H208 PolarHBondContact O-N 3.46Å; H208-I210 VanDerWaalsContact C-N 3.3Å; H208-I210 PolarHBondContact O-N 3.42Å; H208-S211 WeakPolarHBondContact O-CA 3.43Å; H208-S211 WeakPolarHBondContact O-CB 3.39Å; H208-S211 PolarHBondContact O-N 3.35Å; H208-T212 PolarHBondContact CD2-OG1 2.86Å; H208-T212 VanDerWaalsContact CD2-OG1 3.31Å; H208-T212 PolarHBondContact NE2-OG1 2.86Å; H208-T212 VanDerWaalsContact NE2-OG1 3.11Å; H208-T212 PolarHBondContact O-N 3.27Å; H208-T212 PolarHBondContact O-OG1 2.86Å; H208-T212 VanDerWaalsContact O-OG1 3.08Å; H208-L311 HydrophobicContact CB-CD1 3.89Å; H208-W315 HydrophobicContact CB-CH2 3.66Å; H208-W315 HydrophobicContact CB-CZ2 4.02Å; H208-W315 AromaticContact CD2-CH2 3.68Å; H208-W315 AromaticContact CG-CH2 3.53Å
209H95.1Very high92.4Very high19 Ų1938.1 Ų38.19%0.08820%0.203CC..Hα-helixtrans-60.3-40-177.1-75.7-61.6000112.6L190 L205 I206 S211 T212 V213L190-H209 HydrophobicContact CB-CB 4.13Å; L190-H209 HydrophobicContact CD1-CB 3.73Å; L190-H209 HydrophobicContact CG-CB 4.45Å; L205-H209 PolarHBondContact O-CD2 3.34Å; L205-H209 PolarHBondContact O-N 3.33Å; I206-H209 PolarHBondContact O-N 3Å; I206-H209 VanDerWaalsContact O-N 3.15Å; H209-S211 VanDerWaalsContact C-N 3.34Å; H209-S211 PolarHBondContact O-N 2.7Å; H209-T212 PolarHBondContact O-N 3.35Å; H209-V213 WeakPolarHBondContact O-CB 3.32Å; H209-V213 VanDerWaalsContact O-CG2 3.28Å; H209-V213 WeakPolarHBondContact O-CG2 3.25Å; H209-V213 PolarHBondContact O-N 3.04Å
210I95.9Very high93.4Very high80 Ų8035.4 Ų35.441%0.4119%0.193SC..Hα-helixtrans-60.4-46173.7-67.2170.4000110.4L190 I206 H208 S214L190-I210 HydrophobicContact CD1-CG1 4.22Å; I206-I210 HydrophobicContact CG2-CD1 3.69Å; I206-I210 HydrophobicContact CG2-CG1 4.3Å; I206-I210 WeakPolarHBondContact O-CG1 3.42Å; I206-I210 PolarHBondContact O-N 3.48Å; H208-I210 VanDerWaalsContact C-N 3.3Å; H208-I210 PolarHBondContact O-N 3.42Å; I210-S214 VanDerWaalsContact O-CB 3.23Å; I210-S214 WeakPolarHBondContact O-CB 3.34Å; I210-S214 PolarHBondContact O-N 2.89Å; I210-S214 PolarHBondContact O-OG 2.83Å
211S97.5Very high94Very high6 Ų632.1 Ų32.14%0.04217%0.169CC..Hα-helixtrans-63.6-46.2179.7-56.70000111.6G207 H208 H209 S214 L215 V307G207-S211 WeakPolarHBondContact O-CB 3.4Å; G207-S211 PolarHBondContact O-N 3.45Å; G207-S211 PolarHBondContact O-OG 3.01Å; H208-S211 WeakPolarHBondContact O-CA 3.43Å; H208-S211 WeakPolarHBondContact O-CB 3.39Å; H208-S211 PolarHBondContact O-N 3.35Å; H209-S211 VanDerWaalsContact C-N 3.34Å; H209-S211 PolarHBondContact O-N 2.7Å; S211-S214 PolarHBondContact O-N 3.09Å; S211-L215 WeakPolarHBondContact O-CB 3.47Å; S211-L215 VanDerWaalsContact O-CG 3.27Å; S211-L215 WeakPolarHBondContact O-CG 3.4Å; S211-L215 PolarHBondContact O-N 3.2Å; S211-V307 WeakPolarHBondContact OG-CG1 3.3Å
212T97.2Very high94.2Very high10 Ų1032 Ų326%0.06117%0.169CC..Hα-helixtrans-64.3-50.1-179.7-57.50000111.2Y186 H208 H209 S214 L215 L216Y186-T212 HydrophobicContact CD1-CG2 4.06Å; Y186-T212 HydrophobicContact CD2-CG2 3.83Å; Y186-T212 HydrophobicContact CE1-CG2 4.26Å; Y186-T212 HydrophobicContact CE2-CG2 4.07Å; Y186-T212 HydrophobicContact CG-CG2 3.84Å; H208-T212 PolarHBondContact CD2-OG1 2.86Å; H208-T212 VanDerWaalsContact CD2-OG1 3.31Å; H208-T212 PolarHBondContact NE2-OG1 2.86Å; H208-T212 VanDerWaalsContact NE2-OG1 3.11Å; H208-T212 PolarHBondContact O-N 3.27Å; H208-T212 PolarHBondContact O-OG1 2.86Å; H208-T212 VanDerWaalsContact O-OG1 3.08Å; H209-T212 PolarHBondContact O-N 3.35Å; T212-S214 VanDerWaalsContact C-N 3.31Å; T212-S214 PolarHBondContact O-N 2.92Å; T212-L215 PolarHBondContact O-N 3.37Å; T212-L216 HydrophobicContact CG2-CD1 3.67Å; T212-L216 WeakPolarHBondContact O-CD1 3.49Å; T212-L216 PolarHBondContact O-N 2.68Å
213V96.3Very high94.4Very high23 Ų2329.3 Ų29.314%0.13916%0.157CC..Hα-helixtrans-59.1-43.8176.1171.80000110.8L183 H209 L216 T217L183-V213 HydrophobicContact CD1-CG1 4.06Å; H209-V213 WeakPolarHBondContact O-CB 3.32Å; H209-V213 VanDerWaalsContact O-CG2 3.28Å; H209-V213 WeakPolarHBondContact O-CG2 3.25Å; H209-V213 PolarHBondContact O-N 3.04Å; V213-L216 PolarHBondContact O-N 2.93Å; V213-T217 WeakPolarHBondContact O-CB 3.47Å; V213-T217 PolarHBondContact O-N 3.44Å; V213-T217 PolarHBondContact O-OG1 3.23Å; V213-T217 VanDerWaalsContact O-OG1 3.05Å
214S95.8Very high94.6Very high27 Ų2720.6 Ų20.619%0.18912%0.119CC..Hα-helixtrans-63.5-44.9178.4-57.90000112.2I210 S211 T212 L216 T217 F218 F304I210-S214 VanDerWaalsContact O-CB 3.23Å; I210-S214 WeakPolarHBondContact O-CB 3.34Å; I210-S214 PolarHBondContact O-N 2.89Å; I210-S214 PolarHBondContact O-OG 2.83Å; S211-S214 PolarHBondContact O-N 3.09Å; T212-S214 VanDerWaalsContact C-N 3.31Å; T212-S214 PolarHBondContact O-N 2.92Å; S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 3.26Å; S214-T217 PolarHBondContact O-N 3.2Å; S214-F218 VanDerWaalsContact O-CB 3.25Å; S214-F218 WeakPolarHBondContact O-CB 2.99Å; S214-F218 WeakPolarHBondContact O-CD2 3.36Å; S214-F218 WeakPolarHBondContact O-CG 2.93Å; S214-F218 PolarHBondContact O-N 2.83Å; S214-F304 VanDerWaalsContact CB-CE2 3.45Å
215L97.5Very high94.6Very high14 Ų1418.7 Ų18.77%0.07311%0.107CC..Hα-helixtrans-58.6-46175.4-79.3167.9000111.3S211 T212 S219 M301 F304 L305 L308S211-L215 WeakPolarHBondContact O-CB 3.47Å; S211-L215 VanDerWaalsContact O-CG 3.27Å; S211-L215 WeakPolarHBondContact O-CG 3.4Å; S211-L215 PolarHBondContact O-N 3.2Å; T212-L215 PolarHBondContact O-N 3.37Å; L215-S219 VanDerWaalsContact O-CB 3.26Å; L215-S219 WeakPolarHBondContact O-CB 3.17Å; L215-S219 PolarHBondContact O-N 3.5Å; L215-S219 PolarHBondContact O-OG 3.03Å; L215-M301 HydrophobicContact CD2-CG 3.82Å; L215-M301 WeakPolarHBondContact CD2-O 3.15Å; L215-F304 HydrophobicContact CD1-CB 3.95Å; L215-F304 HydrophobicContact CD2-CB 3.57Å; L215-F304 HydrophobicContact CG-CB 3.53Å; L215-F304 HydrophobicContact CG-CG 4.43Å; L215-L305 HydrophobicContact CD1-CD2 4.15Å; L215-L305 HydrophobicContact CD2-CD2 3.97Å; L215-L305 HydrophobicContact CD2-CG 3.84Å; L215-L308 HydrophobicContact CD1-CD2 4.13Å
216L96.5Very high94.7Very high8 Ų819.8 Ų19.84%0.04211%0.11CC..Hα-helixtrans-62.7-53.3178.6-88.286.4000111Y179 Q182 L183 T212 V213 S214 F218 S219 Y220 L232Y179-L216 HydrophobicContact CD1-CD2 4.29Å; Y179-L216 HydrophobicContact CD1-CG 4.48Å; Y179-L216 HydrophobicContact CE1-CB 3.6Å; Y179-L216 HydrophobicContact CE1-CD2 3.92Å; Y179-L216 HydrophobicContact CE1-CG 3.64Å; Y179-L216 WeakPolarHBondContact CE1-O 3.39Å; Y179-L216 VanDerWaalsContact OH-CA 3.3Å; Y179-L216 WeakPolarHBondContact OH-CA 3.06Å; Q182-L216 HydrophobicContact CB-CD2 4.07Å; L183-L216 HydrophobicContact CB-CB 4.47Å; L183-L216 HydrophobicContact CB-CD2 3.81Å; L183-L216 HydrophobicContact CD1-CB 3.84Å; L183-L216 HydrophobicContact CD1-CD2 4.46Å; T212-L216 HydrophobicContact CG2-CD1 3.67Å; T212-L216 WeakPolarHBondContact O-CD1 3.49Å; T212-L216 PolarHBondContact O-N 2.68Å; V213-L216 PolarHBondContact O-N 2.93Å; S214-L216 VanDerWaalsContact C-N 3.33Å; S214-L216 PolarHBondContact O-N 3.26Å; L216-F218 PolarHBondContact O-N 3.45Å; L216-S219 PolarHBondContact O-OG 2.94Å; L216-Y220 VanDerWaalsContact O-CB 3.23Å; L216-Y220 WeakPolarHBondContact O-CB 3.22Å; L216-Y220 PolarHBondContact O-N 3.42Å; L216-L232 HydrophobicContact CD1-CD2 4.01Å; L216-L232 HydrophobicContact CD2-CD1 4.48Å; L216-L232 HydrophobicContact CD2-CD2 4.07Å; L216-L232 HydrophobicContact CG-CD2 4.3Å
217T94.2Very high94.8Very high33 Ų3318.6 Ų18.620%0.20210%0.104CC..Hα-helixtrans-59.9-45.6-179-58.30000112.1V213 S214 I221V213-T217 WeakPolarHBondContact O-CB 3.47Å; V213-T217 PolarHBondContact O-N 3.44Å; V213-T217 PolarHBondContact O-OG1 3.23Å; V213-T217 VanDerWaalsContact O-OG1 3.05Å; S214-T217 PolarHBondContact O-N 3.2Å; T217-I221 HydrophobicContact CG2-CD1 3.69Å; T217-I221 VanDerWaalsContact O-CG1 3.27Å; T217-I221 WeakPolarHBondContact O-CG1 3.49Å; T217-I221 PolarHBondContact O-N 2.95Å
218F94Very high94.9Very high41 Ų4117.5 Ų17.518%0.189%0.093CC..Hα-helixtrans-69.9-47.5-175.3-81.3-136.1000111W11 S214 L216 Y220 I221 T222 I300W11-F218 HydrophobicContact CH2-CD1 4.37Å; W11-F218 HydrophobicContact CH2-CD2 4.42Å; W11-F218 HydrophobicContact CH2-CE1 4.02Å; W11-F218 HydrophobicContact CH2-CE2 4.07Å; W11-F218 AromaticContact CH2-CZ 3.86Å; W11-F218 HydrophobicContact CH2-CZ 3.86Å; W11-F218 AromaticContact CZ3-CD1 3.87Å; W11-F218 HydrophobicContact CZ3-CD1 3.87Å; W11-F218 HydrophobicContact CZ3-CD2 4.34Å; W11-F218 AromaticContact CZ3-CE1 3.93Å; W11-F218 HydrophobicContact CZ3-CE1 3.93Å; W11-F218 HydrophobicContact CZ3-CE2 4.39Å; W11-F218 HydrophobicContact CZ3-CG 4.08Å; W11-F218 HydrophobicContact CZ3-CZ 4.19Å; S214-F218 VanDerWaalsContact O-CB 3.25Å; S214-F218 WeakPolarHBondContact O-CB 2.99Å; S214-F218 WeakPolarHBondContact O-CD2 3.36Å; S214-F218 WeakPolarHBondContact O-CG 2.93Å; S214-F218 PolarHBondContact O-N 2.83Å; L216-F218 PolarHBondContact O-N 3.45Å; F218-Y220 VanDerWaalsContact C-N 3.27Å; F218-Y220 PolarHBondContact O-N 2.82Å; F218-I221 PolarHBondContact O-N 3.32Å; F218-T222 WeakPolarHBondContact O-CB 3.42Å; F218-T222 WeakPolarHBondContact O-CG2 3.37Å; F218-T222 PolarHBondContact O-N 2.91Å; F218-T222 PolarHBondContact O-OG1 3.11Å; F218-I300 HydrophobicContact CD1-CG2 4.09Å; F218-I300 HydrophobicContact CE1-CB 4.34Å; F218-I300 HydrophobicContact CE1-CD1 4.4Å; F218-I300 HydrophobicContact CE1-CG2 3.71Å
219S94.8Very high95Very high6 Ų616.3 Ų16.34%0.0429%0.087CC..Hα-helixtrans-69-27.9-179.664.90000112.3Y179 L215 L216 N223 Y224 H225Y179-S219 PolarHBondContact OH-OG 2.75Å; L215-S219 VanDerWaalsContact O-CB 3.26Å; L215-S219 WeakPolarHBondContact O-CB 3.17Å; L215-S219 PolarHBondContact O-N 3.5Å; L215-S219 PolarHBondContact O-OG 3.03Å; L216-S219 PolarHBondContact O-OG 2.94Å; S219-N223 PolarHBondContact O-N 3.08Å; S219-Y224 CarbonylContact O-C 3.57Å; S219-Y224 WeakPolarHBondContact O-CA 3.19Å; S219-Y224 PolarHBondContact O-N 2.92Å; S219-H225 PolarHBondContact O-N 3.37Å
220Y93.7Very high95.1Very high0 Ų015.6 Ų15.60%08%0.084CC..Hα-helixtrans-64.5-57.3168.8-175.9-96.8000111.4P31 L171 H176 Y179 M180 L216 F218 T222 N223P31-Y220 HydrophobicContact CB-CD1 4.1Å; P31-Y220 HydrophobicContact CB-CE1 3.78Å; P31-Y220 HydrophobicContact CB-CE2 4.28Å; P31-Y220 HydrophobicContact CB-CG 4.49Å; P31-Y220 WeakPolarHBondContact CB-O 3.44Å; L171-Y220 HydrophobicContact CD2-CD2 4.4Å; L171-Y220 HydrophobicContact CD2-CE2 3.45Å; L171-Y220 VanDerWaalsContact CD2-CE2 3.45Å; H176-Y220 AromaticContact CE1-CZ 3.93Å; H176-Y220 PolarHBondContact CE1-OH 2.97Å; H176-Y220 AromaticContact ND1-CE2 3.6Å; H176-Y220 AromaticContact ND1-CZ 3.58Å; H176-Y220 PolarHBondContact ND1-OH 3.19Å; Y179-Y220 AromaticContact CD1-CD2 3.96Å; Y179-Y220 HydrophobicContact CD1-CD2 3.96Å; Y179-Y220 HydrophobicContact CD1-CG 4.4Å; Y179-Y220 HydrophobicContact CG-CD2 4.23Å; M180-Y220 HydrophobicContact CE-CD1 4.11Å; M180-Y220 HydrophobicContact CE-CD2 3.44Å; M180-Y220 VanDerWaalsContact CE-CD2 3.44Å; M180-Y220 HydrophobicContact CE-CE1 3.9Å; M180-Y220 HydrophobicContact CE-CE2 3.18Å; M180-Y220 HydrophobicContact CE-CG 3.9Å; M180-Y220 VanDerWaalsContact CE-CZ 3.44Å; L216-Y220 VanDerWaalsContact O-CB 3.23Å; L216-Y220 WeakPolarHBondContact O-CB 3.22Å; L216-Y220 PolarHBondContact O-N 3.42Å; F218-Y220 VanDerWaalsContact C-N 3.27Å; F218-Y220 PolarHBondContact O-N 2.82Å; Y220-T222 VanDerWaalsContact C-N 3.28Å; Y220-T222 PolarHBondContact O-N 3.11Å; Y220-N223 PolarHBondContact O-N 3.05Å; Y220-N223 VanDerWaalsContact O-N 3.13Å
221I90.8Very high95.2Very high6 Ų612.6 Ų12.63%0.0317%0.07CC..Hα-helixtrans-60.9-36.4-176.4-68.2169.1000112.2W6 W11 W18 L33 T217 F218 N223W6-I221 HydrophobicContact CH2-CD1 4.47Å; W6-I221 HydrophobicContact CH2-CG2 4.25Å; W6-I221 HydrophobicContact CZ3-CG2 3.84Å; W11-I221 HydrophobicContact CE3-CG2 4.48Å; W18-I221 HydrophobicContact CH2-CG2 3.95Å; W18-I221 HydrophobicContact CZ3-CG2 4.35Å; L33-I221 HydrophobicContact CD1-CD1 3.99Å; T217-I221 HydrophobicContact CG2-CD1 3.69Å; T217-I221 VanDerWaalsContact O-CG1 3.27Å; T217-I221 WeakPolarHBondContact O-CG1 3.49Å; T217-I221 PolarHBondContact O-N 2.95Å; F218-I221 PolarHBondContact O-N 3.32Å; I221-N223 VanDerWaalsContact C-N 3.34Å
222T91Very high95.2Very high3 Ų312.7 Ų12.72%0.0187%0.07CC..THydrogen-bonded Turntrans-92.510.2-178.1580000113.6W11 Y166 F218 Y220 Y224 A297W11-T222 HydrophobicContact CE3-CG2 3.76Å; W11-T222 HydrophobicContact CZ3-CG2 4.44Å; W11-T222 WeakPolarHBondContact O-CG2 3.27Å; Y166-T222 VanDerWaalsContact CE2-O 3.26Å; Y166-T222 WeakPolarHBondContact CE2-O 3.34Å; Y166-T222 PolarHBondContact OH-O 3.47Å; F218-T222 WeakPolarHBondContact O-CB 3.42Å; F218-T222 WeakPolarHBondContact O-CG2 3.37Å; F218-T222 PolarHBondContact O-N 2.91Å; F218-T222 PolarHBondContact O-OG1 3.11Å; Y220-T222 VanDerWaalsContact C-N 3.28Å; Y220-T222 PolarHBondContact O-N 3.11Å; T222-Y224 VanDerWaalsContact C-N 3.31Å; T222-Y224 PolarHBondContact O-N 3.46Å; T222-Y224 VanDerWaalsContact OG1-CD2 3.31Å; T222-Y224 WeakPolarHBondContact OG1-CD2 3.44Å; T222-A297 HydrophobicContact CG2-CB 4.46Å
223N91.7Very high95.2Very high0 Ų012.7 Ų12.70%07%0.069CC..THydrogen-bonded Turntrans63.527.5176.7-151.927.4000115.6M21 Y166 P167 H169 S219 Y220 I221 H225M21-N223 HydrophobicContact CE-CB 3.41Å; M21-N223 VanDerWaalsContact CE-CB 3.41Å; M21-N223 HydrophobicContact SD-CB 4.4Å; Y166-N223 HydrophobicContact CE2-CB 4.4Å; P167-N223 PolarHBondContact O-ND2 2.89Å; H169-N223 PolarHBondContact ND1-O 3.38Å; H169-N223 PolarHBondContact O-ND2 3.07Å; H169-N223 PolarHBondContact O-OD1 2.86Å; S219-N223 PolarHBondContact O-N 3.08Å; Y220-N223 PolarHBondContact O-N 3.05Å; Y220-N223 VanDerWaalsContact O-N 3.13Å; I221-N223 VanDerWaalsContact C-N 3.34Å; N223-H225 VanDerWaalsContact C-N 3.28Å; N223-H225 PolarHBondContact OD1-CD2 3.38Å; N223-H225 PolarHBondContact OD1-NE2 3.35Å
224Y93.6Very high95.2Very high1 Ų112.7 Ų12.70%0.0047%0.068CC..  trans-92.226.1167.5-69.9-67.5000112.6M163 Y166 S219 T222 R226 V227 G228 V288 Y295 M301M163-Y224 HydrophobicContact CE-CD1 4.21Å; M163-Y224 HydrophobicContact SD-CD1 4.23Å; M163-Y224 HydrophobicContact SD-CE1 4.21Å; Y166-Y224 AromaticContact CD2-CD1 3.91Å; Y166-Y224 HydrophobicContact CD2-CD1 3.91Å; Y166-Y224 AromaticContact CD2-CE1 3.49Å; Y166-Y224 HydrophobicContact CD2-CE1 3.49Å; Y166-Y224 VanDerWaalsContact CD2-CE1 3.49Å; Y166-Y224 AromaticContact CD2-CZ 3.91Å; Y166-Y224 AromaticContact CE2-CD1 3.8Å; Y166-Y224 HydrophobicContact CE2-CD1 3.8Å; Y166-Y224 HydrophobicContact CE2-CD2 4.16Å; Y166-Y224 AromaticContact CE2-CE1 3.44Å; Y166-Y224 HydrophobicContact CE2-CE1 3.44Å; Y166-Y224 VanDerWaalsContact CE2-CE1 3.44Å; Y166-Y224 AromaticContact CE2-CE2 3.83Å; Y166-Y224 HydrophobicContact CE2-CE2 3.83Å; Y166-Y224 HydrophobicContact CE2-CG 4.13Å; Y166-Y224 AromaticContact CE2-CZ 3.44Å; Y166-Y224 VanDerWaalsContact CE2-CZ 3.44Å; Y166-Y224 HydrophobicContact CG-CE1 4.07Å; Y166-Y224 AromaticContact CZ-CE1 3.99Å; Y166-Y224 AromaticContact CZ-CE2 3.83Å; Y166-Y224 AromaticContact CZ-CZ 3.5Å; Y166-Y224 VanDerWaalsContact CZ-CZ 3.5Å; S219-Y224 CarbonylContact O-C 3.57Å; S219-Y224 WeakPolarHBondContact O-CA 3.19Å; S219-Y224 PolarHBondContact O-N 2.92Å; T222-Y224 VanDerWaalsContact C-N 3.31Å; T222-Y224 PolarHBondContact O-N 3.46Å; T222-Y224 VanDerWaalsContact OG1-CD2 3.31Å; T222-Y224 WeakPolarHBondContact OG1-CD2 3.44Å; Y224-R226 PolarHBondContact O-N 3.33Å; Y224-R226 VanDerWaalsContact O-N 3.17Å; Y224-V227 WeakPolarHBondContact O-CG1 3.28Å; Y224-V227 PolarHBondContact O-N 3.45Å; Y224-G228 PolarHBondContact O-N 2.68Å; Y224-G228 VanDerWaalsContact O-N 3.15Å; Y224-V288 HydrophobicContact CE1-CG1 4.33Å; Y224-V288 HydrophobicContact CE1-CG2 3.94Å; Y224-V288 WeakPolarHBondContact OH-CG1 3.49Å; Y224-Y295 WeakPolarHBondContact CE2-OH 3.24Å; Y224-Y295 PolarHBondContact OH-OH 2.87Å; Y224-M301 HydrophobicContact CD1-CE 4.48Å; Y224-M301 HydrophobicContact CD2-CE 3.58Å; Y224-M301 HydrophobicContact CD2-SD 3.96Å; Y224-M301 HydrophobicContact CE2-CE 3.93Å; Y224-M301 HydrophobicContact CG-CE 3.9Å; Y224-M301 HydrophobicContact CG-SD 4.27Å
225H94.2Very high95.3Very high2 Ų212 Ų121%0.0096%0.062CC..Hα-helixtrans-61.5-25.7-178.467.279.4000112.9L171 Y179 S219 N223 G228 A229L171-H225 HydrophobicContact CD1-CB 4.3Å; Y179-H225 HydrophobicContact CD2-CB 4.45Å; Y179-H225 HydrophobicContact CE2-CB 4.38Å; S219-H225 PolarHBondContact O-N 3.37Å; N223-H225 VanDerWaalsContact C-N 3.28Å; N223-H225 PolarHBondContact OD1-CD2 3.38Å; N223-H225 PolarHBondContact OD1-NE2 3.35Å; H225-G228 PolarHBondContact O-N 2.83Å; H225-A229 WeakPolarHBondContact O-CB 3.23Å; H225-A229 PolarHBondContact O-N 3.36Å
226R95.5Very high95.3Very high49 Ų4911.4 Ų11.419%0.1856%0.059CC..Hα-helixtrans-62.4-52.4179.1-65-174.3174.5-175.40.1112.1Y155 A162 H169 Y224 G228 A229 V230Y155-R226 HydrophobicContact CD1-CB 4.2Å; Y155-R226 HydrophobicContact CD1-CG 3.99Å; Y155-R226 HydrophobicContact CD2-CB 4.03Å; Y155-R226 HydrophobicContact CE1-CB 4.16Å; Y155-R226 HydrophobicContact CE1-CG 3.64Å; Y155-R226 HydrophobicContact CE2-CB 3.99Å; Y155-R226 HydrophobicContact CE2-CG 4.25Å; Y155-R226 HydrophobicContact CG-CB 4.13Å; Y155-R226 HydrophobicContact CG-CG 4.43Å; A162-R226 HydrophobicContact CB-CB 4.02Å; H169-R226 PolarHBondContact CD2-NH1 3.19Å; H169-R226 VanDerWaalsContact CD2-NH1 3.33Å; Y224-R226 PolarHBondContact O-N 3.33Å; Y224-R226 VanDerWaalsContact O-N 3.17Å; R226-G228 VanDerWaalsContact C-N 3.33Å; R226-A229 PolarHBondContact O-N 3.43Å; R226-V230 PolarHBondContact O-N 3.4Å
227V95.7Very high95.3Very high7 Ų712.7 Ų12.74%0.0427%0.065CC..Hα-helixtrans-67-38.5174.557.70000111.2I159 A162 M163 Y224 A229 V230 V231 V280I159-V227 HydrophobicContact CD1-CG2 4.31Å; A162-V227 HydrophobicContact CB-CB 4.27Å; M163-V227 HydrophobicContact CE-CB 3.37Å; M163-V227 HydrophobicContact CE-CG1 3.37Å; M163-V227 HydrophobicContact CE-CG2 4.15Å; Y224-V227 WeakPolarHBondContact O-CG1 3.28Å; Y224-V227 PolarHBondContact O-N 3.45Å; V227-A229 VanDerWaalsContact C-N 3.31Å; V227-A229 PolarHBondContact O-N 2.93Å; V227-V230 PolarHBondContact O-N 2.89Å; V227-V231 HydrophobicContact CG2-CG2 4.34Å; V227-V231 WeakPolarHBondContact O-CG2 3.49Å; V227-V231 PolarHBondContact O-N 3.46Å; V227-V280 HydrophobicContact CG2-CG1 3.75Å
228G96.9Very high95.4Very high7 Ų711.1 Ų11.17%0.0726%0.056CC..Hα-helixtrans-55.3-46.5174.500000112Y224 H225 R226 V230 V231 L232Y224-G228 PolarHBondContact O-N 2.68Å; Y224-G228 VanDerWaalsContact O-N 3.15Å; H225-G228 PolarHBondContact O-N 2.83Å; R226-G228 VanDerWaalsContact C-N 3.33Å; G228-V230 PolarHBondContact O-N 3.35Å; G228-V231 WeakPolarHBondContact O-CB 3.48Å; G228-V231 PolarHBondContact O-N 3.36Å; G228-V231 VanDerWaalsContact O-N 3.16Å; G228-L232 WeakPolarHBondContact O-CG 3.38Å; G228-L232 PolarHBondContact O-N 2.88Å
229A97.6Very high95.6Very high0 Ų09.9 Ų9.90%05%0.051CC..Hα-helixtrans-63.9-38.8179.600000112.7L150 I175 Y178 H225 R226 V227 L232 I233L150-A229 HydrophobicContact CD1-CB 4.4Å; L150-A229 HydrophobicContact CD2-CB 3.91Å; I175-A229 HydrophobicContact CD1-CB 4.4Å; I175-A229 HydrophobicContact CG2-CB 4.49Å; Y178-A229 HydrophobicContact CD1-CB 4.3Å; Y178-A229 HydrophobicContact CE1-CB 4.33Å; H225-A229 WeakPolarHBondContact O-CB 3.23Å; H225-A229 PolarHBondContact O-N 3.36Å; R226-A229 PolarHBondContact O-N 3.43Å; V227-A229 VanDerWaalsContact C-N 3.31Å; V227-A229 PolarHBondContact O-N 2.93Å; A229-L232 PolarHBondContact O-N 2.93Å; A229-I233 PolarHBondContact O-N 2.82Å
230V97.5Very high95.6Very high4 Ų410.1 Ų10.12%0.0245%0.053CC..Hα-helixtrans-66-41.2173.4178.50000111Y155 I159 R226 V227 G228 L232 I233 L234 Y275Y155-V230 HydrophobicContact CD2-CG2 4.03Å; Y155-V230 WeakPolarHBondContact O-CG2 3.45Å; I159-V230 HydrophobicContact CD1-CB 3.94Å; I159-V230 HydrophobicContact CD1-CG1 3.9Å; I159-V230 HydrophobicContact CD1-CG2 4.02Å; R226-V230 PolarHBondContact O-N 3.4Å; V227-V230 PolarHBondContact O-N 2.89Å; G228-V230 PolarHBondContact O-N 3.35Å; V230-L232 VanDerWaalsContact C-N 3.33Å; V230-L232 PolarHBondContact O-N 3.27Å; V230-I233 WeakPolarHBondContact O-CG2 3.33Å; V230-L234 HydrophobicContact CG1-CD1 3.84Å; V230-L234 HydrophobicContact CG1-CG 4.33Å; V230-L234 WeakPolarHBondContact O-CB 3.3Å; V230-L234 WeakPolarHBondContact O-CD1 3.37Å; V230-L234 WeakPolarHBondContact O-CG 3.48Å; V230-L234 PolarHBondContact O-N 2.84Å; V230-Y275 HydrophobicContact CG1-CE1 4.27Å
231V97.6Very high95.8Very high18 Ų1814.1 Ų14.111%0.1097%0.068CC..Hα-helixtrans-57.6-48.1173.8171.10000110.3V227 G228 I233 L234 H235 F276 V280V227-V231 HydrophobicContact CG2-CG2 4.34Å; V227-V231 WeakPolarHBondContact O-CG2 3.49Å; V227-V231 PolarHBondContact O-N 3.46Å; G228-V231 WeakPolarHBondContact O-CB 3.48Å; G228-V231 PolarHBondContact O-N 3.36Å; G228-V231 VanDerWaalsContact O-N 3.16Å; V231-I233 PolarHBondContact O-N 2.87Å; V231-L234 PolarHBondContact O-N 2.9Å; V231-H235 PolarHBondContact O-N 3.18Å; V231-H235 PolarHBondContact O-ND1 3.38Å; V231-F276 HydrophobicContact CG1-CE2 4.09Å; V231-F276 HydrophobicContact CG2-CD2 4.41Å; V231-F276 HydrophobicContact CG2-CE2 3.98Å; V231-V280 HydrophobicContact CG2-CG1 3.64Å
232L98Very high96.1Very high8 Ų815.6 Ų15.64%0.0428%0.075CC..Hα-helixtrans-57.3-53.3-178.3-69.3172.9000112.4Y178 Y179 Q182 L216 G228 A229 V230 L234 H235 D236Y178-L232 HydrophobicContact CD1-CD1 4.26Å; Y178-L232 HydrophobicContact CE1-CB 3.88Å; Y178-L232 HydrophobicContact CE1-CD1 4.04Å; Y179-L232 HydrophobicContact CD2-CD1 4.06Å; Y179-L232 HydrophobicContact CE2-CD1 4.04Å; Q182-L232 HydrophobicContact CB-CD1 4.26Å; Q182-L232 HydrophobicContact CB-CD2 4.22Å; Q182-L232 HydrophobicContact CG-CD1 4.33Å; L216-L232 HydrophobicContact CD1-CD2 4.01Å; L216-L232 HydrophobicContact CD2-CD1 4.48Å; L216-L232 HydrophobicContact CD2-CD2 4.07Å; L216-L232 HydrophobicContact CG-CD2 4.3Å; G228-L232 WeakPolarHBondContact O-CG 3.38Å; G228-L232 PolarHBondContact O-N 2.88Å; A229-L232 PolarHBondContact O-N 2.93Å; V230-L232 VanDerWaalsContact C-N 3.33Å; V230-L232 PolarHBondContact O-N 3.27Å; L232-L234 VanDerWaalsContact C-N 3.29Å; L232-L234 PolarHBondContact O-N 2.97Å; L232-H235 PolarHBondContact O-N 3.22Å; L232-D236 PolarHBondContact O-N 3.25Å
233I97.2Very high96.4Very high9 Ų915.7 Ų15.75%0.0468%0.076CC..Hα-helixtrans-64.5-33.7-177-164.4172000112.8F143 L147 L150 F156 Y178 A229 V230 V231 H235 I237F143-I233 HydrophobicContact CD2-CD1 4.31Å; F143-I233 HydrophobicContact CD2-CG1 3.7Å; F143-I233 HydrophobicContact CE2-CD1 4.13Å; F143-I233 HydrophobicContact CE2-CG1 3.77Å; L147-I233 HydrophobicContact CD2-CD1 3.85Å; L147-I233 HydrophobicContact CG-CD1 4.1Å; L150-I233 HydrophobicContact CD1-CB 4.2Å; L150-I233 HydrophobicContact CD1-CD1 4.2Å; L150-I233 HydrophobicContact CD1-CG2 3.89Å; F156-I233 HydrophobicContact CE2-CD1 4Å; F156-I233 HydrophobicContact CE2-CG2 4.48Å; Y178-I233 WeakPolarHBondContact OH-CA 3.34Å; Y178-I233 PolarHBondContact OH-N 3.46Å; A229-I233 PolarHBondContact O-N 2.82Å; V230-I233 WeakPolarHBondContact O-CG2 3.33Å; V231-I233 PolarHBondContact O-N 2.87Å; I233-H235 PolarHBondContact O-N 2.95Å; I233-I237 PolarHBondContact O-N 3.4Å
234L96.6Very high96.7Very high24 Ų2416.5 Ų16.513%0.1268%0.082CC..Hα-helixtrans-63.5-30.7174.9-74.6167.4000112.9V230 V231 L232 I237 T271 Y275 V280V230-L234 HydrophobicContact CG1-CD1 3.84Å; V230-L234 HydrophobicContact CG1-CG 4.33Å; V230-L234 WeakPolarHBondContact O-CB 3.3Å; V230-L234 WeakPolarHBondContact O-CD1 3.37Å; V230-L234 WeakPolarHBondContact O-CG 3.48Å; V230-L234 PolarHBondContact O-N 2.84Å; V231-L234 PolarHBondContact O-N 2.9Å; L232-L234 VanDerWaalsContact C-N 3.29Å; L232-L234 PolarHBondContact O-N 2.97Å; L234-I237 WeakPolarHBondContact O-CG2 3.31Å; L234-T271 HydrophobicContact CD2-CG2 4.19Å; L234-T271 WeakPolarHBondContact O-CB 3.47Å; L234-T271 PolarHBondContact O-OG1 2.72Å; L234-Y275 HydrophobicContact CD1-CD1 3.4Å; L234-Y275 VanDerWaalsContact CD1-CD1 3.4Å; L234-Y275 HydrophobicContact CD1-CE1 3.7Å; L234-Y275 HydrophobicContact CD2-CD1 3.73Å; L234-Y275 HydrophobicContact CD2-CE1 4.24Å; L234-Y275 HydrophobicContact CD2-CG 4.18Å; L234-Y275 HydrophobicContact CG-CD1 4.21Å; L234-V280 HydrophobicContact CD1-CG2 3.81Å
235H97Very high96.9Very high13 Ų1316.7 Ų16.76%0.068%0.084CC..Hα-helixtrans-83.1-47.2179.7-7164.6000110.7V231 L232 I233 I237 A238 D239 R272 F276 H312V231-H235 PolarHBondContact O-N 3.18Å; V231-H235 PolarHBondContact O-ND1 3.38Å; L232-H235 PolarHBondContact O-N 3.22Å; I233-H235 PolarHBondContact O-N 2.95Å; H235-I237 VanDerWaalsContact C-N 3.29Å; H235-I237 PolarHBondContact O-N 3.19Å; H235-A238 PolarHBondContact O-N 3.38Å; H235-D239 PolarHBondContact O-N 3Å; H235-R272 PolarHBondContact O-NH1 2.97Å; H235-R272 PolarHBondContact O-NH2 3.09Å; H235-R272 VanDerWaalsContact O-NH2 3.08Å; H235-F276 AromaticContact CE1-CD2 3.9Å; H235-F276 AromaticContact CE1-CE2 3.95Å; H235-H312 AromaticContact CD2-CE1 3.97Å; H235-H312 AromaticContact CD2-NE2 3.62Å; H235-H312 AromaticContact CE1-CE1 3.93Å; H235-H312 AromaticContact NE2-CE1 3.07Å; H235-H312 PolarHBondContact NE2-CE1 3.3Å; H235-H312 AromaticContact NE2-NE2 3.18Å; H235-H312 PolarHBondContact NE2-NE2 3.47Å; H235-H312 VanDerWaalsContact NE2-NE2 3.18Å
236D97.4Very high96.9Very high0 Ų017.9 Ų17.90%09%0.089CC..Hα-helixtrans-53.4-44.1-177.5-69.6-24.4000112.1F143 Y178 Q182 L232 A238 D239 C240F143-D236 HydrophobicContact CB-CB 4.23Å; Y178-D236 PolarHBondContact OH-OD2 3.29Å; Q182-D236 PolarHBondContact NE2-OD2 3.37Å; L232-D236 PolarHBondContact O-N 3.25Å; D236-A238 PolarHBondContact O-N 3.48Å; D236-D239 PolarHBondContact O-N 3.43Å; D236-D239 VanDerWaalsContact O-N 3.14Å; D236-C240 PolarHBondContact O-N 3.02Å; D236-C240 PolarHBondContact O-SG 3.35Å
237I97.1Very high97Very high35 Ų3516.3 Ų16.318%0.1798%0.084CC..Hα-helixtrans-60.9-40.8-174.3-173.450.6000113.9F143 I233 L234 H235 D239 V267 T271F143-I237 HydrophobicContact CD1-CD1 4.07Å; F143-I237 HydrophobicContact CD2-CB 3.71Å; F143-I237 HydrophobicContact CD2-CD1 4.05Å; F143-I237 HydrophobicContact CD2-CG1 4.29Å; F143-I237 HydrophobicContact CE1-CD1 3.72Å; F143-I237 HydrophobicContact CE2-CB 3.56Å; F143-I237 HydrophobicContact CE2-CD1 3.72Å; F143-I237 HydrophobicContact CE2-CG1 3.82Å; F143-I237 HydrophobicContact CG-CD1 4.21Å; F143-I237 HydrophobicContact CZ-CB 4.28Å; F143-I237 HydrophobicContact CZ-CD1 3.54Å; F143-I237 HydrophobicContact CZ-CG1 4.02Å; I233-I237 PolarHBondContact O-N 3.4Å; L234-I237 WeakPolarHBondContact O-CG2 3.31Å; H235-I237 VanDerWaalsContact C-N 3.29Å; H235-I237 PolarHBondContact O-N 3.19Å; I237-D239 VanDerWaalsContact C-N 3.33Å; I237-V267 HydrophobicContact CG1-CG1 4.18Å; I237-V267 HydrophobicContact CG2-CG1 3.99Å; I237-T271 HydrophobicContact CG2-CG2 3.81Å
238A96.5Very high97Very high0 Ų017.1 Ų17.10%09%0.09CC..Hα-helixtrans-75.3-29.3179.800000111.5H235 D236 C240 W241 M242 F264 V267 W268H235-A238 PolarHBondContact O-N 3.38Å; D236-A238 PolarHBondContact O-N 3.48Å; A238-C240 VanDerWaalsContact C-N 3.32Å; A238-C240 PolarHBondContact O-N 3.24Å; A238-W241 PolarHBondContact O-N 3.3Å; A238-M242 PolarHBondContact O-N 3.21Å; A238-F264 HydrophobicContact CB-CD2 4.49Å; A238-F264 WeakPolarHBondContact O-CD2 3.45Å; A238-V267 HydrophobicContact CB-CB 4.3Å; A238-V267 HydrophobicContact CB-CG1 3.64Å; A238-W268 HydrophobicContact CB-CE3 4.43Å
239D96.3Very high96.9Very high15 Ų1518 Ų188%0.089%0.091CC..Hα-helixtrans-70.7-31.5-177.1-67.22.4000111.2Y139 H235 D236 I237 W241 M242 E243 R272Y139-D239 HydrophobicContact CD1-CB 4.16Å; Y139-D239 HydrophobicContact CD2-CB 3.65Å; Y139-D239 HydrophobicContact CE1-CB 4.29Å; Y139-D239 HydrophobicContact CE2-CB 3.79Å; Y139-D239 HydrophobicContact CG-CB 3.86Å; H235-D239 PolarHBondContact O-N 3Å; D236-D239 PolarHBondContact O-N 3.43Å; D236-D239 VanDerWaalsContact O-N 3.14Å; I237-D239 VanDerWaalsContact C-N 3.33Å; D239-W241 PolarHBondContact O-N 3.18Å; D239-M242 HydrophobicContact CB-CE 4.48Å; D239-M242 PolarHBondContact O-N 2.64Å; D239-E243 WeakPolarHBondContact O-CG 3.49Å; D239-E243 PolarHBondContact O-N 3.07Å; D239-R272 IonicContact OD1-CZ 2.62Å; D239-R272 IonicContact OD1-NH1 3.12Å; D239-R272 IonicContact OD1-NH2 2.88Å; D239-R272 PolarHBondContact OD1-NH2 3.37Å; D239-R272 IonicContact OD2-NH2 3.77Å; D239-R272 PolarHBondContact OD2-NH2 2.94Å
240C96.2Very high96.7Very high12 Ų1218.9 Ų18.98%0.08110%0.095CC..Hα-helixtrans-52.9-52.2168.3-61.60000111.8L136 T140 D236 A238 M242 E243 A244L136-C240 HydrophobicContact CD1-CB 4.4Å; L136-C240 VanDerWaalsContact CD1-O 3.25Å; L136-C240 WeakPolarHBondContact CD1-O 3.47Å; T140-C240 PolarHBondContact N-SG 2.97Å; T140-C240 VanDerWaalsContact N-SG 3.43Å; D236-C240 PolarHBondContact O-N 3.02Å; D236-C240 PolarHBondContact O-SG 3.35Å; A238-C240 VanDerWaalsContact C-N 3.32Å; A238-C240 PolarHBondContact O-N 3.24Å; C240-M242 VanDerWaalsContact C-N 3.35Å; C240-M242 PolarHBondContact O-N 3.29Å; C240-E243 PolarHBondContact O-N 3.39Å; C240-A244 WeakPolarHBondContact O-CB 3.03Å; C240-A244 PolarHBondContact O-N 2.69Å
241W97.8Very high96.6Very high83 Ų8319.9 Ų19.931%0.31410%0.101SC..Hα-helixtrans-67.8-36.5-178.7-59.8108000112.3A238 D239 A245 L260 I263 F264A238-W241 PolarHBondContact O-N 3.3Å; D239-W241 PolarHBondContact O-N 3.18Å; W241-A245 WeakPolarHBondContact O-CB 3.36Å; W241-A245 PolarHBondContact O-N 3.4Å; W241-L260 HydrophobicContact CE3-CD2 3.73Å; W241-L260 HydrophobicContact CZ3-CD2 3.8Å; W241-I263 HydrophobicContact CD2-CB 4.4Å; W241-I263 HydrophobicContact CD2-CG2 3.5Å; W241-I263 VanDerWaalsContact CD2-CG2 3.5Å; W241-I263 HydrophobicContact CE3-CB 4.27Å; W241-I263 HydrophobicContact CE3-CD1 4.39Å; W241-I263 HydrophobicContact CE3-CG2 3.71Å; W241-I263 HydrophobicContact CG-CG2 3.9Å; W241-I263 HydrophobicContact CH2-CG2 4.31Å; W241-I263 HydrophobicContact CZ2-CG2 4.12Å; W241-I263 HydrophobicContact CZ3-CD1 4.1Å; W241-I263 HydrophobicContact CZ3-CG2 4.11Å; W241-F264 HydrophobicContact CB-CB 3.74Å
242M96.8Very high96.3Very high38 Ų3825.2 Ų25.219%0.18713%0.129CC..Hα-helixtrans-59.8-50.5176.3-172.8178.955.400111.5A238 D239 C240 A245 K246 F264A238-M242 PolarHBondContact O-N 3.21Å; D239-M242 HydrophobicContact CB-CE 4.48Å; D239-M242 PolarHBondContact O-N 2.64Å; C240-M242 VanDerWaalsContact C-N 3.35Å; C240-M242 PolarHBondContact O-N 3.29Å; M242-A245 PolarHBondContact O-N 3.46Å; M242-K246 HydrophobicContact CG-CD 4.24Å; M242-K246 WeakPolarHBondContact O-CG 3.41Å; M242-K246 PolarHBondContact O-N 3.27Å; M242-F264 HydrophobicContact CB-CD2 3.62Å; M242-F264 HydrophobicContact CB-CE2 3.57Å; M242-F264 HydrophobicContact CB-CG 4.27Å; M242-F264 HydrophobicContact CB-CZ 4.22Å; M242-F264 HydrophobicContact CG-CD2 4.31Å; M242-F264 HydrophobicContact CG-CE2 3.9Å; M242-F264 HydrophobicContact CG-CZ 4.04Å; M242-F264 HydrophobicContact SD-CE2 4.14Å; M242-F264 HydrophobicContact SD-CZ 4.12Å
243E97.6Very high96.1Very high5 Ų531 Ų312%0.02315%0.154CC..Hα-helixtrans-73.3-34.7-176.6-62-62.4167.200111.7S132 K135 L136 Y139 D239 C240 A245 K246 I247S132-E243 VanDerWaalsContact CB-OE2 3.28Å; S132-E243 WeakPolarHBondContact CB-OE2 3.34Å; S132-E243 PolarHBondContact OG-OE2 3.39Å; K135-E243 HydrophobicContact CB-CB 4.47Å; K135-E243 HydrophobicContact CB-CG 3.7Å; L136-E243 HydrophobicContact CB-CB 4.05Å; Y139-E243 HydrophobicContact CD2-CG 4.48Å; D239-E243 WeakPolarHBondContact O-CG 3.49Å; D239-E243 PolarHBondContact O-N 3.07Å; C240-E243 PolarHBondContact O-N 3.39Å; E243-A245 PolarHBondContact O-N 2.97Å; E243-K246 PolarHBondContact O-N 3.37Å; E243-K246 IonicContact OE1-NZ 2.78Å; E243-K246 PolarHBondContact OE1-NZ 2.87Å; E243-K246 IonicContact OE2-NZ 3.03Å; E243-K246 PolarHBondContact OE2-NZ 3.44Å; E243-K246 VanDerWaalsContact OE2-NZ 3.17Å; E243-I247 VanDerWaalsContact O-CG1 3.31Å; E243-I247 WeakPolarHBondContact O-CG1 3.17Å; E243-I247 PolarHBondContact O-N 3.47Å
244A97.9Very high95.8Very high17 Ų1733.4 Ų33.414%0.1417%0.165CC..Hα-helixtrans-59.2-44.6171.600000112.3L136 C240 K246 I247 C248 L260L136-A244 HydrophobicContact CD1-CB 4.13Å; L136-A244 HydrophobicContact CD2-CB 4.3Å; C240-A244 WeakPolarHBondContact O-CB 3.03Å; C240-A244 PolarHBondContact O-N 2.69Å; A244-K246 VanDerWaalsContact C-N 3.31Å; A244-K246 PolarHBondContact O-N 2.95Å; A244-I247 PolarHBondContact O-N 3.04Å; A244-C248 PolarHBondContact O-N 3.25Å; A244-C248 VanDerWaalsContact O-N 3.12Å; A244-L260 HydrophobicContact CB-CD1 4.04Å; A244-L260 HydrophobicContact CB-CD2 4.43Å
245A96.7Very high95.7Very high5 Ų538.6 Ų38.64%0.04119%0.192CC..Hα-helixtrans-61.6-39.7176.300000111.9W241 M242 E243 C248 K249 L260 F261W241-A245 WeakPolarHBondContact O-CB 3.36Å; W241-A245 PolarHBondContact O-N 3.4Å; M242-A245 PolarHBondContact O-N 3.46Å; E243-A245 PolarHBondContact O-N 2.97Å; A245-C248 PolarHBondContact O-N 3.36Å; A245-K249 WeakPolarHBondContact O-CB 3.47Å; A245-K249 PolarHBondContact O-N 3.17Å; A245-L260 HydrophobicContact CB-CB 3.83Å; A245-F261 HydrophobicContact CB-CB 4.31Å
246K95.6Very high95.6Very high26 Ų2639.8 Ų39.811%0.11320%0.204CC..Hα-helixtrans-67.3-42.1178.9-68.8165.579.9-160.20112M242 E243 A244 C248 K249 Y250M242-K246 HydrophobicContact CG-CD 4.24Å; M242-K246 WeakPolarHBondContact O-CG 3.41Å; M242-K246 PolarHBondContact O-N 3.27Å; E243-K246 PolarHBondContact O-N 3.37Å; E243-K246 IonicContact OE1-NZ 2.78Å; E243-K246 PolarHBondContact OE1-NZ 2.87Å; E243-K246 IonicContact OE2-NZ 3.03Å; E243-K246 PolarHBondContact OE2-NZ 3.44Å; E243-K246 VanDerWaalsContact OE2-NZ 3.17Å; A244-K246 VanDerWaalsContact C-N 3.31Å; A244-K246 PolarHBondContact O-N 2.95Å; K246-C248 PolarHBondContact O-N 3.14Å; K246-K249 WeakPolarHBondContact O-CB 3.3Å; K246-K249 PolarHBondContact O-N 3.28Å; K246-K249 VanDerWaalsContact O-N 3.16Å; K246-Y250 HydrophobicContact CB-CE2 3.98Å; K246-Y250 WeakPolarHBondContact O-CD2 3.26Å; K246-Y250 WeakPolarHBondContact O-CE2 3.21Å; K246-Y250 VanDerWaalsContact O-CG 3.23Å; K246-Y250 PolarHBondContact O-N 3.32Å
247I96.9Very high95.5Very high17 Ų1739.9 Ų39.99%0.08721%0.205CC..Hα-helixtrans-55.6-52.7173.5-70.4162.6000110F129 E133 L136 E243 A244 K249 Y250 V251F129-I247 HydrophobicContact CD2-CG2 4.18Å; F129-I247 HydrophobicContact CE2-CB 4.43Å; F129-I247 HydrophobicContact CE2-CG2 3.55Å; F129-I247 HydrophobicContact CZ-CG2 4.25Å; E133-I247 HydrophobicContact CG-CD1 3.99Å; E133-I247 HydrophobicContact CG-CG1 4.17Å; L136-I247 HydrophobicContact CB-CD1 3.91Å; L136-I247 HydrophobicContact CD2-CD1 3.48Å; L136-I247 VanDerWaalsContact CD2-CD1 3.48Å; L136-I247 HydrophobicContact CG-CD1 4.32Å; E243-I247 VanDerWaalsContact O-CG1 3.31Å; E243-I247 WeakPolarHBondContact O-CG1 3.17Å; E243-I247 PolarHBondContact O-N 3.47Å; A244-I247 PolarHBondContact O-N 3.04Å; I247-K249 VanDerWaalsContact C-N 3.27Å; I247-K249 PolarHBondContact O-N 2.9Å; I247-Y250 PolarHBondContact O-N 3.39Å; I247-V251 WeakPolarHBondContact O-CG2 3.27Å; I247-V251 PolarHBondContact O-N 3.37Å
248C96.5Very high95.3Very high24 Ų2441 Ų4116%0.16221%0.209CC..Hα-helixtrans-58.9-37.4177.5-69.30000112.8A244 A245 K246 V251 N252 K253 A256 T257 L260A244-C248 PolarHBondContact O-N 3.25Å; A244-C248 VanDerWaalsContact O-N 3.12Å; A245-C248 PolarHBondContact O-N 3.36Å; K246-C248 PolarHBondContact O-N 3.14Å; C248-V251 WeakPolarHBondContact O-CG2 3.19Å; C248-V251 PolarHBondContact O-N 3.05Å; C248-N252 PolarHBondContact O-N 2.83Å; C248-K253 HydrophobicContact CB-CB 4.28Å; C248-K253 PolarHBondContact O-N 2.85Å; C248-A256 HydrophobicContact CB-CB 4.22Å; C248-T257 VanDerWaalsContact CB-OG1 3.31Å; C248-T257 WeakPolarHBondContact CB-OG1 3.32Å; C248-T257 PolarHBondContact O-OG1 2.95Å; C248-L260 HydrophobicContact CB-CD1 4.44Å; C248-L260 VanDerWaalsContact SG-CD1 3.55Å
249K94Very high95.3Very high24 Ų2444.7 Ų44.710%0.10423%0.232CC..Hα-helixtrans-62.1-47.6176.2-172.3-171.2-174.4177.70111.3A245 K246 I247 V251 N252 T257 L332 E341A245-K249 WeakPolarHBondContact O-CB 3.47Å; A245-K249 PolarHBondContact O-N 3.17Å; K246-K249 WeakPolarHBondContact O-CB 3.3Å; K246-K249 PolarHBondContact O-N 3.28Å; K246-K249 VanDerWaalsContact O-N 3.16Å; I247-K249 VanDerWaalsContact C-N 3.27Å; I247-K249 PolarHBondContact O-N 2.9Å; K249-V251 VanDerWaalsContact C-N 3.26Å; K249-V251 PolarHBondContact O-N 3.32Å; K249-N252 PolarHBondContact O-N 2.91Å; K249-T257 WeakPolarHBondContact CA-OG1 3.47Å; K249-T257 HydrophobicContact CB-CG2 3.83Å; K249-T257 HydrophobicContact CG-CG2 4.36Å; K249-T257 PolarHBondContact N-OG1 2.88Å; K249-L332 HydrophobicContact CD-CD2 3.66Å; K249-L332 HydrophobicContact CD-CG 4.39Å; K249-L332 HydrophobicContact CG-CD2 4.15Å; K249-E341 IonicContact NZ-OE2 2.94Å; K249-E341 PolarHBondContact NZ-OE2 3.49Å
250Y94.2Very high95.3Very high20 Ų2045.5 Ų45.58%0.07824%0.236CC..Hα-helixtrans-63.7-32.5-178.2-59.8-41.8000112.8L67 T125 K128 F129 K246 I247 N252L67-Y250 WeakPolarHBondContact CD2-O 3.46Å; T125-Y250 HydrophobicContact CG2-CD1 4.01Å; T125-Y250 HydrophobicContact CG2-CG 4.15Å; K128-Y250 HydrophobicContact CB-CE1 3.98Å; K128-Y250 HydrophobicContact CB-CE2 3.93Å; K128-Y250 HydrophobicContact CD-CE1 4.21Å; K128-Y250 WeakPolarHBondContact O-CE2 3.39Å; F129-Y250 VanDerWaalsContact CA-CD2 3.49Å; F129-Y250 HydrophobicContact CB-CD2 3.85Å; F129-Y250 HydrophobicContact CB-CG 4.35Å; F129-Y250 HydrophobicContact CD2-CD2 4.26Å; K246-Y250 HydrophobicContact CB-CE2 3.98Å; K246-Y250 WeakPolarHBondContact O-CD2 3.26Å; K246-Y250 WeakPolarHBondContact O-CE2 3.21Å; K246-Y250 VanDerWaalsContact O-CG 3.23Å; K246-Y250 PolarHBondContact O-N 3.32Å; I247-Y250 PolarHBondContact O-N 3.39Å; Y250-N252 VanDerWaalsContact C-N 3.29Å
251V94.8Very high95.3Very high24 Ų2446.2 Ų46.215%0.14524%0.238CC..THydrogen-bonded Turntrans-91.514.2175.3-58.60000113.4L65 L67 F129 I247 C248 K249 K253L65-V251 HydrophobicContact CB-CG1 3.87Å; L65-V251 HydrophobicContact CD1-CG1 3.8Å; L65-V251 HydrophobicContact CG-CG1 4.48Å; L67-V251 HydrophobicContact CD1-CG1 4.15Å; L67-V251 HydrophobicContact CD2-CG1 4.32Å; L67-V251 HydrophobicContact CG-CG1 4.23Å; F129-V251 HydrophobicContact CD2-CG1 3.99Å; F129-V251 HydrophobicContact CE2-CG1 3.58Å; F129-V251 HydrophobicContact CZ-CG1 4.47Å; I247-V251 WeakPolarHBondContact O-CG2 3.27Å; I247-V251 PolarHBondContact O-N 3.37Å; C248-V251 WeakPolarHBondContact O-CG2 3.19Å; C248-V251 PolarHBondContact O-N 3.05Å; K249-V251 VanDerWaalsContact C-N 3.26Å; K249-V251 PolarHBondContact O-N 3.32Å; V251-K253 VanDerWaalsContact C-N 3.28Å; V251-K253 HydrophobicContact CG2-CB 4.38Å; V251-K253 HydrophobicContact CG2-CG 3.79Å; V251-K253 PolarHBondContact O-N 2.88Å
252N91.8Very high95.2Very high131 Ų13145.3 Ų45.370%0.70124%0.244SC*.THydrogen-bonded Turntrans57.732.7175.6-54.9-68.6000114.5C248 K249 Y250 Q254C248-N252 PolarHBondContact O-N 2.83Å; K249-N252 PolarHBondContact O-N 2.91Å; Y250-N252 VanDerWaalsContact C-N 3.29Å; N252-Q254 PolarHBondContact O-N 3.43Å
253K93.8Very high95.3Very high129 Ų12946.2 Ų46.256%0.56125%0.249SC*.  trans-90.777.5173.5-65.1-67.8-176.3179.90109.6C248 V251 L255 A256 T257C248-K253 HydrophobicContact CB-CB 4.28Å; C248-K253 PolarHBondContact O-N 2.85Å; V251-K253 VanDerWaalsContact C-N 3.28Å; V251-K253 HydrophobicContact CG2-CB 4.38Å; V251-K253 HydrophobicContact CG2-CG 3.79Å; V251-K253 PolarHBondContact O-N 2.88Å; K253-L255 PolarHBondContact O-N 2.67Å; K253-A256 HydrophobicContact CB-CB 4.2Å; K253-A256 PolarHBondContact O-N 2.97Å; K253-T257 WeakPolarHBondContact O-CB 3.48Å; K253-T257 PolarHBondContact O-N 3.19Å; K253-T257 PolarHBondContact O-OG1 3.48Å
254Q91.2Very high95.3Very high60 Ų6046.4 Ų46.428%0.2825%0.25SC..Hα-helixtrans-58.6-49-169.3-171.255.732.700113.6N252 A256 T257 E258 H331N252-Q254 PolarHBondContact O-N 3.43Å; Q254-A256 PolarHBondContact O-N 2.92Å; Q254-T257 WeakPolarHBondContact O-CB 3.05Å; Q254-T257 PolarHBondContact O-N 3.35Å; Q254-T257 VanDerWaalsContact O-N 3.17Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.18Å; Q254-E258 PolarHBondContact NE2-OE1 2.92Å; Q254-E258 WeakPolarHBondContact O-CG 3.34Å; Q254-E258 PolarHBondContact O-N 3.22Å; Q254-H331 HydrophobicContact CG-CB 4.24Å
255L93.1Very high95.3Very high132 Ų13247 Ų4769%0.69125%0.251SS*.Hα-helixtrans-59.2-46.8179.6-179.664.7000112.2K253 T257 E258 V259K253-L255 PolarHBondContact O-N 2.67Å; L255-T257 VanDerWaalsContact C-N 3.31Å; L255-T257 PolarHBondContact O-N 3.39Å; L255-E258 PolarHBondContact O-N 3.4Å; L255-V259 WeakPolarHBondContact O-CG2 3.29Å; L255-V259 PolarHBondContact O-N 2.82Å
256A95.4Very high95.4Very high39 Ų3952.1 Ų52.132%0.32228%0.278SS..Hα-helixtrans-63.3-39.9177.700000111.5C248 K253 Q254 E258 V259 L260C248-A256 HydrophobicContact CB-CB 4.22Å; K253-A256 HydrophobicContact CB-CB 4.2Å; K253-A256 PolarHBondContact O-N 2.97Å; Q254-A256 PolarHBondContact O-N 2.92Å; A256-E258 PolarHBondContact O-N 2.87Å; A256-V259 PolarHBondContact O-N 3.36Å; A256-L260 WeakPolarHBondContact O-CB 3.46Å; A256-L260 VanDerWaalsContact O-CG 3.23Å; A256-L260 WeakPolarHBondContact O-CG 3.18Å; A256-L260 PolarHBondContact O-N 3.29Å
257T95Very high95.5Very high1 Ų152.2 Ų52.21%0.00628%0.281CS..Hα-helixtrans-59.1-46.1176-55.90000111.4C248 K249 K253 Q254 L255 F261 L332C248-T257 VanDerWaalsContact CB-OG1 3.31Å; C248-T257 WeakPolarHBondContact CB-OG1 3.32Å; C248-T257 PolarHBondContact O-OG1 2.95Å; K249-T257 WeakPolarHBondContact CA-OG1 3.47Å; K249-T257 HydrophobicContact CB-CG2 3.83Å; K249-T257 HydrophobicContact CG-CG2 4.36Å; K249-T257 PolarHBondContact N-OG1 2.88Å; K253-T257 WeakPolarHBondContact O-CB 3.48Å; K253-T257 PolarHBondContact O-N 3.19Å; K253-T257 PolarHBondContact O-OG1 3.48Å; Q254-T257 WeakPolarHBondContact O-CB 3.05Å; Q254-T257 PolarHBondContact O-N 3.35Å; Q254-T257 VanDerWaalsContact O-N 3.17Å; L255-T257 VanDerWaalsContact C-N 3.31Å; L255-T257 PolarHBondContact O-N 3.39Å; T257-F261 WeakPolarHBondContact O-CB 3.36Å; T257-F261 PolarHBondContact O-N 3.37Å; T257-L332 HydrophobicContact CG2-CD2 3.52Å
258E92.9Very high95.6Very high59 Ų5951.9 Ų51.928%0.27628%0.278SS..Hα-helixtrans-67-42.7-179.6-73.1170.8-172.100112.6Q254 L255 A256 S262Q254-E258 WeakPolarHBondContact CG-OE1 3.18Å; Q254-E258 PolarHBondContact NE2-OE1 2.92Å; Q254-E258 WeakPolarHBondContact O-CG 3.34Å; Q254-E258 PolarHBondContact O-N 3.22Å; L255-E258 PolarHBondContact O-N 3.4Å; A256-E258 PolarHBondContact O-N 2.87Å; E258-S262 WeakPolarHBondContact O-CB 3.46Å; E258-S262 PolarHBondContact O-N 3.22Å; E258-S262 PolarHBondContact O-OG 3.43Å
259V96.2Very high95.7Very high78 Ų7853.6 Ų53.647%0.47329%0.285SS..Hα-helixtrans-63-51.1176.5172.30000110.5L255 A256 F261 S262 I263L255-V259 WeakPolarHBondContact O-CG2 3.29Å; L255-V259 PolarHBondContact O-N 2.82Å; A256-V259 PolarHBondContact O-N 3.36Å; V259-F261 PolarHBondContact O-N 2.77Å; V259-S262 WeakPolarHBondContact O-CB 3.22Å; V259-S262 PolarHBondContact O-N 2.78Å; V259-I263 HydrophobicContact CG1-CD1 4.08Å; V259-I263 WeakPolarHBondContact O-CG1 3.45Å; V259-I263 PolarHBondContact O-N 2.9Å
260L97.3Very high95.9Very high32 Ų3256.8 Ų56.817%0.16831%0.306CS..Hα-helixtrans-65.1-39.4-179.8-68.5169.2000112W241 A244 A245 C248 A256 S262 I263 F264W241-L260 HydrophobicContact CE3-CD2 3.73Å; W241-L260 HydrophobicContact CZ3-CD2 3.8Å; A244-L260 HydrophobicContact CB-CD1 4.04Å; A244-L260 HydrophobicContact CB-CD2 4.43Å; A245-L260 HydrophobicContact CB-CB 3.83Å; C248-L260 HydrophobicContact CB-CD1 4.44Å; C248-L260 VanDerWaalsContact SG-CD1 3.55Å; A256-L260 WeakPolarHBondContact O-CB 3.46Å; A256-L260 VanDerWaalsContact O-CG 3.23Å; A256-L260 WeakPolarHBondContact O-CG 3.18Å; A256-L260 PolarHBondContact O-N 3.29Å; L260-S262 VanDerWaalsContact C-N 3.32Å; L260-S262 PolarHBondContact O-N 3.16Å; L260-I263 PolarHBondContact O-N 3.36Å; L260-F264 WeakPolarHBondContact O-CB 3.47Å; L260-F264 PolarHBondContact O-N 3.46Å
261F96.2Very high96Very high27 Ų2756.4 Ų56.412%0.11831%0.306CS..Hα-helixtrans-62.7-39.8174.2-179.3-105.4000111.5A245 T257 V259 F264 V265 I319 I322 A323A245-F261 HydrophobicContact CB-CB 4.31Å; T257-F261 WeakPolarHBondContact O-CB 3.36Å; T257-F261 PolarHBondContact O-N 3.37Å; V259-F261 PolarHBondContact O-N 2.77Å; F261-F264 AromaticContact CD2-CD1 3.91Å; F261-F264 HydrophobicContact CD2-CD1 3.91Å; F261-F264 HydrophobicContact CD2-CE1 4.45Å; F261-F264 HydrophobicContact CE2-CD1 4Å; F261-F264 HydrophobicContact CE2-CE1 4.14Å; F261-F264 WeakPolarHBondContact O-CB 3.37Å; F261-F264 PolarHBondContact O-N 2.84Å; F261-V265 HydrophobicContact CD1-CG2 4.25Å; F261-V265 HydrophobicContact CE1-CG2 3.87Å; F261-V265 HydrophobicContact CE2-CG2 4.27Å; F261-V265 HydrophobicContact CZ-CG2 3.88Å; F261-V265 VanDerWaalsContact O-CG2 3.27Å; F261-V265 WeakPolarHBondContact O-CG2 3.47Å; F261-V265 PolarHBondContact O-N 3.11Å; F261-I319 HydrophobicContact CZ-CG2 4.2Å; F261-I322 HydrophobicContact CE1-CG2 4.42Å; F261-I322 HydrophobicContact CE2-CG2 4.12Å; F261-I322 HydrophobicContact CZ-CB 4.22Å; F261-I322 HydrophobicContact CZ-CG2 3.73Å; F261-A323 HydrophobicContact CE1-CB 4.23Å
262S96Very high96.2Very high64 Ų6455.6 Ų55.645%0.44830%0.3SS..Hα-helixtrans-64.8-43.1176.7-58.70000111.9E258 V259 L260 V265 L266E258-S262 WeakPolarHBondContact O-CB 3.46Å; E258-S262 PolarHBondContact O-N 3.22Å; E258-S262 PolarHBondContact O-OG 3.43Å; V259-S262 WeakPolarHBondContact O-CB 3.22Å; V259-S262 PolarHBondContact O-N 2.78Å; L260-S262 VanDerWaalsContact C-N 3.32Å; L260-S262 PolarHBondContact O-N 3.16Å; S262-V265 PolarHBondContact O-N 2.88Å; S262-L266 WeakPolarHBondContact O-CG 3.46Å; S262-L266 PolarHBondContact O-N 3.34Å; S262-L266 VanDerWaalsContact O-N 3.14Å
263I98.1Very high96.5Very high57 Ų5751 Ų5129%0.29228%0.276SS..Hα-helixtrans-61.2-46.7173.9-64.5166.5000110.2W241 V259 L260 V265 L266 V267W241-I263 HydrophobicContact CD2-CB 4.4Å; W241-I263 HydrophobicContact CD2-CG2 3.5Å; W241-I263 VanDerWaalsContact CD2-CG2 3.5Å; W241-I263 HydrophobicContact CE3-CB 4.27Å; W241-I263 HydrophobicContact CE3-CD1 4.39Å; W241-I263 HydrophobicContact CE3-CG2 3.71Å; W241-I263 HydrophobicContact CG-CG2 3.9Å; W241-I263 HydrophobicContact CH2-CG2 4.31Å; W241-I263 HydrophobicContact CZ2-CG2 4.12Å; W241-I263 HydrophobicContact CZ3-CD1 4.1Å; W241-I263 HydrophobicContact CZ3-CG2 4.11Å; V259-I263 HydrophobicContact CG1-CD1 4.08Å; V259-I263 WeakPolarHBondContact O-CG1 3.45Å; V259-I263 PolarHBondContact O-N 2.9Å; L260-I263 PolarHBondContact O-N 3.36Å; I263-V265 PolarHBondContact O-N 3.16Å; I263-L266 PolarHBondContact O-N 3.47Å; I263-V267 HydrophobicContact CG2-CG2 4.16Å; I263-V267 WeakPolarHBondContact O-CG2 3.25Å; I263-V267 PolarHBondContact O-N 2.94Å
264F97.9Very high96.7Very high8 Ų847.4 Ų47.44%0.03527%0.265CS..Hα-helixtrans-53.8-49.1175.9159-109.3000112.3A238 W241 M242 L260 F261 L266 V267 W268 I319A238-F264 HydrophobicContact CB-CD2 4.49Å; A238-F264 WeakPolarHBondContact O-CD2 3.45Å; W241-F264 HydrophobicContact CB-CB 3.74Å; M242-F264 HydrophobicContact CB-CD2 3.62Å; M242-F264 HydrophobicContact CB-CE2 3.57Å; M242-F264 HydrophobicContact CB-CG 4.27Å; M242-F264 HydrophobicContact CB-CZ 4.22Å; M242-F264 HydrophobicContact CG-CD2 4.31Å; M242-F264 HydrophobicContact CG-CE2 3.9Å; M242-F264 HydrophobicContact CG-CZ 4.04Å; M242-F264 HydrophobicContact SD-CE2 4.14Å; M242-F264 HydrophobicContact SD-CZ 4.12Å; L260-F264 WeakPolarHBondContact O-CB 3.47Å; L260-F264 PolarHBondContact O-N 3.46Å; F261-F264 AromaticContact CD2-CD1 3.91Å; F261-F264 HydrophobicContact CD2-CD1 3.91Å; F261-F264 HydrophobicContact CD2-CE1 4.45Å; F261-F264 HydrophobicContact CE2-CD1 4Å; F261-F264 HydrophobicContact CE2-CE1 4.14Å; F261-F264 WeakPolarHBondContact O-CB 3.37Å; F261-F264 PolarHBondContact O-N 2.84Å; F264-L266 VanDerWaalsContact C-N 3.33Å; F264-L266 PolarHBondContact O-N 2.92Å; F264-V267 PolarHBondContact O-N 2.89Å; F264-W268 HydrophobicContact CE2-CB 4.48Å; F264-W268 HydrophobicContact CE2-CD2 4.32Å; F264-W268 AromaticContact CE2-CE3 3.49Å; F264-W268 HydrophobicContact CE2-CE3 3.49Å; F264-W268 VanDerWaalsContact CE2-CE3 3.49Å; F264-W268 HydrophobicContact CE2-CZ3 4.11Å; F264-W268 HydrophobicContact CZ-CD2 4.32Å; F264-W268 AromaticContact CZ-CE3 3.75Å; F264-W268 HydrophobicContact CZ-CE3 3.75Å; F264-W268 HydrophobicContact CZ-CZ3 4.26Å; F264-W268 VanDerWaalsContact O-CB 3.3Å; F264-W268 WeakPolarHBondContact O-CB 3Å; F264-W268 PolarHBondContact O-N 3.23Å; F264-I319 HydrophobicContact CE1-CD1 3.74Å; F264-I319 HydrophobicContact CE1-CG1 3.96Å; F264-I319 HydrophobicContact CE1-CG2 4.18Å; F264-I319 HydrophobicContact CZ-CD1 3.52Å; F264-I319 HydrophobicContact CZ-CG1 4.14Å
265V97.7Very high97Very high29 Ų2947.2 Ų47.218%0.17626%0.262CS..Hα-helixtrans-59.5-45.2179.6172.30000111F261 S262 I263 W268 I269 I319F261-V265 HydrophobicContact CD1-CG2 4.25Å; F261-V265 HydrophobicContact CE1-CG2 3.87Å; F261-V265 HydrophobicContact CE2-CG2 4.27Å; F261-V265 HydrophobicContact CZ-CG2 3.88Å; F261-V265 VanDerWaalsContact O-CG2 3.27Å; F261-V265 WeakPolarHBondContact O-CG2 3.47Å; F261-V265 PolarHBondContact O-N 3.11Å; S262-V265 PolarHBondContact O-N 2.88Å; I263-V265 PolarHBondContact O-N 3.16Å; V265-W268 PolarHBondContact O-N 3.28Å; V265-I269 HydrophobicContact CG1-CD1 4Å; V265-I269 WeakPolarHBondContact O-CG1 3.1Å; V265-I269 PolarHBondContact O-N 3.18Å; V265-I269 VanDerWaalsContact O-N 3.09Å; V265-I319 HydrophobicContact CG2-CG2 3.67Å
266L98.2Very high97.3Very high114 Ų11441 Ų4160%0.59723%0.229SC*.Hα-helixtrans-62.2-49.8178.6-70.6166.3000111.4S262 I263 F264 W268 I269 V270S262-L266 WeakPolarHBondContact O-CG 3.46Å; S262-L266 PolarHBondContact O-N 3.34Å; S262-L266 VanDerWaalsContact O-N 3.14Å; I263-L266 PolarHBondContact O-N 3.47Å; F264-L266 VanDerWaalsContact C-N 3.33Å; F264-L266 PolarHBondContact O-N 2.92Å; L266-W268 VanDerWaalsContact C-N 3.32Å; L266-W268 PolarHBondContact O-N 3.2Å; L266-I269 PolarHBondContact O-N 3.4Å; L266-V270 WeakPolarHBondContact O-CG2 3.26Å; L266-V270 PolarHBondContact O-N 3.43Å; L266-V270 VanDerWaalsContact O-N 3.09Å
267V98.3Very high97.4Very high28 Ų2840.4 Ų40.417%0.1722%0.222CC..Hα-helixtrans-61.4-41.7178.8176.50000110.6I237 A238 I263 F264 I269 V270 T271I237-V267 HydrophobicContact CG1-CG1 4.18Å; I237-V267 HydrophobicContact CG2-CG1 3.99Å; A238-V267 HydrophobicContact CB-CB 4.3Å; A238-V267 HydrophobicContact CB-CG1 3.64Å; I263-V267 HydrophobicContact CG2-CG2 4.16Å; I263-V267 WeakPolarHBondContact O-CG2 3.25Å; I263-V267 PolarHBondContact O-N 2.94Å; F264-V267 PolarHBondContact O-N 2.89Å; V267-I269 PolarHBondContact O-N 2.82Å; V267-V270 PolarHBondContact O-N 3.08Å; V267-T271 HydrophobicContact CG1-CG2 4.08Å; V267-T271 WeakPolarHBondContact O-CG2 3.49Å; V267-T271 PolarHBondContact O-N 3.11Å; V267-T271 PolarHBondContact O-OG1 2.97Å; V267-T271 VanDerWaalsContact O-OG1 3.09Å
268W98.4Very high97.4Very high9 Ų946.9 Ų46.93%0.03425%0.25CS..Hα-helixtrans-59.4-44.8177.2-174.8-77.2000112.6A238 F264 V265 L266 R272 W315 F316 I319A238-W268 HydrophobicContact CB-CE3 4.43Å; F264-W268 HydrophobicContact CE2-CB 4.48Å; F264-W268 HydrophobicContact CE2-CD2 4.32Å; F264-W268 AromaticContact CE2-CE3 3.49Å; F264-W268 HydrophobicContact CE2-CE3 3.49Å; F264-W268 VanDerWaalsContact CE2-CE3 3.49Å; F264-W268 HydrophobicContact CE2-CZ3 4.11Å; F264-W268 HydrophobicContact CZ-CD2 4.32Å; F264-W268 AromaticContact CZ-CE3 3.75Å; F264-W268 HydrophobicContact CZ-CE3 3.75Å; F264-W268 HydrophobicContact CZ-CZ3 4.26Å; F264-W268 VanDerWaalsContact O-CB 3.3Å; F264-W268 WeakPolarHBondContact O-CB 3Å; F264-W268 PolarHBondContact O-N 3.23Å; V265-W268 PolarHBondContact O-N 3.28Å; L266-W268 VanDerWaalsContact C-N 3.32Å; L266-W268 PolarHBondContact O-N 3.2Å; W268-R272 WeakPolarHBondContact O-CB 3.15Å; W268-R272 PolarHBondContact O-N 3.23Å; W268-W315 HydrophobicContact CH2-CB 4.14Å; W268-W315 HydrophobicContact CH2-CE3 4.3Å; W268-W315 HydrophobicContact CZ2-CB 3.79Å; W268-W315 HydrophobicContact CZ2-CE3 4.38Å; W268-F316 AromaticContact CD1-CD2 3.85Å; W268-I319 HydrophobicContact CD2-CD1 3.71Å; W268-I319 HydrophobicContact CE3-CD1 4.15Å; W268-I319 HydrophobicContact CG-CD1 4.03Å; W268-I319 HydrophobicContact CZ2-CD1 4.18Å
269I98.4Very high97.6Very high60 Ų6049.6 Ų49.631%0.30826%0.258SS..Iπ-helixtrans-62.7-45.3177.9-68.3165.2000110.4V265 L266 V267 L273 T274 F316V265-I269 HydrophobicContact CG1-CD1 4Å; V265-I269 WeakPolarHBondContact O-CG1 3.1Å; V265-I269 PolarHBondContact O-N 3.18Å; V265-I269 VanDerWaalsContact O-N 3.09Å; L266-I269 PolarHBondContact O-N 3.4Å; V267-I269 PolarHBondContact O-N 2.82Å; I269-L273 HydrophobicContact CG1-CD1 4.3Å; I269-L273 CarbonylContact O-C 3.58Å; I269-L273 WeakPolarHBondContact O-CB 3.1Å; I269-L273 PolarHBondContact O-N 3.49Å; I269-T274 WeakPolarHBondContact O-CB 3.39Å; I269-T274 PolarHBondContact O-N 2.63Å; I269-T274 PolarHBondContact O-OG1 2.87Å; I269-F316 HydrophobicContact CD1-CE2 3.94Å; I269-F316 HydrophobicContact CD1-CZ 4.15Å; I269-F316 HydrophobicContact CG1-CD2 4.43Å; I269-F316 HydrophobicContact CG1-CE2 3.57Å; I269-F316 HydrophobicContact CG1-CZ 4.04Å
270V98.2Very high97.6Very high92 Ų9245.9 Ų45.956%0.55824%0.236SC*.Iπ-helixtrans-65.5-49.4-179.2172.80000110.9L266 V267 T274 Y275L266-V270 WeakPolarHBondContact O-CG2 3.26Å; L266-V270 PolarHBondContact O-N 3.43Å; L266-V270 VanDerWaalsContact O-N 3.09Å; V267-V270 PolarHBondContact O-N 3.08Å; V270-T274 WeakPolarHBondContact O-CB 3.41Å; V270-Y275 WeakPolarHBondContact O-CB 3.24Å; V270-Y275 PolarHBondContact O-N 2.91Å
271T98Very high97.6Very high11 Ų1145.4 Ų45.47%0.06723%0.233CC..Iπ-helixtrans-80.1-44.6-172.763.60000113L234 I237 V267 F276L234-T271 HydrophobicContact CD2-CG2 4.19Å; L234-T271 WeakPolarHBondContact O-CB 3.47Å; L234-T271 PolarHBondContact O-OG1 2.72Å; I237-T271 HydrophobicContact CG2-CG2 3.81Å; V267-T271 HydrophobicContact CG1-CG2 4.08Å; V267-T271 WeakPolarHBondContact O-CG2 3.49Å; V267-T271 PolarHBondContact O-N 3.11Å; V267-T271 PolarHBondContact O-OG1 2.97Å; V267-T271 VanDerWaalsContact O-OG1 3.09Å; T271-F276 VanDerWaalsContact O-CB 3.25Å; T271-F276 WeakPolarHBondContact O-CB 3.29Å; T271-F276 PolarHBondContact O-N 2.85Å
272R98.1Very high97.5Very high8 Ų849 Ų493%0.0325%0.246CC..Iπ-helixtrans-101.5-26-168.6-70.4175.616894.8-15.7115.4H235 D239 W268 P277 Q309 H312H235-R272 PolarHBondContact O-NH1 2.97Å; H235-R272 PolarHBondContact O-NH2 3.09Å; H235-R272 VanDerWaalsContact O-NH2 3.08Å; D239-R272 IonicContact OD1-CZ 2.62Å; D239-R272 IonicContact OD1-NH1 3.12Å; D239-R272 IonicContact OD1-NH2 2.88Å; D239-R272 PolarHBondContact OD1-NH2 3.37Å; D239-R272 IonicContact OD2-NH2 3.77Å; D239-R272 PolarHBondContact OD2-NH2 2.94Å; W268-R272 WeakPolarHBondContact O-CB 3.15Å; W268-R272 PolarHBondContact O-N 3.23Å; R272-P277 WeakPolarHBondContact O-CD 3.24Å; R272-Q309 PolarHBondContact O-NE2 3.43Å; R272-Q309 PolarHBondContact O-OE1 2.93Å; R272-H312 HydrophobicContact CB-CB 4.33Å
273L98.2Very high97.3Very high35 Ų3546 Ų4618%0.18323%0.225CC..Iπ-helixtrans-104-19178.8-58.6-176.9000113.2I269 P277 F278 H312 I313 F316I269-L273 HydrophobicContact CG1-CD1 4.3Å; I269-L273 CarbonylContact O-C 3.58Å; I269-L273 WeakPolarHBondContact O-CB 3.1Å; I269-L273 PolarHBondContact O-N 3.49Å; L273-P277 WeakPolarHBondContact O-CG 3.25Å; L273-F278 WeakPolarHBondContact O-CE2 3.17Å; L273-H312 HydrophobicContact CD2-CB 4.42Å; L273-I313 HydrophobicContact CD2-CG1 4.35Å; L273-F316 HydrophobicContact CD1-CB 4.02Å; L273-F316 HydrophobicContact CD1-CD1 3.6Å; L273-F316 HydrophobicContact CD1-CD2 3.58Å; L273-F316 HydrophobicContact CD1-CE1 3.85Å; L273-F316 HydrophobicContact CD1-CE2 3.82Å; L273-F316 HydrophobicContact CD1-CG 3.45Å; L273-F316 VanDerWaalsContact CD1-CG 3.45Å; L273-F316 HydrophobicContact CD1-CZ 3.95Å; L273-F316 HydrophobicContact CD2-CB 4.43Å
274T98.1Very high97.1Very high53 Ų5343.4 Ų43.433%0.32521%0.211SC..Iπ-helixtrans-108.8-71-180-49.50000110I269 V270 P277 F278 W279I269-T274 WeakPolarHBondContact O-CB 3.39Å; I269-T274 PolarHBondContact O-N 2.63Å; I269-T274 PolarHBondContact O-OG1 2.87Å; V270-T274 WeakPolarHBondContact O-CB 3.41Å; T274-P277 WeakPolarHBondContact O-CD 3.4Å; T274-F278 WeakPolarHBondContact O-CB 3.34Å; T274-F278 WeakPolarHBondContact O-CD2 3.39Å; T274-F278 PolarHBondContact O-N 3.04Å; T274-W279 HydrophobicContact CG2-CH2 3.99Å; T274-W279 HydrophobicContact CG2-CZ3 3.56Å; T274-W279 WeakPolarHBondContact O-CZ3 3.46Å
275Y97.8Very high96.8Very high56 Ų5648.7 Ų48.722%0.2224%0.235CC..Iπ-helixtrans-64.5-49.1-172.6-164.7-86.9000113.1V230 L234 V270 W279 V280V230-Y275 HydrophobicContact CG1-CE1 4.27Å; L234-Y275 HydrophobicContact CD1-CD1 3.4Å; L234-Y275 VanDerWaalsContact CD1-CD1 3.4Å; L234-Y275 HydrophobicContact CD1-CE1 3.7Å; L234-Y275 HydrophobicContact CD2-CD1 3.73Å; L234-Y275 HydrophobicContact CD2-CE1 4.24Å; L234-Y275 HydrophobicContact CD2-CG 4.18Å; L234-Y275 HydrophobicContact CG-CD1 4.21Å; V270-Y275 WeakPolarHBondContact O-CB 3.24Å; V270-Y275 PolarHBondContact O-N 2.91Å; Y275-W279 VanDerWaalsContact CA-CE3 3.49Å; Y275-W279 HydrophobicContact CD1-CB 4.34Å; Y275-W279 HydrophobicContact CD2-CB 4.29Å; Y275-W279 HydrophobicContact CD2-CD2 4.17Å; Y275-W279 HydrophobicContact CD2-CE3 4.3Å; Y275-W279 HydrophobicContact CD2-CG 4.21Å; Y275-W279 HydrophobicContact CE1-CB 4.24Å; Y275-W279 HydrophobicContact CE2-CB 4.2Å; Y275-W279 HydrophobicContact CE2-CG 4.15Å; Y275-W279 HydrophobicContact CG-CB 4.4Å; Y275-W279 WeakPolarHBondContact O-CA 3.12Å; Y275-W279 WeakPolarHBondContact O-CB 3.26Å; Y275-W279 PolarHBondContact O-N 3Å; Y275-V280 HydrophobicContact CD1-CG2 3.74Å; Y275-V280 HydrophobicContact CE1-CG2 3.64Å; Y275-V280 PolarHBondContact O-N 2.7Å
276F98Very high96.4Very high0 Ų052.6 Ų52.60%025%0.249CC..Iπ-helixtrans-57.6-53.7-177.4-175.5-106.4000114.1V231 H235 T271 V280 I281 L305 L308 Q309 H312V231-F276 HydrophobicContact CG1-CE2 4.09Å; V231-F276 HydrophobicContact CG2-CD2 4.41Å; V231-F276 HydrophobicContact CG2-CE2 3.98Å; H235-F276 AromaticContact CE1-CD2 3.9Å; H235-F276 AromaticContact CE1-CE2 3.95Å; T271-F276 VanDerWaalsContact O-CB 3.25Å; T271-F276 WeakPolarHBondContact O-CB 3.29Å; T271-F276 PolarHBondContact O-N 2.85Å; F276-V280 HydrophobicContact CD2-CB 4.17Å; F276-V280 HydrophobicContact CD2-CG1 4.3Å; F276-V280 HydrophobicContact CD2-CG2 4.46Å; F276-V280 HydrophobicContact CE2-CG1 4.4Å; F276-V280 WeakPolarHBondContact O-CA 3.4Å; F276-V280 VanDerWaalsContact O-CB 3.29Å; F276-V280 WeakPolarHBondContact O-CB 3.41Å; F276-V280 PolarHBondContact O-N 3.43Å; F276-I281 HydrophobicContact CD1-CD1 4.08Å; F276-I281 HydrophobicContact CD1-CG1 4.45Å; F276-I281 HydrophobicContact CE1-CD1 3.67Å; F276-I281 HydrophobicContact CE1-CG1 4.14Å; F276-I281 HydrophobicContact CZ-CD1 4.22Å; F276-I281 HydrophobicContact CZ-CG1 4.28Å; F276-I281 PolarHBondContact O-N 3.31Å; F276-L305 HydrophobicContact CE2-CD2 4.11Å; F276-L305 HydrophobicContact CZ-CD2 3.93Å; F276-L308 HydrophobicContact CE1-CB 4.49Å; F276-L308 HydrophobicContact CE1-CG 4.44Å; F276-L308 HydrophobicContact CE2-CD2 4.35Å; F276-L308 HydrophobicContact CZ-CB 4.33Å; F276-L308 HydrophobicContact CZ-CD2 3.83Å; F276-L308 HydrophobicContact CZ-CG 4.22Å; F276-Q309 HydrophobicContact CE1-CB 4.11Å; F276-H312 AromaticContact CD1-CE1 3.91Å; F276-H312 AromaticContact CD1-ND1 3.69Å; F276-H312 AromaticContact CE1-CE1 3.91Å; F276-H312 AromaticContact CE1-ND1 3.87Å
277P97.5Very high95.8Very high28 Ų2849.8 Ų49.818%0.18223%0.232CC..Iπ-helixtrans-71.6-46.4179.622.8-29.3000113.6R272 L273 T274 W282 Q309R272-P277 WeakPolarHBondContact O-CD 3.24Å; L273-P277 WeakPolarHBondContact O-CG 3.25Å; T274-P277 WeakPolarHBondContact O-CD 3.4Å; P277-W282 PolarHBondContact O-N 3.39Å; P277-Q309 VanDerWaalsContact CB-OE1 3.25Å
278F96.9Very high95.1Very high137 Ų13748.6 Ų48.660%0.60123%0.225SC*.Iπ-helixtrans-84.3-19.6-168.7-60-65.8000113.9L273 T274 W282L273-F278 WeakPolarHBondContact O-CE2 3.17Å; T274-F278 WeakPolarHBondContact O-CB 3.34Å; T274-F278 WeakPolarHBondContact O-CD2 3.39Å; T274-F278 PolarHBondContact O-N 3.04Å; F278-W282 WeakPolarHBondContact O-CB 3.09Å
279W96.3Very high94.4Very high115 Ų11551 Ų5144%0.43624%0.237SC..Iπ-helixtrans-114.1-54176.3-71.4-98.8000111.8I159 T274 Y275 A283I159-W279 HydrophobicContact CG2-CB 4.05Å; T274-W279 HydrophobicContact CG2-CH2 3.99Å; T274-W279 HydrophobicContact CG2-CZ3 3.56Å; T274-W279 WeakPolarHBondContact O-CZ3 3.46Å; Y275-W279 VanDerWaalsContact CA-CE3 3.49Å; Y275-W279 HydrophobicContact CD1-CB 4.34Å; Y275-W279 HydrophobicContact CD2-CB 4.29Å; Y275-W279 HydrophobicContact CD2-CD2 4.17Å; Y275-W279 HydrophobicContact CD2-CE3 4.3Å; Y275-W279 HydrophobicContact CD2-CG 4.21Å; Y275-W279 HydrophobicContact CE1-CB 4.24Å; Y275-W279 HydrophobicContact CE2-CB 4.2Å; Y275-W279 HydrophobicContact CE2-CG 4.15Å; Y275-W279 HydrophobicContact CG-CB 4.4Å; Y275-W279 WeakPolarHBondContact O-CA 3.12Å; Y275-W279 WeakPolarHBondContact O-CB 3.26Å; Y275-W279 PolarHBondContact O-N 3Å; W279-A283 WeakPolarHBondContact O-CB 3.33Å; W279-A283 PolarHBondContact O-N 2.93Å
280V96.6Very high93.6Very high0 Ų057.1 Ų57.10%026%0.262CS..Iπ-helixtrans-71.6-55.3-173.4-178.70000112.4I159 V227 V231 L234 Y275 F276 W282 A283 T284I159-V280 HydrophobicContact CD1-CG2 4.45Å; I159-V280 HydrophobicContact CG1-CG2 4.31Å; V227-V280 HydrophobicContact CG2-CG1 3.75Å; V231-V280 HydrophobicContact CG2-CG1 3.64Å; L234-V280 HydrophobicContact CD1-CG2 3.81Å; Y275-V280 HydrophobicContact CD1-CG2 3.74Å; Y275-V280 HydrophobicContact CE1-CG2 3.64Å; Y275-V280 PolarHBondContact O-N 2.7Å; F276-V280 HydrophobicContact CD2-CB 4.17Å; F276-V280 HydrophobicContact CD2-CG1 4.3Å; F276-V280 HydrophobicContact CD2-CG2 4.46Å; F276-V280 HydrophobicContact CE2-CG1 4.4Å; F276-V280 WeakPolarHBondContact O-CA 3.4Å; F276-V280 VanDerWaalsContact O-CB 3.29Å; F276-V280 WeakPolarHBondContact O-CB 3.41Å; F276-V280 PolarHBondContact O-N 3.43Å; V280-W282 VanDerWaalsContact C-N 3.35Å; V280-A283 PolarHBondContact O-N 3.39Å; V280-T284 WeakPolarHBondContact O-CB 3.41Å; V280-T284 PolarHBondContact O-N 3.44Å; V280-T284 PolarHBondContact O-OG1 3.36Å
281I96.1Very high92.8Very high22 Ų2256.3 Ų56.311%0.11327%0.265CS..Iπ-helixtrans-63.9-45.2178.6-65-178.9000109.7F276 A283 T284 F285 L305 L306 Q309F276-I281 HydrophobicContact CD1-CD1 4.08Å; F276-I281 HydrophobicContact CD1-CG1 4.45Å; F276-I281 HydrophobicContact CE1-CD1 3.67Å; F276-I281 HydrophobicContact CE1-CG1 4.14Å; F276-I281 HydrophobicContact CZ-CD1 4.22Å; F276-I281 HydrophobicContact CZ-CG1 4.28Å; F276-I281 PolarHBondContact O-N 3.31Å; I281-A283 PolarHBondContact O-N 2.83Å; I281-T284 PolarHBondContact O-N 2.72Å; I281-F285 WeakPolarHBondContact O-CB 3.46Å; I281-F285 PolarHBondContact O-N 3.03Å; I281-L305 HydrophobicContact CG1-CB 4.41Å; I281-L306 HydrophobicContact CD1-CD2 4.47Å; I281-L306 HydrophobicContact CG2-CD2 4.19Å; I281-Q309 HydrophobicContact CD1-CB 3.84Å; I281-Q309 HydrophobicContact CD1-CG 4.27Å
282W94.4Very high92.1Very high104 Ų10457.3 Ų57.339%0.39427%0.27SS..Hα-helixtrans-56.9-47.3176.3173.680000112.9R160 P277 F278 V280 F285 K286 F287R160-W282 HydrophobicContact CG-CZ3 4.49Å; P277-W282 PolarHBondContact O-N 3.39Å; F278-W282 WeakPolarHBondContact O-CB 3.09Å; V280-W282 VanDerWaalsContact C-N 3.35Å; W282-F285 PolarHBondContact O-N 3.23Å; W282-K286 HydrophobicContact CH2-CD 4.11Å; W282-K286 HydrophobicContact CZ2-CD 3.4Å; W282-K286 VanDerWaalsContact CZ2-CD 3.4Å; W282-K286 VanDerWaalsContact O-CB 3.26Å; W282-K286 WeakPolarHBondContact O-CB 3.37Å; W282-K286 PolarHBondContact O-N 2.97Å; W282-F287 HydrophobicContact CH2-CE2 4.27Å; W282-F287 HydrophobicContact CZ3-CE2 4.12Å
283A92.9Very high91.4Very high0 Ų058 Ų580%028%0.28CS..Hα-helixtrans-65.3-43.8179.300000111.3I159 W279 V280 I281 F285 K286 F287I159-A283 HydrophobicContact CG1-CB 4.24Å; I159-A283 HydrophobicContact CG2-CB 4.11Å; W279-A283 WeakPolarHBondContact O-CB 3.33Å; W279-A283 PolarHBondContact O-N 2.93Å; V280-A283 PolarHBondContact O-N 3.39Å; I281-A283 PolarHBondContact O-N 2.83Å; A283-F285 VanDerWaalsContact C-N 3.29Å; A283-F285 PolarHBondContact O-N 3.41Å; A283-K286 PolarHBondContact O-N 3.07Å; A283-F287 HydrophobicContact CB-CD2 4.08Å; A283-F287 HydrophobicContact CB-CE2 4.41Å; A283-F287 WeakPolarHBondContact O-CB 3.41Å; A283-F287 WeakPolarHBondContact O-CD2 3.22Å; A283-F287 PolarHBondContact O-N 2.76Å
284T93.3Very high91Very high2 Ų260.4 Ų60.41%0.01230%0.297CS..Hα-helixtrans-61.2-39177.2-53.50000111.5V280 I281 V288 Y298 M301 V302 L305V280-T284 WeakPolarHBondContact O-CB 3.41Å; V280-T284 PolarHBondContact O-N 3.44Å; V280-T284 PolarHBondContact O-OG1 3.36Å; I281-T284 PolarHBondContact O-N 2.72Å; T284-V288 VanDerWaalsContact O-CB 3.26Å; T284-V288 WeakPolarHBondContact O-CB 3.16Å; T284-V288 VanDerWaalsContact O-CG2 3.29Å; T284-V288 WeakPolarHBondContact O-CG2 3.21Å; T284-Y298 HydrophobicContact CG2-CE2 4.13Å; T284-Y298 PolarHBondContact O-OH 2.88Å; T284-M301 HydrophobicContact CG2-CE 4.35Å; T284-V302 HydrophobicContact CG2-CG2 4.25Å; T284-L305 HydrophobicContact CG2-CD1 3.97Å
285F91Very high90.7Very high119 Ų11958.3 Ų58.352%0.52228%0.284SS..Hα-helixtrans-72.1-53.5177.1-169.6-99.9000111.4I281 W282 A283 M289 Y298I281-F285 WeakPolarHBondContact O-CB 3.46Å; I281-F285 PolarHBondContact O-N 3.03Å; W282-F285 PolarHBondContact O-N 3.23Å; A283-F285 VanDerWaalsContact C-N 3.29Å; A283-F285 PolarHBondContact O-N 3.41Å; F285-M289 HydrophobicContact CD2-CG 4.34Å; F285-M289 HydrophobicContact CE2-CG 4.33Å; F285-M289 WeakPolarHBondContact O-CB 3.24Å; F285-M289 VanDerWaalsContact O-CG 3.24Å; F285-M289 WeakPolarHBondContact O-CG 3.26Å; F285-M289 PolarHBondContact O-N 2.62Å; F285-Y298 WeakPolarHBondContact CA-OH 3.42Å
286K89Confident90.5Very high111 Ų11158.2 Ų58.248%0.48329%0.29SS..Hα-helixtrans-68.1-50.7-172.1-173.4-178.6179.1-177.30112.6W282 A283 F290W282-K286 HydrophobicContact CH2-CD 4.11Å; W282-K286 HydrophobicContact CZ2-CD 3.4Å; W282-K286 VanDerWaalsContact CZ2-CD 3.4Å; W282-K286 VanDerWaalsContact O-CB 3.26Å; W282-K286 WeakPolarHBondContact O-CB 3.37Å; W282-K286 PolarHBondContact O-N 2.97Å; A283-K286 PolarHBondContact O-N 3.07Å; K286-F290 WeakPolarHBondContact O-CB 3.45Å; K286-F290 PolarHBondContact O-N 3.28Å
287F86.6Confident90.3Very high56 Ų5658.3 Ų58.325%0.24629%0.291CS..Hα-helixtrans-77.4-41.7-172.3-71.6-85.8000112R160 M163 W282 A283 A291R160-F287 HydrophobicContact CB-CE2 4.06Å; R160-F287 HydrophobicContact CB-CZ 3.93Å; R160-F287 HydrophobicContact CG-CE2 3.69Å; R160-F287 HydrophobicContact CG-CZ 3.75Å; M163-F287 HydrophobicContact CB-CB 3.63Å; M163-F287 HydrophobicContact CB-CG 4.27Å; M163-F287 HydrophobicContact CG-CB 3.97Å; W282-F287 HydrophobicContact CH2-CE2 4.27Å; W282-F287 HydrophobicContact CZ3-CE2 4.12Å; A283-F287 HydrophobicContact CB-CD2 4.08Å; A283-F287 HydrophobicContact CB-CE2 4.41Å; A283-F287 WeakPolarHBondContact O-CB 3.41Å; A283-F287 WeakPolarHBondContact O-CD2 3.22Å; A283-F287 PolarHBondContact O-N 2.76Å; F287-A291 WeakPolarHBondContact O-CB 3.18Å; F287-A291 PolarHBondContact O-N 3.31Å
288V84Confident90Very high2 Ų257.1 Ų57.11%0.01228%0.283CS..Hα-helixtrans-72.7-46.1-178.3-173.60000111.6M163 Y224 T284 F290 A291 N292 Y298M163-V288 HydrophobicContact CG-CG2 4.25Å; M163-V288 HydrophobicContact SD-CG2 3.24Å; M163-V288 WeakPolarHBondContact SD-CG2 3.36Å; Y224-V288 HydrophobicContact CE1-CG1 4.33Å; Y224-V288 HydrophobicContact CE1-CG2 3.94Å; Y224-V288 WeakPolarHBondContact OH-CG1 3.49Å; T284-V288 VanDerWaalsContact O-CB 3.26Å; T284-V288 WeakPolarHBondContact O-CB 3.16Å; T284-V288 VanDerWaalsContact O-CG2 3.29Å; T284-V288 WeakPolarHBondContact O-CG2 3.21Å; V288-F290 VanDerWaalsContact C-N 3.28Å; V288-F290 PolarHBondContact O-N 2.76Å; V288-A291 PolarHBondContact O-N 2.92Å; V288-N292 HydrophobicContact CG1-CB 4.4Å; V288-N292 WeakPolarHBondContact O-CB 3.48Å; V288-N292 PolarHBondContact O-N 3.33Å; V288-Y298 HydrophobicContact CB-CD2 4.14Å; V288-Y298 HydrophobicContact CB-CE2 3.4Å; V288-Y298 VanDerWaalsContact CB-CE2 3.4Å; V288-Y298 HydrophobicContact CG1-CD2 3.45Å; V288-Y298 VanDerWaalsContact CG1-CD2 3.45Å; V288-Y298 HydrophobicContact CG1-CE2 3.25Å; V288-Y298 HydrophobicContact CG1-CG 4.18Å; V288-Y298 HydrophobicContact CG2-CE2 3.95Å
289M83.2Confident89.9Confident60 Ų6055 Ų5530%0.29628%0.277SS..Hα-helixtrans-60.9-40.7177.8-74-69.8-71.300111.7F285 G293 P294 Y298F285-M289 HydrophobicContact CD2-CG 4.34Å; F285-M289 HydrophobicContact CE2-CG 4.33Å; F285-M289 WeakPolarHBondContact O-CB 3.24Å; F285-M289 VanDerWaalsContact O-CG 3.24Å; F285-M289 WeakPolarHBondContact O-CG 3.26Å; F285-M289 PolarHBondContact O-N 2.62Å; M289-G293 WeakPolarHBondContact O-CA 3.25Å; M289-G293 PolarHBondContact O-N 3.4Å; M289-P294 HydrophobicContact CE-CB 4.01Å; M289-P294 HydrophobicContact CE-CG 4.23Å; M289-P294 HydrophobicContact SD-CB 3.95Å; M289-Y298 HydrophobicContact CG-CE1 3.85Å; M289-Y298 WeakPolarHBondContact CG-OH 3.45Å; M289-Y298 HydrophobicContact SD-CD1 4.26Å; M289-Y298 HydrophobicContact SD-CE1 3.45Å; M289-Y298 WeakPolarHBondContact SD-CE1 3.28Å
290F81.6Confident89.8Confident189 Ų18952.3 Ų52.383%0.82927%0.271SS*.Hα-helixtrans-70-42.3-179.3-177.3-98.6000112.3K286 V288K286-F290 WeakPolarHBondContact O-CB 3.45Å; K286-F290 PolarHBondContact O-N 3.28Å; V288-F290 VanDerWaalsContact C-N 3.28Å; V288-F290 PolarHBondContact O-N 2.76Å
291A82.2Confident89.8Confident74 Ų7452.6 Ų52.661%0.61227%0.272SS*.Hα-helixtrans-77-40.3-176.900000113.1F287 V288F287-A291 WeakPolarHBondContact O-CB 3.18Å; F287-A291 PolarHBondContact O-N 3.31Å; V288-A291 PolarHBondContact O-N 2.92Å
292N82Confident89.7Confident32 Ų3252.4 Ų52.417%0.17127%0.272CS..Hα-helixtrans-117.9-14.5-164.5-63.6-23000113.9P13 P14 Y166 V288P13-N292 HydrophobicContact CB-CB 3.73Å; P13-N292 HydrophobicContact CG-CB 4.36Å; P14-N292 WeakPolarHBondContact CD-O 3.37Å; Y166-N292 WeakPolarHBondContact CD1-ND2 3.27Å; V288-N292 HydrophobicContact CG1-CB 4.4Å; V288-N292 WeakPolarHBondContact O-CB 3.48Å; V288-N292 PolarHBondContact O-N 3.33Å
293G84.7Confident89.8Confident23 Ų2348.9 Ų48.924%0.23727%0.268CS..  trans67.3174.7-16800000113.4M289M289-G293 WeakPolarHBondContact O-CA 3.25Å; M289-G293 PolarHBondContact O-N 3.4Å
294P90Very high90Very high86 Ų8651.1 Ų51.156%0.55828%0.278SS*.  trans-78.6135.4-179.630.3-32.9000112M289 L299M289-P294 HydrophobicContact CE-CB 4.01Å; M289-P294 HydrophobicContact CE-CG 4.23Å; M289-P294 HydrophobicContact SD-CB 3.95Å; P294-L299 HydrophobicContact CB-CD1 4.34Å; P294-L299 HydrophobicContact CB-CD2 4.17Å; P294-L299 HydrophobicContact CB-CG 4.41Å
295Y91.6Very high90.2Very high9 Ų951.5 Ų51.54%0.03528%0.28CS..  trans-140.215816760.7-85.7000110.3W11 P13 Y224 A297 Y298 L299W11-Y295 WeakPolarHBondContact O-CE2 3.48Å; P13-Y295 HydrophobicContact CB-CD1 3.88Å; P13-Y295 HydrophobicContact CB-CE1 3.71Å; P13-Y295 HydrophobicContact CG-CE1 4.3Å; Y224-Y295 WeakPolarHBondContact CE2-OH 3.24Å; Y224-Y295 PolarHBondContact OH-OH 2.87Å; Y295-A297 HydrophobicContact CD2-CB 4.4Å; Y295-A297 HydrophobicContact CE2-CB 4.32Å; Y295-A297 PolarHBondContact O-N 2.97Å; Y295-Y298 HydrophobicContact CE1-CG 4.18Å; Y295-Y298 VanDerWaalsContact CZ-CB 3.4Å; Y295-Y298 PolarHBondContact O-N 3.46Å; Y295-L299 WeakPolarHBondContact O-CG 3.33Å; Y295-L299 PolarHBondContact O-N 2.65Å
296P93.3Very high90.5Very high54 Ų5449.9 Ų49.935%0.35128%0.276SS..Hα-helixtrans-56.4-50.9-165.3-29.537.5000115.7K9 F10 Y298 L299 I300K9-P296 VanDerWaalsContact O-CD 3.26Å; K9-P296 WeakPolarHBondContact O-CD 3.29Å; F10-P296 HydrophobicContact CD2-CB 3.44Å; F10-P296 VanDerWaalsContact CD2-CB 3.44Å; F10-P296 HydrophobicContact CD2-CG 4.11Å; F10-P296 HydrophobicContact CE2-CB 3.7Å; F10-P296 HydrophobicContact CG-CB 4.12Å; P296-Y298 VanDerWaalsContact C-N 3.3Å; P296-Y298 PolarHBondContact O-N 2.95Å; P296-L299 PolarHBondContact O-N 3.29Å; P296-I300 WeakPolarHBondContact O-CG1 3.38Å; P296-I300 PolarHBondContact O-N 2.83Å
297A92.6Very high91Very high2 Ų247.4 Ų47.42%0.01727%0.27CS..Hα-helixtrans-63.1-37.4-178.200000112.3F10 W11 T222 Y295 I300 M301F10-A297 HydrophobicContact CD1-CB 4.24Å; F10-A297 HydrophobicContact CE1-CB 4.05Å; F10-A297 WeakPolarHBondContact O-CB 3.32Å; F10-A297 PolarHBondContact O-N 3.39Å; W11-A297 HydrophobicContact CD2-CB 4.41Å; W11-A297 HydrophobicContact CE3-CB 3.78Å; W11-A297 HydrophobicContact CZ3-CB 4.31Å; T222-A297 HydrophobicContact CG2-CB 4.46Å; Y295-A297 HydrophobicContact CD2-CB 4.4Å; Y295-A297 HydrophobicContact CE2-CB 4.32Å; Y295-A297 PolarHBondContact O-N 2.97Å; A297-I300 PolarHBondContact O-N 2.83Å; A297-M301 PolarHBondContact O-N 3.5Å
298Y92.7Very high91.5Very high3 Ų344.9 Ų44.91%0.01226%0.259CS..Hα-helixtrans-62.8-46.3173.1166.4-97.1000112T284 F285 V288 M289 Y295 P296 I300 M301 V302T284-Y298 HydrophobicContact CG2-CE2 4.13Å; T284-Y298 PolarHBondContact O-OH 2.88Å; F285-Y298 WeakPolarHBondContact CA-OH 3.42Å; V288-Y298 HydrophobicContact CB-CD2 4.14Å; V288-Y298 HydrophobicContact CB-CE2 3.4Å; V288-Y298 VanDerWaalsContact CB-CE2 3.4Å; V288-Y298 HydrophobicContact CG1-CD2 3.45Å; V288-Y298 VanDerWaalsContact CG1-CD2 3.45Å; V288-Y298 HydrophobicContact CG1-CE2 3.25Å; V288-Y298 HydrophobicContact CG1-CG 4.18Å; V288-Y298 HydrophobicContact CG2-CE2 3.95Å; M289-Y298 HydrophobicContact CG-CE1 3.85Å; M289-Y298 WeakPolarHBondContact CG-OH 3.45Å; M289-Y298 HydrophobicContact SD-CD1 4.26Å; M289-Y298 HydrophobicContact SD-CE1 3.45Å; M289-Y298 WeakPolarHBondContact SD-CE1 3.28Å; Y295-Y298 HydrophobicContact CE1-CG 4.18Å; Y295-Y298 VanDerWaalsContact CZ-CB 3.4Å; Y295-Y298 PolarHBondContact O-N 3.46Å; P296-Y298 VanDerWaalsContact C-N 3.3Å; P296-Y298 PolarHBondContact O-N 2.95Å; Y298-I300 VanDerWaalsContact C-N 3.27Å; Y298-I300 PolarHBondContact O-N 3.5Å; Y298-M301 HydrophobicContact CD2-CE 3.96Å; Y298-M301 HydrophobicContact CE2-CE 4.42Å; Y298-M301 WeakPolarHBondContact O-CB 3.47Å; Y298-M301 PolarHBondContact O-N 3.28Å; Y298-M301 VanDerWaalsContact O-N 3.14Å; Y298-V302 HydrophobicContact CD1-CG2 4.37Å; Y298-V302 HydrophobicContact CD2-CG2 4.14Å; Y298-V302 HydrophobicContact CE1-CG2 3.8Å; Y298-V302 HydrophobicContact CE2-CG2 3.56Å; Y298-V302 WeakPolarHBondContact O-CG2 3.21Å; Y298-V302 PolarHBondContact O-N 2.96Å
299L94.2Very high92.2Very high91 Ų9145.8 Ų45.848%0.47626%0.263SS..Hα-helixtrans-61.5-38177.7-66.8177.3000111.9P294 Y295 P296 G303P294-L299 HydrophobicContact CB-CD1 4.34Å; P294-L299 HydrophobicContact CB-CD2 4.17Å; P294-L299 HydrophobicContact CB-CG 4.41Å; Y295-L299 WeakPolarHBondContact O-CG 3.33Å; Y295-L299 PolarHBondContact O-N 2.65Å; P296-L299 PolarHBondContact O-N 3.29Å; L299-G303 PolarHBondContact O-N 2.98Å
300I95Very high92.9Very high60 Ų6048.3 Ų48.331%0.30828%0.277SS..Hα-helixtrans-63.2-45.6174-69.2166.3000110.7F10 F218 P296 A297 Y298 G303 F304F10-I300 HydrophobicContact CE2-CD1 4.01Å; F10-I300 HydrophobicContact CZ-CD1 3.61Å; F218-I300 HydrophobicContact CD1-CG2 4.09Å; F218-I300 HydrophobicContact CE1-CB 4.34Å; F218-I300 HydrophobicContact CE1-CD1 4.4Å; F218-I300 HydrophobicContact CE1-CG2 3.71Å; P296-I300 WeakPolarHBondContact O-CG1 3.38Å; P296-I300 PolarHBondContact O-N 2.83Å; A297-I300 PolarHBondContact O-N 2.83Å; Y298-I300 VanDerWaalsContact C-N 3.27Å; Y298-I300 PolarHBondContact O-N 3.5Å; I300-G303 PolarHBondContact O-N 2.92Å; I300-F304 HydrophobicContact CG2-CD2 3.75Å; I300-F304 HydrophobicContact CG2-CE2 3.52Å; I300-F304 WeakPolarHBondContact O-CD2 3.31Å; I300-F304 PolarHBondContact O-N 3.43Å
301M94.8Very high93.6Very high6 Ų640.3 Ų40.33%0.0324%0.242CC..Hα-helixtrans-61.2-47177.7-175-179.765.300111.5L215 Y224 T284 A297 Y298 G303 F304 L305L215-M301 HydrophobicContact CD2-CG 3.82Å; L215-M301 WeakPolarHBondContact CD2-O 3.15Å; Y224-M301 HydrophobicContact CD1-CE 4.48Å; Y224-M301 HydrophobicContact CD2-CE 3.58Å; Y224-M301 HydrophobicContact CD2-SD 3.96Å; Y224-M301 HydrophobicContact CE2-CE 3.93Å; Y224-M301 HydrophobicContact CG-CE 3.9Å; Y224-M301 HydrophobicContact CG-SD 4.27Å; T284-M301 HydrophobicContact CG2-CE 4.35Å; A297-M301 PolarHBondContact O-N 3.5Å; Y298-M301 HydrophobicContact CD2-CE 3.96Å; Y298-M301 HydrophobicContact CE2-CE 4.42Å; Y298-M301 WeakPolarHBondContact O-CB 3.47Å; Y298-M301 PolarHBondContact O-N 3.28Å; Y298-M301 VanDerWaalsContact O-N 3.14Å; M301-G303 VanDerWaalsContact C-N 3.3Å; M301-G303 PolarHBondContact O-N 2.89Å; M301-F304 PolarHBondContact O-N 3.15Å; M301-L305 WeakPolarHBondContact O-CG 3.4Å; M301-L305 PolarHBondContact O-N 2.8Å
302V94.9Very high94.4Very high17 Ų1736.8 Ų36.810%0.10321%0.213CC..Hα-helixtrans-60.4-41.5174.2173.70000110.9T284 Y298 F304 L305 L306T284-V302 HydrophobicContact CG2-CG2 4.25Å; Y298-V302 HydrophobicContact CD1-CG2 4.37Å; Y298-V302 HydrophobicContact CD2-CG2 4.14Å; Y298-V302 HydrophobicContact CE1-CG2 3.8Å; Y298-V302 HydrophobicContact CE2-CG2 3.56Å; Y298-V302 WeakPolarHBondContact O-CG2 3.21Å; Y298-V302 PolarHBondContact O-N 2.96Å; V302-F304 PolarHBondContact O-N 3.17Å; V302-L305 WeakPolarHBondContact O-CB 3.41Å; V302-L305 PolarHBondContact O-N 3.39Å; V302-L306 HydrophobicContact CG1-CD1 4.28Å; V302-L306 HydrophobicContact CG1-CG 4.48Å; V302-L306 WeakPolarHBondContact O-CG 3.19Å; V302-L306 PolarHBondContact O-N 3.46Å
303G96.1Very high95.2Very high31 Ų3139.6 Ų39.632%0.3223%0.227SC..Hα-helixtrans-55.7-47.7174.300000112.4L299 I300 M301 L306 V307L299-G303 PolarHBondContact O-N 2.98Å; I300-G303 PolarHBondContact O-N 2.92Å; M301-G303 VanDerWaalsContact C-N 3.3Å; M301-G303 PolarHBondContact O-N 2.89Å; G303-L306 PolarHBondContact O-N 2.97Å; G303-V307 WeakPolarHBondContact O-CG2 3.32Å; G303-V307 PolarHBondContact O-N 3.38Å
304F97.8Very high95.8Very high46 Ų4642.8 Ų42.820%0.20223%0.233CC..Hα-helixtrans-67.5-34.1176.3-75.7-60.3000113.5S214 L215 I300 M301 V302 L306 V307 L308S214-F304 VanDerWaalsContact CB-CE2 3.45Å; L215-F304 HydrophobicContact CD1-CB 3.95Å; L215-F304 HydrophobicContact CD2-CB 3.57Å; L215-F304 HydrophobicContact CG-CB 3.53Å; L215-F304 HydrophobicContact CG-CG 4.43Å; I300-F304 HydrophobicContact CG2-CD2 3.75Å; I300-F304 HydrophobicContact CG2-CE2 3.52Å; I300-F304 WeakPolarHBondContact O-CD2 3.31Å; I300-F304 PolarHBondContact O-N 3.43Å; M301-F304 PolarHBondContact O-N 3.15Å; V302-F304 PolarHBondContact O-N 3.17Å; F304-L306 VanDerWaalsContact C-N 3.31Å; F304-L306 PolarHBondContact O-N 3.5Å; F304-V307 PolarHBondContact O-N 3.25Å; F304-L308 WeakPolarHBondContact O-CB 3.45Å; F304-L308 PolarHBondContact O-N 3.08Å
305L97.4Very high96.1Very high11 Ų1139.2 Ų39.26%0.05821%0.208CC..Hα-helixtrans-62.2-39.6172.3-71.6173.4000111.4L215 F276 I281 T284 M301 V302 L308 Q309L215-L305 HydrophobicContact CD1-CD2 4.15Å; L215-L305 HydrophobicContact CD2-CD2 3.97Å; L215-L305 HydrophobicContact CD2-CG 3.84Å; F276-L305 HydrophobicContact CE2-CD2 4.11Å; F276-L305 HydrophobicContact CZ-CD2 3.93Å; I281-L305 HydrophobicContact CG1-CB 4.41Å; T284-L305 HydrophobicContact CG2-CD1 3.97Å; M301-L305 WeakPolarHBondContact O-CG 3.4Å; M301-L305 PolarHBondContact O-N 2.8Å; V302-L305 WeakPolarHBondContact O-CB 3.41Å; V302-L305 PolarHBondContact O-N 3.39Å; L305-L308 PolarHBondContact O-N 3.38Å; L305-Q309 PolarHBondContact O-N 3.38Å
306L97.8Very high96.4Very high85 Ų8541.2 Ų41.245%0.44522%0.217SC..Hα-helixtrans-68.6-40.8175.2-67174.4000112I281 V302 G303 F304 L308 Q309 I310I281-L306 HydrophobicContact CD1-CD2 4.47Å; I281-L306 HydrophobicContact CG2-CD2 4.19Å; V302-L306 HydrophobicContact CG1-CD1 4.28Å; V302-L306 HydrophobicContact CG1-CG 4.48Å; V302-L306 WeakPolarHBondContact O-CG 3.19Å; V302-L306 PolarHBondContact O-N 3.46Å; G303-L306 PolarHBondContact O-N 2.97Å; F304-L306 VanDerWaalsContact C-N 3.31Å; F304-L306 PolarHBondContact O-N 3.5Å; L306-L308 VanDerWaalsContact C-N 3.3Å; L306-L308 PolarHBondContact O-N 3.49Å; L306-Q309 WeakPolarHBondContact O-CB 3.23Å; L306-Q309 PolarHBondContact O-N 3.08Å; L306-I310 WeakPolarHBondContact O-CG1 3.19Å; L306-I310 PolarHBondContact O-N 3.42Å
307V97.8Very high96.5Very high58 Ų5841.8 Ų41.835%0.35222%0.222SC..Hα-helixtrans-57.1-46.9171.6170.10000109.9S211 G303 F304 Q309 I310 L311S211-V307 WeakPolarHBondContact OG-CG1 3.3Å; G303-V307 WeakPolarHBondContact O-CG2 3.32Å; G303-V307 PolarHBondContact O-N 3.38Å; F304-V307 PolarHBondContact O-N 3.25Å; V307-Q309 VanDerWaalsContact C-N 3.31Å; V307-Q309 PolarHBondContact O-N 3.17Å; V307-I310 PolarHBondContact O-N 2.98Å; V307-I310 VanDerWaalsContact O-N 3.17Å; V307-L311 HydrophobicContact CG1-CD1 4Å; V307-L311 HydrophobicContact CG1-CG 4.37Å; V307-L311 VanDerWaalsContact O-CG 3.26Å; V307-L311 WeakPolarHBondContact O-CG 3.21Å; V307-L311 PolarHBondContact O-N 3.2Å
308L97.5Very high96.6Very high4 Ų442.5 Ų42.52%0.02123%0.225CC..Hα-helixtrans-59.8-41177.9-169.860000111.8L215 F276 F304 L305 L306 L311 H312L215-L308 HydrophobicContact CD1-CD2 4.13Å; F276-L308 HydrophobicContact CE1-CB 4.49Å; F276-L308 HydrophobicContact CE1-CG 4.44Å; F276-L308 HydrophobicContact CE2-CD2 4.35Å; F276-L308 HydrophobicContact CZ-CB 4.33Å; F276-L308 HydrophobicContact CZ-CD2 3.83Å; F276-L308 HydrophobicContact CZ-CG 4.22Å; F304-L308 WeakPolarHBondContact O-CB 3.45Å; F304-L308 PolarHBondContact O-N 3.08Å; L305-L308 PolarHBondContact O-N 3.38Å; L306-L308 VanDerWaalsContact C-N 3.3Å; L306-L308 PolarHBondContact O-N 3.49Å; L308-L311 PolarHBondContact O-N 3.07Å; L308-H312 VanDerWaalsContact O-CG 3.24Å; L308-H312 PolarHBondContact O-N 3.1Å; L308-H312 PolarHBondContact O-ND1 2.8Å
309Q98.2Very high96.7Very high20 Ų2043 Ų439%0.09323%0.228CC..Hα-helixtrans-63.2-42.7174.4-177.258.467.900113.2R272 F276 P277 I281 L305 L306 V307 L311 H312 I313R272-Q309 PolarHBondContact O-NE2 3.43Å; R272-Q309 PolarHBondContact O-OE1 2.93Å; F276-Q309 HydrophobicContact CE1-CB 4.11Å; P277-Q309 VanDerWaalsContact CB-OE1 3.25Å; I281-Q309 HydrophobicContact CD1-CB 3.84Å; I281-Q309 HydrophobicContact CD1-CG 4.27Å; L305-Q309 PolarHBondContact O-N 3.38Å; L306-Q309 WeakPolarHBondContact O-CB 3.23Å; L306-Q309 PolarHBondContact O-N 3.08Å; V307-Q309 VanDerWaalsContact C-N 3.31Å; V307-Q309 PolarHBondContact O-N 3.17Å; Q309-L311 VanDerWaalsContact C-N 3.27Å; Q309-L311 PolarHBondContact O-N 3.19Å; Q309-H312 WeakPolarHBondContact O-CB 3.32Å; Q309-H312 PolarHBondContact O-N 2.95Å; Q309-I313 HydrophobicContact CG-CD1 4.41Å; Q309-I313 WeakPolarHBondContact O-CG1 3.38Å; Q309-I313 PolarHBondContact O-N 3.21Å; Q309-I313 VanDerWaalsContact O-N 3.07Å
310I98.2Very high96.8Very high114 Ų11441.3 Ų41.359%0.58522%0.221SC*.Hα-helixtrans-60.7-42.9176.3-69165.1000109.8L306 V307 H312 I313 Y314L306-I310 WeakPolarHBondContact O-CG1 3.19Å; L306-I310 PolarHBondContact O-N 3.42Å; V307-I310 PolarHBondContact O-N 2.98Å; V307-I310 VanDerWaalsContact O-N 3.17Å; I310-H312 PolarHBondContact O-N 2.95Å; I310-I313 PolarHBondContact O-N 3.24Å; I310-Y314 PolarHBondContact O-N 3.44Å
311L97.6Very high96.7Very high20 Ų2044.7 Ų44.711%0.10523%0.234CC..Hα-helixtrans-63.8-39.8176.7-63.9171.9000111.8V204 H208 V307 L308 Q309 I313 Y314 W315V204-L311 HydrophobicContact CG1-CD2 3.41Å; V204-L311 VanDerWaalsContact CG1-CD2 3.41Å; H208-L311 HydrophobicContact CB-CD1 3.89Å; V307-L311 HydrophobicContact CG1-CD1 4Å; V307-L311 HydrophobicContact CG1-CG 4.37Å; V307-L311 VanDerWaalsContact O-CG 3.26Å; V307-L311 WeakPolarHBondContact O-CG 3.21Å; V307-L311 PolarHBondContact O-N 3.2Å; L308-L311 PolarHBondContact O-N 3.07Å; Q309-L311 VanDerWaalsContact C-N 3.27Å; Q309-L311 PolarHBondContact O-N 3.19Å; L311-I313 VanDerWaalsContact C-N 3.33Å; L311-I313 PolarHBondContact O-N 2.98Å; L311-Y314 WeakPolarHBondContact O-CB 3.43Å; L311-Y314 PolarHBondContact O-N 3.48Å; L311-W315 HydrophobicContact CB-CE3 3.86Å; L311-W315 HydrophobicContact CB-CH2 3.47Å; L311-W315 VanDerWaalsContact CB-CH2 3.47Å; L311-W315 HydrophobicContact CB-CZ2 4.17Å; L311-W315 HydrophobicContact CB-CZ3 3.3Å; L311-W315 HydrophobicContact CD1-CH2 3.91Å; L311-W315 HydrophobicContact CD1-CZ3 4.44Å; L311-W315 HydrophobicContact CD2-CH2 4.41Å; L311-W315 HydrophobicContact CD2-CZ2 4.48Å; L311-W315 HydrophobicContact CG-CH2 4.15Å; L311-W315 HydrophobicContact CG-CZ3 4.42Å; L311-W315 VanDerWaalsContact O-CD2 3.25Å; L311-W315 PolarHBondContact O-N 3.13Å
312H98Very high96.5Very high1 Ų145 Ų451%0.00524%0.235CC..Hα-helixtrans-58.9-42.4173.4-66153.6000113.1H235 R272 L273 F276 L308 Q309 I310 F316H235-H312 AromaticContact CD2-CE1 3.97Å; H235-H312 AromaticContact CD2-NE2 3.62Å; H235-H312 AromaticContact CE1-CE1 3.93Å; H235-H312 AromaticContact NE2-CE1 3.07Å; H235-H312 PolarHBondContact NE2-CE1 3.3Å; H235-H312 AromaticContact NE2-NE2 3.18Å; H235-H312 PolarHBondContact NE2-NE2 3.47Å; H235-H312 VanDerWaalsContact NE2-NE2 3.18Å; R272-H312 HydrophobicContact CB-CB 4.33Å; L273-H312 HydrophobicContact CD2-CB 4.42Å; F276-H312 AromaticContact CD1-CE1 3.91Å; F276-H312 AromaticContact CD1-ND1 3.69Å; F276-H312 AromaticContact CE1-CE1 3.91Å; F276-H312 AromaticContact CE1-ND1 3.87Å; L308-H312 VanDerWaalsContact O-CG 3.24Å; L308-H312 PolarHBondContact O-N 3.1Å; L308-H312 PolarHBondContact O-ND1 2.8Å; Q309-H312 WeakPolarHBondContact O-CB 3.32Å; Q309-H312 PolarHBondContact O-N 2.95Å; I310-H312 PolarHBondContact O-N 2.95Å; H312-F316 VanDerWaalsContact O-CB 3.29Å; H312-F316 WeakPolarHBondContact O-CB 3.39Å; H312-F316 PolarHBondContact O-N 3.16Å
313I98.3Very high96.3Very high90 Ų9046 Ų4646%0.46225%0.245SC..Hα-helixtrans-64-46176-65.2165.4000109.7L273 Q309 I310 L311 W315 F316 C317L273-I313 HydrophobicContact CD2-CG1 4.35Å; Q309-I313 HydrophobicContact CG-CD1 4.41Å; Q309-I313 WeakPolarHBondContact O-CG1 3.38Å; Q309-I313 PolarHBondContact O-N 3.21Å; Q309-I313 VanDerWaalsContact O-N 3.07Å; I310-I313 PolarHBondContact O-N 3.24Å; L311-I313 VanDerWaalsContact C-N 3.33Å; L311-I313 PolarHBondContact O-N 2.98Å; I313-W315 PolarHBondContact O-N 3.41Å; I313-F316 PolarHBondContact O-N 3.02Å; I313-C317 PolarHBondContact O-N 3.48Å; I313-C317 PolarHBondContact O-SG 3.02Å
314Y97.2Very high96.1Very high90 Ų9049.7 Ų49.735%0.35326%0.257SS..Hα-helixtrans-56.3-51.5176.5168.3-98000112.2V204 I310 L311 F316 C317 L318V204-Y314 HydrophobicContact CB-CE1 4.38Å; V204-Y314 HydrophobicContact CG1-CD1 3.9Å; V204-Y314 HydrophobicContact CG1-CE1 3.81Å; V204-Y314 HydrophobicContact CG2-CE1 4.31Å; I310-Y314 PolarHBondContact O-N 3.44Å; L311-Y314 WeakPolarHBondContact O-CB 3.43Å; L311-Y314 PolarHBondContact O-N 3.48Å; Y314-F316 VanDerWaalsContact C-N 3.32Å; Y314-F316 PolarHBondContact O-N 3.36Å; Y314-C317 WeakPolarHBondContact O-CB 3.45Å; Y314-C317 PolarHBondContact O-N 2.82Å; Y314-L318 HydrophobicContact CD1-CD1 4.43Å; Y314-L318 HydrophobicContact CE1-CD1 3.72Å; Y314-L318 HydrophobicContact CE1-CG 4.44Å; Y314-L318 PolarHBondContact O-N 3.04Å
315W97Very high95.6Very high12 Ų1249.9 Ų49.95%0.04526%0.258CS..Hα-helixtrans-67.2-33.7178.7-67.8-54.2000112.3V204 H208 W268 L311 I313 C317 L318 I319 R337V204-W315 HydrophobicContact CG1-CZ2 4.19Å; H208-W315 HydrophobicContact CB-CH2 3.66Å; H208-W315 HydrophobicContact CB-CZ2 4.02Å; H208-W315 AromaticContact CD2-CH2 3.68Å; H208-W315 AromaticContact CG-CH2 3.53Å; W268-W315 HydrophobicContact CH2-CB 4.14Å; W268-W315 HydrophobicContact CH2-CE3 4.3Å; W268-W315 HydrophobicContact CZ2-CB 3.79Å; W268-W315 HydrophobicContact CZ2-CE3 4.38Å; L311-W315 HydrophobicContact CB-CE3 3.86Å; L311-W315 HydrophobicContact CB-CH2 3.47Å; L311-W315 VanDerWaalsContact CB-CH2 3.47Å; L311-W315 HydrophobicContact CB-CZ2 4.17Å; L311-W315 HydrophobicContact CB-CZ3 3.3Å; L311-W315 HydrophobicContact CD1-CH2 3.91Å; L311-W315 HydrophobicContact CD1-CZ3 4.44Å; L311-W315 HydrophobicContact CD2-CH2 4.41Å; L311-W315 HydrophobicContact CD2-CZ2 4.48Å; L311-W315 HydrophobicContact CG-CH2 4.15Å; L311-W315 HydrophobicContact CG-CZ3 4.42Å; L311-W315 VanDerWaalsContact O-CD2 3.25Å; L311-W315 PolarHBondContact O-N 3.13Å; I313-W315 PolarHBondContact O-N 3.41Å; W315-C317 VanDerWaalsContact C-N 3.32Å; W315-C317 PolarHBondContact O-N 3.32Å; W315-L318 WeakPolarHBondContact O-CA 3.35Å; W315-L318 WeakPolarHBondContact O-CB 3.38Å; W315-L318 PolarHBondContact O-N 3.03Å; W315-I319 WeakPolarHBondContact O-CG1 3.23Å; W315-I319 PolarHBondContact O-N 3.07Å; W315-R337 VanDerWaalsContact CD1-CZ 3.46Å; W315-R337 VanDerWaalsContact NE1-NH2 3.1Å
316F97.4Very high95Very high50 Ų5050.7 Ų50.722%0.21926%0.263CS..Hα-helixtrans-61.5-40.7173.1-177-111.9000112W268 I269 L273 H312 I313 Y314 L318 I319 V320W268-F316 AromaticContact CD1-CD2 3.85Å; I269-F316 HydrophobicContact CD1-CE2 3.94Å; I269-F316 HydrophobicContact CD1-CZ 4.15Å; I269-F316 HydrophobicContact CG1-CD2 4.43Å; I269-F316 HydrophobicContact CG1-CE2 3.57Å; I269-F316 HydrophobicContact CG1-CZ 4.04Å; L273-F316 HydrophobicContact CD1-CB 4.02Å; L273-F316 HydrophobicContact CD1-CD1 3.6Å; L273-F316 HydrophobicContact CD1-CD2 3.58Å; L273-F316 HydrophobicContact CD1-CE1 3.85Å; L273-F316 HydrophobicContact CD1-CE2 3.82Å; L273-F316 HydrophobicContact CD1-CG 3.45Å; L273-F316 VanDerWaalsContact CD1-CG 3.45Å; L273-F316 HydrophobicContact CD1-CZ 3.95Å; L273-F316 HydrophobicContact CD2-CB 4.43Å; H312-F316 VanDerWaalsContact O-CB 3.29Å; H312-F316 WeakPolarHBondContact O-CB 3.39Å; H312-F316 PolarHBondContact O-N 3.16Å; I313-F316 PolarHBondContact O-N 3.02Å; Y314-F316 VanDerWaalsContact C-N 3.32Å; Y314-F316 PolarHBondContact O-N 3.36Å; F316-L318 PolarHBondContact O-N 3.27Å; F316-I319 WeakPolarHBondContact O-CB 3.18Å; F316-I319 PolarHBondContact O-N 2.95Å; F316-I319 VanDerWaalsContact O-N 3.12Å; F316-V320 HydrophobicContact CD1-CG2 4.06Å; F316-V320 HydrophobicContact CD2-CG2 4.45Å; F316-V320 HydrophobicContact CE1-CG2 3.66Å; F316-V320 HydrophobicContact CE2-CG2 4.09Å; F316-V320 HydrophobicContact CG-CG2 4.45Å; F316-V320 HydrophobicContact CZ-CG2 3.68Å; F316-V320 WeakPolarHBondContact O-CG2 3.17Å; F316-V320 PolarHBondContact O-N 3.37Å
317C96.9Very high94.4Very high66 Ų6655.7 Ų55.745%0.44628%0.282SS..Hα-helixtrans-58.4-35.6172.6-64.30000112.2I313 Y314 W315 K321I313-C317 PolarHBondContact O-N 3.48Å; I313-C317 PolarHBondContact O-SG 3.02Å; Y314-C317 WeakPolarHBondContact O-CB 3.45Å; Y314-C317 PolarHBondContact O-N 2.82Å; W315-C317 VanDerWaalsContact C-N 3.32Å; W315-C317 PolarHBondContact O-N 3.32Å; C317-K321 WeakPolarHBondContact O-CG 3.34Å; C317-K321 PolarHBondContact O-N 3.15Å; C317-K321 VanDerWaalsContact O-N 3.13Å
318L94.4Very high93.9Very high18 Ų1857.5 Ų57.59%0.09430%0.297CS..Hα-helixtrans-69.6-42.6174.1-57.8-176.8000111.9Y314 W315 F316 V320 K321 I322 R337Y314-L318 HydrophobicContact CD1-CD1 4.43Å; Y314-L318 HydrophobicContact CE1-CD1 3.72Å; Y314-L318 HydrophobicContact CE1-CG 4.44Å; Y314-L318 PolarHBondContact O-N 3.04Å; W315-L318 WeakPolarHBondContact O-CA 3.35Å; W315-L318 WeakPolarHBondContact O-CB 3.38Å; W315-L318 PolarHBondContact O-N 3.03Å; F316-L318 PolarHBondContact O-N 3.27Å; L318-V320 VanDerWaalsContact C-N 3.31Å; L318-V320 PolarHBondContact O-N 3.19Å; L318-K321 WeakPolarHBondContact O-CB 3.38Å; L318-K321 PolarHBondContact O-N 2.72Å; L318-I322 WeakPolarHBondContact O-CG1 3.36Å; L318-I322 PolarHBondContact O-N 2.83Å; L318-R337 HydrophobicContact CD1-CG 3.63Å
319I94.7Very high93.2Very high13 Ų1360.8 Ų60.87%0.06732%0.315CS..Hα-helixtrans-59.7-43.6176.1-67165.7000110.4F261 F264 V265 W268 W315 F316 K321 I322 A323F261-I319 HydrophobicContact CZ-CG2 4.2Å; F264-I319 HydrophobicContact CE1-CD1 3.74Å; F264-I319 HydrophobicContact CE1-CG1 3.96Å; F264-I319 HydrophobicContact CE1-CG2 4.18Å; F264-I319 HydrophobicContact CZ-CD1 3.52Å; F264-I319 HydrophobicContact CZ-CG1 4.14Å; V265-I319 HydrophobicContact CG2-CG2 3.67Å; W268-I319 HydrophobicContact CD2-CD1 3.71Å; W268-I319 HydrophobicContact CE3-CD1 4.15Å; W268-I319 HydrophobicContact CG-CD1 4.03Å; W268-I319 HydrophobicContact CZ2-CD1 4.18Å; W315-I319 WeakPolarHBondContact O-CG1 3.23Å; W315-I319 PolarHBondContact O-N 3.07Å; F316-I319 WeakPolarHBondContact O-CB 3.18Å; F316-I319 PolarHBondContact O-N 2.95Å; F316-I319 VanDerWaalsContact O-N 3.12Å; I319-K321 PolarHBondContact O-N 3.3Å; I319-I322 WeakPolarHBondContact O-CB 3.17Å; I319-I322 PolarHBondContact O-N 3.2Å; I319-A323 PolarHBondContact O-N 3.23Å
320V95Very high92.2Very high55 Ų5562.6 Ų62.633%0.33334%0.339SS..Hα-helixtrans-62.4-42.31761710000111.4F316 L318 I322 A323 I324F316-V320 HydrophobicContact CD1-CG2 4.06Å; F316-V320 HydrophobicContact CD2-CG2 4.45Å; F316-V320 HydrophobicContact CE1-CG2 3.66Å; F316-V320 HydrophobicContact CE2-CG2 4.09Å; F316-V320 HydrophobicContact CG-CG2 4.45Å; F316-V320 HydrophobicContact CZ-CG2 3.68Å; F316-V320 WeakPolarHBondContact O-CG2 3.17Å; F316-V320 PolarHBondContact O-N 3.37Å; L318-V320 VanDerWaalsContact C-N 3.31Å; L318-V320 PolarHBondContact O-N 3.19Å; V320-I322 VanDerWaalsContact C-N 3.28Å; V320-I322 PolarHBondContact O-N 3.18Å; V320-A323 PolarHBondContact O-N 3.41Å; V320-I324 HydrophobicContact CG1-CD1 3.85Å; V320-I324 HydrophobicContact CG1-CG1 4.37Å; V320-I324 WeakPolarHBondContact O-CG1 3.42Å; V320-I324 PolarHBondContact O-N 2.63Å
321K92.8Very high91.1Very high131 Ų13161.5 Ų61.557%0.5733%0.331SS*.Hα-helixtrans-58.2-42.3174.5-75.3175.1179.3-179.20111.7C317 L318 I319 Q325C317-K321 WeakPolarHBondContact O-CG 3.34Å; C317-K321 PolarHBondContact O-N 3.15Å; C317-K321 VanDerWaalsContact O-N 3.13Å; L318-K321 WeakPolarHBondContact O-CB 3.38Å; L318-K321 PolarHBondContact O-N 2.72Å; I319-K321 PolarHBondContact O-N 3.3Å; K321-Q325 PolarHBondContact O-N 3.38Å; K321-Q325 VanDerWaalsContact O-N 3.08Å
322I91.6Very high89.9Confident13 Ų1361.3 Ų61.37%0.06733%0.33CS..Hα-helixtrans-65.2-44.7176.1-64.7166.3000110.4F261 L318 I319 V320 I324 Q325 V326 L332 D335F261-I322 HydrophobicContact CE1-CG2 4.42Å; F261-I322 HydrophobicContact CE2-CG2 4.12Å; F261-I322 HydrophobicContact CZ-CB 4.22Å; F261-I322 HydrophobicContact CZ-CG2 3.73Å; L318-I322 WeakPolarHBondContact O-CG1 3.36Å; L318-I322 PolarHBondContact O-N 2.83Å; I319-I322 WeakPolarHBondContact O-CB 3.17Å; I319-I322 PolarHBondContact O-N 3.2Å; V320-I322 VanDerWaalsContact C-N 3.28Å; V320-I322 PolarHBondContact O-N 3.18Å; I322-I324 PolarHBondContact O-N 3.19Å; I322-Q325 WeakPolarHBondContact O-CB 3.28Å; I322-Q325 PolarHBondContact O-N 3.07Å; I322-Q325 VanDerWaalsContact O-N 3.14Å; I322-V326 WeakPolarHBondContact O-CG2 3.3Å; I322-V326 PolarHBondContact O-N 3.15Å; I322-L332 HydrophobicContact CG2-CD1 3.34Å; I322-D335 WeakPolarHBondContact CD1-OD1 3.34Å
323A91.6Very high88.2Confident38 Ų3863.2 Ų63.231%0.31434%0.341SS..Hα-helixtrans-62-40.2178.600000112.7F261 I319 V320 Q325 V326 K327F261-A323 HydrophobicContact CE1-CB 4.23Å; I319-A323 PolarHBondContact O-N 3.23Å; V320-A323 PolarHBondContact O-N 3.41Å; A323-Q325 VanDerWaalsContact C-N 3.34Å; A323-V326 PolarHBondContact O-N 3.29Å; A323-K327 PolarHBondContact O-N 3.12Å; A323-K327 VanDerWaalsContact O-N 3.07Å
324I91.1Very high86.6Confident109 Ų10962.3 Ų62.356%0.55933%0.334SS*.Hα-helixtrans-63.6-41.5174-67.4167.4000110.5V320 I322 K327 S328V320-I324 HydrophobicContact CG1-CD1 3.85Å; V320-I324 HydrophobicContact CG1-CG1 4.37Å; V320-I324 WeakPolarHBondContact O-CG1 3.42Å; V320-I324 PolarHBondContact O-N 2.63Å; I322-I324 PolarHBondContact O-N 3.19Å; I324-K327 PolarHBondContact O-N 3.13Å; I324-S328 WeakPolarHBondContact O-CB 3.21Å; I324-S328 PolarHBondContact O-N 3.26Å
325Q86.4Confident84.8Confident49 Ų4959.1 Ų59.123%0.22932%0.323CS..Hα-helixtrans-62.4-42.1176.5-175.6-179.57.400112K321 I322 A323 K327 S328 N329 K334K321-Q325 PolarHBondContact O-N 3.38Å; K321-Q325 VanDerWaalsContact O-N 3.08Å; I322-Q325 WeakPolarHBondContact O-CB 3.28Å; I322-Q325 PolarHBondContact O-N 3.07Å; I322-Q325 VanDerWaalsContact O-N 3.14Å; A323-Q325 VanDerWaalsContact C-N 3.34Å; Q325-K327 VanDerWaalsContact C-N 3.32Å; Q325-K327 PolarHBondContact O-N 3.21Å; Q325-S328 PolarHBondContact O-N 3.07Å; Q325-N329 WeakPolarHBondContact CG-ND2 3.37Å; Q325-N329 WeakPolarHBondContact O-CB 3.38Å; Q325-N329 PolarHBondContact O-N 2.99Å; Q325-K334 PolarHBondContact OE1-O 3.46Å
326V86.1Confident83.1Confident28 Ų2860.5 Ų60.517%0.1733%0.334CS..Hα-helixtrans-58.7-46.2174.8174.80000110.3I322 A323 S328 G330 H331 L332I322-V326 WeakPolarHBondContact O-CG2 3.3Å; I322-V326 PolarHBondContact O-N 3.15Å; A323-V326 PolarHBondContact O-N 3.29Å; V326-S328 PolarHBondContact O-N 3.5Å; V326-G330 CarbonylContact O-C 3.26Å; V326-G330 VanDerWaalsContact O-CA 3.3Å; V326-G330 WeakPolarHBondContact O-CA 3.31Å; V326-G330 PolarHBondContact O-N 2.9Å; V326-H331 PolarHBondContact O-N 3.23Å; V326-L332 HydrophobicContact CG2-CB 4.02Å; V326-L332 HydrophobicContact CG2-CD1 3.37Å; V326-L332 HydrophobicContact CG2-CG 4.3Å
327K85Confident81.3Confident191 Ų19159.7 Ų59.783%0.8333%0.33SS*.Hα-helixtrans-65.2-37.6178.9-170.5176-179.5179.80112.8A323 I324 Q325A323-K327 PolarHBondContact O-N 3.12Å; A323-K327 VanDerWaalsContact O-N 3.07Å; I324-K327 PolarHBondContact O-N 3.13Å; Q325-K327 VanDerWaalsContact C-N 3.32Å; Q325-K327 PolarHBondContact O-N 3.21Å
328S86.8Confident79.4Confident95 Ų9557.2 Ų57.266%0.66431%0.313SS*.Hα-helixtrans-73.3-37.9179.7-174.20000113I324 Q325 V326I324-S328 WeakPolarHBondContact O-CB 3.21Å; I324-S328 PolarHBondContact O-N 3.26Å; Q325-S328 PolarHBondContact O-N 3.07Å; V326-S328 PolarHBondContact O-N 3.5Å
329N82Confident77.1Confident74 Ų7461.8 Ų61.840%0.39634%0.337SS..Hα-helixtrans-99-6.6-174.2-64.4-13.8000113.1Q325 H331 V333Q325-N329 WeakPolarHBondContact CG-ND2 3.37Å; Q325-N329 WeakPolarHBondContact O-CB 3.38Å; Q325-N329 PolarHBondContact O-N 2.99Å; N329-H331 PolarHBondContact O-N 3.35Å; N329-H331 PolarHBondContact O-ND1 3.46Å; N329-V333 HydrophobicContact CB-CG2 3.59Å; N329-V333 VanDerWaalsContact ND2-CG2 3.32Å; N329-V333 WeakPolarHBondContact ND2-CG2 3.43Å
330G78.8Confident74.7Confident58 Ų5862.1 Ų62.160%0.59834%0.341SS*.SBendtrans72-0.7-174.400000115.1V326V326-G330 CarbonylContact O-C 3.26Å; V326-G330 VanDerWaalsContact O-CA 3.3Å; V326-G330 WeakPolarHBondContact O-CA 3.31Å; V326-G330 PolarHBondContact O-N 2.9Å
331H75.4Confident72.3Confident90 Ų9060.3 Ų60.342%0.41733%0.329SS..SBendtrans-158.4167.5178.865.6-70.8000111.5Q254 V326 N329 V333Q254-H331 HydrophobicContact CG-CB 4.24Å; V326-H331 PolarHBondContact O-N 3.23Å; N329-H331 PolarHBondContact O-N 3.35Å; N329-H331 PolarHBondContact O-ND1 3.46Å; H331-V333 VanDerWaalsContact NE2-CG2 3.35Å; H331-V333 WeakPolarHBondContact NE2-CG2 3.31Å; H331-V333 WeakPolarHBondContact O-CG2 3.19Å; H331-V333 PolarHBondContact O-N 3.24Å; H331-V333 VanDerWaalsContact O-N 3.12Å
332L70.4Confident69.5Low16 Ų1658.8 Ų58.88%0.08433%0.327CS..  trans-79.990.6-177.1-173.671.5000112.3K249 T257 I322 V326K249-L332 HydrophobicContact CD-CD2 3.66Å; K249-L332 HydrophobicContact CD-CG 4.39Å; K249-L332 HydrophobicContact CG-CD2 4.15Å; T257-L332 HydrophobicContact CG2-CD2 3.52Å; I322-L332 HydrophobicContact CG2-CD1 3.34Å; V326-L332 HydrophobicContact CG2-CB 4.02Å; V326-L332 HydrophobicContact CG2-CD1 3.37Å; V326-L332 HydrophobicContact CG2-CG 4.3Å
333V63.6Low66.7Low42 Ų4260.6 Ų60.626%0.25534%0.341SS..  trans-87.9-23.1-171.3-175.30000115.9N329 H331 L342N329-V333 HydrophobicContact CB-CG2 3.59Å; N329-V333 VanDerWaalsContact ND2-CG2 3.32Å; N329-V333 WeakPolarHBondContact ND2-CG2 3.43Å; H331-V333 VanDerWaalsContact NE2-CG2 3.35Å; H331-V333 WeakPolarHBondContact NE2-CG2 3.31Å; H331-V333 WeakPolarHBondContact O-CG2 3.19Å; H331-V333 PolarHBondContact O-N 3.24Å; H331-V333 VanDerWaalsContact O-N 3.12Å; V333-L342 VanDerWaalsContact C-CD1 3.44Å; V333-L342 WeakPolarHBondContact O-CD1 3.37Å
334K63.7Low64.1Low70 Ų7061.3 Ų61.330%0.30434%0.339SS..  trans-163137.2179.7-158.2-174.4168.9-166.60110.9Q325 D339Q325-K334 PolarHBondContact OE1-O 3.46Å; K334-D339 IonicContact NZ-OD1 3.79Å; K334-D339 PolarHBondContact NZ-OD1 3.25Å
335D61Low61.4Low23 Ų2362.5 Ų62.512%0.12334%0.342CS..  trans-78.3119.8156.9-175-11000107.9I322 R337 S338 E341I322-D335 WeakPolarHBondContact CD1-OD1 3.34Å; D335-R337 PolarHBondContact O-N 3.13Å; D335-R337 VanDerWaalsContact OD1-CB 3.31Å; D335-R337 WeakPolarHBondContact OD1-CB 3.49Å; D335-R337 PolarHBondContact OD1-N 3.28Å; D335-S338 CarbonylContact O-C 3.35Å; D335-S338 PolarHBondContact O-N 3.38Å; D335-S338 VanDerWaalsContact O-N 3.08Å; D335-E341 VanDerWaalsContact CB-CD 3.43Å; D335-E341 WeakPolarHBondContact CB-OE1 3.48Å; D335-E341 WeakPolarHBondContact CB-OE2 3.13Å; D335-E341 PolarHBondContact N-OE2 2.69Å
336C61.3Low59.1Low41 Ų4162.4 Ų62.428%0.27735%0.347SS..THydrogen-bonded Turntrans-62.4-19177.665.50000113.5
337R59.5Low56.8Low34 Ų3464.5 Ų64.513%0.12836%0.357CS..THydrogen-bonded Turntrans-78.7-27175.4-62.1171.578171.4-0.4112.3S200 D201 W315 L318 D335S200-R337 WeakPolarHBondContact CB-O 3.5Å; S200-R337 PolarHBondContact N-O 3.39Å; S200-R337 WeakPolarHBondContact OG-CA 3.28Å; S200-R337 PolarHBondContact OG-O 2.88Å; D201-R337 IonicContact OD1-NE 2.64Å; D201-R337 IonicContact OD2-CZ 3.69Å; D201-R337 IonicContact OD2-NE 3.18Å; D201-R337 PolarHBondContact OD2-NE 3.23Å; D201-R337 IonicContact OD2-NH2 3.56Å; D201-R337 PolarHBondContact OD2-NH2 3.32Å; W315-R337 VanDerWaalsContact CD1-CZ 3.46Å; W315-R337 VanDerWaalsContact NE1-NH2 3.1Å; L318-R337 HydrophobicContact CD1-CG 3.63Å; D335-R337 PolarHBondContact O-N 3.13Å; D335-R337 VanDerWaalsContact OD1-CB 3.31Å; D335-R337 WeakPolarHBondContact OD1-CB 3.49Å; D335-R337 PolarHBondContact OD1-N 3.28Å
338S55.2Low54.4Low14 Ų1462.1 Ų62.110%0.09835%0.349CS..  trans-109.192.4-174.4-168.60000109.8D335 S340 E341D335-S338 CarbonylContact O-C 3.35Å; D335-S338 PolarHBondContact O-N 3.38Å; D335-S338 VanDerWaalsContact O-N 3.08Å; S338-S340 PolarHBondContact O-N 3.31Å; S338-S340 PolarHBondContact OG-OG 3.15Å; S338-E341 VanDerWaalsContact CB-CD 3.47Å; S338-E341 WeakPolarHBondContact CB-OE1 3.45Å; S338-E341 PolarHBondContact O-N 2.96Å; S338-E341 VanDerWaalsContact O-N 3.11Å; S338-E341 WeakPolarHBondContact OG-CG 3.19Å; S338-E341 PolarHBondContact OG-OE1 3.33Å
339D47.9Very low52Low113 Ų11360.8 Ų60.860%0.60433%0.334SS*.THydrogen-bonded Turntrans-60.8-11.5171.8-79.7-36.5000113.5K334K334-D339 IonicContact NZ-OD1 3.79Å; K334-D339 PolarHBondContact NZ-OD1 3.25Å
340S44.4Very low49.8Very low21 Ų2159.8 Ų59.815%0.14733%0.33CS..THydrogen-bonded Turntrans-86.3-10177.777.70000114.8K128 S338K128-S340 PolarHBondContact NZ-O 3.07Å; K128-S340 PolarHBondContact NZ-OG 3.48Å; S338-S340 PolarHBondContact O-N 3.31Å; S338-S340 PolarHBondContact OG-OG 3.15Å
341E44.1Very low47.6Very low16 Ų1664.5 Ų64.58%0.07534%0.335CS..SBendtrans-76.8-32.5-152.8-111175.3-130.500117.5K249 D335 S338K249-E341 IonicContact NZ-OE2 2.94Å; K249-E341 PolarHBondContact NZ-OE2 3.49Å; D335-E341 VanDerWaalsContact CB-CD 3.43Å; D335-E341 WeakPolarHBondContact CB-OE1 3.48Å; D335-E341 WeakPolarHBondContact CB-OE2 3.13Å; D335-E341 PolarHBondContact N-OE2 2.69Å; S338-E341 VanDerWaalsContact CB-CD 3.47Å; S338-E341 WeakPolarHBondContact CB-OE1 3.45Å; S338-E341 PolarHBondContact O-N 2.96Å; S338-E341 VanDerWaalsContact O-N 3.11Å; S338-E341 WeakPolarHBondContact OG-CG 3.19Å; S338-E341 PolarHBondContact OG-OE1 3.33Å
342L32.6Very low45.3Very low99 Ų9964.8 Ų64.852%0.51834%0.339SS..SBendtrans-139.691.1-179.9-83.3163.3000111.6V333V333-L342 VanDerWaalsContact C-CD1 3.44Å; V333-L342 WeakPolarHBondContact O-CD1 3.37Å
343S33.8Very low43.4Very low52 Ų5268.8 Ų68.836%0.36436%0.36SS..  trans-144.930.1143.7830000110.6K122 E345K122-S343 PolarHBondContact NZ-OG 3.39Å; S343-E345 PolarHBondContact O-N 2.93Å
344D37.2Very low42.1Very low52 Ų5271.3 Ų71.328%0.27838%0.379SS..  trans-77.157.6168.3-82-17.1000109.2T125 S346T125-D344 PolarHBondContact OG1-OD2 3.04Å; D344-S346 WeakPolarHBondContact CA-OG 3.41Å; D344-S346 WeakPolarHBondContact CB-OG 3.35Å; D344-S346 VanDerWaalsContact CG-OG 3.29Å; D344-S346 PolarHBondContact O-N 3.4Å; D344-S346 PolarHBondContact OD1-OG 2.94Å
345E33.7Very low40.7Very low134 Ų13474.2 Ų74.263%0.62640%0.397SS*.THydrogen-bonded Turntrans-59.7-14146-73.2-178162.600109.5S343 N347 Q348 I349S343-E345 PolarHBondContact O-N 2.93Å; E345-N347 VanDerWaalsContact C-N 3.3Å; E345-N347 PolarHBondContact O-N 2.74Å; E345-Q348 CarbonylContact O-C 3.56Å; E345-Q348 PolarHBondContact O-N 3.33Å; E345-Q348 VanDerWaalsContact O-N 3.08Å; E345-I349 HydrophobicContact CB-CD1 3.54Å; E345-I349 HydrophobicContact CB-CG1 4.03Å; E345-I349 WeakPolarHBondContact O-CA 3.26Å; E345-I349 WeakPolarHBondContact O-CB 3.36Å; E345-I349 WeakPolarHBondContact O-CG1 3.32Å; E345-I349 PolarHBondContact O-N 3.22Å
346S39.2Very low39.5Very low47 Ų4780.6 Ų80.633%0.32943%0.426SS..Hα-helixtrans-53.5-36.8175.862.20000114.4D344 T350D344-S346 WeakPolarHBondContact CA-OG 3.41Å; D344-S346 WeakPolarHBondContact CB-OG 3.35Å; D344-S346 VanDerWaalsContact CG-OG 3.29Å; D344-S346 PolarHBondContact O-N 3.4Å; D344-S346 PolarHBondContact OD1-OG 2.94Å; S346-T350 WeakPolarHBondContact O-CB 3.32Å; S346-T350 PolarHBondContact O-N 3.49Å; S346-T350 PolarHBondContact O-OG1 3.38Å
347N37Very low37.9Very low72 Ų7281.5 Ų81.539%0.38544%0.442SS..Hα-helixtrans-77.7-27.7177.6-80.2-22000113.1E345E345-N347 VanDerWaalsContact C-N 3.3Å; E345-N347 PolarHBondContact O-N 2.74Å
348Q35.6Very low36.6Very low141 Ų14186 Ų8666%0.65947%0.474SS*.Hα-helixtrans-82.1-40.3171.9-71.1-169200111.9E345 K351 L352E345-Q348 CarbonylContact O-C 3.56Å; E345-Q348 PolarHBondContact O-N 3.33Å; E345-Q348 VanDerWaalsContact O-N 3.08Å; Q348-K351 WeakPolarHBondContact O-CA 3.42Å; Q348-K351 WeakPolarHBondContact O-CB 3.3Å; Q348-K351 PolarHBondContact O-N 3.45Å; Q348-K351 VanDerWaalsContact O-N 3.1Å; Q348-L352 PolarHBondContact O-N 2.75Å
349I34.6Very low35.6Very low67 Ų6792.8 Ų92.834%0.34451%0.509SS..Hα-helixtrans-63.7-39.6174.7-68.1168.7000109.9E345 K351 L352 D353E345-I349 HydrophobicContact CB-CD1 3.54Å; E345-I349 HydrophobicContact CB-CG1 4.03Å; E345-I349 WeakPolarHBondContact O-CA 3.26Å; E345-I349 WeakPolarHBondContact O-CB 3.36Å; E345-I349 WeakPolarHBondContact O-CG1 3.32Å; E345-I349 PolarHBondContact O-N 3.22Å; I349-K351 PolarHBondContact O-N 3.4Å; I349-L352 CarbonylContact O-C 3.54Å; I349-L352 PolarHBondContact O-N 3.36Å; I349-D353 WeakPolarHBondContact CG2-OD2 3.47Å; I349-D353 WeakPolarHBondContact O-CA 3.23Å; I349-D353 WeakPolarHBondContact O-CB 3.33Å; I349-D353 PolarHBondContact O-N 2.87Å
350T37.3Very low34.7Very low53 Ų5393.1 Ų93.133%0.32552%0.519SS..Hα-helixtrans-64.1-31.4174.7-530000111.6S346 S354S346-T350 WeakPolarHBondContact O-CB 3.32Å; S346-T350 PolarHBondContact O-N 3.49Å; S346-T350 PolarHBondContact O-OG1 3.38Å; T350-S354 WeakPolarHBondContact O-CB 3.44Å; T350-S354 PolarHBondContact O-N 3.18Å; T350-S354 PolarHBondContact O-OG 2.74Å; T350-S354 VanDerWaalsContact O-OG 3.05Å
351K31.8Very low33.8Very low158 Ų158102.9 Ų102.969%0.68755%0.554SS**Hα-helixtrans-71.5-43.5174.1-126.8176.2-177.7179.70111.3Q348 I349 S354 I355Q348-K351 WeakPolarHBondContact O-CA 3.42Å; Q348-K351 WeakPolarHBondContact O-CB 3.3Å; Q348-K351 PolarHBondContact O-N 3.45Å; Q348-K351 VanDerWaalsContact O-N 3.1Å; I349-K351 PolarHBondContact O-N 3.4Å; K351-S354 PolarHBondContact O-OG 2.93Å; K351-I355 WeakPolarHBondContact O-CD1 3.41Å; K351-I355 VanDerWaalsContact O-CG1 3.26Å; K351-I355 WeakPolarHBondContact O-CG1 3.39Å; K351-I355 PolarHBondContact O-N 3.21Å
352L28Very low32.9Very low96 Ų96109.5 Ų109.550%0.50359%0.59SS.*Hα-helixtrans-71.6-43.1177.6-85.3148.6000113.3Q348 I349 I355 Q356Q348-L352 PolarHBondContact O-N 2.75Å; I349-L352 CarbonylContact O-C 3.54Å; I349-L352 PolarHBondContact O-N 3.36Å; L352-I355 CarbonylContact O-C 3.58Å; L352-I355 WeakPolarHBondContact O-CA 3.45Å; L352-I355 WeakPolarHBondContact O-CB 3.41Å; L352-I355 PolarHBondContact O-N 3.46Å; L352-Q356 PolarHBondContact O-N 3.3Å
353D29.8Very low32.5Very low99 Ų99111.7 Ų111.753%0.52960%0.602SS.*Hα-helixtrans-68.6-31.2175.5-74.6-7.9000111.6I349 I355 Q356 G357I349-D353 WeakPolarHBondContact CG2-OD2 3.47Å; I349-D353 WeakPolarHBondContact O-CA 3.23Å; I349-D353 WeakPolarHBondContact O-CB 3.33Å; I349-D353 PolarHBondContact O-N 2.87Å; D353-I355 PolarHBondContact O-N 2.99Å; D353-Q356 PolarHBondContact O-N 3.38Å; D353-G357 WeakPolarHBondContact O-CA 3.3Å; D353-G357 PolarHBondContact O-N 2.92Å
354S36.4Very low32.1Very low95 Ų95115.7 Ų115.766%0.66462%0.619SS**Hα-helixtrans-67.9-21.7170.367.10000113T350 K351T350-S354 WeakPolarHBondContact O-CB 3.44Å; T350-S354 PolarHBondContact O-N 3.18Å; T350-S354 PolarHBondContact O-OG 2.74Å; T350-S354 VanDerWaalsContact O-OG 3.05Å; K351-S354 PolarHBondContact O-OG 2.93Å
355I34.1Very low31.5Very low131 Ų131123.8 Ų123.867%0.67265%0.648SS**Hα-helixtrans-91.1-27.8177.8-65.6167000111.3K351 L352 D353K351-I355 WeakPolarHBondContact O-CD1 3.41Å; K351-I355 VanDerWaalsContact O-CG1 3.26Å; K351-I355 WeakPolarHBondContact O-CG1 3.39Å; K351-I355 PolarHBondContact O-N 3.21Å; L352-I355 CarbonylContact O-C 3.58Å; L352-I355 WeakPolarHBondContact O-CA 3.45Å; L352-I355 WeakPolarHBondContact O-CB 3.41Å; L352-I355 PolarHBondContact O-N 3.46Å; D353-I355 PolarHBondContact O-N 2.99Å
356Q36.1Very low31.2Very low157 Ų157125.2 Ų125.273%0.73465%0.654SS**Hα-helixtrans-118.7-2-175.4-68.5-171-19.600115.7L352 D353 T358L352-Q356 PolarHBondContact O-N 3.3Å; D353-Q356 PolarHBondContact O-N 3.38Å; Q356-T358 PolarHBondContact O-N 3.05Å
357G27.9Very low30.8Very low60 Ų60130.8 Ų130.862%0.61968%0.675SS**THydrogen-bonded Turntrans-95.759.4-172.900000115.1D353D353-G357 WeakPolarHBondContact O-CA 3.3Å; D353-G357 PolarHBondContact O-N 2.92Å
358T32.6Very low30.2Very low129 Ų129135.2 Ų135.279%0.79170%0.696SS**THydrogen-bonded Turntrans-109.3-0.9164.2-230000114Q356Q356-T358 PolarHBondContact O-N 3.05Å
359N32.6Very low29.8Very low157 Ų157134.5 Ų134.584%0.8470%0.697SS**SBendtrans-13521.9-169.3-85.5-23.1000118.1
360C29.3Very low29.5Very low120 Ų120139.5 Ų139.581%0.81172%0.719SS**SBendtrans-146.251.7174.5-103.90000114.9
361Y26.4Very low28.8Very low226 Ų226143 Ų14389%0.88674%0.741SS**  trans-144.569.1159.2-94.1-84.7000109.7
362N24Very low28.4Very low154 Ų154140.6 Ų140.682%0.82474%0.743SS**  trans-146.180.2159.4-112.9-3.5000107.2
363N25.2Very low28.2Very low145 Ų145143 Ų14378%0.77576%0.756SS**  trans-145.684.9162.4-92.3-30.2000107.8Y365N363-Y365 PolarHBondContact O-N 2.81Å
364N24.9Very low27.9Very low136 Ų136147.3 Ų147.373%0.72777%0.77SS**  trans3084.8138.3-64.3-23.1000116H366N364-H366 PolarHBondContact O-N 3.24Å
365Y25.2Very low27.3Very low222 Ų222147.8 Ų147.887%0.87177%0.773SS**  trans-89.470.9145.8-77.3-87.6000108N363N363-Y365 PolarHBondContact O-N 2.81Å
366H27.5Very low26.6Very low164 Ų164148.5 Ų148.576%0.75978%0.779SS**  trans-84.8118.5161.3-99.8-79.2000108.3N364 I368N364-H366 PolarHBondContact O-N 3.24Å; H366-I368 PolarHBondContact O-N 3.04Å
367H29.9Very low26.1Very low165 Ų165148.5 Ų148.576%0.76478%0.784SS**  trans-25.7115166.2-106.3-95000113.5N369H367-N369 VanDerWaalsContact C-N 3.31Å; H367-N369 PolarHBondContact O-N 3.04Å
368I24.8Very low25.8Very low164 Ų164152.9 Ų152.984%0.84179%0.793SS**  trans-76.992.5153.5-61.9171.8000105.4H366H366-I368 PolarHBondContact O-N 3.04Å
369N27.3Very low25.4Very low126 Ų126153 Ų15367%0.67479%0.794SS**  trans-141.8107.9151.9-93.7-14.5000107.8H367H367-N369 VanDerWaalsContact C-N 3.31Å; H367-N369 PolarHBondContact O-N 3.04Å
370Q27.7Very low24.9Very low173 Ų173150.9 Ų150.981%0.80879%0.791SS**  trans38.1106146.5-74.1174.2-16.400118.9
371T23Very low24.6Very low126 Ų126152.7 Ų152.777%0.77379%0.791SS**  trans50.2110.6130.148.50000119.8
372S23.2Very low24.4Very low107 Ų107148.7 Ų148.775%0.74879%0.785SS**  96.7123127.979.20000119.6
373L24.7Very low24.5Very low148 Ų148147.8 Ų147.878%0.77578%0.78SS**  trans93.797.7149.8-61.1167000120.6
374K22.4Very low24.4Very low188 Ų188148 Ų14882%0.81778%0.781SS**  76.2135.2122.4-81.8-175.7175.7-179.60122.8
375S23.7Very low24.7Very low105 Ų105147.7 Ų147.773%0.73478%0.779SS**  trans82.6106.2148.747.60000121.3
376N20.4Very low24.8Very low147 Ų147144.4 Ų144.479%0.78678%0.777SS**  23.3126.9127.1-56.5-1.1000119.5
377D25.3Very low24.9Very low156 Ų156142.1 Ų142.183%0.83477%0.774SS**  -177.2152.8101.2-86.2-23.7000111.2
378D21Very low25.1Very low153 Ų153136.2 Ų136.282%0.81875%0.752SS**  trans-60.8152.3-174.5-60.7-57.4000115.2
379V25.5Very low25.5Very low132 Ų132133.5 Ų133.580%0.874%0.739SS**  trans-169128.3131.6164.60000110.4I381V379-I381 HydrophobicContact CG1-CG1 4.23Å
380S21.4Very low25.7Very low111 Ų111133.8 Ų133.878%0.77674%0.739SS**  trans-84.2135.2169.951.10000113
381I24.4Very low26Very low158 Ų158130.5 Ų130.581%0.8173%0.726SS**  trans-144.1126.2160.2-66.1-173.4000111.7V379V379-I381 HydrophobicContact CG1-CG1 4.23Å
382N21.4Very low26.8Very low142 Ų142128 Ų12876%0.75971%0.708SS**  trans-70.1147163.9-96.6-25.9000112.2
383N25Very low27.6Very low136 Ų136127.5 Ų127.573%0.72770%0.697SS**  171131.9123.5-90-22.4000115.2
384N24.9Very low28.3Very low150 Ų150125.2 Ų125.280%0.80269%0.686SS**  trans18110.6142.4-62.4-18.1000120.4
385N30.3Very low29.2Very low129 Ų129122.3 Ų122.369%0.6968%0.675SS**  trans-11998.6165.4-74.2-27.7000110.4
386N28.2Very low30.1Very low153 Ų153119.3 Ų119.382%0.81865%0.65SS**SBendtrans-127.614.7162.5-96.3-8.2000112.5
387T27.9Very low31.3Very low115 Ų115113.6 Ų113.671%0.70662%0.62SS**SBendtrans-111.6-5176.6-5.10000112.8
388S35.4Very low31.9Very low41 Ų41111.3 Ų111.329%0.28761%0.607SS.*Hα-helixtrans-79.3-21.7-178.446.20000114.2I390 N392S388-I390 PolarHBondContact O-N 2.69Å; S388-N392 VanDerWaalsContact O-CB 3.27Å; S388-N392 WeakPolarHBondContact O-CB 3.34Å; S388-N392 PolarHBondContact O-N 2.8Å; S388-N392 VanDerWaalsContact O-N 3.15Å; S388-N392 PolarHBondContact O-ND2 2.82Å
389D32.3Very low32.8Very low107 Ų107107.8 Ų107.857%0.57259%0.586SS**Hα-helixtrans-74.8-24.8-172.1-74.7-13.4000114.5N393D389-N393 PolarHBondContact O-ND2 3.34Å
390I31.1Very low33.7Very low133 Ų133102.5 Ų102.568%0.68255%0.554SS**Hα-helixtrans-83.5-45.5178.9-60.4175.9000110.4S388 N392 N393S388-I390 PolarHBondContact O-N 2.69Å; I390-N392 VanDerWaalsContact C-N 3.31Å; I390-N392 PolarHBondContact O-N 3.43Å; I390-N393 PolarHBondContact O-N 2.85Å; I390-N393 VanDerWaalsContact O-N 3.15Å
391I35.3Very low34.8Very low104 Ų10498.7 Ų98.753%0.53352%0.523SS..Hα-helixtrans-64.7-37.9179.7-60.6173.8000110.9N393 D394 E395I391-N393 PolarHBondContact O-N 3.01Å; I391-D394 PolarHBondContact O-N 2.82Å; I391-E395 PolarHBondContact O-N 2.86Å
392N38.8Very low35.3Very low73 Ų7395.4 Ų95.439%0.3951%0.505SS..Hα-helixtrans-63.4-28.2177-80.5-29.8000113.1S388 I390 N396S388-N392 VanDerWaalsContact O-CB 3.27Å; S388-N392 WeakPolarHBondContact O-CB 3.34Å; S388-N392 PolarHBondContact O-N 2.8Å; S388-N392 VanDerWaalsContact O-N 3.15Å; S388-N392 PolarHBondContact O-ND2 2.82Å; I390-N392 VanDerWaalsContact C-N 3.31Å; I390-N392 PolarHBondContact O-N 3.43Å; N392-N396 WeakPolarHBondContact O-CB 3.33Å; N392-N396 PolarHBondContact O-N 2.95Å; N392-N396 PolarHBondContact O-ND2 3.26Å
393N39.8Very low36Very low97 Ų9794.4 Ų94.452%0.51949%0.49SS..Hα-helixtrans-74.2-38.7179.5-77.7-29.7000112.1D389 I390 I391 N396 L397D389-N393 PolarHBondContact O-ND2 3.34Å; I390-N393 PolarHBondContact O-N 2.85Å; I390-N393 VanDerWaalsContact O-N 3.15Å; I391-N393 PolarHBondContact O-N 3.01Å; N393-N396 PolarHBondContact O-N 3.26Å; N393-L397 WeakPolarHBondContact O-CB 3.33Å; N393-L397 WeakPolarHBondContact O-CD1 3.19Å; N393-L397 WeakPolarHBondContact O-CG 3.39Å; N393-L397 PolarHBondContact O-N 3.45Å
394D40Very low36.5Very low100 Ų10090.5 Ų90.554%0.53547%0.473SS..Hα-helixtrans-68.7-39.3176.7-76.3-17000112.1I391 L397 N398I391-D394 PolarHBondContact O-N 2.82Å; D394-L397 WeakPolarHBondContact O-CB 3.26Å; D394-L397 PolarHBondContact O-N 2.69Å; D394-N398 PolarHBondContact O-N 3.15Å; D394-N398 VanDerWaalsContact O-N 3.09Å
395E41.2Very low36.8Very low127 Ų12787.1 Ų87.159%0.59346%0.456SS*.Hα-helixtrans-67-40172.8-73.1-169.9166.900112I391 N398 H399I391-E395 PolarHBondContact O-N 2.86Å; E395-N398 PolarHBondContact O-N 2.81Å; E395-H399 VanDerWaalsContact O-CB 3.31Å; E395-H399 WeakPolarHBondContact O-CB 3.15Å; E395-H399 PolarHBondContact O-N 2.86Å
396N43.6Very low36.6Very low41 Ų4186.9 Ų86.922%0.21945%0.45CS..Hα-helixtrans-66.2-36.3175.6-78.6-43.9000112.5I72 N392 N393 H399 V400I72-N396 VanDerWaalsContact CD1-OD1 3.23Å; I72-N396 WeakPolarHBondContact CD1-OD1 3.16Å; N392-N396 WeakPolarHBondContact O-CB 3.33Å; N392-N396 PolarHBondContact O-N 2.95Å; N392-N396 PolarHBondContact O-ND2 3.26Å; N393-N396 PolarHBondContact O-N 3.26Å; N396-H399 PolarHBondContact O-N 3.34Å; N396-V400 WeakPolarHBondContact O-CB 3.36Å; N396-V400 VanDerWaalsContact O-CG2 3.24Å; N396-V400 WeakPolarHBondContact O-CG2 3.17Å; N396-V400 PolarHBondContact O-N 2.9Å
397L43.6Very low36.8Very low27 Ų2785.4 Ų85.414%0.14145%0.45CS..Hα-helixtrans-57.6-54.8172.1-93.5152.8000110.2I59 F69 N393 D394 H399 F401I59-L397 HydrophobicContact CD1-CD2 3.93Å; I59-L397 HydrophobicContact CG2-CD2 4.29Å; F69-L397 HydrophobicContact CD2-CD2 4.49Å; F69-L397 HydrophobicContact CD2-CG 4.39Å; F69-L397 HydrophobicContact CE1-CD2 4.04Å; F69-L397 HydrophobicContact CE2-CD2 3.6Å; F69-L397 HydrophobicContact CE2-CG 3.91Å; F69-L397 HydrophobicContact CZ-CD2 3.34Å; F69-L397 HydrophobicContact CZ-CG 4.09Å; N393-L397 WeakPolarHBondContact O-CB 3.33Å; N393-L397 WeakPolarHBondContact O-CD1 3.19Å; N393-L397 WeakPolarHBondContact O-CG 3.39Å; N393-L397 PolarHBondContact O-N 3.45Å; D394-L397 WeakPolarHBondContact O-CB 3.26Å; D394-L397 PolarHBondContact O-N 2.69Å; L397-H399 VanDerWaalsContact C-N 3.3Å; L397-H399 PolarHBondContact O-N 3.38Å; L397-F401 HydrophobicContact CD2-CD2 4.47Å; L397-F401 HydrophobicContact CD2-CE2 4.05Å; L397-F401 WeakPolarHBondContact O-CD2 3.33Å; L397-F401 PolarHBondContact O-N 3.44Å
398N38.4Very low36.8Very low108 Ų10884.4 Ų84.458%0.57844%0.439SS*.Hα-helixtrans-60.8-38.6177.9-78.5-33.4000111.8D394 E395 Q402D394-N398 PolarHBondContact O-N 3.15Å; D394-N398 VanDerWaalsContact O-N 3.09Å; E395-N398 PolarHBondContact O-N 2.81Å; N398-Q402 WeakPolarHBondContact O-CA 3.4Å; N398-Q402 WeakPolarHBondContact O-CB 3.4Å; N398-Q402 WeakPolarHBondContact O-CG 3.48Å; N398-Q402 PolarHBondContact O-N 2.91Å
399H41.1Very low36.5Very low80 Ų8094.5 Ų94.537%0.3748%0.482SS..Hα-helixtrans-81.4-30.9-174.3-146.2-50.2000114.5I72 E395 N396 L397 R403I72-H399 HydrophobicContact CD1-CB 4.22Å; E395-H399 VanDerWaalsContact O-CB 3.31Å; E395-H399 WeakPolarHBondContact O-CB 3.15Å; E395-H399 PolarHBondContact O-N 2.86Å; N396-H399 PolarHBondContact O-N 3.34Å; L397-H399 VanDerWaalsContact C-N 3.3Å; L397-H399 PolarHBondContact O-N 3.38Å; H399-R403 WeakPolarHBondContact O-CB 3.07Å; H399-R403 WeakPolarHBondContact O-CG 3.44Å; H399-R403 PolarHBondContact O-N 3.23Å
400V44Very low36.8Very low21 Ų2193.9 Ų93.913%0.12748%0.477CS..Hα-helixtrans-68.8-40.9172.7170.90000110F69 P124 V127 N396 R403 S404F69-V400 HydrophobicContact CD1-CG1 4.44Å; P124-V400 HydrophobicContact CG-CG1 3.97Å; V127-V400 HydrophobicContact CG2-CG1 4.27Å; N396-V400 WeakPolarHBondContact O-CB 3.36Å; N396-V400 VanDerWaalsContact O-CG2 3.24Å; N396-V400 WeakPolarHBondContact O-CG2 3.17Å; N396-V400 PolarHBondContact O-N 2.9Å; V400-R403 PolarHBondContact O-N 3.46Å; V400-S404 PolarHBondContact O-N 3.21Å
401F43.2Very low37.1Very low30 Ų3091.8 Ų91.813%0.13247%0.466CS..Hα-helixtrans-79.2-32175.6-71.5-64.9000113K54 I59 F69 V127 L397 R403 S404 N405K54-F401 VanDerWaalsContact CE-CE1 3.41Å; K54-F401 VanDerWaalsContact CE-CZ 3.42Å; I59-F401 HydrophobicContact CD1-CE2 4Å; I59-F401 HydrophobicContact CD1-CZ 4.27Å; F69-F401 AromaticContact CE1-CE2 3.95Å; F69-F401 HydrophobicContact CE1-CE2 3.95Å; F69-F401 HydrophobicContact CE1-CZ 4.29Å; F69-F401 HydrophobicContact CZ-CE2 4.31Å; V127-F401 HydrophobicContact CG1-CE1 4.37Å; V127-F401 HydrophobicContact CG2-CE1 4.04Å; V127-F401 HydrophobicContact CG2-CZ 4.22Å; L397-F401 HydrophobicContact CD2-CD2 4.47Å; L397-F401 HydrophobicContact CD2-CE2 4.05Å; L397-F401 WeakPolarHBondContact O-CD2 3.33Å; L397-F401 PolarHBondContact O-N 3.44Å; F401-R403 PolarHBondContact O-N 2.92Å; F401-S404 WeakPolarHBondContact CA-OG 3.48Å; F401-S404 PolarHBondContact O-N 3.01Å; F401-S404 PolarHBondContact O-OG 3.41Å; F401-N405 PolarHBondContact O-N 3.09Å
402Q34.8Very low37.2Very low90 Ų9091.1 Ų91.142%0.42146%0.463SS..Hα-helixtrans-65.2-27.3166.9-83.6-179.5-7.400111N398 N405 H406N398-Q402 WeakPolarHBondContact O-CA 3.4Å; N398-Q402 WeakPolarHBondContact O-CB 3.4Å; N398-Q402 WeakPolarHBondContact O-CG 3.48Å; N398-Q402 PolarHBondContact O-N 2.91Å; Q402-N405 CarbonylContact O-C 3.59Å; Q402-N405 PolarHBondContact O-N 3.38Å; Q402-H406 WeakPolarHBondContact O-CA 3.32Å; Q402-H406 WeakPolarHBondContact O-CB 3.48Å; Q402-H406 PolarHBondContact O-N 3.42Å
403R37.6Very low37.1Very low121 Ų12192.2 Ų92.246%0.45747%0.467SS..Hα-helixtrans-76.3-28.6171.4-84-176.4178.1-174.43113.6H399 V400 F401 H406H399-R403 WeakPolarHBondContact O-CB 3.07Å; H399-R403 WeakPolarHBondContact O-CG 3.44Å; H399-R403 PolarHBondContact O-N 3.23Å; V400-R403 PolarHBondContact O-N 3.46Å; F401-R403 PolarHBondContact O-N 2.92Å; R403-H406 PolarHBondContact O-N 3.07Å
404S35.4Very low36.9Very low53 Ų5391.9 Ų91.937%0.37146%0.464SS..Hα-helixtrans-66.6-29.4163.652.70000111.9V400 F401V400-S404 PolarHBondContact O-N 3.21Å; F401-S404 WeakPolarHBondContact CA-OG 3.48Å; F401-S404 PolarHBondContact O-N 3.01Å; F401-S404 PolarHBondContact O-OG 3.41Å
405N30.4Very low36.7Very low80 Ų8091.3 Ų91.343%0.42846%0.459SS..Hα-helixtrans-83.5-31.2172.1-66.8-14.3000113.1F401 Q402 C407 I408F401-N405 PolarHBondContact O-N 3.09Å; Q402-N405 CarbonylContact O-C 3.59Å; Q402-N405 PolarHBondContact O-N 3.38Å; N405-C407 VanDerWaalsContact C-N 3.31Å; N405-C407 PolarHBondContact O-N 3.24Å; N405-I408 WeakPolarHBondContact O-CB 3.26Å; N405-I408 WeakPolarHBondContact O-CD1 3.29Å; N405-I408 WeakPolarHBondContact O-CG1 3.38Å; N405-I408 PolarHBondContact O-N 3.19Å
406H26.9Very low36.4Very low124 Ų12488.8 Ų88.857%0.57445%0.449SS*.THydrogen-bonded Turntrans-90.617.2-171.9-91.1-50.9000113.8Q402 R403 I408Q402-H406 WeakPolarHBondContact O-CA 3.32Å; Q402-H406 WeakPolarHBondContact O-CB 3.48Å; Q402-H406 PolarHBondContact O-N 3.42Å; R403-H406 PolarHBondContact O-N 3.07Å; H406-I408 PolarHBondContact O-N 3.4Å
407C31.7Very low35.8Very low121 Ų12192.5 Ų92.582%0.81847%0.467SS*.THydrogen-bonded Turntrans-74.113.6144.9-71.20000111.9N405 H409N405-C407 VanDerWaalsContact C-N 3.31Å; N405-C407 PolarHBondContact O-N 3.24Å; C407-H409 PolarHBondContact O-N 2.61Å
408I27.6Very low35.1Very low94 Ų9497.9 Ų97.948%0.48249%0.494SS..  trans-72.890.6155.4-67.6159.4000108.6N405 H406N405-I408 WeakPolarHBondContact O-CB 3.26Å; N405-I408 WeakPolarHBondContact O-CD1 3.29Å; N405-I408 WeakPolarHBondContact O-CG1 3.38Å; N405-I408 PolarHBondContact O-N 3.19Å; H406-I408 PolarHBondContact O-N 3.4Å
409H30.6Very low34.8Very low253 Ų25397 Ų97100%1.17149%0.486SS*.  -170.60127-102.7-62.1000110.2C407C407-H409 PolarHBondContact O-N 2.61Å

Retrieved 409 of 409 residues in 88.7 ms (Link to these results)

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