G4VTT5_SCHMA Loading...

Vta1 domain-containing protein

AlphaFold DB , UniProt , Accession G4VTT5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 258 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M65.3Low81.3Confident77 Ų7777.1 Ų77.138%0.37941%0.409SS..  0127.10-152.5167.6-143.500108.4F3 T31 L35 K62 L66M1-F3 HydrophobicContact CB-CE2 4.27Å; M1-F3 HydrophobicContact CB-CZ 4.49Å; M1-F3 HydrophobicContact CG-CE2 3.96Å; M1-F3 HydrophobicContact CG-CZ 3.7Å; M1-F3 HydrophobicContact SD-CE2 4.15Å; M1-F3 HydrophobicContact SD-CZ 3.65Å; M1-T31 HydrophobicContact CE-CG2 4.29Å; M1-T31 HydrophobicContact SD-CG2 3.84Å; M1-L35 HydrophobicContact CE-CD1 3.4Å; M1-L35 VanDerWaalsContact CE-CD1 3.4Å; M1-L35 HydrophobicContact SD-CD1 3.71Å; M1-K62 HydrophobicContact CE-CB 4.11Å; M1-K62 HydrophobicContact CE-CD 4.08Å; M1-K62 HydrophobicContact CE-CG 4.22Å; M1-L66 HydrophobicContact CE-CD1 4.02Å; M1-L66 HydrophobicContact CE-CG 4.5Å
2N67.1Low82.1Confident120 Ų12076.3 Ų76.364%0.64240%0.401SS*.  trans-113.6132-177.7-159.5-4.8000111.4S4 K62N2-S4 PolarHBondContact ND2-OG 2.82Å; N2-S4 VanDerWaalsContact ND2-OG 3.07Å; N2-S4 PolarHBondContact OD1-N 2.99Å; N2-S4 PolarHBondContact OD1-OG 3.11Å; N2-K62 PolarHBondContact O-NZ 3.24Å
3F76.7Confident83Confident29 Ų2970.5 Ų70.513%0.12737%0.371CS..  trans-12049.9179.2-59.8-75.7000110.1M1 N5 V6 L17 L35 F55 L59 K62M1-F3 HydrophobicContact CB-CE2 4.27Å; M1-F3 HydrophobicContact CB-CZ 4.49Å; M1-F3 HydrophobicContact CG-CE2 3.96Å; M1-F3 HydrophobicContact CG-CZ 3.7Å; M1-F3 HydrophobicContact SD-CE2 4.15Å; M1-F3 HydrophobicContact SD-CZ 3.65Å; F3-N5 PolarHBondContact O-N 3.17Å; F3-V6 HydrophobicContact CB-CG2 4.11Å; F3-V6 WeakPolarHBondContact O-CG2 3.4Å; F3-L17 HydrophobicContact CB-CD1 4.32Å; F3-L17 HydrophobicContact CD1-CD2 3.96Å; F3-L17 HydrophobicContact CD2-CB 3.8Å; F3-L17 HydrophobicContact CD2-CD2 4.3Å; F3-L17 HydrophobicContact CD2-CG 4.45Å; F3-L17 HydrophobicContact CE1-CD2 3.86Å; F3-L17 HydrophobicContact CE2-CB 4.05Å; F3-L17 HydrophobicContact CE2-CD2 4.2Å; F3-L17 HydrophobicContact CG-CB 4.24Å; F3-L17 HydrophobicContact CG-CD1 4.25Å; F3-L17 HydrophobicContact CG-CD2 4.21Å; F3-L17 HydrophobicContact CG-CG 4.46Å; F3-L17 HydrophobicContact CZ-CD2 4.01Å; F3-L35 HydrophobicContact CE1-CD2 3.87Å; F3-L35 HydrophobicContact CE2-CD2 4.22Å; F3-L35 HydrophobicContact CZ-CD2 3.36Å; F3-F55 HydrophobicContact CD1-CE2 4.48Å; F3-L59 HydrophobicContact CD1-CD2 4.13Å; F3-L59 HydrophobicContact CE1-CD2 3.65Å; F3-K62 VanDerWaalsContact CD1-NZ 3.29Å; F3-K62 HydrophobicContact CE1-CD 3.79Å; F3-K62 HydrophobicContact CZ-CD 4.4Å
4S65.7Low83.7Confident85 Ų8568.4 Ų68.459%0.59436%0.36SS*.THydrogen-bonded Turntrans-58.5-16.6-166-44.70000116.1N2N2-S4 PolarHBondContact ND2-OG 2.82Å; N2-S4 VanDerWaalsContact ND2-OG 3.07Å; N2-S4 PolarHBondContact OD1-N 2.99Å; N2-S4 PolarHBondContact OD1-OG 3.11Å
5N78.3Confident84.4Confident141 Ų14164.1 Ų64.175%0.75434%0.337SS*.THydrogen-bonded Turntrans-133.161.3-174-71.9-27.7000111.8F3 P7 F55F3-N5 PolarHBondContact O-N 3.17Å; N5-P7 VanDerWaalsContact O-CD 3.31Å; N5-P7 WeakPolarHBondContact O-CD 3.45Å; N5-F55 WeakPolarHBondContact O-CD2 3.48Å
6V88.4Confident85.1Confident33 Ų3360.4 Ų60.420%0.232%0.318CS..  trans-73.7119.8168.9-173.40000108.5F3 L10 N14 L17 F55F3-V6 HydrophobicContact CB-CG2 4.11Å; F3-V6 WeakPolarHBondContact O-CG2 3.4Å; V6-L10 HydrophobicContact CG1-CB 3.91Å; V6-L10 WeakPolarHBondContact CG1-O 3.28Å; V6-N14 WeakPolarHBondContact CG2-OD1 3.45Å; V6-L17 HydrophobicContact CG1-CD1 4.38Å; V6-L17 HydrophobicContact CG2-CD1 3.56Å; V6-F55 HydrophobicContact CB-CE2 4.35Å; V6-F55 HydrophobicContact CB-CZ 4.47Å; V6-F55 HydrophobicContact CG1-CZ 4.28Å; V6-F55 HydrophobicContact CG2-CE2 3.79Å; V6-F55 HydrophobicContact CG2-CZ 3.9Å
7P90.1Very high85.7Confident15 Ų1557.1 Ų57.110%0.09730%0.3CS..  trans-54.5144.5173.4-25.134.7000111.3N5 E9 L10 S11 P51 I52 F55N5-P7 VanDerWaalsContact O-CD 3.31Å; N5-P7 WeakPolarHBondContact O-CD 3.45Å; P7-E9 WeakPolarHBondContact CB-OE2 3.5Å; P7-E9 PolarHBondContact O-N 3.05Å; P7-E9 VanDerWaalsContact O-N 3.16Å; P7-L10 HydrophobicContact CB-CG 4.41Å; P7-L10 HydrophobicContact CG-CD1 4.22Å; P7-L10 CarbonylContact O-C 3.43Å; P7-L10 WeakPolarHBondContact O-CA 3.46Å; P7-L10 PolarHBondContact O-N 3.47Å; P7-S11 PolarHBondContact O-N 2.81Å; P7-P51 HydrophobicContact CG-CB 4.4Å; P7-I52 HydrophobicContact CB-CG1 4.08Å; P7-I52 HydrophobicContact CG-CG1 4.2Å; P7-F55 HydrophobicContact CG-CB 4Å; P7-F55 HydrophobicContact CG-CG 4.38Å
8K89.8Confident86.1Confident182 Ų18257.8 Ų57.879%0.79130%0.298SS*.G310 helixtrans-58.8-34.2-175.8-68.6-177.9179.2179.40112L10 S11K8-L10 PolarHBondContact O-N 3.45Å; K8-S11 VanDerWaalsContact O-CB 3.27Å; K8-S11 WeakPolarHBondContact O-CB 3.26Å; K8-S11 PolarHBondContact O-N 2.76Å; K8-S11 VanDerWaalsContact O-N 3.15Å; K8-S11 PolarHBondContact O-OG 3.35Å
9E90.4Very high86.6Confident105 Ų10554.9 Ų54.949%0.49128%0.284SS..G310 helixtrans-62.5-24.9175.6-57.482178.500112.5P7 H12 I52P7-E9 WeakPolarHBondContact CB-OE2 3.5Å; P7-E9 PolarHBondContact O-N 3.05Å; P7-E9 VanDerWaalsContact O-N 3.16Å; E9-H12 PolarHBondContact O-CE1 3.46Å; E9-H12 PolarHBondContact O-ND1 2.89Å; E9-I52 HydrophobicContact CB-CD1 4.13Å; E9-I52 HydrophobicContact CG-CD1 4.44Å
10L91.4Very high87Confident0 Ų052.2 Ų52.20%027%0.27CS..G310 helixtrans-103.513.1178.8-61.6-173.7000113.1V6 P7 K8 H12 L13 I52 F55V6-L10 HydrophobicContact CG1-CB 3.91Å; V6-L10 WeakPolarHBondContact CG1-O 3.28Å; P7-L10 HydrophobicContact CB-CG 4.41Å; P7-L10 HydrophobicContact CG-CD1 4.22Å; P7-L10 CarbonylContact O-C 3.43Å; P7-L10 WeakPolarHBondContact O-CA 3.46Å; P7-L10 PolarHBondContact O-N 3.47Å; K8-L10 PolarHBondContact O-N 3.45Å; L10-H12 PolarHBondContact O-N 2.92Å; L10-H12 VanDerWaalsContact O-N 3.12Å; L10-L13 HydrophobicContact CB-CD1 3.95Å; L10-L13 HydrophobicContact CB-CG 4.2Å; L10-L13 HydrophobicContact CD1-CD1 4.09Å; L10-L13 HydrophobicContact CD2-CD1 4.03Å; L10-L13 HydrophobicContact CG-CD1 4.25Å; L10-L13 VanDerWaalsContact O-CB 3.26Å; L10-L13 WeakPolarHBondContact O-CB 3.4Å; L10-L13 WeakPolarHBondContact O-CG 3.38Å; L10-L13 PolarHBondContact O-N 2.97Å; L10-I52 HydrophobicContact CD1-CG1 4.33Å; L10-I52 HydrophobicContact CD1-CG2 4.2Å; L10-I52 HydrophobicContact CG-CG1 4.37Å; L10-F55 HydrophobicContact CD1-CD1 3.52Å; L10-F55 HydrophobicContact CD1-CE1 4.05Å; L10-F55 HydrophobicContact CD1-CG 4.41Å
11S90.9Very high87.3Confident61 Ų6151.4 Ų51.443%0.42727%0.269SS..G310 helixtrans-55.1-30.6178.1510000113.5P7 K8 L13 N14P7-S11 PolarHBondContact O-N 2.81Å; K8-S11 VanDerWaalsContact O-CB 3.27Å; K8-S11 WeakPolarHBondContact O-CB 3.26Å; K8-S11 PolarHBondContact O-N 2.76Å; K8-S11 VanDerWaalsContact O-N 3.15Å; K8-S11 PolarHBondContact O-OG 3.35Å; S11-L13 PolarHBondContact O-N 2.93Å; S11-N14 VanDerWaalsContact O-CB 3.23Å; S11-N14 WeakPolarHBondContact O-CB 3.38Å; S11-N14 PolarHBondContact O-N 3.38Å; S11-N14 VanDerWaalsContact O-N 3.08Å; S11-N14 PolarHBondContact O-ND2 3.38Å
12H90.8Very high88.6Confident68 Ų6849.6 Ų49.632%0.31526%0.261SS..G310 helixtrans-63.1-19.617467.9-85.2000113.7E9 L10 N14E9-H12 PolarHBondContact O-CE1 3.46Å; E9-H12 PolarHBondContact O-ND1 2.89Å; L10-H12 PolarHBondContact O-N 2.92Å; L10-H12 VanDerWaalsContact O-N 3.12Å; H12-N14 VanDerWaalsContact C-N 3.31Å
13L93.8Very high90Very high0 Ų044.2 Ų44.20%023%0.232CC..G310 helixtrans-77.8-16.9175.5-56.2-174000112.8L10 S11 V15 F16 L17 A38 K41 F55L10-L13 HydrophobicContact CB-CD1 3.95Å; L10-L13 HydrophobicContact CB-CG 4.2Å; L10-L13 HydrophobicContact CD1-CD1 4.09Å; L10-L13 HydrophobicContact CD2-CD1 4.03Å; L10-L13 HydrophobicContact CG-CD1 4.25Å; L10-L13 VanDerWaalsContact O-CB 3.26Å; L10-L13 WeakPolarHBondContact O-CB 3.4Å; L10-L13 WeakPolarHBondContact O-CG 3.38Å; L10-L13 PolarHBondContact O-N 2.97Å; S11-L13 PolarHBondContact O-N 2.93Å; L13-V15 PolarHBondContact O-N 3.05Å; L13-F16 HydrophobicContact CD2-CD2 4.43Å; L13-F16 PolarHBondContact O-N 3.08Å; L13-L17 HydrophobicContact CB-CD1 4.39Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.32Å; L13-L17 VanDerWaalsContact O-N 3.09Å; L13-A38 WeakPolarHBondContact CD1-O 3.39Å; L13-K41 HydrophobicContact CD2-CB 3.58Å; L13-K41 HydrophobicContact CD2-CD 4.29Å; L13-F55 HydrophobicContact CD1-CE1 4.36Å
14N92.9Very high90.7Very high41 Ų4145.2 Ų45.222%0.21924%0.242CC..Hα-helixtrans-54.5-30.2-178.5-75.8-26.5000112.6V6 S11 H12 F16 L17 R18 T178V6-N14 WeakPolarHBondContact CG2-OD1 3.45Å; S11-N14 VanDerWaalsContact O-CB 3.23Å; S11-N14 WeakPolarHBondContact O-CB 3.38Å; S11-N14 PolarHBondContact O-N 3.38Å; S11-N14 VanDerWaalsContact O-N 3.08Å; S11-N14 PolarHBondContact O-ND2 3.38Å; H12-N14 VanDerWaalsContact C-N 3.31Å; N14-F16 PolarHBondContact O-N 3.38Å; N14-L17 PolarHBondContact O-N 2.99Å; N14-R18 WeakPolarHBondContact O-CB 3.43Å; N14-R18 PolarHBondContact O-N 3.21Å; N14-T178 WeakPolarHBondContact CB-OG1 3.42Å
15V94.3Very high91.9Very high4 Ų445.8 Ų45.82%0.02425%0.252CS..Hα-helixtrans-58.7-45.817675.70000112.4L13 C19 L115 T119 I174 T178L13-V15 PolarHBondContact O-N 3.05Å; V15-C19 WeakPolarHBondContact O-CB 3.44Å; V15-C19 PolarHBondContact O-N 3.2Å; V15-L115 HydrophobicContact CG2-CD1 4.16Å; V15-T119 HydrophobicContact CG1-CG2 4.45Å; V15-T119 HydrophobicContact CG2-CG2 4.1Å; V15-T119 VanDerWaalsContact CG2-OG1 3.23Å; V15-T119 WeakPolarHBondContact CG2-OG1 3.43Å; V15-I174 HydrophobicContact CG2-CD1 3.73Å; V15-I174 HydrophobicContact CG2-CG1 3.96Å; V15-T178 HydrophobicContact CB-CG2 4.21Å; V15-T178 HydrophobicContact CG2-CG2 4.09Å
16F95.9Very high92.6Very high5 Ų545.7 Ų45.72%0.02225%0.245CC..Hα-helixtrans-73.8-40.8178.3-55.1-66.1000111.4L13 N14 R18 C19 A20 H37 A38 K41 T119 D122 V123L13-F16 HydrophobicContact CD2-CD2 4.43Å; L13-F16 PolarHBondContact O-N 3.08Å; N14-F16 PolarHBondContact O-N 3.38Å; F16-R18 PolarHBondContact O-N 2.81Å; F16-C19 PolarHBondContact O-N 3.02Å; F16-A20 WeakPolarHBondContact O-CB 3.19Å; F16-A20 PolarHBondContact O-N 3.45Å; F16-H37 AromaticContact CD1-CD2 3.81Å; F16-H37 AromaticContact CE1-CD2 3.37Å; F16-H37 WeakPolarHBondContact CE1-CD2 3.35Å; F16-H37 AromaticContact CE1-NE2 3.96Å; F16-H37 AromaticContact CZ-CD2 3.56Å; F16-H37 AromaticContact CZ-NE2 3.79Å; F16-A38 HydrophobicContact CB-CB 3.87Å; F16-A38 HydrophobicContact CD2-CB 4.49Å; F16-A38 HydrophobicContact CG-CB 4.47Å; F16-K41 HydrophobicContact CD2-CD 4.35Å; F16-K41 HydrophobicContact CE2-CD 3.52Å; F16-K41 HydrophobicContact CZ-CD 4.01Å; F16-T119 HydrophobicContact CD1-CG2 3.43Å; F16-T119 VanDerWaalsContact CD1-CG2 3.43Å; F16-T119 HydrophobicContact CE1-CG2 3.76Å; F16-T119 HydrophobicContact CG-CG2 4.31Å; F16-D122 HydrophobicContact CE1-CB 3.98Å; F16-D122 HydrophobicContact CZ-CB 4.19Å; F16-V123 HydrophobicContact CD1-CG2 3.97Å; F16-V123 HydrophobicContact CE1-CG2 4.13Å
17L95Very high92.9Very high4 Ų444.8 Ų44.82%0.02124%0.239CC..Hα-helixtrans-65.9-39.1-179.6-59.5175.2000112.2F3 V6 L13 N14 S21 L35 A38 F55 L59F3-L17 HydrophobicContact CB-CD1 4.32Å; F3-L17 HydrophobicContact CD1-CD2 3.96Å; F3-L17 HydrophobicContact CD2-CB 3.8Å; F3-L17 HydrophobicContact CD2-CD2 4.3Å; F3-L17 HydrophobicContact CD2-CG 4.45Å; F3-L17 HydrophobicContact CE1-CD2 3.86Å; F3-L17 HydrophobicContact CE2-CB 4.05Å; F3-L17 HydrophobicContact CE2-CD2 4.2Å; F3-L17 HydrophobicContact CG-CB 4.24Å; F3-L17 HydrophobicContact CG-CD1 4.25Å; F3-L17 HydrophobicContact CG-CD2 4.21Å; F3-L17 HydrophobicContact CG-CG 4.46Å; F3-L17 HydrophobicContact CZ-CD2 4.01Å; V6-L17 HydrophobicContact CG1-CD1 4.38Å; V6-L17 HydrophobicContact CG2-CD1 3.56Å; L13-L17 HydrophobicContact CB-CD1 4.39Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.32Å; L13-L17 VanDerWaalsContact O-N 3.09Å; N14-L17 PolarHBondContact O-N 2.99Å; L17-S21 WeakPolarHBondContact O-CB 3.46Å; L17-S21 PolarHBondContact O-N 3Å; L17-L35 HydrophobicContact CD2-CD2 3.81Å; L17-A38 HydrophobicContact CD2-CB 4.13Å; L17-F55 HydrophobicContact CD1-CE1 4.48Å; L17-F55 HydrophobicContact CD1-CZ 3.68Å; L17-F55 HydrophobicContact CD2-CZ 4.42Å; L17-L59 HydrophobicContact CD2-CD2 3.83Å
18R93.1Very high93.1Very high71 Ų7146 Ų4627%0.26825%0.247SC..Hα-helixtrans-64.8-48.4174.3-177.961.3169.7167.73.5110.4N14 F16 A20 S21 D22 T178 N185N14-R18 WeakPolarHBondContact O-CB 3.43Å; N14-R18 PolarHBondContact O-N 3.21Å; F16-R18 PolarHBondContact O-N 2.81Å; R18-A20 VanDerWaalsContact C-N 3.32Å; R18-A20 PolarHBondContact O-N 2.92Å; R18-S21 WeakPolarHBondContact O-CB 3.48Å; R18-S21 PolarHBondContact O-N 3.02Å; R18-S21 VanDerWaalsContact O-N 3.14Å; R18-D22 IonicContact NE-OD2 2.8Å; R18-D22 PolarHBondContact O-N 2.96Å; R18-T178 HydrophobicContact CB-CG2 4.02Å; R18-T178 HydrophobicContact CG-CG2 4.19Å; R18-N185 PolarHBondContact NE-OD1 3.05Å; R18-N185 VanDerWaalsContact NH2-CB 3.32Å; R18-N185 VanDerWaalsContact NH2-CG 3.26Å; R18-N185 PolarHBondContact NH2-O 3.33Å; R18-N185 PolarHBondContact NH2-OD1 3.21Å
19C94.9Very high93.5Very high3 Ų337.6 Ų37.62%0.0221%0.211CC..Hα-helixtrans-59.5-42.9177.1-166.90000111.7V15 F16 S21 D22 H23 T119V15-C19 WeakPolarHBondContact O-CB 3.44Å; V15-C19 PolarHBondContact O-N 3.2Å; F16-C19 PolarHBondContact O-N 3.02Å; C19-S21 PolarHBondContact O-N 3.23Å; C19-D22 PolarHBondContact O-N 2.93Å; C19-H23 PolarHBondContact O-N 2.97Å; C19-H23 PolarHBondContact O-ND1 2.93Å; C19-T119 HydrophobicContact CB-CG2 3.88Å
20A95.8Very high93.8Very high0 Ų032.6 Ų32.60%019%0.187CC..Hα-helixtrans-59.9-45.4174.400000111.9F16 R18 H23 S24 T31 C34 L35F16-A20 WeakPolarHBondContact O-CB 3.19Å; F16-A20 PolarHBondContact O-N 3.45Å; R18-A20 VanDerWaalsContact C-N 3.32Å; R18-A20 PolarHBondContact O-N 2.92Å; A20-H23 PolarHBondContact O-N 3.34Å; A20-S24 WeakPolarHBondContact O-CB 3.35Å; A20-S24 PolarHBondContact O-N 3.08Å; A20-T31 HydrophobicContact CB-CG2 4.15Å; A20-T31 PolarHBondContact O-OG1 3.46Å; A20-C34 HydrophobicContact CB-CB 3.72Å; A20-L35 HydrophobicContact CB-CD2 3.72Å; A20-L35 HydrophobicContact CB-CG 3.87Å
21S93.7Very high94.1Very high36 Ų3632.7 Ų32.725%0.25219%0.188SC..Hα-helixtrans-62.8-43.3177.7-174.40000112.1L17 R18 C19 H23 S24L17-S21 WeakPolarHBondContact O-CB 3.46Å; L17-S21 PolarHBondContact O-N 3Å; R18-S21 WeakPolarHBondContact O-CB 3.48Å; R18-S21 PolarHBondContact O-N 3.02Å; R18-S21 VanDerWaalsContact O-N 3.14Å; C19-S21 PolarHBondContact O-N 3.23Å; S21-H23 PolarHBondContact O-N 3.39Å; S21-S24 PolarHBondContact O-N 3.29Å; S21-S24 PolarHBondContact O-OG 3.1Å
22D92.7Very high94.4Very high39 Ų3930.8 Ų30.821%0.20917%0.172CC..Hα-helixtrans-61-27.7178.4-78.8-37.9000112.7R18 C19 K112R18-D22 IonicContact NE-OD2 2.8Å; R18-D22 PolarHBondContact O-N 2.96Å; C19-D22 PolarHBondContact O-N 2.93Å; D22-K112 VanDerWaalsContact CG-CE 3.42Å; D22-K112 VanDerWaalsContact CG-NZ 3.29Å; D22-K112 IonicContact OD1-NZ 2.85Å; D22-K112 PolarHBondContact OD1-NZ 2.92Å; D22-K112 WeakPolarHBondContact OD2-CE 3.46Å; D22-K112 IonicContact OD2-NZ 3.46Å; D22-K112 PolarHBondContact OD2-NZ 2.97Å
23H94.9Very high94.8Very high7 Ų727.8 Ų27.83%0.03216%0.157CC..Hα-helixtrans-99.7-11.9-179.5-6985.1000114.4C19 A20 S21 A25 K26 N27 I30 T31 Y89C19-H23 PolarHBondContact O-N 2.97Å; C19-H23 PolarHBondContact O-ND1 2.93Å; A20-H23 PolarHBondContact O-N 3.34Å; S21-H23 PolarHBondContact O-N 3.39Å; H23-A25 PolarHBondContact O-N 2.8Å; H23-K26 PolarHBondContact O-N 2.79Å; H23-N27 HydrophobicContact CB-CB 4.36Å; H23-N27 PolarHBondContact O-N 2.9Å; H23-I30 HydrophobicContact CB-CB 4.19Å; H23-I30 HydrophobicContact CB-CG2 3.92Å; H23-T31 VanDerWaalsContact C-OG1 3.28Å; H23-Y89 AromaticContact CD2-CE1 3.85Å; H23-Y89 AromaticContact CD2-CZ 3.82Å; H23-Y89 PolarHBondContact CD2-OH 3.49Å; H23-Y89 AromaticContact NE2-CE1 3.4Å; H23-Y89 WeakPolarHBondContact NE2-CE1 3.33Å; H23-Y89 AromaticContact NE2-CZ 3.53Å; H23-Y89 PolarHBondContact NE2-OH 3.04Å
24S92.1Very high95Very high50 Ų5027.8 Ų27.835%0.3516%0.157SC..THydrogen-bonded Turntrans-56.7-25.2-16860.80000115.8A20 S21 T31A20-S24 WeakPolarHBondContact O-CB 3.35Å; A20-S24 PolarHBondContact O-N 3.08Å; S21-S24 PolarHBondContact O-N 3.29Å; S21-S24 PolarHBondContact O-OG 3.1Å; S24-T31 WeakPolarHBondContact CA-OG1 3.21Å; S24-T31 PolarHBondContact N-OG1 3.04Å
25A91Very high95.2Very high97 Ų9725.8 Ų25.880%0.80215%0.147SC*.THydrogen-bonded Turntrans-88.2-23.317900000114.3H23H23-A25 PolarHBondContact O-N 2.8Å
26K92.3Very high95.3Very high139 Ų13926.9 Ų26.960%0.60415%0.152SC*.THydrogen-bonded Turntrans-122.6-26.8-167.7-63.9-174-178.4-177.10114.4H23H23-K26 PolarHBondContact O-N 2.79Å
27N94.8Very high95.4Very high14 Ų1427 Ų278%0.07515%0.153CC..  trans-140.681.9-172.7-163-27.1000110.5H23 T29 I30 T31 Y85H23-N27 HydrophobicContact CB-CB 4.36Å; H23-N27 PolarHBondContact O-N 2.9Å; N27-T29 PolarHBondContact O-N 3.23Å; N27-I30 HydrophobicContact CB-CB 4.21Å; N27-I30 HydrophobicContact CB-CG1 4.23Å; N27-I30 WeakPolarHBondContact ND2-CG1 3.44Å; N27-I30 PolarHBondContact O-N 2.96Å; N27-I30 WeakPolarHBondContact OD1-CG1 3.42Å; N27-I30 PolarHBondContact OD1-N 3.04Å; N27-T31 PolarHBondContact O-N 2.66Å; N27-T31 VanDerWaalsContact O-N 3.1Å; N27-T31 PolarHBondContact O-OG1 3.22Å; N27-Y85 PolarHBondContact ND2-OH 3.44Å; N27-Y85 VanDerWaalsContact ND2-OH 3.09Å; N27-Y85 PolarHBondContact OD1-OH 3.08Å
28P95.8Very high95.4Very high40 Ų4026.8 Ų26.826%0.2615%0.152SC..Hα-helixtrans-60.4-30.3-178.324.3-33.7000112.5T31 Y32 N70 I76P28-T31 PolarHBondContact O-N 3.22Å; P28-Y32 WeakPolarHBondContact O-CB 3.32Å; P28-Y32 PolarHBondContact O-N 3.07Å; P28-N70 WeakPolarHBondContact CG-OD1 3.44Å; P28-I76 HydrophobicContact CB-CD1 4.17Å
29T96.9Very high95.5Very high6 Ų625 Ų254%0.03715%0.146CC..Hα-helixtrans-62.6-50.2176.2-52.20000111.5N27 T31 Y32 Y33 E75 I76 Y85N27-T29 PolarHBondContact O-N 3.23Å; T29-T31 VanDerWaalsContact C-N 3.33Å; T29-T31 PolarHBondContact O-N 3.06Å; T29-Y32 WeakPolarHBondContact O-CB 3.39Å; T29-Y32 PolarHBondContact O-N 3.49Å; T29-Y33 HydrophobicContact CG2-CD2 3.92Å; T29-Y33 HydrophobicContact CG2-CE2 3.84Å; T29-Y33 VanDerWaalsContact O-CD2 3.27Å; T29-Y33 WeakPolarHBondContact O-CD2 3.22Å; T29-Y33 PolarHBondContact O-N 3.05Å; T29-E75 HydrophobicContact CG2-CB 3.48Å; T29-E75 VanDerWaalsContact CG2-CB 3.48Å; T29-E75 HydrophobicContact CG2-CG 4.38Å; T29-I76 HydrophobicContact CG2-CG1 4.35Å; T29-Y85 HydrophobicContact CG2-CD1 3.48Å; T29-Y85 VanDerWaalsContact CG2-CD1 3.48Å; T29-Y85 HydrophobicContact CG2-CE1 3.62Å; T29-Y85 HydrophobicContact CG2-CG 4.36Å
30I97.8Very high95.6Very high0 Ų028.5 Ų28.50%016%0.162CC..Hα-helixtrans-62.9-42.7176.7-64.9-61.4000110.9H23 N27 Y32 Y33 C34 Y85 V86 Y89 L120H23-I30 HydrophobicContact CB-CB 4.19Å; H23-I30 HydrophobicContact CB-CG2 3.92Å; N27-I30 HydrophobicContact CB-CB 4.21Å; N27-I30 HydrophobicContact CB-CG1 4.23Å; N27-I30 WeakPolarHBondContact ND2-CG1 3.44Å; N27-I30 PolarHBondContact O-N 2.96Å; N27-I30 WeakPolarHBondContact OD1-CG1 3.42Å; N27-I30 PolarHBondContact OD1-N 3.04Å; I30-Y32 VanDerWaalsContact C-N 3.33Å; I30-Y32 PolarHBondContact O-N 3.22Å; I30-Y33 PolarHBondContact O-N 3.41Å; I30-C34 WeakPolarHBondContact O-CB 3.36Å; I30-C34 PolarHBondContact O-N 3.38Å; I30-C34 PolarHBondContact O-SG 2.82Å; I30-C34 VanDerWaalsContact O-SG 3.34Å; I30-Y85 HydrophobicContact CD1-CD1 4.42Å; I30-Y85 HydrophobicContact CD1-CE1 4.13Å; I30-Y85 HydrophobicContact CG1-CE1 4.2Å; I30-V86 HydrophobicContact CD1-CB 4.34Å; I30-V86 HydrophobicContact CD1-CG1 4.29Å; I30-V86 HydrophobicContact CD1-CG2 4.05Å; I30-Y89 HydrophobicContact CD1-CD1 3.38Å; I30-Y89 HydrophobicContact CD1-CE1 4Å; I30-Y89 HydrophobicContact CD1-CG 3.89Å; I30-Y89 HydrophobicContact CG1-CD1 3.63Å; I30-Y89 HydrophobicContact CG1-CE1 3.74Å; I30-Y89 HydrophobicContact CG1-CG 4.18Å; I30-Y89 HydrophobicContact CG2-CE1 4.39Å; I30-L120 HydrophobicContact CD1-CD1 4.29Å; I30-L120 HydrophobicContact CD1-CD2 4.34Å; I30-L120 HydrophobicContact CG2-CD1 4.34Å; I30-L120 HydrophobicContact CG2-CD2 3.69Å
31T97.1Very high95.5Very high1 Ų132.1 Ų32.11%0.00618%0.178CC..Hα-helixtrans-58.2-45.5174.6-61.30000111.6M1 A20 H23 S24 N27 P28 T29 L35 L66M1-T31 HydrophobicContact CE-CG2 4.29Å; M1-T31 HydrophobicContact SD-CG2 3.84Å; A20-T31 HydrophobicContact CB-CG2 4.15Å; A20-T31 PolarHBondContact O-OG1 3.46Å; H23-T31 VanDerWaalsContact C-OG1 3.28Å; S24-T31 WeakPolarHBondContact CA-OG1 3.21Å; S24-T31 PolarHBondContact N-OG1 3.04Å; N27-T31 PolarHBondContact O-N 2.66Å; N27-T31 VanDerWaalsContact O-N 3.1Å; N27-T31 PolarHBondContact O-OG1 3.22Å; P28-T31 PolarHBondContact O-N 3.22Å; T29-T31 VanDerWaalsContact C-N 3.33Å; T29-T31 PolarHBondContact O-N 3.06Å; T31-L35 HydrophobicContact CG2-CD1 4.08Å; T31-L35 VanDerWaalsContact O-CG 3.23Å; T31-L35 WeakPolarHBondContact O-CG 3.42Å; T31-L35 PolarHBondContact O-N 3.09Å; T31-L35 VanDerWaalsContact O-N 3.13Å; T31-L66 HydrophobicContact CG2-CD1 3.93Å
32Y97.8Very high95.4Very high22 Ų2230.4 Ų30.49%0.08617%0.166CC..Hα-helixtrans-59.2-52.4178.4174.5-99.1000111.9P28 T29 I30 C34 L35 L36 L63 L66 K67 I76P28-Y32 WeakPolarHBondContact O-CB 3.32Å; P28-Y32 PolarHBondContact O-N 3.07Å; T29-Y32 WeakPolarHBondContact O-CB 3.39Å; T29-Y32 PolarHBondContact O-N 3.49Å; I30-Y32 VanDerWaalsContact C-N 3.33Å; I30-Y32 PolarHBondContact O-N 3.22Å; Y32-C34 PolarHBondContact O-N 3.45Å; Y32-L35 PolarHBondContact O-N 3.22Å; Y32-L36 HydrophobicContact CE1-CD2 4.02Å; Y32-L36 WeakPolarHBondContact O-CB 3.17Å; Y32-L36 PolarHBondContact O-N 2.9Å; Y32-L63 HydrophobicContact CD2-CD2 3.77Å; Y32-L63 HydrophobicContact CE2-CD2 3.85Å; Y32-L66 HydrophobicContact CD2-CB 4.36Å; Y32-K67 HydrophobicContact CE2-CB 4.26Å; Y32-I76 HydrophobicContact CD1-CG1 4.46Å; Y32-I76 HydrophobicContact CD1-CG2 4.32Å; Y32-I76 HydrophobicContact CD2-CG2 4.2Å; Y32-I76 HydrophobicContact CE1-CG2 4.47Å; Y32-I76 HydrophobicContact CE2-CG2 4.35Å; Y32-I76 HydrophobicContact CG-CG1 4.4Å; Y32-I76 HydrophobicContact CG-CG2 4.18Å
33Y98.2Very high95.4Very high4 Ų432.3 Ų32.32%0.01618%0.176CC..Hα-helixtrans-68.3-35.3-177.3-78.4-72.3000113.7T29 I30 L35 L36 H37 E75 E79 G82 I83 V86T29-Y33 HydrophobicContact CG2-CD2 3.92Å; T29-Y33 HydrophobicContact CG2-CE2 3.84Å; T29-Y33 VanDerWaalsContact O-CD2 3.27Å; T29-Y33 WeakPolarHBondContact O-CD2 3.22Å; T29-Y33 PolarHBondContact O-N 3.05Å; I30-Y33 PolarHBondContact O-N 3.41Å; Y33-L35 VanDerWaalsContact C-N 3.33Å; Y33-L35 PolarHBondContact O-N 3.29Å; Y33-L36 HydrophobicContact CD1-CD2 4.27Å; Y33-L36 HydrophobicContact CE1-CD2 4.36Å; Y33-L36 PolarHBondContact O-N 3.1Å; Y33-H37 WeakPolarHBondContact O-CB 3.48Å; Y33-H37 PolarHBondContact O-N 3.25Å; Y33-E75 WeakPolarHBondContact CE2-O 3.48Å; Y33-E75 PolarHBondContact OH-O 3.09Å; Y33-E79 HydrophobicContact CE1-CG 4.29Å; Y33-E79 WeakPolarHBondContact OH-CA 3.42Å; Y33-G82 WeakPolarHBondContact OH-CA 3.4Å; Y33-I83 HydrophobicContact CD1-CD1 3.6Å; Y33-I83 HydrophobicContact CE1-CD1 3.55Å; Y33-I83 HydrophobicContact CE1-CG1 4.15Å; Y33-I83 HydrophobicContact CG-CD1 4.48Å; Y33-V86 HydrophobicContact CD1-CG2 4.49Å; Y33-V86 HydrophobicContact CD2-CG2 3.37Å; Y33-V86 HydrophobicContact CE2-CG2 4.15Å; Y33-V86 HydrophobicContact CG-CG2 3.61Å
34C97.7Very high95.2Very high0 Ų036.6 Ų36.60%021%0.206CC..Hα-helixtrans-60.8-42.8171.5-73.70000111.8A20 I30 Y32 A38 L120A20-C34 HydrophobicContact CB-CB 3.72Å; I30-C34 WeakPolarHBondContact O-CB 3.36Å; I30-C34 PolarHBondContact O-N 3.38Å; I30-C34 PolarHBondContact O-SG 2.82Å; I30-C34 VanDerWaalsContact O-SG 3.34Å; Y32-C34 PolarHBondContact O-N 3.45Å; C34-A38 WeakPolarHBondContact O-CB 3.27Å; C34-A38 PolarHBondContact O-N 3.26Å; C34-L120 WeakPolarHBondContact SG-CD2 3.42Å
35L97Very high95Very high0 Ų037.3 Ų37.30%021%0.205CC..Hα-helixtrans-71.6-38.6178.6-64.4175.8000112.6M1 F3 L17 A20 T31 Y32 Y33 H37 A38 F39 L59 L63 L66M1-L35 HydrophobicContact CE-CD1 3.4Å; M1-L35 VanDerWaalsContact CE-CD1 3.4Å; M1-L35 HydrophobicContact SD-CD1 3.71Å; F3-L35 HydrophobicContact CE1-CD2 3.87Å; F3-L35 HydrophobicContact CE2-CD2 4.22Å; F3-L35 HydrophobicContact CZ-CD2 3.36Å; L17-L35 HydrophobicContact CD2-CD2 3.81Å; A20-L35 HydrophobicContact CB-CD2 3.72Å; A20-L35 HydrophobicContact CB-CG 3.87Å; T31-L35 HydrophobicContact CG2-CD1 4.08Å; T31-L35 VanDerWaalsContact O-CG 3.23Å; T31-L35 WeakPolarHBondContact O-CG 3.42Å; T31-L35 PolarHBondContact O-N 3.09Å; T31-L35 VanDerWaalsContact O-N 3.13Å; Y32-L35 PolarHBondContact O-N 3.22Å; Y33-L35 VanDerWaalsContact C-N 3.33Å; Y33-L35 PolarHBondContact O-N 3.29Å; L35-H37 VanDerWaalsContact C-N 3.31Å; L35-H37 PolarHBondContact O-N 2.84Å; L35-A38 PolarHBondContact O-N 3.22Å; L35-F39 VanDerWaalsContact O-CB 3.31Å; L35-F39 WeakPolarHBondContact O-CB 3.46Å; L35-F39 PolarHBondContact O-N 3.44Å; L35-L59 HydrophobicContact CD2-CD2 4.16Å; L35-L63 HydrophobicContact CB-CD2 3.71Å; L35-L63 HydrophobicContact CB-CG 4.19Å; L35-L66 HydrophobicContact CD1-CD1 3.7Å
36L97.1Very high94.5Very high26 Ų2638.8 Ų38.814%0.13620%0.204CC..Hα-helixtrans-61.3-46177.9179.860.9000109.8Y32 Y33 F39 Q40 L63Y32-L36 HydrophobicContact CE1-CD2 4.02Å; Y32-L36 WeakPolarHBondContact O-CB 3.17Å; Y32-L36 PolarHBondContact O-N 2.9Å; Y33-L36 HydrophobicContact CD1-CD2 4.27Å; Y33-L36 HydrophobicContact CE1-CD2 4.36Å; Y33-L36 PolarHBondContact O-N 3.1Å; L36-F39 WeakPolarHBondContact O-CB 3.25Å; L36-F39 PolarHBondContact O-N 3.19Å; L36-Q40 WeakPolarHBondContact O-CB 3.32Å; L36-Q40 VanDerWaalsContact O-CG 3.28Å; L36-Q40 WeakPolarHBondContact O-CG 3.47Å; L36-Q40 PolarHBondContact O-N 3.47Å; L36-L63 HydrophobicContact CB-CD2 4.06Å; L36-L63 HydrophobicContact CD1-CD1 4.36Å
37H97.1Very high94Very high8 Ų839.1 Ų39.14%0.03721%0.208CC..Hα-helixtrans-67.2-39.6177.6-167.952.1000112.8F16 Y33 L35 F39 Q40 K41 D122 V123F16-H37 AromaticContact CD1-CD2 3.81Å; F16-H37 AromaticContact CE1-CD2 3.37Å; F16-H37 WeakPolarHBondContact CE1-CD2 3.35Å; F16-H37 AromaticContact CE1-NE2 3.96Å; F16-H37 AromaticContact CZ-CD2 3.56Å; F16-H37 AromaticContact CZ-NE2 3.79Å; Y33-H37 WeakPolarHBondContact O-CB 3.48Å; Y33-H37 PolarHBondContact O-N 3.25Å; L35-H37 VanDerWaalsContact C-N 3.31Å; L35-H37 PolarHBondContact O-N 2.84Å; H37-F39 VanDerWaalsContact C-N 3.32Å; H37-F39 PolarHBondContact O-N 3.43Å; H37-Q40 PolarHBondContact O-N 2.98Å; H37-K41 WeakPolarHBondContact NE2-CE 3.23Å; H37-K41 WeakPolarHBondContact O-CB 3.4Å; H37-K41 PolarHBondContact O-N 3.13Å; H37-D122 PolarHBondContact NE2-O 3.45Å; H37-V123 HydrophobicContact CB-CB 4.36Å; H37-V123 HydrophobicContact CB-CG1 4.11Å; H37-V123 HydrophobicContact CB-CG2 3.85Å
38A96.1Very high93.6Very high0 Ų041.7 Ų41.70%022%0.218CC..Hα-helixtrans-60.3-43.1173.100000111.7L13 F16 L17 C34 L35 K41 G42L13-A38 WeakPolarHBondContact CD1-O 3.39Å; F16-A38 HydrophobicContact CB-CB 3.87Å; F16-A38 HydrophobicContact CD2-CB 4.49Å; F16-A38 HydrophobicContact CG-CB 4.47Å; L17-A38 HydrophobicContact CD2-CB 4.13Å; C34-A38 WeakPolarHBondContact O-CB 3.27Å; C34-A38 PolarHBondContact O-N 3.26Å; L35-A38 PolarHBondContact O-N 3.22Å; A38-K41 PolarHBondContact O-N 3.14Å; A38-G42 PolarHBondContact O-N 3.26Å
39F95.8Very high93.4Very high34 Ų3441.8 Ų41.815%0.14922%0.22CC..Hα-helixtrans-64.2-47.7177.2176.3-103.7000111.7L35 L36 H37 K41 G42 L43 L56 L59 M60 L63L35-F39 VanDerWaalsContact O-CB 3.31Å; L35-F39 WeakPolarHBondContact O-CB 3.46Å; L35-F39 PolarHBondContact O-N 3.44Å; L36-F39 WeakPolarHBondContact O-CB 3.25Å; L36-F39 PolarHBondContact O-N 3.19Å; H37-F39 VanDerWaalsContact C-N 3.32Å; H37-F39 PolarHBondContact O-N 3.43Å; F39-K41 PolarHBondContact O-N 3.29Å; F39-G42 PolarHBondContact O-N 3.18Å; F39-L43 HydrophobicContact CD1-CD1 3.85Å; F39-L43 HydrophobicContact CD1-CG 4.39Å; F39-L43 HydrophobicContact CE1-CD1 3.31Å; F39-L43 HydrophobicContact CE1-CG 4.05Å; F39-L43 HydrophobicContact CE2-CD1 4.42Å; F39-L43 HydrophobicContact CE2-CG 4.34Å; F39-L43 HydrophobicContact CZ-CD1 3.64Å; F39-L43 HydrophobicContact CZ-CD2 4.27Å; F39-L43 HydrophobicContact CZ-CG 4.02Å; F39-L43 WeakPolarHBondContact O-CG 3.35Å; F39-L43 PolarHBondContact O-N 3.01Å; F39-L56 HydrophobicContact CD2-CB 4.47Å; F39-L56 HydrophobicContact CD2-CD2 4.02Å; F39-L56 HydrophobicContact CE2-CB 4.23Å; F39-L56 HydrophobicContact CE2-CD2 4.46Å; F39-L59 HydrophobicContact CB-CD1 4.4Å; F39-L59 HydrophobicContact CD2-CB 4.08Å; F39-M60 HydrophobicContact CE1-SD 4Å; F39-M60 HydrophobicContact CE2-CB 4.07Å; F39-M60 HydrophobicContact CE2-SD 4.28Å; F39-M60 HydrophobicContact CZ-CB 4.41Å; F39-M60 HydrophobicContact CZ-SD 3.75Å; F39-L63 HydrophobicContact CB-CD1 3.87Å; F39-L63 HydrophobicContact CD1-CD1 4.28Å; F39-L63 HydrophobicContact CG-CD1 4.06Å
40Q95.2Very high93.1Very high75 Ų7546.6 Ų46.635%0.3525%0.251SS..Hα-helixtrans-58.2-45.3175.5-72.8168.4-20.200111.9L36 H37 L43 S44L36-Q40 WeakPolarHBondContact O-CB 3.32Å; L36-Q40 VanDerWaalsContact O-CG 3.28Å; L36-Q40 WeakPolarHBondContact O-CG 3.47Å; L36-Q40 PolarHBondContact O-N 3.47Å; H37-Q40 PolarHBondContact O-N 2.98Å; Q40-L43 WeakPolarHBondContact O-CB 3.43Å; Q40-L43 PolarHBondContact O-N 3.28Å; Q40-S44 PolarHBondContact O-N 3.47Å; Q40-S44 VanDerWaalsContact O-N 3.11Å
41K93.7Very high92.9Very high76 Ų7650.3 Ų50.333%0.3328%0.276SS..Hα-helixtrans-62.8-44.3174.9-80.2-176177.6-87.90111.8L13 F16 H37 A38 F39 L43 S44L13-K41 HydrophobicContact CD2-CB 3.58Å; L13-K41 HydrophobicContact CD2-CD 4.29Å; F16-K41 HydrophobicContact CD2-CD 4.35Å; F16-K41 HydrophobicContact CE2-CD 3.52Å; F16-K41 HydrophobicContact CZ-CD 4.01Å; H37-K41 WeakPolarHBondContact NE2-CE 3.23Å; H37-K41 WeakPolarHBondContact O-CB 3.4Å; H37-K41 PolarHBondContact O-N 3.13Å; A38-K41 PolarHBondContact O-N 3.14Å; F39-K41 PolarHBondContact O-N 3.29Å; K41-L43 VanDerWaalsContact C-N 3.29Å; K41-L43 PolarHBondContact O-N 2.95Å; K41-S44 WeakPolarHBondContact O-CB 3.42Å; K41-S44 PolarHBondContact O-N 2.97Å; K41-S44 VanDerWaalsContact O-N 3.09Å; K41-S44 PolarHBondContact O-OG 2.88Å
42G93.2Very high92.6Very high0 Ų050.4 Ų50.40%028%0.276CS..Hα-helixtrans-63.8-32.7175.700000113.4A38 F39 S44 M45A38-G42 PolarHBondContact O-N 3.26Å; F39-G42 PolarHBondContact O-N 3.18Å; G42-S44 VanDerWaalsContact C-N 3.32Å; G42-S44 PolarHBondContact O-N 2.89Å; G42-M45 WeakPolarHBondContact O-CB 3.48Å; G42-M45 PolarHBondContact O-N 2.93Å
43L92.8Very high92.4Very high80 Ų8055.1 Ų55.142%0.41930%0.297SS..Hα-helixtrans-66.8-29.9172-78.8179.3000113F39 Q40 K41 M45 K48 L56F39-L43 HydrophobicContact CD1-CD1 3.85Å; F39-L43 HydrophobicContact CD1-CG 4.39Å; F39-L43 HydrophobicContact CE1-CD1 3.31Å; F39-L43 HydrophobicContact CE1-CG 4.05Å; F39-L43 HydrophobicContact CE2-CD1 4.42Å; F39-L43 HydrophobicContact CE2-CG 4.34Å; F39-L43 HydrophobicContact CZ-CD1 3.64Å; F39-L43 HydrophobicContact CZ-CD2 4.27Å; F39-L43 HydrophobicContact CZ-CG 4.02Å; F39-L43 WeakPolarHBondContact O-CG 3.35Å; F39-L43 PolarHBondContact O-N 3.01Å; Q40-L43 WeakPolarHBondContact O-CB 3.43Å; Q40-L43 PolarHBondContact O-N 3.28Å; K41-L43 VanDerWaalsContact C-N 3.29Å; K41-L43 PolarHBondContact O-N 2.95Å; L43-M45 PolarHBondContact O-N 2.92Å; L43-K48 WeakPolarHBondContact O-CE 3.46Å; L43-K48 PolarHBondContact O-NZ 3.23Å; L43-L56 HydrophobicContact CD2-CD1 4.22Å
44S90.3Very high92.1Very high96 Ų9657.7 Ų57.767%0.67132%0.319SS*.THydrogen-bonded Turntrans-70.1-12.217875.60000114.1Q40 K41 G42 T46Q40-S44 PolarHBondContact O-N 3.47Å; Q40-S44 VanDerWaalsContact O-N 3.11Å; K41-S44 WeakPolarHBondContact O-CB 3.42Å; K41-S44 PolarHBondContact O-N 2.97Å; K41-S44 VanDerWaalsContact O-N 3.09Å; K41-S44 PolarHBondContact O-OG 2.88Å; G42-S44 VanDerWaalsContact C-N 3.32Å; G42-S44 PolarHBondContact O-N 2.89Å; S44-T46 PolarHBondContact O-N 3.49Å
45M87.7Confident91.9Very high65 Ų6558.3 Ų58.332%0.3232%0.322SS..  trans-67.3125178.2-167.163.517500111.5G42 L43 K48G42-M45 WeakPolarHBondContact O-CB 3.48Å; G42-M45 PolarHBondContact O-N 2.93Å; L43-M45 PolarHBondContact O-N 2.92Å; M45-K48 PolarHBondContact O-NZ 3.19Å
46T81.1Confident91.8Very high129 Ų12958.8 Ų58.879%0.79132%0.324SS*.SBendtrans-67.5-41.2-176.7520000112.7S44S44-T46 PolarHBondContact O-N 3.49Å
47Q81.5Confident91.6Very high146 Ų14661.4 Ų61.468%0.68234%0.341SS*.  trans-100.2104.9179-66.4-68.5-8.400110.3I52Q47-I52 WeakPolarHBondContact O-CD1 3.26Å
48K86.7Confident91.5Very high68 Ų6864.1 Ų64.130%0.29636%0.358SS..  trans-105.488177.2-61.4-174.8-178.367.40110.3L43 M45 I52 K53 L56L43-K48 WeakPolarHBondContact O-CE 3.46Å; L43-K48 PolarHBondContact O-NZ 3.23Å; M45-K48 PolarHBondContact O-NZ 3.19Å; K48-I52 HydrophobicContact CB-CG2 4.06Å; K48-I52 HydrophobicContact CG-CG2 4.07Å; K48-K53 HydrophobicContact CB-CG 4.04Å; K48-K53 VanDerWaalsContact O-CE 3.29Å; K48-K53 WeakPolarHBondContact O-CE 3.41Å; K48-L56 HydrophobicContact CD-CD1 4.12Å
49S90.7Very high91.4Very high42 Ų4264.1 Ų64.129%0.29436%0.358SS..  trans-60.5160.1171.763.80000111.2P51 I52 K53S49-P51 VanDerWaalsContact C-CD 3.46Å; S49-P51 VanDerWaalsContact C-N 3.31Å; S49-I52 WeakPolarHBondContact O-CB 3.31Å; S49-I52 PolarHBondContact O-N 3.38Å; S49-I52 WeakPolarHBondContact OG-CG1 3.33Å; S49-K53 PolarHBondContact O-N 3.01Å
50P91.7Very high91.3Very high107 Ų10765.8 Ų65.870%0.69537%0.367SS*.Hα-helixtrans-51.8-39.9177.8-24.832.9000114.6I52 K53 A54P50-I52 PolarHBondContact O-N 3.32Å; P50-K53 PolarHBondContact O-N 3.48Å; P50-A54 PolarHBondContact O-N 2.96Å
51P91.7Very high91.4Very high78 Ų7866.3 Ų66.351%0.50637%0.373SS..Hα-helixtrans-61.4-40173.2-25.235.3000114.2P7 S49 A54 F55P7-P51 HydrophobicContact CG-CB 4.4Å; S49-P51 VanDerWaalsContact C-CD 3.46Å; S49-P51 VanDerWaalsContact C-N 3.31Å; P51-A54 PolarHBondContact O-N 3.02Å; P51-F55 WeakPolarHBondContact O-CB 3.42Å; P51-F55 PolarHBondContact O-N 3.49Å
52I92.2Very high91.4Very high2 Ų264.1 Ų64.11%0.0136%0.363CS..Hα-helixtrans-63.6-45.1175.7-70170.7000110.2P7 E9 L10 Q47 K48 S49 P50 F55 L56P7-I52 HydrophobicContact CB-CG1 4.08Å; P7-I52 HydrophobicContact CG-CG1 4.2Å; E9-I52 HydrophobicContact CB-CD1 4.13Å; E9-I52 HydrophobicContact CG-CD1 4.44Å; L10-I52 HydrophobicContact CD1-CG1 4.33Å; L10-I52 HydrophobicContact CD1-CG2 4.2Å; L10-I52 HydrophobicContact CG-CG1 4.37Å; Q47-I52 WeakPolarHBondContact O-CD1 3.26Å; K48-I52 HydrophobicContact CB-CG2 4.06Å; K48-I52 HydrophobicContact CG-CG2 4.07Å; S49-I52 WeakPolarHBondContact O-CB 3.31Å; S49-I52 PolarHBondContact O-N 3.38Å; S49-I52 WeakPolarHBondContact OG-CG1 3.33Å; P50-I52 PolarHBondContact O-N 3.32Å; I52-F55 PolarHBondContact O-N 2.91Å; I52-L56 HydrophobicContact CG2-CD1 4Å; I52-L56 HydrophobicContact CG2-CG 4.4Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.28Å; I52-L56 PolarHBondContact O-N 3.31Å
53K92.5Very high91.5Very high121 Ų12164.6 Ų64.653%0.52637%0.366SS..Hα-helixtrans-61.2-47.3177.7-68.2-178.1179.8177.30111.6K48 S49 P50 F55 L56 T57K48-K53 HydrophobicContact CB-CG 4.04Å; K48-K53 VanDerWaalsContact O-CE 3.29Å; K48-K53 WeakPolarHBondContact O-CE 3.41Å; S49-K53 PolarHBondContact O-N 3.01Å; P50-K53 PolarHBondContact O-N 3.48Å; K53-F55 VanDerWaalsContact C-N 3.3Å; K53-F55 PolarHBondContact O-N 3.26Å; K53-L56 PolarHBondContact O-N 3.24Å; K53-T57 PolarHBondContact O-N 3.27Å; K53-T57 PolarHBondContact O-OG1 3.15Å; K53-T57 VanDerWaalsContact O-OG1 3.1Å
54A92.7Very high91.6Very high58 Ų5865.9 Ų65.948%0.47937%0.369SS..Hα-helixtrans-59.9-40.6177.900000112.3P50 P51 T57 T58P50-A54 PolarHBondContact O-N 2.96Å; P51-A54 PolarHBondContact O-N 3.02Å; A54-T57 PolarHBondContact O-N 3.4Å; A54-T58 PolarHBondContact O-N 2.92Å; A54-T58 PolarHBondContact O-OG1 2.99Å
55F93.7Very high91.9Very high14 Ų1467.4 Ų67.46%0.06137%0.366CS..Hα-helixtrans-64.7-44175.1-177.8-102.4000112.4F3 N5 V6 P7 L10 L13 L17 P51 I52 K53 T58 L59F3-F55 HydrophobicContact CD1-CE2 4.48Å; N5-F55 WeakPolarHBondContact O-CD2 3.48Å; V6-F55 HydrophobicContact CB-CE2 4.35Å; V6-F55 HydrophobicContact CB-CZ 4.47Å; V6-F55 HydrophobicContact CG1-CZ 4.28Å; V6-F55 HydrophobicContact CG2-CE2 3.79Å; V6-F55 HydrophobicContact CG2-CZ 3.9Å; P7-F55 HydrophobicContact CG-CB 4Å; P7-F55 HydrophobicContact CG-CG 4.38Å; L10-F55 HydrophobicContact CD1-CD1 3.52Å; L10-F55 HydrophobicContact CD1-CE1 4.05Å; L10-F55 HydrophobicContact CD1-CG 4.41Å; L13-F55 HydrophobicContact CD1-CE1 4.36Å; L17-F55 HydrophobicContact CD1-CE1 4.48Å; L17-F55 HydrophobicContact CD1-CZ 3.68Å; L17-F55 HydrophobicContact CD2-CZ 4.42Å; P51-F55 WeakPolarHBondContact O-CB 3.42Å; P51-F55 PolarHBondContact O-N 3.49Å; I52-F55 PolarHBondContact O-N 2.91Å; K53-F55 VanDerWaalsContact C-N 3.3Å; K53-F55 PolarHBondContact O-N 3.26Å; F55-T58 WeakPolarHBondContact O-CB 3.4Å; F55-T58 PolarHBondContact O-N 3.02Å; F55-L59 HydrophobicContact CD1-CD1 4.08Å; F55-L59 HydrophobicContact CD1-CG 4.39Å; F55-L59 HydrophobicContact CE1-CD1 3.46Å; F55-L59 VanDerWaalsContact CE1-CD1 3.46Å; F55-L59 HydrophobicContact CE1-CD2 4.48Å; F55-L59 HydrophobicContact CE1-CG 3.91Å; F55-L59 HydrophobicContact CZ-CD1 3.98Å; F55-L59 HydrophobicContact CZ-CD2 4.19Å; F55-L59 HydrophobicContact CZ-CG 4.04Å; F55-L59 PolarHBondContact O-N 3.28Å
56L93.8Very high92.2Very high10 Ų1065.6 Ų65.65%0.05236%0.357CS..Hα-helixtrans-65.1-38.4176.9-69.2176.2000112.6F39 L43 K48 I52 K53 T58 L59 M60F39-L56 HydrophobicContact CD2-CB 4.47Å; F39-L56 HydrophobicContact CD2-CD2 4.02Å; F39-L56 HydrophobicContact CE2-CB 4.23Å; F39-L56 HydrophobicContact CE2-CD2 4.46Å; L43-L56 HydrophobicContact CD2-CD1 4.22Å; K48-L56 HydrophobicContact CD-CD1 4.12Å; I52-L56 HydrophobicContact CG2-CD1 4Å; I52-L56 HydrophobicContact CG2-CG 4.4Å; I52-L56 VanDerWaalsContact O-CG 3.31Å; I52-L56 WeakPolarHBondContact O-CG 3.28Å; I52-L56 PolarHBondContact O-N 3.31Å; K53-L56 PolarHBondContact O-N 3.24Å; L56-T58 VanDerWaalsContact C-N 3.33Å; L56-L59 HydrophobicContact CD2-CD1 4.39Å; L56-L59 PolarHBondContact O-N 3.42Å; L56-M60 PolarHBondContact O-N 3.49Å
57T94.1Very high92.8Very high80 Ų8064 Ų6449%0.49134%0.339SS..Hα-helixtrans-59.1-46.5171.6-59.40000110.6K53 A54 L59 M60 D61K53-T57 PolarHBondContact O-N 3.27Å; K53-T57 PolarHBondContact O-OG1 3.15Å; K53-T57 VanDerWaalsContact O-OG1 3.1Å; A54-T57 PolarHBondContact O-N 3.4Å; T57-L59 VanDerWaalsContact C-N 3.28Å; T57-L59 PolarHBondContact O-N 2.95Å; T57-M60 WeakPolarHBondContact O-CB 3.32Å; T57-M60 PolarHBondContact O-N 2.94Å; T57-M60 VanDerWaalsContact O-N 3.08Å; T57-D61 VanDerWaalsContact O-CG 3.25Å; T57-D61 PolarHBondContact O-N 2.77Å
58T93.7Very high93.5Very high65 Ų6565.1 Ų65.140%0.39934%0.342SS..Hα-helixtrans-60.9-35.9176.8-53.60000112.5A54 F55 L56 K62A54-T58 PolarHBondContact O-N 2.92Å; A54-T58 PolarHBondContact O-OG1 2.99Å; F55-T58 WeakPolarHBondContact O-CB 3.4Å; F55-T58 PolarHBondContact O-N 3.02Å; L56-T58 VanDerWaalsContact C-N 3.33Å; T58-K62 WeakPolarHBondContact O-CG 3.28Å; T58-K62 PolarHBondContact O-N 3.02Å
59L94.2Very high93.9Very high0 Ų065.8 Ų65.80%036%0.355CS..Hα-helixtrans-68.5-40.7174.1-75.4-177.1000112.1F3 L17 L35 F39 F55 L56 T57 K62 L63F3-L59 HydrophobicContact CD1-CD2 4.13Å; F3-L59 HydrophobicContact CE1-CD2 3.65Å; L17-L59 HydrophobicContact CD2-CD2 3.83Å; L35-L59 HydrophobicContact CD2-CD2 4.16Å; F39-L59 HydrophobicContact CB-CD1 4.4Å; F39-L59 HydrophobicContact CD2-CB 4.08Å; F55-L59 HydrophobicContact CD1-CD1 4.08Å; F55-L59 HydrophobicContact CD1-CG 4.39Å; F55-L59 HydrophobicContact CE1-CD1 3.46Å; F55-L59 VanDerWaalsContact CE1-CD1 3.46Å; F55-L59 HydrophobicContact CE1-CD2 4.48Å; F55-L59 HydrophobicContact CE1-CG 3.91Å; F55-L59 HydrophobicContact CZ-CD1 3.98Å; F55-L59 HydrophobicContact CZ-CD2 4.19Å; F55-L59 HydrophobicContact CZ-CG 4.04Å; F55-L59 PolarHBondContact O-N 3.28Å; L56-L59 HydrophobicContact CD2-CD1 4.39Å; L56-L59 PolarHBondContact O-N 3.42Å; T57-L59 VanDerWaalsContact C-N 3.28Å; T57-L59 PolarHBondContact O-N 2.95Å; L59-K62 PolarHBondContact O-N 2.75Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.34Å
60M94.8Very high94.1Very high69 Ų6965.3 Ų65.334%0.3435%0.35SS..Hα-helixtrans-62.3-48.4177.2-169.467.6-167.200111.2F39 L56 T57 K62 L63 E64F39-M60 HydrophobicContact CE1-SD 4Å; F39-M60 HydrophobicContact CE2-CB 4.07Å; F39-M60 HydrophobicContact CE2-SD 4.28Å; F39-M60 HydrophobicContact CZ-CB 4.41Å; F39-M60 HydrophobicContact CZ-SD 3.75Å; L56-M60 PolarHBondContact O-N 3.49Å; T57-M60 WeakPolarHBondContact O-CB 3.32Å; T57-M60 PolarHBondContact O-N 2.94Å; T57-M60 VanDerWaalsContact O-N 3.08Å; M60-K62 PolarHBondContact O-N 3.46Å; M60-L63 WeakPolarHBondContact O-CB 3.4Å; M60-L63 PolarHBondContact O-N 3.01Å; M60-E64 HydrophobicContact CE-CG 3.98Å; M60-E64 WeakPolarHBondContact CE-OE1 3.39Å; M60-E64 WeakPolarHBondContact O-CG 3.43Å; M60-E64 PolarHBondContact O-N 3.47Å
61D95.7Very high94.1Very high87 Ų8764.2 Ų64.247%0.46535%0.345SS..Hα-helixtrans-55.5-41.7178.2-61.5-27.5000111.3T57 E64 E65T57-D61 VanDerWaalsContact O-CG 3.25Å; T57-D61 PolarHBondContact O-N 2.77Å; D61-E64 PolarHBondContact O-N 3.02Å; D61-E65 WeakPolarHBondContact O-CB 3.34Å; D61-E65 PolarHBondContact O-N 3.45Å
62K94Very high94.2Very high30 Ų3066.6 Ų66.613%0.1335%0.353CS..Hα-helixtrans-67.2-39176.5-75.4172.4172.9-175.70113.1M1 N2 F3 T58 L59 M60 L66M1-K62 HydrophobicContact CE-CB 4.11Å; M1-K62 HydrophobicContact CE-CD 4.08Å; M1-K62 HydrophobicContact CE-CG 4.22Å; N2-K62 PolarHBondContact O-NZ 3.24Å; F3-K62 VanDerWaalsContact CD1-NZ 3.29Å; F3-K62 HydrophobicContact CE1-CD 3.79Å; F3-K62 HydrophobicContact CZ-CD 4.4Å; T58-K62 WeakPolarHBondContact O-CG 3.28Å; T58-K62 PolarHBondContact O-N 3.02Å; L59-K62 PolarHBondContact O-N 2.75Å; M60-K62 PolarHBondContact O-N 3.46Å; K62-L66 WeakPolarHBondContact O-CB 3.49Å; K62-L66 WeakPolarHBondContact O-CG 3.49Å; K62-L66 PolarHBondContact O-N 3.3Å
63L95.7Very high94.3Very high10 Ų1067 Ų675%0.05236%0.356CS..Hα-helixtrans-65-42.5176.2-77.7167.4000111Y32 L35 L36 F39 L59 M60 L66 K67Y32-L63 HydrophobicContact CD2-CD2 3.77Å; Y32-L63 HydrophobicContact CE2-CD2 3.85Å; L35-L63 HydrophobicContact CB-CD2 3.71Å; L35-L63 HydrophobicContact CB-CG 4.19Å; L36-L63 HydrophobicContact CB-CD2 4.06Å; L36-L63 HydrophobicContact CD1-CD1 4.36Å; F39-L63 HydrophobicContact CB-CD1 3.87Å; F39-L63 HydrophobicContact CD1-CD1 4.28Å; F39-L63 HydrophobicContact CG-CD1 4.06Å; L59-L63 WeakPolarHBondContact O-CG 3.48Å; L59-L63 PolarHBondContact O-N 3.34Å; M60-L63 WeakPolarHBondContact O-CB 3.4Å; M60-L63 PolarHBondContact O-N 3.01Å; L63-L66 PolarHBondContact O-N 3.48Å; L63-K67 WeakPolarHBondContact O-CB 3.31Å; L63-K67 PolarHBondContact O-N 3.29Å
64E95.7Very high94.5Very high106 Ų10666.6 Ų66.650%0.49536%0.356SS..Hα-helixtrans-64.6-43.8175.9-69.1179.5-174.700111.7M60 D61 K67 K68M60-E64 HydrophobicContact CE-CG 3.98Å; M60-E64 WeakPolarHBondContact CE-OE1 3.39Å; M60-E64 WeakPolarHBondContact O-CG 3.43Å; M60-E64 PolarHBondContact O-N 3.47Å; D61-E64 PolarHBondContact O-N 3.02Å; E64-K67 PolarHBondContact O-N 2.98Å; E64-K68 VanDerWaalsContact O-CB 3.26Å; E64-K68 WeakPolarHBondContact O-CB 3.46Å; E64-K68 PolarHBondContact O-N 2.88Å
65E95.2Very high94.7Very high128 Ų12866.3 Ų66.360%0.59834%0.344SS*.Hα-helixtrans-59.6-47174.9-175.8-177.7-171.500111.8D61 K68 S69D61-E65 WeakPolarHBondContact O-CB 3.34Å; D61-E65 PolarHBondContact O-N 3.45Å; E65-K68 PolarHBondContact O-N 2.85Å; E65-S69 VanDerWaalsContact O-CB 3.28Å; E65-S69 WeakPolarHBondContact O-CB 3.46Å; E65-S69 PolarHBondContact O-N 3.44Å; E65-S69 PolarHBondContact O-OG 2.82Å
66L94.2Very high94.8Very high27 Ų2765.7 Ų65.714%0.14134%0.342CS..Hα-helixtrans-62.2-46.6176.9-81.4172.1000111.7M1 T31 Y32 L35 K62 L63 K68 S69 N70M1-L66 HydrophobicContact CE-CD1 4.02Å; M1-L66 HydrophobicContact CE-CG 4.5Å; T31-L66 HydrophobicContact CG2-CD1 3.93Å; Y32-L66 HydrophobicContact CD2-CB 4.36Å; L35-L66 HydrophobicContact CD1-CD1 3.7Å; K62-L66 WeakPolarHBondContact O-CB 3.49Å; K62-L66 WeakPolarHBondContact O-CG 3.49Å; K62-L66 PolarHBondContact O-N 3.3Å; L63-L66 PolarHBondContact O-N 3.48Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.42Å; L66-S69 PolarHBondContact O-N 3.2Å; L66-N70 WeakPolarHBondContact O-CB 3.42Å; L66-N70 PolarHBondContact O-N 3.42Å; L66-N70 PolarHBondContact O-ND2 3.41Å
67K94.9Very high94.8Very high95 Ų9568.4 Ų68.441%0.41336%0.359SS..Hα-helixtrans-64.6-39.6-179.6-169.4170.5-172.11710111.7Y32 L63 E64 N70 S71 I76Y32-K67 HydrophobicContact CE2-CB 4.26Å; L63-K67 WeakPolarHBondContact O-CB 3.31Å; L63-K67 PolarHBondContact O-N 3.29Å; E64-K67 PolarHBondContact O-N 2.98Å; K67-N70 CarbonylContact O-C 3.56Å; K67-S71 WeakPolarHBondContact O-CA 3.31Å; K67-S71 PolarHBondContact O-N 2.84Å; K67-I76 HydrophobicContact CB-CG2 4.4Å; K67-I76 HydrophobicContact CG-CG2 4.22Å
68K95.8Very high94.8Very high171 Ų17167.5 Ų67.574%0.74335%0.351SS*.Hα-helixtrans-66.3-45.8176.3-175.7176.8179.1-1790111.8E64 E65 L66 N70 S71E64-K68 VanDerWaalsContact O-CB 3.26Å; E64-K68 WeakPolarHBondContact O-CB 3.46Å; E64-K68 PolarHBondContact O-N 2.88Å; E65-K68 PolarHBondContact O-N 2.85Å; L66-K68 VanDerWaalsContact C-N 3.34Å; L66-K68 PolarHBondContact O-N 3.42Å; K68-N70 PolarHBondContact O-N 2.82Å; K68-S71 PolarHBondContact O-OG 3.33Å
69S95.2Very high94.8Very high81 Ų8168.5 Ų68.557%0.56635%0.351SS*.Hα-helixtrans-70.4-19.4-178-54.90000113.3E65 L66E65-S69 VanDerWaalsContact O-CB 3.28Å; E65-S69 WeakPolarHBondContact O-CB 3.46Å; E65-S69 PolarHBondContact O-N 3.44Å; E65-S69 PolarHBondContact O-OG 2.82Å; L66-S69 PolarHBondContact O-N 3.2Å
70N94.8Very high94.9Very high33 Ų3374 Ų7418%0.17639%0.385CS..THydrogen-bonded Turntrans-123.635.7179.9-56.6-89.7000111.5P28 L66 K67 K68 N72 C73 I76P28-N70 WeakPolarHBondContact CG-OD1 3.44Å; L66-N70 WeakPolarHBondContact O-CB 3.42Å; L66-N70 PolarHBondContact O-N 3.42Å; L66-N70 PolarHBondContact O-ND2 3.41Å; K67-N70 CarbonylContact O-C 3.56Å; K68-N70 PolarHBondContact O-N 2.82Å; N70-N72 PolarHBondContact O-N 3.17Å; N70-N72 VanDerWaalsContact O-N 3.11Å; N70-C73 HydrophobicContact CB-CB 4.19Å; N70-C73 WeakPolarHBondContact O-CB 3.16Å; N70-C73 PolarHBondContact O-N 3.34Å; N70-I76 HydrophobicContact CB-CD1 3.45Å; N70-I76 VanDerWaalsContact CB-CD1 3.45Å
71S92.6Very high95Very high84 Ų8472.9 Ų72.959%0.58738%0.382SS*.THydrogen-bonded Turntrans-64.1-14.8-176.749.50000114.3K67 K68 T77K67-S71 WeakPolarHBondContact O-CA 3.31Å; K67-S71 PolarHBondContact O-N 2.84Å; K68-S71 PolarHBondContact O-OG 3.33Å; S71-T77 WeakPolarHBondContact O-CG2 3.15Å
72N93.7Very high95Very high128 Ų12868.7 Ų68.768%0.68436%0.36SS*.THydrogen-bonded Turntrans-92.9-1.7174.464.8-55.3000113.9N70N70-N72 PolarHBondContact O-N 3.17Å; N70-N72 VanDerWaalsContact O-N 3.11Å
73C93.9Very high95.2Very high11 Ų1168.3 Ų68.37%0.07436%0.359CS..  trans-92.4114.3178.4175.60000109.6N70 E75 I76 T77N70-C73 HydrophobicContact CB-CB 4.19Å; N70-C73 WeakPolarHBondContact O-CB 3.16Å; N70-C73 PolarHBondContact O-N 3.34Å; C73-E75 VanDerWaalsContact C-N 3.27Å; C73-E75 PolarHBondContact O-N 3.36Å; C73-E75 PolarHBondContact SG-OE2 3.5Å; C73-I76 HydrophobicContact CB-CB 4.31Å; C73-I76 HydrophobicContact CB-CD1 4.23Å; C73-I76 HydrophobicContact CB-CG1 4.45Å; C73-I76 PolarHBondContact O-N 2.9Å; C73-T77 WeakPolarHBondContact O-CG2 3.46Å; C73-T77 PolarHBondContact O-N 3.03Å; C73-T77 PolarHBondContact O-OG1 2.85Å
74E95.9Very high95.2Very high112 Ų11271.2 Ų71.252%0.52338%0.378SS..Hα-helixtrans-61.5-38.6-178.6-171.9173.3-170.500111.1I76 T77 N78 V81E74-I76 PolarHBondContact O-N 3.39Å; E74-T77 WeakPolarHBondContact CA-OG1 3.4Å; E74-T77 PolarHBondContact O-N 3.46Å; E74-T77 PolarHBondContact O-OG1 2.82Å; E74-N78 HydrophobicContact CG-CB 4.23Å; E74-N78 WeakPolarHBondContact O-CB 3.29Å; E74-N78 PolarHBondContact O-N 3.31Å; E74-V81 HydrophobicContact CG-CB 4.2Å; E74-V81 HydrophobicContact CG-CG1 4.18Å; E74-V81 HydrophobicContact CG-CG2 4.03Å
75E96.5Very high95.3Very high51 Ų5169.1 Ų69.124%0.23837%0.366CS..Hα-helixtrans-62.4-28.5179.5-59.879.7175.500112.7T29 Y33 C73 V81 G82 Y85T29-E75 HydrophobicContact CG2-CB 3.48Å; T29-E75 VanDerWaalsContact CG2-CB 3.48Å; T29-E75 HydrophobicContact CG2-CG 4.38Å; Y33-E75 WeakPolarHBondContact CE2-O 3.48Å; Y33-E75 PolarHBondContact OH-O 3.09Å; C73-E75 VanDerWaalsContact C-N 3.27Å; C73-E75 PolarHBondContact O-N 3.36Å; C73-E75 PolarHBondContact SG-OE2 3.5Å; E75-V81 HydrophobicContact CG-CG1 4.2Å; E75-G82 VanDerWaalsContact O-CA 3.22Å; E75-G82 WeakPolarHBondContact O-CA 3.33Å; E75-Y85 HydrophobicContact CG-CD2 4.04Å; E75-Y85 HydrophobicContact CG-CG 3.95Å
76I96.1Very high95.5Very high2 Ų263 Ų631%0.0134%0.338CS..Hα-helixtrans-89.3-33.2177.2-70.5171.1000111.5P28 T29 Y32 K67 N70 C73 E74P28-I76 HydrophobicContact CB-CD1 4.17Å; T29-I76 HydrophobicContact CG2-CG1 4.35Å; Y32-I76 HydrophobicContact CD1-CG1 4.46Å; Y32-I76 HydrophobicContact CD1-CG2 4.32Å; Y32-I76 HydrophobicContact CD2-CG2 4.2Å; Y32-I76 HydrophobicContact CE1-CG2 4.47Å; Y32-I76 HydrophobicContact CE2-CG2 4.35Å; Y32-I76 HydrophobicContact CG-CG1 4.4Å; Y32-I76 HydrophobicContact CG-CG2 4.18Å; K67-I76 HydrophobicContact CB-CG2 4.4Å; K67-I76 HydrophobicContact CG-CG2 4.22Å; N70-I76 HydrophobicContact CB-CD1 3.45Å; N70-I76 VanDerWaalsContact CB-CD1 3.45Å; C73-I76 HydrophobicContact CB-CB 4.31Å; C73-I76 HydrophobicContact CB-CD1 4.23Å; C73-I76 HydrophobicContact CB-CG1 4.45Å; C73-I76 PolarHBondContact O-N 2.9Å; E74-I76 PolarHBondContact O-N 3.39Å
77T94.7Very high95.6Very high67 Ų6764.7 Ų64.741%0.41135%0.345SS..Hα-helixtrans-83.9-26.4-176.954.60000113.2S71 C73 E74S71-T77 WeakPolarHBondContact O-CG2 3.15Å; C73-T77 WeakPolarHBondContact O-CG2 3.46Å; C73-T77 PolarHBondContact O-N 3.03Å; C73-T77 PolarHBondContact O-OG1 2.85Å; E74-T77 WeakPolarHBondContact CA-OG1 3.4Å; E74-T77 PolarHBondContact O-N 3.46Å; E74-T77 PolarHBondContact O-OG1 2.82Å
78N94.2Very high95.8Very high61 Ų6165.5 Ų65.533%0.32635%0.35SS..  trans-125.1108.7-177.4-173.4-7.8000111.3E74 T80 V81 G82E74-N78 HydrophobicContact CG-CB 4.23Å; E74-N78 WeakPolarHBondContact O-CB 3.29Å; E74-N78 PolarHBondContact O-N 3.31Å; N78-T80 PolarHBondContact O-N 3.02Å; N78-T80 WeakPolarHBondContact OD1-CB 3.48Å; N78-T80 PolarHBondContact OD1-N 3.02Å; N78-T80 PolarHBondContact OD1-OG1 3.48Å; N78-V81 HydrophobicContact CB-CB 4.43Å; N78-V81 HydrophobicContact CB-CG2 4.28Å; N78-V81 PolarHBondContact O-N 3.26Å; N78-G82 PolarHBondContact O-N 3.25Å
79E94.1Very high95.9Very high86 Ų8658.4 Ų58.440%0.40232%0.319SS..Hα-helixtrans-60.4-32.2179.6-169.4170.298.300112.8Y33 V81 G82 I83Y33-E79 HydrophobicContact CE1-CG 4.29Å; Y33-E79 WeakPolarHBondContact OH-CA 3.42Å; E79-V81 PolarHBondContact O-N 2.88Å; E79-G82 PolarHBondContact O-N 3.47Å; E79-I83 HydrophobicContact CG-CD1 4.33Å; E79-I83 HydrophobicContact CG-CG1 3.65Å; E79-I83 WeakPolarHBondContact O-CG1 3.39Å; E79-I83 PolarHBondContact O-N 3.13Å
80T94.9Very high96Very high116 Ų11654.6 Ų54.671%0.71229%0.292SS*.Hα-helixtrans-64.5-23.7177.4-520000112.8N78 P84N78-T80 PolarHBondContact O-N 3.02Å; N78-T80 WeakPolarHBondContact OD1-CB 3.48Å; N78-T80 PolarHBondContact OD1-N 3.02Å; N78-T80 PolarHBondContact OD1-OG1 3.48Å; T80-P84 VanDerWaalsContact O-CD 3.26Å; T80-P84 WeakPolarHBondContact O-CD 3.45Å; T80-P84 WeakPolarHBondContact O-CG 3.48Å
81V96.7Very high96.2Very high44 Ų4455.4 Ų55.427%0.26730%0.296SS..Hα-helixtrans-96.8-40.2176-179.20000110.9E74 E75 N78 E79 P84 Y85E74-V81 HydrophobicContact CG-CB 4.2Å; E74-V81 HydrophobicContact CG-CG1 4.18Å; E74-V81 HydrophobicContact CG-CG2 4.03Å; E75-V81 HydrophobicContact CG-CG1 4.2Å; N78-V81 HydrophobicContact CB-CB 4.43Å; N78-V81 HydrophobicContact CB-CG2 4.28Å; N78-V81 PolarHBondContact O-N 3.26Å; E79-V81 PolarHBondContact O-N 2.88Å; V81-P84 WeakPolarHBondContact O-CD 3.43Å; V81-Y85 PolarHBondContact O-N 3.31Å
82G97.2Very high96.4Very high0 Ų054.9 Ų54.90%028%0.283CS..Hα-helixtrans-71.6-33.9-176.200000115.3Y33 E75 N78 E79 Y85 V86Y33-G82 WeakPolarHBondContact OH-CA 3.4Å; E75-G82 VanDerWaalsContact O-CA 3.22Å; E75-G82 WeakPolarHBondContact O-CA 3.33Å; N78-G82 PolarHBondContact O-N 3.25Å; E79-G82 PolarHBondContact O-N 3.47Å; G82-Y85 WeakPolarHBondContact O-CB 3.43Å; G82-Y85 PolarHBondContact O-N 3.09Å; G82-V86 VanDerWaalsContact O-CG2 3.28Å; G82-V86 WeakPolarHBondContact O-CG2 3.42Å; G82-V86 PolarHBondContact O-N 3.24Å
83I97Very high96.6Very high21 Ų2149.1 Ų49.111%0.10825%0.252CS..Hα-helixtrans-64.9-47.8177-63.8-60.6000112.2Y33 E79 Y85 V86 E87 V124 V127Y33-I83 HydrophobicContact CD1-CD1 3.6Å; Y33-I83 HydrophobicContact CE1-CD1 3.55Å; Y33-I83 HydrophobicContact CE1-CG1 4.15Å; Y33-I83 HydrophobicContact CG-CD1 4.48Å; E79-I83 HydrophobicContact CG-CD1 4.33Å; E79-I83 HydrophobicContact CG-CG1 3.65Å; E79-I83 WeakPolarHBondContact O-CG1 3.39Å; E79-I83 PolarHBondContact O-N 3.13Å; I83-Y85 VanDerWaalsContact C-N 3.26Å; I83-Y85 PolarHBondContact O-N 2.87Å; I83-V86 PolarHBondContact O-N 3.45Å; I83-V86 VanDerWaalsContact O-N 3.15Å; I83-E87 PolarHBondContact O-N 3.48Å; I83-V124 HydrophobicContact CG2-CG1 4.15Å; I83-V127 HydrophobicContact CD1-CB 4.41Å; I83-V127 HydrophobicContact CD1-CG2 3.59Å; I83-V127 HydrophobicContact CG1-CG1 4.34Å; I83-V127 HydrophobicContact CG1-CG2 4.15Å
84P96.8Very high96.8Very high72 Ų7249.7 Ų49.747%0.46825%0.254SS..Hα-helixtrans-55.8-37.6170.1-28.835.9000114T80 V81 E87 Q88T80-P84 VanDerWaalsContact O-CD 3.26Å; T80-P84 WeakPolarHBondContact O-CD 3.45Å; T80-P84 WeakPolarHBondContact O-CG 3.48Å; V81-P84 WeakPolarHBondContact O-CD 3.43Å; P84-E87 PolarHBondContact O-N 2.95Å; P84-Q88 WeakPolarHBondContact O-CB 3.31Å; P84-Q88 PolarHBondContact O-N 2.92Å
85Y97.6Very high96.9Very high61 Ų6148.8 Ų48.824%0.23925%0.252CS..Hα-helixtrans-62.8-45.6174.8174.6-87.6000111.9N27 T29 I30 E75 V81 G82 I83 E87 Q88 Y89N27-Y85 PolarHBondContact ND2-OH 3.44Å; N27-Y85 VanDerWaalsContact ND2-OH 3.09Å; N27-Y85 PolarHBondContact OD1-OH 3.08Å; T29-Y85 HydrophobicContact CG2-CD1 3.48Å; T29-Y85 VanDerWaalsContact CG2-CD1 3.48Å; T29-Y85 HydrophobicContact CG2-CE1 3.62Å; T29-Y85 HydrophobicContact CG2-CG 4.36Å; I30-Y85 HydrophobicContact CD1-CD1 4.42Å; I30-Y85 HydrophobicContact CD1-CE1 4.13Å; I30-Y85 HydrophobicContact CG1-CE1 4.2Å; E75-Y85 HydrophobicContact CG-CD2 4.04Å; E75-Y85 HydrophobicContact CG-CG 3.95Å; V81-Y85 PolarHBondContact O-N 3.31Å; G82-Y85 WeakPolarHBondContact O-CB 3.43Å; G82-Y85 PolarHBondContact O-N 3.09Å; I83-Y85 VanDerWaalsContact C-N 3.26Å; I83-Y85 PolarHBondContact O-N 2.87Å; Y85-E87 VanDerWaalsContact C-N 3.34Å; Y85-E87 PolarHBondContact O-N 3.07Å; Y85-Q88 PolarHBondContact O-N 2.95Å; Y85-Y89 VanDerWaalsContact O-CB 3.32Å; Y85-Y89 WeakPolarHBondContact O-CB 3.44Å; Y85-Y89 PolarHBondContact O-N 3.12Å
86V98.2Very high96.9Very high0 Ų047.2 Ų47.20%025%0.248CC..Hα-helixtrans-61.5-43.2176.5176.60000110.7I30 Y33 G82 I83 Y89 A90 L120 V123 V124I30-V86 HydrophobicContact CD1-CB 4.34Å; I30-V86 HydrophobicContact CD1-CG1 4.29Å; I30-V86 HydrophobicContact CD1-CG2 4.05Å; Y33-V86 HydrophobicContact CD1-CG2 4.49Å; Y33-V86 HydrophobicContact CD2-CG2 3.37Å; Y33-V86 HydrophobicContact CE2-CG2 4.15Å; Y33-V86 HydrophobicContact CG-CG2 3.61Å; G82-V86 VanDerWaalsContact O-CG2 3.28Å; G82-V86 WeakPolarHBondContact O-CG2 3.42Å; G82-V86 PolarHBondContact O-N 3.24Å; I83-V86 PolarHBondContact O-N 3.45Å; I83-V86 VanDerWaalsContact O-N 3.15Å; V86-Y89 PolarHBondContact O-N 3.21Å; V86-A90 WeakPolarHBondContact O-CB 3.37Å; V86-A90 PolarHBondContact O-N 2.87Å; V86-L120 HydrophobicContact CG1-CB 4.19Å; V86-L120 HydrophobicContact CG1-CD2 4.16Å; V86-V123 HydrophobicContact CG1-CG1 4.32Å; V86-V124 HydrophobicContact CB-CG2 4.21Å; V86-V124 HydrophobicContact CG1-CG2 3.83Å
87E97.8Very high97Very high63 Ų6347.1 Ų47.129%0.29425%0.248SC..Hα-helixtrans-59.9-53.4177-173.8-178.2122.500111.6I83 P84 Y85 Y89 A90 L91 V124 I134I83-E87 PolarHBondContact O-N 3.48Å; P84-E87 PolarHBondContact O-N 2.95Å; Y85-E87 VanDerWaalsContact C-N 3.34Å; Y85-E87 PolarHBondContact O-N 3.07Å; E87-Y89 VanDerWaalsContact C-N 3.26Å; E87-Y89 PolarHBondContact O-N 3.15Å; E87-A90 WeakPolarHBondContact O-CB 2.97Å; E87-A90 PolarHBondContact O-N 2.9Å; E87-A90 VanDerWaalsContact O-N 3.09Å; E87-L91 HydrophobicContact CG-CD1 4.45Å; E87-L91 WeakPolarHBondContact O-CG 3.29Å; E87-L91 PolarHBondContact O-N 3.24Å; E87-V124 HydrophobicContact CB-CG1 4.15Å; E87-V124 HydrophobicContact CB-CG2 3.88Å; E87-V124 HydrophobicContact CG-CG1 4.32Å; E87-I134 HydrophobicContact CG-CD1 4.05Å
88Q97.7Very high97Very high112 Ų11247.3 Ų47.352%0.52324%0.241SC..Hα-helixtrans-59.5-39.9-179.9-170.6-172.314.600111.7P84 Y85 L91 K92P84-Q88 WeakPolarHBondContact O-CB 3.31Å; P84-Q88 PolarHBondContact O-N 2.92Å; Y85-Q88 PolarHBondContact O-N 2.95Å; Q88-L91 PolarHBondContact O-N 3.48Å; Q88-K92 WeakPolarHBondContact O-CG 3.46Å; Q88-K92 PolarHBondContact O-N 2.62Å; Q88-K92 VanDerWaalsContact O-N 3.13Å
89Y98.1Very high97.1Very high22 Ų2249.2 Ų49.29%0.08625%0.248CC..Hα-helixtrans-67.5-40.5176.8-176.3-99.2000112H23 I30 Y85 V86 E87 L91 K92 L93 L120 Q191 I195H23-Y89 AromaticContact CD2-CE1 3.85Å; H23-Y89 AromaticContact CD2-CZ 3.82Å; H23-Y89 PolarHBondContact CD2-OH 3.49Å; H23-Y89 AromaticContact NE2-CE1 3.4Å; H23-Y89 WeakPolarHBondContact NE2-CE1 3.33Å; H23-Y89 AromaticContact NE2-CZ 3.53Å; H23-Y89 PolarHBondContact NE2-OH 3.04Å; I30-Y89 HydrophobicContact CD1-CD1 3.38Å; I30-Y89 HydrophobicContact CD1-CE1 4Å; I30-Y89 HydrophobicContact CD1-CG 3.89Å; I30-Y89 HydrophobicContact CG1-CD1 3.63Å; I30-Y89 HydrophobicContact CG1-CE1 3.74Å; I30-Y89 HydrophobicContact CG1-CG 4.18Å; I30-Y89 HydrophobicContact CG2-CE1 4.39Å; Y85-Y89 VanDerWaalsContact O-CB 3.32Å; Y85-Y89 WeakPolarHBondContact O-CB 3.44Å; Y85-Y89 PolarHBondContact O-N 3.12Å; V86-Y89 PolarHBondContact O-N 3.21Å; E87-Y89 VanDerWaalsContact C-N 3.26Å; E87-Y89 PolarHBondContact O-N 3.15Å; Y89-L91 VanDerWaalsContact C-N 3.33Å; Y89-L91 PolarHBondContact O-N 3.05Å; Y89-K92 PolarHBondContact O-N 3.48Å; Y89-L93 HydrophobicContact CD1-CD1 4.18Å; Y89-L93 HydrophobicContact CD1-CG 4.37Å; Y89-L93 HydrophobicContact CE1-CD1 3.67Å; Y89-L93 HydrophobicContact CE1-CD2 4.38Å; Y89-L93 HydrophobicContact CE1-CG 4.04Å; Y89-L93 PolarHBondContact O-N 2.95Å; Y89-L93 VanDerWaalsContact O-N 3.07Å; Y89-L120 HydrophobicContact CD1-CD1 3.56Å; Y89-L120 HydrophobicContact CE1-CD1 3.86Å; Y89-Q191 PolarHBondContact OH-NE2 3.47Å; Y89-I195 HydrophobicContact CD2-CD1 4.01Å; Y89-I195 HydrophobicContact CE2-CD1 4.46Å
90A98.2Very high97.3Very high0 Ų048.5 Ų48.50%024%0.242CC..Hα-helixtrans-60.6-41.9175.200000112.2V86 E87 L93 F94 L120 L121V86-A90 WeakPolarHBondContact O-CB 3.37Å; V86-A90 PolarHBondContact O-N 2.87Å; E87-A90 WeakPolarHBondContact O-CB 2.97Å; E87-A90 PolarHBondContact O-N 2.9Å; E87-A90 VanDerWaalsContact O-N 3.09Å; A90-L93 PolarHBondContact O-N 2.96Å; A90-F94 PolarHBondContact O-N 3.24Å; A90-L120 HydrophobicContact CB-CB 3.54Å; A90-L120 HydrophobicContact CB-CD1 4.23Å; A90-L121 HydrophobicContact CB-CD2 3.79Å; A90-L121 HydrophobicContact CB-CG 3.94Å
91L97.8Very high97.3Very high51 Ų5143 Ų4327%0.26721%0.208SC..Hα-helixtrans-63.5-39.9175.7-67177.4000112E87 Q88 Y89 L93 F94 D95 I134 T137E87-L91 HydrophobicContact CG-CD1 4.45Å; E87-L91 WeakPolarHBondContact O-CG 3.29Å; E87-L91 PolarHBondContact O-N 3.24Å; Q88-L91 PolarHBondContact O-N 3.48Å; Y89-L91 VanDerWaalsContact C-N 3.33Å; Y89-L91 PolarHBondContact O-N 3.05Å; L91-L93 PolarHBondContact O-N 3.25Å; L91-F94 WeakPolarHBondContact O-CB 3.48Å; L91-F94 PolarHBondContact O-N 3.46Å; L91-D95 PolarHBondContact O-N 2.94Å; L91-I134 HydrophobicContact CD1-CD1 4.12Å; L91-I134 HydrophobicContact CD2-CD1 3.97Å; L91-I134 HydrophobicContact CG-CD1 4.41Å; L91-T137 HydrophobicContact CD2-CG2 4.06Å
92K98Very high97.2Very high73 Ų7343.9 Ų43.932%0.31721%0.211SC..Hα-helixtrans-64.3-39.4174.9-72.3175.6-178.7172.60112.8Q88 Y89 F94 A96 I195Q88-K92 WeakPolarHBondContact O-CG 3.46Å; Q88-K92 PolarHBondContact O-N 2.62Å; Q88-K92 VanDerWaalsContact O-N 3.13Å; Y89-K92 PolarHBondContact O-N 3.48Å; K92-F94 VanDerWaalsContact C-N 3.32Å; K92-A96 WeakPolarHBondContact O-CB 3.23Å; K92-A96 PolarHBondContact O-N 3.25Å; K92-I195 HydrophobicContact CD-CD1 3.26Å; K92-I195 HydrophobicContact CD-CG1 3.87Å; K92-I195 VanDerWaalsContact NZ-CD1 3.29Å
93L97.8Very high97.1Very high6 Ų649.5 Ų49.53%0.03124%0.241CC..Hα-helixtrans-65.4-39173.5-64.6-173.8000111.4Y89 A90 L91 A96 A97 L113 A117 L120Y89-L93 HydrophobicContact CD1-CD1 4.18Å; Y89-L93 HydrophobicContact CD1-CG 4.37Å; Y89-L93 HydrophobicContact CE1-CD1 3.67Å; Y89-L93 HydrophobicContact CE1-CD2 4.38Å; Y89-L93 HydrophobicContact CE1-CG 4.04Å; Y89-L93 PolarHBondContact O-N 2.95Å; Y89-L93 VanDerWaalsContact O-N 3.07Å; A90-L93 PolarHBondContact O-N 2.96Å; L91-L93 PolarHBondContact O-N 3.25Å; L93-A96 PolarHBondContact O-N 3.11Å; L93-A97 WeakPolarHBondContact O-CB 3.17Å; L93-A97 PolarHBondContact O-N 3.39Å; L93-L113 HydrophobicContact CD2-CD2 3.94Å; L93-A117 HydrophobicContact CB-CB 4.03Å; L93-L120 HydrophobicContact CD1-CD1 3.87Å
94F97.8Very high96.9Very high24 Ų2452 Ų5211%0.10526%0.261CS..Hα-helixtrans-60.9-50.8174.9180-88.6000111.3A90 L91 K92 A96 A97 Y98 F114 A117 T137 Y140 A141A90-F94 PolarHBondContact O-N 3.24Å; L91-F94 WeakPolarHBondContact O-CB 3.48Å; L91-F94 PolarHBondContact O-N 3.46Å; K92-F94 VanDerWaalsContact C-N 3.32Å; F94-A96 VanDerWaalsContact C-N 3.3Å; F94-A96 PolarHBondContact O-N 3.26Å; F94-A97 WeakPolarHBondContact O-CB 3.37Å; F94-A97 PolarHBondContact O-N 3.36Å; F94-A97 VanDerWaalsContact O-N 3.1Å; F94-Y98 WeakPolarHBondContact O-CB 3.31Å; F94-Y98 PolarHBondContact O-N 3.44Å; F94-F114 HydrophobicContact CD2-CD1 4.46Å; F94-F114 HydrophobicContact CD2-CE1 4.36Å; F94-F114 HydrophobicContact CE2-CE1 4.24Å; F94-A117 HydrophobicContact CB-CB 3.98Å; F94-T137 HydrophobicContact CB-CG2 4.22Å; F94-T137 HydrophobicContact CD1-CG2 3.86Å; F94-T137 HydrophobicContact CD2-CG2 3.38Å; F94-T137 HydrophobicContact CE1-CG2 4.02Å; F94-T137 HydrophobicContact CE2-CG2 3.5Å; F94-T137 WeakPolarHBondContact CE2-O 3.46Å; F94-T137 HydrophobicContact CG-CG2 3.54Å; F94-T137 HydrophobicContact CZ-CG2 3.85Å; F94-Y140 AromaticContact CE2-CD1 3.48Å; F94-Y140 HydrophobicContact CE2-CD1 3.48Å; F94-Y140 VanDerWaalsContact CE2-CD1 3.48Å; F94-Y140 HydrophobicContact CE2-CE1 4.23Å; F94-Y140 HydrophobicContact CE2-CG 4.22Å; F94-Y140 AromaticContact CZ-CD1 3.52Å; F94-Y140 HydrophobicContact CZ-CD1 3.52Å; F94-Y140 HydrophobicContact CZ-CE1 4.01Å; F94-Y140 HydrophobicContact CZ-CG 4.15Å; F94-A141 HydrophobicContact CD2-CB 3.9Å; F94-A141 HydrophobicContact CE2-CB 4.06Å
95D97.4Very high96.8Very high92 Ų9251.3 Ų51.349%0.49225%0.253SS..Hα-helixtrans-59-44.1179.4-71.4-22.1000110.8L91 A97 Y98 Q99L91-D95 PolarHBondContact O-N 2.94Å; D95-A97 PolarHBondContact O-N 3.49Å; D95-Y98 PolarHBondContact O-N 3.09Å; D95-Q99 WeakPolarHBondContact O-CB 3.37Å; D95-Q99 VanDerWaalsContact O-CG 3.26Å; D95-Q99 WeakPolarHBondContact O-CG 3.26Å; D95-Q99 PolarHBondContact O-N 3.41Å
96A97.5Very high96.6Very high19 Ų1949.3 Ų49.316%0.15725%0.245CC..Hα-helixtrans-61.5-41.8175.300000112.6K92 L93 F94 R100 L113 P192K92-A96 WeakPolarHBondContact O-CB 3.23Å; K92-A96 PolarHBondContact O-N 3.25Å; L93-A96 PolarHBondContact O-N 3.11Å; F94-A96 VanDerWaalsContact C-N 3.3Å; F94-A96 PolarHBondContact O-N 3.26Å; A96-R100 WeakPolarHBondContact O-CG 3.36Å; A96-R100 PolarHBondContact O-N 2.69Å; A96-L113 HydrophobicContact CB-CD1 4.12Å; A96-P192 HydrophobicContact CB-CG 3.46Å; A96-P192 VanDerWaalsContact CB-CG 3.46Å
97A96.7Very high96.3Very high0 Ų050.2 Ų50.20%026%0.255CS..Hα-helixtrans-64.8-44.2175.700000111.6L93 F94 D95 R100 D101 L113 F114L93-A97 WeakPolarHBondContact O-CB 3.17Å; L93-A97 PolarHBondContact O-N 3.39Å; F94-A97 WeakPolarHBondContact O-CB 3.37Å; F94-A97 PolarHBondContact O-N 3.36Å; F94-A97 VanDerWaalsContact O-N 3.1Å; D95-A97 PolarHBondContact O-N 3.49Å; A97-R100 PolarHBondContact O-N 3.44Å; A97-D101 WeakPolarHBondContact O-CB 3.48Å; A97-D101 PolarHBondContact O-N 2.95Å; A97-L113 HydrophobicContact CB-CB 3.59Å; A97-F114 HydrophobicContact CB-CB 4.36Å; A97-F114 HydrophobicContact CB-CD1 3.49Å; A97-F114 VanDerWaalsContact CB-CD1 3.49Å; A97-F114 HydrophobicContact CB-CD2 3.74Å; A97-F114 HydrophobicContact CB-CE1 3.55Å; A97-F114 HydrophobicContact CB-CE2 3.81Å; A97-F114 HydrophobicContact CB-CG 3.58Å; A97-F114 HydrophobicContact CB-CZ 3.71Å
98Y96Very high96.1Very high70 Ų7048.9 Ų48.928%0.27525%0.251SS..Hα-helixtrans-63-43.5179.6-175.5-101.5000111.4F94 D95 R100 D101 I102 Y140F94-Y98 WeakPolarHBondContact O-CB 3.31Å; F94-Y98 PolarHBondContact O-N 3.44Å; D95-Y98 PolarHBondContact O-N 3.09Å; Y98-R100 VanDerWaalsContact C-N 3.3Å; Y98-R100 PolarHBondContact O-N 2.78Å; Y98-D101 WeakPolarHBondContact O-CB 3.41Å; Y98-D101 PolarHBondContact O-N 3.29Å; Y98-I102 HydrophobicContact CD1-CG2 4.16Å; Y98-I102 HydrophobicContact CD2-CG2 4.45Å; Y98-I102 HydrophobicContact CE1-CD1 4.38Å; Y98-I102 HydrophobicContact CE1-CG2 3.69Å; Y98-I102 HydrophobicContact CE2-CG2 4.02Å; Y98-I102 WeakPolarHBondContact O-CG1 3.27Å; Y98-I102 WeakPolarHBondContact O-CG2 3.41Å; Y98-I102 PolarHBondContact O-N 2.91Å; Y98-Y140 HydrophobicContact CD2-CE1 4Å; Y98-Y140 HydrophobicContact CE2-CE1 4.48Å; Y98-Y140 WeakPolarHBondContact CE2-OH 3.5Å
99Q97Very high95.9Very high101 Ų10145 Ų4547%0.47224%0.239SC..Hα-helixtrans-60.6-38.2174.9-71.1-57.6-46.600112.2D95 I102 N103D95-Q99 WeakPolarHBondContact O-CB 3.37Å; D95-Q99 VanDerWaalsContact O-CG 3.26Å; D95-Q99 WeakPolarHBondContact O-CG 3.26Å; D95-Q99 PolarHBondContact O-N 3.41Å; Q99-I102 VanDerWaalsContact O-CG1 3.31Å; Q99-I102 WeakPolarHBondContact O-CG1 3.44Å; Q99-N103 WeakPolarHBondContact O-CB 3.23Å; Q99-N103 VanDerWaalsContact O-CG 3.31Å; Q99-N103 PolarHBondContact O-N 2.64Å; Q99-N103 PolarHBondContact O-ND2 3.04Å
100R96.8Very high95.7Very high72 Ų7244 Ų4427%0.27224%0.235SC..Hα-helixtrans-67.9-44.4174.3-66.4178.88492.90.4111.5A96 A97 Y98 N103 S104 D105 T110A96-R100 WeakPolarHBondContact O-CG 3.36Å; A96-R100 PolarHBondContact O-N 2.69Å; A97-R100 PolarHBondContact O-N 3.44Å; Y98-R100 VanDerWaalsContact C-N 3.3Å; Y98-R100 PolarHBondContact O-N 2.78Å; R100-N103 CarbonylContact O-C 3.43Å; R100-N103 PolarHBondContact O-N 3.47Å; R100-N103 VanDerWaalsContact O-N 3.16Å; R100-S104 PolarHBondContact O-N 3.08Å; R100-D105 HydrophobicContact CB-CB 4.04Å; R100-D105 IonicContact CZ-OD2 3.83Å; R100-D105 IonicContact NE-OD1 2.82Å; R100-D105 IonicContact NE-OD2 3.58Å; R100-D105 PolarHBondContact NE-OD2 3.38Å; R100-D105 VanDerWaalsContact NE-OD2 3.13Å; R100-D105 IonicContact NH1-OD2 3.97Å; R100-D105 IonicContact NH2-OD1 2.61Å; R100-D105 IonicContact NH2-OD2 2.95Å; R100-D105 PolarHBondContact NH2-OD2 2.61Å; R100-D105 WeakPolarHBondContact O-CB 3.38Å; R100-D105 PolarHBondContact O-N 2.96Å; R100-T110 HydrophobicContact CB-CG2 3.97Å; R100-T110 WeakPolarHBondContact CB-OG1 3.48Å; R100-T110 WeakPolarHBondContact CD-OG1 3.47Å; R100-T110 PolarHBondContact NE-OG1 2.72Å; R100-T110 VanDerWaalsContact NE-OG1 3.14Å
101D94.5Very high95.6Very high0 Ų044.1 Ų44.10%024%0.235CC..Hα-helixtrans-59.9-46.7179.3179.773000113A97 Y98 N103 S104 F106 F114 Y140 K144 A160 G161A97-D101 WeakPolarHBondContact O-CB 3.48Å; A97-D101 PolarHBondContact O-N 2.95Å; Y98-D101 WeakPolarHBondContact O-CB 3.41Å; Y98-D101 PolarHBondContact O-N 3.29Å; D101-N103 PolarHBondContact O-N 2.92Å; D101-S104 PolarHBondContact O-N 3.21Å; D101-F106 WeakPolarHBondContact OD1-CE1 3.22Å; D101-F114 HydrophobicContact CB-CE2 3.92Å; D101-F114 HydrophobicContact CB-CZ 3.97Å; D101-Y140 PolarHBondContact OD2-OH 3.39Å; D101-K144 VanDerWaalsContact OD1-CE 3.32Å; D101-K144 WeakPolarHBondContact OD1-CE 3.45Å; D101-K144 IonicContact OD1-NZ 2.75Å; D101-K144 PolarHBondContact OD1-NZ 3.25Å; D101-K144 WeakPolarHBondContact OD2-CE 3.3Å; D101-K144 IonicContact OD2-NZ 2.85Å; D101-K144 PolarHBondContact OD2-NZ 3.11Å; D101-A160 WeakPolarHBondContact O-CA 3.36Å; D101-A160 WeakPolarHBondContact O-CB 3.11Å; D101-G161 VanDerWaalsContact OD2-CA 3.22Å; D101-G161 WeakPolarHBondContact OD2-CA 3.37Å; D101-G161 PolarHBondContact OD2-N 3.32Å
102I94.6Very high95.5Very high63 Ų6343.4 Ų43.432%0.32323%0.23SC..Hα-helixtrans-67-27.8177.366.7177.6000112.4Y98 Q99 S104Y98-I102 HydrophobicContact CD1-CG2 4.16Å; Y98-I102 HydrophobicContact CD2-CG2 4.45Å; Y98-I102 HydrophobicContact CE1-CD1 4.38Å; Y98-I102 HydrophobicContact CE1-CG2 3.69Å; Y98-I102 HydrophobicContact CE2-CG2 4.02Å; Y98-I102 WeakPolarHBondContact O-CG1 3.27Å; Y98-I102 WeakPolarHBondContact O-CG2 3.41Å; Y98-I102 PolarHBondContact O-N 2.91Å; Q99-I102 VanDerWaalsContact O-CG1 3.31Å; Q99-I102 WeakPolarHBondContact O-CG1 3.44Å; I102-S104 PolarHBondContact O-N 2.85Å
103N95.1Very high95.4Very high118 Ų11840.7 Ų40.763%0.63122%0.219SC*.THydrogen-bonded Turntrans-8511.8174.7-70.5-45.1000112.7Q99 R100 D101 D105Q99-N103 WeakPolarHBondContact O-CB 3.23Å; Q99-N103 VanDerWaalsContact O-CG 3.31Å; Q99-N103 PolarHBondContact O-N 2.64Å; Q99-N103 PolarHBondContact O-ND2 3.04Å; R100-N103 CarbonylContact O-C 3.43Å; R100-N103 PolarHBondContact O-N 3.47Å; R100-N103 VanDerWaalsContact O-N 3.16Å; D101-N103 PolarHBondContact O-N 2.92Å; N103-D105 PolarHBondContact O-N 2.83Å
104S94.5Very high95.4Very high74 Ų7440.4 Ų40.452%0.51722%0.217SC..THydrogen-bonded Turntrans58.624.2-179-530000114.4R100 D101 I102 F106R100-S104 PolarHBondContact O-N 3.08Å; D101-S104 PolarHBondContact O-N 3.21Å; I102-S104 PolarHBondContact O-N 2.85Å; S104-F106 WeakPolarHBondContact O-CD2 3.44Å; S104-F106 PolarHBondContact O-N 3.12Å
105D94.4Very high95.3Very high57 Ų5740.2 Ų40.231%0.30522%0.218SC..  trans-8995170.7-179.7-9000109.2R100 N103 G107 T110R100-D105 HydrophobicContact CB-CB 4.04Å; R100-D105 IonicContact CZ-OD2 3.83Å; R100-D105 IonicContact NE-OD1 2.82Å; R100-D105 IonicContact NE-OD2 3.58Å; R100-D105 PolarHBondContact NE-OD2 3.38Å; R100-D105 VanDerWaalsContact NE-OD2 3.13Å; R100-D105 IonicContact NH1-OD2 3.97Å; R100-D105 IonicContact NH2-OD1 2.61Å; R100-D105 IonicContact NH2-OD2 2.95Å; R100-D105 PolarHBondContact NH2-OD2 2.61Å; R100-D105 WeakPolarHBondContact O-CB 3.38Å; R100-D105 PolarHBondContact O-N 2.96Å; N103-D105 PolarHBondContact O-N 2.83Å; D105-G107 PolarHBondContact OD1-N 3.26Å; D105-T110 WeakPolarHBondContact O-CB 3.33Å; D105-T110 WeakPolarHBondContact O-CG2 3.34Å; D105-T110 PolarHBondContact O-OG1 2.93Å
106F93.4Very high95.3Very high19 Ų1936.3 Ų36.38%0.08320%0.198CC..  trans-99.123-179.4-53.5-57.8000112.7D101 S104 I148 L152 V157 P158 A160D101-F106 WeakPolarHBondContact OD1-CE1 3.22Å; S104-F106 WeakPolarHBondContact O-CD2 3.44Å; S104-F106 PolarHBondContact O-N 3.12Å; F106-I148 HydrophobicContact CB-CG2 4Å; F106-I148 HydrophobicContact CD1-CD1 4.16Å; F106-I148 HydrophobicContact CD1-CG1 4.29Å; F106-L152 WeakPolarHBondContact O-CD1 3.32Å; F106-L152 WeakPolarHBondContact O-CD2 3.38Å; F106-V157 HydrophobicContact CE2-CG1 4.3Å; F106-P158 HydrophobicContact CB-CG 3.8Å; F106-P158 HydrophobicContact CD1-CB 3.74Å; F106-P158 HydrophobicContact CD1-CG 3.94Å; F106-P158 HydrophobicContact CD2-CB 3.97Å; F106-P158 HydrophobicContact CD2-CG 3.82Å; F106-P158 HydrophobicContact CE1-CB 3.83Å; F106-P158 HydrophobicContact CE1-CG 4.49Å; F106-P158 HydrophobicContact CE2-CB 4.04Å; F106-P158 HydrophobicContact CE2-CG 4.37Å; F106-P158 WeakPolarHBondContact CE2-O 3.47Å; F106-P158 HydrophobicContact CG-CB 3.8Å; F106-P158 HydrophobicContact CG-CG 3.56Å; F106-P158 HydrophobicContact CZ-CB 3.96Å; F106-P158 VanDerWaalsContact CZ-O 3.24Å; F106-P158 WeakPolarHBondContact CZ-O 3.38Å; F106-A160 HydrophobicContact CE1-CB 4.48Å; F106-A160 HydrophobicContact CZ-CB 3.92Å
107G91.8Very high95.3Very high19 Ų1935.4 Ų35.420%0.19619%0.19CC..SBendtrans-62.2167.9-178.900000113.7D105 A109 T110 V111D105-G107 PolarHBondContact OD1-N 3.26Å; G107-A109 PolarHBondContact O-N 3.28Å; G107-A109 VanDerWaalsContact O-N 3.11Å; G107-T110 WeakPolarHBondContact O-CB 3.47Å; G107-T110 PolarHBondContact O-N 3.28Å; G107-V111 PolarHBondContact O-N 2.99Å
108P92.6Very high95.3Very high34 Ų3435.4 Ų35.422%0.22119%0.19CC..Hα-helixtrans-49.8-34.6172.4-31.339.6000114.2T110 V111 K112 F184 E187P108-T110 VanDerWaalsContact C-N 3.35Å; P108-T110 PolarHBondContact O-N 3.15Å; P108-V111 PolarHBondContact O-N 3.37Å; P108-K112 WeakPolarHBondContact O-CB 3.23Å; P108-K112 PolarHBondContact O-N 3.48Å; P108-F184 HydrophobicContact CB-CB 4.13Å; P108-F184 HydrophobicContact CB-CD1 3.59Å; P108-F184 HydrophobicContact CB-CG 4.28Å; P108-F184 HydrophobicContact CG-CD1 3.75Å; P108-F184 HydrophobicContact CG-CE1 4.3Å; P108-E187 VanDerWaalsContact CB-OE2 3.22Å; P108-E187 WeakPolarHBondContact CB-OE2 3.25Å; P108-E187 WeakPolarHBondContact CD-OE2 3.22Å; P108-E187 WeakPolarHBondContact CG-OE2 3.43Å
109A93.7Very high95.4Very high32 Ų3232.1 Ų32.126%0.26418%0.177SC..Hα-helixtrans-59.3-42.6175.400000112.5G107 K112 L113G107-A109 PolarHBondContact O-N 3.28Å; G107-A109 VanDerWaalsContact O-N 3.11Å; A109-K112 PolarHBondContact O-N 2.84Å; A109-L113 WeakPolarHBondContact O-CG 3.39Å; A109-L113 PolarHBondContact O-N 3.46Å
110T94.9Very high95.5Very high0 Ų027.3 Ų27.30%016%0.155CC..Hα-helixtrans-64.1-43.4177.7-54.80000111.1R100 D105 G107 P108 K112 L113 F114 I148R100-T110 HydrophobicContact CB-CG2 3.97Å; R100-T110 WeakPolarHBondContact CB-OG1 3.48Å; R100-T110 WeakPolarHBondContact CD-OG1 3.47Å; R100-T110 PolarHBondContact NE-OG1 2.72Å; R100-T110 VanDerWaalsContact NE-OG1 3.14Å; D105-T110 WeakPolarHBondContact O-CB 3.33Å; D105-T110 WeakPolarHBondContact O-CG2 3.34Å; D105-T110 PolarHBondContact O-OG1 2.93Å; G107-T110 WeakPolarHBondContact O-CB 3.47Å; G107-T110 PolarHBondContact O-N 3.28Å; P108-T110 VanDerWaalsContact C-N 3.35Å; P108-T110 PolarHBondContact O-N 3.15Å; T110-K112 PolarHBondContact O-N 3.2Å; T110-L113 PolarHBondContact O-N 3.16Å; T110-F114 HydrophobicContact CG2-CD2 3.98Å; T110-F114 HydrophobicContact CG2-CE2 3.82Å; T110-F114 WeakPolarHBondContact O-CD2 3.44Å; T110-F114 PolarHBondContact O-N 3.03Å; T110-I148 HydrophobicContact CG2-CD1 4.03Å
111V95.7Very high95.5Very high2 Ų223.9 Ų23.91%0.01214%0.142CC..Hα-helixtrans-59.4-46.3173.51770000110.9G107 P108 L113 F114 L115 I148 S149 L152 F184G107-V111 PolarHBondContact O-N 2.99Å; P108-V111 PolarHBondContact O-N 3.37Å; V111-L113 VanDerWaalsContact C-N 3.34Å; V111-L113 PolarHBondContact O-N 2.8Å; V111-F114 PolarHBondContact O-N 2.82Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 PolarHBondContact O-N 2.74Å; V111-I148 HydrophobicContact CG2-CB 3.95Å; V111-I148 HydrophobicContact CG2-CG2 3.44Å; V111-I148 VanDerWaalsContact CG2-CG2 3.44Å; V111-S149 WeakPolarHBondContact CG1-OG 3.26Å; V111-L152 HydrophobicContact CG2-CD1 4.03Å; V111-F184 HydrophobicContact CB-CD2 4.46Å; V111-F184 HydrophobicContact CG1-CD2 3.88Å; V111-F184 HydrophobicContact CG1-CE2 4.24Å; V111-F184 HydrophobicContact CG1-CG 4.35Å
112K95Very high95.6Very high36 Ų3624.7 Ų24.716%0.15715%0.146CC..Hα-helixtrans-63.1-38.4-179.5-172.7173.7-175.1170.20112.3D22 P108 A109 T110 S116D22-K112 VanDerWaalsContact CG-CE 3.42Å; D22-K112 VanDerWaalsContact CG-NZ 3.29Å; D22-K112 IonicContact OD1-NZ 2.85Å; D22-K112 PolarHBondContact OD1-NZ 2.92Å; D22-K112 WeakPolarHBondContact OD2-CE 3.46Å; D22-K112 IonicContact OD2-NZ 3.46Å; D22-K112 PolarHBondContact OD2-NZ 2.97Å; P108-K112 WeakPolarHBondContact O-CB 3.23Å; P108-K112 PolarHBondContact O-N 3.48Å; A109-K112 PolarHBondContact O-N 2.84Å; T110-K112 PolarHBondContact O-N 3.2Å; K112-S116 VanDerWaalsContact O-CB 3.31Å; K112-S116 WeakPolarHBondContact O-CB 3.38Å; K112-S116 PolarHBondContact O-N 3.48Å; K112-S116 PolarHBondContact O-OG 3.42Å
113L96.9Very high95.8Very high16 Ų1621.8 Ų21.88%0.08413%0.131CC..Hα-helixtrans-66.2-49.8175.8-71.1168.7000111.4L93 A96 A97 A109 T110 V111 L115 S116 A117L93-L113 HydrophobicContact CD2-CD2 3.94Å; A96-L113 HydrophobicContact CB-CD1 4.12Å; A97-L113 HydrophobicContact CB-CB 3.59Å; A109-L113 WeakPolarHBondContact O-CG 3.39Å; A109-L113 PolarHBondContact O-N 3.46Å; T110-L113 PolarHBondContact O-N 3.16Å; V111-L113 VanDerWaalsContact C-N 3.34Å; V111-L113 PolarHBondContact O-N 2.8Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L113-L115 PolarHBondContact O-N 3.48Å; L113-S116 PolarHBondContact O-N 3.18Å; L113-A117 WeakPolarHBondContact O-CB 3.4Å; L113-A117 PolarHBondContact O-N 3.25Å
114F97.1Very high95.9Very high0 Ų016.4 Ų16.40%010%0.103CC..Hα-helixtrans-60.9-41175.6-82-55.9000112.3F94 A97 D101 T110 V111 A117 A118 Y140 A141 K144 A145 I148F94-F114 HydrophobicContact CD2-CD1 4.46Å; F94-F114 HydrophobicContact CD2-CE1 4.36Å; F94-F114 HydrophobicContact CE2-CE1 4.24Å; A97-F114 HydrophobicContact CB-CB 4.36Å; A97-F114 HydrophobicContact CB-CD1 3.49Å; A97-F114 VanDerWaalsContact CB-CD1 3.49Å; A97-F114 HydrophobicContact CB-CD2 3.74Å; A97-F114 HydrophobicContact CB-CE1 3.55Å; A97-F114 HydrophobicContact CB-CE2 3.81Å; A97-F114 HydrophobicContact CB-CG 3.58Å; A97-F114 HydrophobicContact CB-CZ 3.71Å; D101-F114 HydrophobicContact CB-CE2 3.92Å; D101-F114 HydrophobicContact CB-CZ 3.97Å; T110-F114 HydrophobicContact CG2-CD2 3.98Å; T110-F114 HydrophobicContact CG2-CE2 3.82Å; T110-F114 WeakPolarHBondContact O-CD2 3.44Å; T110-F114 PolarHBondContact O-N 3.03Å; V111-F114 PolarHBondContact O-N 2.82Å; F114-A117 PolarHBondContact O-N 3.18Å; F114-A118 WeakPolarHBondContact O-CB 3.34Å; F114-A118 PolarHBondContact O-N 2.83Å; F114-Y140 HydrophobicContact CE1-CD1 4.06Å; F114-Y140 AromaticContact CE1-CE1 3.75Å; F114-Y140 HydrophobicContact CE1-CE1 3.75Å; F114-Y140 AromaticContact CZ-CE1 3.93Å; F114-Y140 HydrophobicContact CZ-CE1 3.93Å; F114-A141 HydrophobicContact CD1-CB 4.22Å; F114-K144 HydrophobicContact CD1-CB 4.1Å; F114-K144 HydrophobicContact CD2-CB 3.74Å; F114-K144 HydrophobicContact CE1-CB 4.1Å; F114-K144 HydrophobicContact CE1-CG 4.31Å; F114-K144 HydrophobicContact CE2-CB 3.72Å; F114-K144 HydrophobicContact CE2-CG 4.07Å; F114-K144 HydrophobicContact CG-CB 3.94Å; F114-K144 HydrophobicContact CZ-CB 3.91Å; F114-K144 HydrophobicContact CZ-CG 3.93Å; F114-A145 HydrophobicContact CB-CB 3.93Å; F114-I148 HydrophobicContact CD2-CD1 4.02Å; F114-I148 HydrophobicContact CE2-CD1 3.89Å
115L96.5Very high95.9Very high21 Ų2114.3 Ų14.311%0.119%0.088CC..Hα-helixtrans-62.7-45.4177.9-177.763.9000111.2V15 V111 L113 A118 T119 A145 I174 L177 T178V15-L115 HydrophobicContact CG2-CD1 4.16Å; V111-L115 WeakPolarHBondContact O-CB 3.41Å; V111-L115 PolarHBondContact O-N 2.74Å; L113-L115 VanDerWaalsContact C-N 3.32Å; L113-L115 PolarHBondContact O-N 3.48Å; L115-A118 PolarHBondContact O-N 3.18Å; L115-T119 WeakPolarHBondContact O-CB 3.04Å; L115-T119 PolarHBondContact O-N 2.99Å; L115-T119 PolarHBondContact O-OG1 2.96Å; L115-A145 HydrophobicContact CB-CB 4.46Å; L115-I174 HydrophobicContact CD1-CB 3.8Å; L115-I174 HydrophobicContact CD1-CD1 3.95Å; L115-I174 HydrophobicContact CD1-CG1 4.28Å; L115-I174 HydrophobicContact CD1-CG2 4.42Å; L115-L177 HydrophobicContact CD1-CB 4.11Å; L115-L177 HydrophobicContact CD1-CD1 4.15Å; L115-L177 HydrophobicContact CD2-CB 4.18Å; L115-T178 HydrophobicContact CD2-CG2 4.01Å
116S97.2Very high95.8Very high10 Ų1013.6 Ų13.67%0.079%0.094CC..Hα-helixtrans-64.8-47177.7-59.50000111.1K112 L113 A118 T119 L120K112-S116 VanDerWaalsContact O-CB 3.31Å; K112-S116 WeakPolarHBondContact O-CB 3.38Å; K112-S116 PolarHBondContact O-N 3.48Å; K112-S116 PolarHBondContact O-OG 3.42Å; L113-S116 PolarHBondContact O-N 3.18Å; S116-A118 PolarHBondContact O-N 2.91Å; S116-T119 PolarHBondContact O-N 3.01Å; S116-L120 VanDerWaalsContact O-CG 3.29Å; S116-L120 WeakPolarHBondContact O-CG 3.44Å; S116-L120 PolarHBondContact O-N 3.46Å
117A97.8Very high95.8Very high0 Ų015.7 Ų15.70%011%0.108CC..Hα-helixtrans-57-50.8175.500000111.4L93 F94 L113 F114 T119 L120 L121L93-A117 HydrophobicContact CB-CB 4.03Å; F94-A117 HydrophobicContact CB-CB 3.98Å; L113-A117 WeakPolarHBondContact O-CB 3.4Å; L113-A117 PolarHBondContact O-N 3.25Å; F114-A117 PolarHBondContact O-N 3.18Å; A117-T119 VanDerWaalsContact C-N 3.3Å; A117-T119 PolarHBondContact O-N 3.08Å; A117-L120 PolarHBondContact O-N 2.96Å; A117-L121 WeakPolarHBondContact O-CB 3.44Å; A117-L121 VanDerWaalsContact O-CG 3.23Å; A117-L121 WeakPolarHBondContact O-CG 3.21Å; A117-L121 PolarHBondContact O-N 3.29Å
118A97Very high95.7Very high0 Ų016.8 Ų16.80%012%0.119CC..Hα-helixtrans-57.7-41.7177.500000112.9F114 L115 S116 D122 A141 K142 I174F114-A118 WeakPolarHBondContact O-CB 3.34Å; F114-A118 PolarHBondContact O-N 2.83Å; L115-A118 PolarHBondContact O-N 3.18Å; S116-A118 PolarHBondContact O-N 2.91Å; A118-D122 PolarHBondContact O-N 3.46Å; A118-A141 HydrophobicContact CB-CB 3.78Å; A118-K142 HydrophobicContact CB-CG 3.7Å; A118-I174 HydrophobicContact CB-CD1 3.89Å
119T97.6Very high95.6Very high1 Ų124.8 Ų24.81%0.00615%0.154CC..Hα-helixtrans-65.6-43.7179.2-55.60000111.2V15 F16 C19 L115 S116 A117 D122 V123V15-T119 HydrophobicContact CG1-CG2 4.45Å; V15-T119 HydrophobicContact CG2-CG2 4.1Å; V15-T119 VanDerWaalsContact CG2-OG1 3.23Å; V15-T119 WeakPolarHBondContact CG2-OG1 3.43Å; F16-T119 HydrophobicContact CD1-CG2 3.43Å; F16-T119 VanDerWaalsContact CD1-CG2 3.43Å; F16-T119 HydrophobicContact CE1-CG2 3.76Å; F16-T119 HydrophobicContact CG-CG2 4.31Å; C19-T119 HydrophobicContact CB-CG2 3.88Å; L115-T119 WeakPolarHBondContact O-CB 3.04Å; L115-T119 PolarHBondContact O-N 2.99Å; L115-T119 PolarHBondContact O-OG1 2.96Å; S116-T119 PolarHBondContact O-N 3.01Å; A117-T119 VanDerWaalsContact C-N 3.3Å; A117-T119 PolarHBondContact O-N 3.08Å; T119-D122 WeakPolarHBondContact O-CB 3.32Å; T119-D122 PolarHBondContact O-N 3.26Å; T119-V123 WeakPolarHBondContact O-CG2 3.21Å; T119-V123 PolarHBondContact O-N 2.95Å
120L98.2Very high95.6Very high0 Ų024.7 Ų24.70%015%0.15CC..Hα-helixtrans-71.6-35.4179.6-64.4176000112I30 C34 V86 Y89 A90 L93 S116 A117 D122 V123 V124I30-L120 HydrophobicContact CD1-CD1 4.29Å; I30-L120 HydrophobicContact CD1-CD2 4.34Å; I30-L120 HydrophobicContact CG2-CD1 4.34Å; I30-L120 HydrophobicContact CG2-CD2 3.69Å; C34-L120 WeakPolarHBondContact SG-CD2 3.42Å; V86-L120 HydrophobicContact CG1-CB 4.19Å; V86-L120 HydrophobicContact CG1-CD2 4.16Å; Y89-L120 HydrophobicContact CD1-CD1 3.56Å; Y89-L120 HydrophobicContact CE1-CD1 3.86Å; A90-L120 HydrophobicContact CB-CB 3.54Å; A90-L120 HydrophobicContact CB-CD1 4.23Å; L93-L120 HydrophobicContact CD1-CD1 3.87Å; S116-L120 VanDerWaalsContact O-CG 3.29Å; S116-L120 WeakPolarHBondContact O-CG 3.44Å; S116-L120 PolarHBondContact O-N 3.46Å; A117-L120 PolarHBondContact O-N 2.96Å; L120-D122 VanDerWaalsContact C-N 3.27Å; L120-D122 PolarHBondContact O-N 2.76Å; L120-V123 WeakPolarHBondContact O-CA 3.32Å; L120-V123 VanDerWaalsContact O-CB 3.31Å; L120-V123 WeakPolarHBondContact O-CB 3.39Å; L120-V123 PolarHBondContact O-N 2.85Å; L120-V123 VanDerWaalsContact O-N 3.08Å; L120-V124 WeakPolarHBondContact O-CG2 3.14Å; L120-V124 PolarHBondContact O-N 3.24Å
121L97.6Very high95.4Very high0 Ų027 Ų270%017%0.173CC..Hα-helixtrans-66.3-31.1171.5-64.9172.9000111.7A90 A117 S125 I134 T137 R138A90-L121 HydrophobicContact CB-CD2 3.79Å; A90-L121 HydrophobicContact CB-CG 3.94Å; A117-L121 WeakPolarHBondContact O-CB 3.44Å; A117-L121 VanDerWaalsContact O-CG 3.23Å; A117-L121 WeakPolarHBondContact O-CG 3.21Å; A117-L121 PolarHBondContact O-N 3.29Å; L121-S125 WeakPolarHBondContact O-CB 3.36Å; L121-S125 PolarHBondContact O-N 2.82Å; L121-S125 PolarHBondContact O-OG 2.67Å; L121-S125 VanDerWaalsContact O-OG 3.08Å; L121-I134 HydrophobicContact CD2-CG2 4.01Å; L121-T137 HydrophobicContact CD1-CG2 3.71Å; L121-R138 HydrophobicContact CB-CB 3.84Å; L121-R138 HydrophobicContact CB-CG 3.74Å; L121-R138 HydrophobicContact CD1-CB 4Å
122D96.8Very high95.2Very high17 Ų1732.9 Ų32.99%0.09121%0.205CC..Hα-helixtrans-63.3-41.2167.7-87.3-20.4000112.1F16 H37 A118 T119 L120 S125 G126 R138 K142F16-D122 HydrophobicContact CE1-CB 3.98Å; F16-D122 HydrophobicContact CZ-CB 4.19Å; H37-D122 PolarHBondContact NE2-O 3.45Å; A118-D122 PolarHBondContact O-N 3.46Å; T119-D122 WeakPolarHBondContact O-CB 3.32Å; T119-D122 PolarHBondContact O-N 3.26Å; L120-D122 VanDerWaalsContact C-N 3.27Å; L120-D122 PolarHBondContact O-N 2.76Å; D122-S125 WeakPolarHBondContact CA-OG 3.21Å; D122-S125 PolarHBondContact O-OG 2.73Å; D122-G126 PolarHBondContact O-N 2.78Å; D122-R138 WeakPolarHBondContact OD1-CD 3.42Å; D122-R138 IonicContact OD1-CZ 3.93Å; D122-R138 IonicContact OD1-NE 2.73Å; D122-R138 IonicContact OD1-NH1 3.88Å; D122-R138 PolarHBondContact OD1-NH1 3.1Å; D122-K142 WeakPolarHBondContact OD1-CE 3.34Å; D122-K142 IonicContact OD1-NZ 3.67Å; D122-K142 PolarHBondContact OD1-NZ 3.38Å; D122-K142 WeakPolarHBondContact OD2-CE 3.39Å; D122-K142 IonicContact OD2-NZ 2.82Å; D122-K142 PolarHBondContact OD2-NZ 3.33Å
123V97.5Very high95.1Very high2 Ų236.3 Ų36.31%0.01223%0.225CC..Hα-helixtrans-60-48.7174.9173.30000111.1F16 H37 V86 T119 L120 G126F16-V123 HydrophobicContact CD1-CG2 3.97Å; F16-V123 HydrophobicContact CE1-CG2 4.13Å; H37-V123 HydrophobicContact CB-CB 4.36Å; H37-V123 HydrophobicContact CB-CG1 4.11Å; H37-V123 HydrophobicContact CB-CG2 3.85Å; V86-V123 HydrophobicContact CG1-CG1 4.32Å; T119-V123 WeakPolarHBondContact O-CG2 3.21Å; T119-V123 PolarHBondContact O-N 2.95Å; L120-V123 WeakPolarHBondContact O-CA 3.32Å; L120-V123 VanDerWaalsContact O-CB 3.31Å; L120-V123 WeakPolarHBondContact O-CB 3.39Å; L120-V123 PolarHBondContact O-N 2.85Å; L120-V123 VanDerWaalsContact O-N 3.08Å; V123-G126 PolarHBondContact O-N 2.98Å; V123-G126 VanDerWaalsContact O-N 3.15Å
124V97.2Very high94.9Very high5 Ų536.4 Ų36.43%0.0323%0.225CC..Hα-helixtrans-62.2-49.5179.21780000110.9I83 V86 E87 L120 G126 V127 V130I83-V124 HydrophobicContact CG2-CG1 4.15Å; V86-V124 HydrophobicContact CB-CG2 4.21Å; V86-V124 HydrophobicContact CG1-CG2 3.83Å; E87-V124 HydrophobicContact CB-CG1 4.15Å; E87-V124 HydrophobicContact CB-CG2 3.88Å; E87-V124 HydrophobicContact CG-CG1 4.32Å; L120-V124 WeakPolarHBondContact O-CG2 3.14Å; L120-V124 PolarHBondContact O-N 3.24Å; V124-G126 PolarHBondContact O-N 3.5Å; V124-G126 VanDerWaalsContact O-N 3.12Å; V124-V127 PolarHBondContact O-N 2.86Å; V124-V130 HydrophobicContact CG1-CG1 3.84Å
125S94.9Very high94.7Very high29 Ų2938.3 Ų38.320%0.20323%0.234CC..Hα-helixtrans-65.6-14.4176.971.20000114.2L121 D122 G128 R138L121-S125 WeakPolarHBondContact O-CB 3.36Å; L121-S125 PolarHBondContact O-N 2.82Å; L121-S125 PolarHBondContact O-OG 2.67Å; L121-S125 VanDerWaalsContact O-OG 3.08Å; D122-S125 WeakPolarHBondContact CA-OG 3.21Å; D122-S125 PolarHBondContact O-OG 2.73Å; S125-G128 CarbonylContact C-O 3.49Å; S125-R138 PolarHBondContact OG-NH1 3.14Å
126G93.2Very high94.4Very high42 Ų4243.4 Ų43.443%0.43326%0.255SS..Hα-helixtrans-78.9-21.5178.100000114D122 V123 V124D122-G126 PolarHBondContact O-N 2.78Å; V123-G126 PolarHBondContact O-N 2.98Å; V123-G126 VanDerWaalsContact O-N 3.15Å; V124-G126 PolarHBondContact O-N 3.5Å; V124-G126 VanDerWaalsContact O-N 3.12Å
127V92.6Very high94.3Very high64 Ų6444.2 Ų44.239%0.38826%0.26SS..Hα-helixtrans-89.3-31-179.6-179.90000111.6I83 V124I83-V127 HydrophobicContact CD1-CB 4.41Å; I83-V127 HydrophobicContact CD1-CG2 3.59Å; I83-V127 HydrophobicContact CG1-CG1 4.34Å; I83-V127 HydrophobicContact CG1-CG2 4.15Å; V124-V127 PolarHBondContact O-N 2.86Å
128G90.5Very high94.1Very high41 Ų4146.3 Ų46.342%0.42327%0.268SS..SBendtrans-171.9-178.4-179.900000112.9S125S125-G128 CarbonylContact C-O 3.49Å
129E90.6Very high93.9Very high203 Ų20349.3 Ų49.395%0.94928%0.281SS*.  trans-66.5136.8174.3-171.9172.8-175.500110.6
130V92.6Very high93.7Very high30 Ų3051.2 Ų51.218%0.18229%0.288CS..  trans-115.3154.5179.4-64.80000109.6V124 I134V124-V130 HydrophobicContact CG1-CG1 3.84Å; V130-I134 HydrophobicContact CB-CB 3.95Å; V130-I134 HydrophobicContact CB-CG2 3.72Å; V130-I134 HydrophobicContact CG1-CG2 4.07Å; V130-I134 HydrophobicContact CG2-CB 4.1Å; V130-I134 HydrophobicContact CG2-CG2 3.78Å
131G91.6Very high93.6Very high47 Ų4751.2 Ų51.249%0.48529%0.288SS..  trans-63.7157.5177.500000113.2D133 I134 E135G131-D133 PolarHBondContact O-N 2.92Å; G131-D133 VanDerWaalsContact O-N 3.1Å; G131-I134 WeakPolarHBondContact O-CB 3.22Å; G131-I134 PolarHBondContact O-N 3.39Å; G131-E135 PolarHBondContact O-N 3.13Å; G131-E135 VanDerWaalsContact O-N 3.08Å
132D91.5Very high93.5Very high126 Ų12652.3 Ų52.367%0.67429%0.293SS*.Hα-helixtrans-53-35.3-178.6-75.8-21.7000113.7E135 K136D132-E135 PolarHBondContact O-N 3.22Å; D132-K136 WeakPolarHBondContact O-CB 3.29Å; D132-K136 VanDerWaalsContact O-CG 3.25Å; D132-K136 WeakPolarHBondContact O-CG 3.36Å; D132-K136 PolarHBondContact O-N 3.31Å
133D91.7Very high93.4Very high108 Ų10854.1 Ų54.158%0.57830%0.299SS*.Hα-helixtrans-67.3-40.7179.5-70.8-19000111.7G131 E135 K136 T137G131-D133 PolarHBondContact O-N 2.92Å; G131-D133 VanDerWaalsContact O-N 3.1Å; D133-E135 VanDerWaalsContact C-N 3.34Å; D133-K136 PolarHBondContact O-N 3.48Å; D133-T137 VanDerWaalsContact O-CB 3.27Å; D133-T137 WeakPolarHBondContact O-CB 3.3Å; D133-T137 PolarHBondContact O-N 3.04Å; D133-T137 PolarHBondContact O-OG1 2.84Å
134I93.1Very high93.2Very high18 Ų1854 Ų549%0.09230%0.298CS..Hα-helixtrans-65-42.4174.8-62.2-56.9000109.8E87 L91 L121 V130 G131 T137 R138E87-I134 HydrophobicContact CG-CD1 4.05Å; L91-I134 HydrophobicContact CD1-CD1 4.12Å; L91-I134 HydrophobicContact CD2-CD1 3.97Å; L91-I134 HydrophobicContact CG-CD1 4.41Å; L121-I134 HydrophobicContact CD2-CG2 4.01Å; V130-I134 HydrophobicContact CB-CB 3.95Å; V130-I134 HydrophobicContact CB-CG2 3.72Å; V130-I134 HydrophobicContact CG1-CG2 4.07Å; V130-I134 HydrophobicContact CG2-CB 4.1Å; V130-I134 HydrophobicContact CG2-CG2 3.78Å; G131-I134 WeakPolarHBondContact O-CB 3.22Å; G131-I134 PolarHBondContact O-N 3.39Å; I134-T137 PolarHBondContact O-N 3.2Å; I134-R138 WeakPolarHBondContact O-CB 3.31Å; I134-R138 PolarHBondContact O-N 3.18Å
135E92.3Very high93.1Very high40 Ų4053.8 Ų53.819%0.18730%0.296CS..Hα-helixtrans-64-48.4177.9-177.856.5-161.900111.5G131 D132 D133 T137 R138 K139G131-E135 PolarHBondContact O-N 3.13Å; G131-E135 VanDerWaalsContact O-N 3.08Å; D132-E135 PolarHBondContact O-N 3.22Å; D133-E135 VanDerWaalsContact C-N 3.34Å; E135-T137 VanDerWaalsContact C-N 3.32Å; E135-T137 PolarHBondContact O-N 2.71Å; E135-R138 WeakPolarHBondContact O-CB 3.27Å; E135-R138 PolarHBondContact O-N 2.86Å; E135-R138 IonicContact OE1-CZ 3.13Å; E135-R138 IonicContact OE1-NE 3.66Å; E135-R138 IonicContact OE1-NH2 3.11Å; E135-R138 PolarHBondContact OE1-NH2 2.78Å; E135-R138 IonicContact OE2-CZ 2.73Å; E135-R138 IonicContact OE2-NE 3.65Å; E135-R138 PolarHBondContact OE2-NE 3.1Å; E135-R138 IonicContact OE2-NH2 2.66Å; E135-R138 PolarHBondContact OE2-NH2 3.48Å; E135-K139 VanDerWaalsContact O-CG 3.29Å; E135-K139 WeakPolarHBondContact O-CG 3.07Å; E135-K139 PolarHBondContact O-N 2.63Å; E135-K139 WeakPolarHBondContact OE1-CE 3.27Å; E135-K139 IonicContact OE1-NZ 3.95Å
136K91.9Very high93Very high128 Ų12854.5 Ų54.556%0.55730%0.3SS*.Hα-helixtrans-57.7-45.1175.4-73.1169.4-171.8169.50111.7D132 D133 R138 K139 Y140D132-K136 WeakPolarHBondContact O-CB 3.29Å; D132-K136 VanDerWaalsContact O-CG 3.25Å; D132-K136 WeakPolarHBondContact O-CG 3.36Å; D132-K136 PolarHBondContact O-N 3.31Å; D133-K136 PolarHBondContact O-N 3.48Å; K136-R138 VanDerWaalsContact C-N 3.35Å; K136-R138 PolarHBondContact O-N 3.07Å; K136-K139 PolarHBondContact O-N 3.35Å; K136-Y140 WeakPolarHBondContact O-CB 3.45Å; K136-Y140 PolarHBondContact O-N 2.94Å
137T93.9Very high93Very high27 Ų2754.9 Ų54.917%0.16629%0.288CS..Hα-helixtrans-58.7-46.2176.4-590000111.1L91 F94 L121 D133 I134 E135 Y140 A141L91-T137 HydrophobicContact CD2-CG2 4.06Å; F94-T137 HydrophobicContact CB-CG2 4.22Å; F94-T137 HydrophobicContact CD1-CG2 3.86Å; F94-T137 HydrophobicContact CD2-CG2 3.38Å; F94-T137 HydrophobicContact CE1-CG2 4.02Å; F94-T137 HydrophobicContact CE2-CG2 3.5Å; F94-T137 WeakPolarHBondContact CE2-O 3.46Å; F94-T137 HydrophobicContact CG-CG2 3.54Å; F94-T137 HydrophobicContact CZ-CG2 3.85Å; L121-T137 HydrophobicContact CD1-CG2 3.71Å; D133-T137 VanDerWaalsContact O-CB 3.27Å; D133-T137 WeakPolarHBondContact O-CB 3.3Å; D133-T137 PolarHBondContact O-N 3.04Å; D133-T137 PolarHBondContact O-OG1 2.84Å; I134-T137 PolarHBondContact O-N 3.2Å; E135-T137 VanDerWaalsContact C-N 3.32Å; E135-T137 PolarHBondContact O-N 2.71Å; T137-Y140 PolarHBondContact O-N 3.19Å; T137-A141 WeakPolarHBondContact O-CB 2.96Å; T137-A141 PolarHBondContact O-N 3.07Å
138R94.5Very high93Very high44 Ų4451.8 Ų51.817%0.16627%0.27CS..Hα-helixtrans-60.4-47.4176.8-173.1179.175.1133.3-7.7111.8L121 D122 S125 I134 E135 K136 A141 K142L121-R138 HydrophobicContact CB-CB 3.84Å; L121-R138 HydrophobicContact CB-CG 3.74Å; L121-R138 HydrophobicContact CD1-CB 4Å; D122-R138 WeakPolarHBondContact OD1-CD 3.42Å; D122-R138 IonicContact OD1-CZ 3.93Å; D122-R138 IonicContact OD1-NE 2.73Å; D122-R138 IonicContact OD1-NH1 3.88Å; D122-R138 PolarHBondContact OD1-NH1 3.1Å; S125-R138 PolarHBondContact OG-NH1 3.14Å; I134-R138 WeakPolarHBondContact O-CB 3.31Å; I134-R138 PolarHBondContact O-N 3.18Å; E135-R138 WeakPolarHBondContact O-CB 3.27Å; E135-R138 PolarHBondContact O-N 2.86Å; E135-R138 IonicContact OE1-CZ 3.13Å; E135-R138 IonicContact OE1-NE 3.66Å; E135-R138 IonicContact OE1-NH2 3.11Å; E135-R138 PolarHBondContact OE1-NH2 2.78Å; E135-R138 IonicContact OE2-CZ 2.73Å; E135-R138 IonicContact OE2-NE 3.65Å; E135-R138 PolarHBondContact OE2-NE 3.1Å; E135-R138 IonicContact OE2-NH2 2.66Å; E135-R138 PolarHBondContact OE2-NH2 3.48Å; K136-R138 VanDerWaalsContact C-N 3.35Å; K136-R138 PolarHBondContact O-N 3.07Å; R138-A141 PolarHBondContact O-N 2.87Å; R138-K142 WeakPolarHBondContact O-CG 3.38Å; R138-K142 PolarHBondContact O-N 2.96Å
139K92.8Very high93.2Very high63 Ų6350 Ų5027%0.27425%0.25SS..Hα-helixtrans-61.3-45.7177.9-63.7-167.7-178167.80111.3E135 K136 K142 W143 T171E135-K139 VanDerWaalsContact O-CG 3.29Å; E135-K139 WeakPolarHBondContact O-CG 3.07Å; E135-K139 PolarHBondContact O-N 2.63Å; E135-K139 WeakPolarHBondContact OE1-CE 3.27Å; E135-K139 IonicContact OE1-NZ 3.95Å; K136-K139 PolarHBondContact O-N 3.35Å; K139-K142 PolarHBondContact O-N 2.92Å; K139-W143 WeakPolarHBondContact O-CB 3.33Å; K139-W143 PolarHBondContact O-N 3.22Å; K139-T171 HydrophobicContact CB-CG2 4.14Å; K139-T171 HydrophobicContact CD-CG2 3.55Å; K139-T171 HydrophobicContact CG-CG2 3.42Å; K139-T171 VanDerWaalsContact CG-CG2 3.42Å
140Y93.6Very high93.3Very high42 Ų4247.2 Ų47.217%0.16524%0.235CC..Hα-helixtrans-60.7-48.7177.8-176.6-83.3000111.5F94 Y98 D101 F114 K136 T137 K142 W143 K144 P162F94-Y140 AromaticContact CE2-CD1 3.48Å; F94-Y140 HydrophobicContact CE2-CD1 3.48Å; F94-Y140 VanDerWaalsContact CE2-CD1 3.48Å; F94-Y140 HydrophobicContact CE2-CE1 4.23Å; F94-Y140 HydrophobicContact CE2-CG 4.22Å; F94-Y140 AromaticContact CZ-CD1 3.52Å; F94-Y140 HydrophobicContact CZ-CD1 3.52Å; F94-Y140 HydrophobicContact CZ-CE1 4.01Å; F94-Y140 HydrophobicContact CZ-CG 4.15Å; Y98-Y140 HydrophobicContact CD2-CE1 4Å; Y98-Y140 HydrophobicContact CE2-CE1 4.48Å; Y98-Y140 WeakPolarHBondContact CE2-OH 3.5Å; D101-Y140 PolarHBondContact OD2-OH 3.39Å; F114-Y140 HydrophobicContact CE1-CD1 4.06Å; F114-Y140 AromaticContact CE1-CE1 3.75Å; F114-Y140 HydrophobicContact CE1-CE1 3.75Å; F114-Y140 AromaticContact CZ-CE1 3.93Å; F114-Y140 HydrophobicContact CZ-CE1 3.93Å; K136-Y140 WeakPolarHBondContact O-CB 3.45Å; K136-Y140 PolarHBondContact O-N 2.94Å; T137-Y140 PolarHBondContact O-N 3.19Å; Y140-K142 VanDerWaalsContact C-N 3.35Å; Y140-K142 PolarHBondContact O-N 3.48Å; Y140-W143 PolarHBondContact O-N 3.21Å; Y140-W143 VanDerWaalsContact O-N 3.16Å; Y140-K144 HydrophobicContact CD1-CG 3.92Å; Y140-K144 HydrophobicContact CE1-CB 4.35Å; Y140-K144 HydrophobicContact CE1-CD 4.43Å; Y140-K144 HydrophobicContact CE1-CG 3.4Å; Y140-K144 VanDerWaalsContact CE1-CG 3.4Å; Y140-K144 HydrophobicContact CE2-CG 4.35Å; Y140-K144 PolarHBondContact O-N 3.49Å; Y140-K144 WeakPolarHBondContact OH-CE 3.29Å; Y140-P162 HydrophobicContact CE2-CB 4.05Å
141A95.7Very high93.3Very high0 Ų046 Ų460%023%0.228CC..Hα-helixtrans-59.1-45.3-179.700000111.7F94 F114 A118 T137 R138 A145F94-A141 HydrophobicContact CD2-CB 3.9Å; F94-A141 HydrophobicContact CE2-CB 4.06Å; F114-A141 HydrophobicContact CD1-CB 4.22Å; A118-A141 HydrophobicContact CB-CB 3.78Å; T137-A141 WeakPolarHBondContact O-CB 2.96Å; T137-A141 PolarHBondContact O-N 3.07Å; R138-A141 PolarHBondContact O-N 2.87Å; A141-A145 VanDerWaalsContact O-CB 3.29Å; A141-A145 WeakPolarHBondContact O-CB 3.47Å; A141-A145 PolarHBondContact O-N 3.1Å
142K95Very high93.3Very high22 Ų2246.9 Ų46.910%0.09622%0.221CC..Hα-helixtrans-59.8-47.4174.8-72.3-178.5177.1-177.90111.6A118 D122 R138 K139 Y140 V146 P172 I174A118-K142 HydrophobicContact CB-CG 3.7Å; D122-K142 WeakPolarHBondContact OD1-CE 3.34Å; D122-K142 IonicContact OD1-NZ 3.67Å; D122-K142 PolarHBondContact OD1-NZ 3.38Å; D122-K142 WeakPolarHBondContact OD2-CE 3.39Å; D122-K142 IonicContact OD2-NZ 2.82Å; D122-K142 PolarHBondContact OD2-NZ 3.33Å; R138-K142 WeakPolarHBondContact O-CG 3.38Å; R138-K142 PolarHBondContact O-N 2.96Å; K139-K142 PolarHBondContact O-N 2.92Å; Y140-K142 VanDerWaalsContact C-N 3.35Å; Y140-K142 PolarHBondContact O-N 3.48Å; K142-V146 WeakPolarHBondContact O-CG2 3.31Å; K142-V146 PolarHBondContact O-N 2.66Å; K142-P172 HydrophobicContact CB-CG 4.17Å; K142-I174 HydrophobicContact CB-CG2 3.87Å; K142-I174 HydrophobicContact CG-CD1 4.39Å; K142-I174 HydrophobicContact CG-CG2 3.81Å
143W93.9Very high93.4Very high56 Ų5646.7 Ų46.721%0.21221%0.214CC..Hα-helixtrans-62.8-50.1-179.117987.3000112.1K139 Y140 A145 V146 Y147 I163 T166 P172K139-W143 WeakPolarHBondContact O-CB 3.33Å; K139-W143 PolarHBondContact O-N 3.22Å; Y140-W143 PolarHBondContact O-N 3.21Å; Y140-W143 VanDerWaalsContact O-N 3.16Å; W143-A145 PolarHBondContact O-N 3.08Å; W143-V146 PolarHBondContact O-N 2.67Å; W143-Y147 AromaticContact CH2-CD1 3.63Å; W143-Y147 HydrophobicContact CH2-CD1 3.63Å; W143-Y147 HydrophobicContact CH2-CD2 4.42Å; W143-Y147 HydrophobicContact CH2-CE1 4.07Å; W143-Y147 AromaticContact CH2-CG 3.83Å; W143-Y147 HydrophobicContact CH2-CG 3.83Å; W143-Y147 HydrophobicContact CZ2-CD1 4.14Å; W143-Y147 HydrophobicContact CZ2-CD2 4.14Å; W143-Y147 AromaticContact CZ2-CG 3.84Å; W143-Y147 HydrophobicContact CZ2-CG 3.84Å; W143-Y147 HydrophobicContact CZ3-CD1 4.15Å; W143-Y147 HydrophobicContact CZ3-CG 4.49Å; W143-Y147 WeakPolarHBondContact O-CB 3.47Å; W143-Y147 PolarHBondContact O-N 2.92Å; W143-I163 HydrophobicContact CH2-CB 4.43Å; W143-I163 HydrophobicContact CH2-CD1 3.41Å; W143-I163 VanDerWaalsContact CH2-CD1 3.41Å; W143-I163 HydrophobicContact CH2-CG1 3.75Å; W143-I163 HydrophobicContact CZ2-CD1 3.93Å; W143-I163 HydrophobicContact CZ3-CD1 4.48Å; W143-I163 HydrophobicContact CZ3-CG1 4.43Å; W143-T166 HydrophobicContact CD2-CG2 4.19Å; W143-T166 HydrophobicContact CZ2-CG2 3.81Å; W143-P172 HydrophobicContact CB-CG 4.22Å
144K94Very high93.4Very high0 Ų044.6 Ų44.60%021%0.208CC..Hα-helixtrans-61.3-43.1176.9-84-65.7-168.2170.60112.6D101 F114 Y140 V146 Y147 I148 V159 G161D101-K144 VanDerWaalsContact OD1-CE 3.32Å; D101-K144 WeakPolarHBondContact OD1-CE 3.45Å; D101-K144 IonicContact OD1-NZ 2.75Å; D101-K144 PolarHBondContact OD1-NZ 3.25Å; D101-K144 WeakPolarHBondContact OD2-CE 3.3Å; D101-K144 IonicContact OD2-NZ 2.85Å; D101-K144 PolarHBondContact OD2-NZ 3.11Å; F114-K144 HydrophobicContact CD1-CB 4.1Å; F114-K144 HydrophobicContact CD2-CB 3.74Å; F114-K144 HydrophobicContact CE1-CB 4.1Å; F114-K144 HydrophobicContact CE1-CG 4.31Å; F114-K144 HydrophobicContact CE2-CB 3.72Å; F114-K144 HydrophobicContact CE2-CG 4.07Å; F114-K144 HydrophobicContact CG-CB 3.94Å; F114-K144 HydrophobicContact CZ-CB 3.91Å; F114-K144 HydrophobicContact CZ-CG 3.93Å; Y140-K144 HydrophobicContact CD1-CG 3.92Å; Y140-K144 HydrophobicContact CE1-CB 4.35Å; Y140-K144 HydrophobicContact CE1-CD 4.43Å; Y140-K144 HydrophobicContact CE1-CG 3.4Å; Y140-K144 VanDerWaalsContact CE1-CG 3.4Å; Y140-K144 HydrophobicContact CE2-CG 4.35Å; Y140-K144 PolarHBondContact O-N 3.49Å; Y140-K144 WeakPolarHBondContact OH-CE 3.29Å; K144-V146 VanDerWaalsContact C-N 3.32Å; K144-V146 PolarHBondContact O-N 2.89Å; K144-Y147 HydrophobicContact CD-CD1 4.36Å; K144-Y147 PolarHBondContact O-N 3.01Å; K144-I148 HydrophobicContact CB-CD1 4.45Å; K144-I148 HydrophobicContact CD-CD1 4.24Å; K144-I148 HydrophobicContact CD-CG1 4.48Å; K144-I148 WeakPolarHBondContact O-CB 3.37Å; K144-I148 WeakPolarHBondContact O-CG1 3.17Å; K144-I148 PolarHBondContact O-N 2.8Å; K144-V159 PolarHBondContact NZ-O 2.86Å; K144-G161 WeakPolarHBondContact CE-O 3.38Å; K144-G161 PolarHBondContact NZ-O 2.85Å
145A94.6Very high93.3Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-56.8-46.3177.700000111.6F114 L115 A141 W143 S149 L177F114-A145 HydrophobicContact CB-CB 3.93Å; L115-A145 HydrophobicContact CB-CB 4.46Å; A141-A145 VanDerWaalsContact O-CB 3.29Å; A141-A145 WeakPolarHBondContact O-CB 3.47Å; A141-A145 PolarHBondContact O-N 3.1Å; W143-A145 PolarHBondContact O-N 3.08Å; A145-S149 WeakPolarHBondContact O-CB 3.5Å; A145-S149 PolarHBondContact O-N 3.4Å; A145-S149 PolarHBondContact O-OG 3.38Å; A145-L177 HydrophobicContact CB-CD1 3.84Å
146V93.6Very high93.3Very high44 Ų4450.8 Ų50.827%0.26726%0.255SS..Hα-helixtrans-71.7-43.9178.8173.60000111.8K142 W143 K144 S149 K150 P172 I174 L177K142-V146 WeakPolarHBondContact O-CG2 3.31Å; K142-V146 PolarHBondContact O-N 2.66Å; W143-V146 PolarHBondContact O-N 2.67Å; K144-V146 VanDerWaalsContact C-N 3.32Å; K144-V146 PolarHBondContact O-N 2.89Å; V146-S149 PolarHBondContact O-N 3.3Å; V146-K150 WeakPolarHBondContact O-CB 3.5Å; V146-K150 PolarHBondContact O-N 3.46Å; V146-P172 HydrophobicContact CB-CB 4.37Å; V146-P172 HydrophobicContact CB-CG 4.37Å; V146-P172 HydrophobicContact CG1-CB 4.48Å; V146-P172 HydrophobicContact CG2-CB 4.05Å; V146-P172 HydrophobicContact CG2-CG 4.22Å; V146-I174 HydrophobicContact CG2-CG2 4.1Å; V146-L177 HydrophobicContact CG2-CD1 3.84Å; V146-L177 HydrophobicContact CG2-CG 4.39Å
147Y92.7Very high93.3Very high49 Ų4950.6 Ų50.619%0.19226%0.264CS..Hα-helixtrans-61.1-55.7-179.1171.4-115.5000111.9W143 K144 S149 K150 C151 P158 V159 I163W143-Y147 AromaticContact CH2-CD1 3.63Å; W143-Y147 HydrophobicContact CH2-CD1 3.63Å; W143-Y147 HydrophobicContact CH2-CD2 4.42Å; W143-Y147 HydrophobicContact CH2-CE1 4.07Å; W143-Y147 AromaticContact CH2-CG 3.83Å; W143-Y147 HydrophobicContact CH2-CG 3.83Å; W143-Y147 HydrophobicContact CZ2-CD1 4.14Å; W143-Y147 HydrophobicContact CZ2-CD2 4.14Å; W143-Y147 AromaticContact CZ2-CG 3.84Å; W143-Y147 HydrophobicContact CZ2-CG 3.84Å; W143-Y147 HydrophobicContact CZ3-CD1 4.15Å; W143-Y147 HydrophobicContact CZ3-CG 4.49Å; W143-Y147 WeakPolarHBondContact O-CB 3.47Å; W143-Y147 PolarHBondContact O-N 2.92Å; K144-Y147 HydrophobicContact CD-CD1 4.36Å; K144-Y147 PolarHBondContact O-N 3.01Å; Y147-S149 VanDerWaalsContact C-N 3.31Å; Y147-S149 PolarHBondContact O-N 3.19Å; Y147-K150 WeakPolarHBondContact O-CB 3.35Å; Y147-K150 PolarHBondContact O-N 2.86Å; Y147-K150 VanDerWaalsContact O-N 3.11Å; Y147-C151 WeakPolarHBondContact CE2-SG 3.46Å; Y147-C151 PolarHBondContact O-N 2.91Å; Y147-C151 PolarHBondContact O-SG 2.73Å; Y147-P158 HydrophobicContact CD1-CB 4.45Å; Y147-P158 HydrophobicContact CE1-CB 3.74Å; Y147-V159 PolarHBondContact OH-N 3.16Å; Y147-I163 HydrophobicContact CE1-CD1 4.33Å
148I93.6Very high93.2Very high0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-60-45.2178.6-63.6169.9000109.6F106 T110 V111 F114 K144 K150 C151 L152 P158F106-I148 HydrophobicContact CB-CG2 4Å; F106-I148 HydrophobicContact CD1-CD1 4.16Å; F106-I148 HydrophobicContact CD1-CG1 4.29Å; T110-I148 HydrophobicContact CG2-CD1 4.03Å; V111-I148 HydrophobicContact CG2-CB 3.95Å; V111-I148 HydrophobicContact CG2-CG2 3.44Å; V111-I148 VanDerWaalsContact CG2-CG2 3.44Å; F114-I148 HydrophobicContact CD2-CD1 4.02Å; F114-I148 HydrophobicContact CE2-CD1 3.89Å; K144-I148 HydrophobicContact CB-CD1 4.45Å; K144-I148 HydrophobicContact CD-CD1 4.24Å; K144-I148 HydrophobicContact CD-CG1 4.48Å; K144-I148 WeakPolarHBondContact O-CB 3.37Å; K144-I148 WeakPolarHBondContact O-CG1 3.17Å; K144-I148 PolarHBondContact O-N 2.8Å; I148-K150 VanDerWaalsContact C-N 3.27Å; I148-K150 PolarHBondContact O-N 2.82Å; I148-C151 PolarHBondContact O-N 2.91Å; I148-L152 HydrophobicContact CG2-CD1 3.86Å; I148-L152 HydrophobicContact CG2-CG 4.11Å; I148-L152 VanDerWaalsContact O-CG 3.27Å; I148-L152 WeakPolarHBondContact O-CG 3.09Å; I148-L152 PolarHBondContact O-N 3.06Å; I148-P158 HydrophobicContact CG1-CB 4.3Å; I148-P158 HydrophobicContact CG1-CG 4.39Å; I148-P158 HydrophobicContact CG2-CG 4.26Å
149S93.8Very high93Very high2 Ų251.4 Ų51.41%0.01427%0.274CS..Hα-helixtrans-55.6-41.2176.3-68.90000113.2V111 A145 V146 Y147 K153 L177 F184V111-S149 WeakPolarHBondContact CG1-OG 3.26Å; A145-S149 WeakPolarHBondContact O-CB 3.5Å; A145-S149 PolarHBondContact O-N 3.4Å; A145-S149 PolarHBondContact O-OG 3.38Å; V146-S149 PolarHBondContact O-N 3.3Å; Y147-S149 VanDerWaalsContact C-N 3.31Å; Y147-S149 PolarHBondContact O-N 3.19Å; S149-K153 VanDerWaalsContact O-CG 3.26Å; S149-K153 WeakPolarHBondContact O-CG 3.44Å; S149-K153 PolarHBondContact O-N 3.2Å; S149-L177 WeakPolarHBondContact OG-CD2 3.46Å; S149-F184 WeakPolarHBondContact OG-CE2 3.27Å
150K92.9Very high93Very high146 Ų14650 Ų5064%0.63527%0.274SS*.Hα-helixtrans-68-48.6179.4-177.7-176.5173.9-171.90110.9V146 Y147 I148 L152 K153 S154V146-K150 WeakPolarHBondContact O-CB 3.5Å; V146-K150 PolarHBondContact O-N 3.46Å; Y147-K150 WeakPolarHBondContact O-CB 3.35Å; Y147-K150 PolarHBondContact O-N 2.86Å; Y147-K150 VanDerWaalsContact O-N 3.11Å; I148-K150 VanDerWaalsContact C-N 3.27Å; I148-K150 PolarHBondContact O-N 2.82Å; K150-L152 PolarHBondContact O-N 3.38Å; K150-K153 PolarHBondContact O-N 3.38Å; K150-K153 VanDerWaalsContact O-N 3.15Å; K150-S154 PolarHBondContact O-N 2.88Å; K150-S154 PolarHBondContact O-OG 3.42Å
151C93Very high92.8Very high3 Ų348.3 Ų48.32%0.0227%0.269CS..Hα-helixtrans-59.1-45178.7-71.90000112Y147 I148 K153 S154 G155 E156 P158Y147-C151 WeakPolarHBondContact CE2-SG 3.46Å; Y147-C151 PolarHBondContact O-N 2.91Å; Y147-C151 PolarHBondContact O-SG 2.73Å; I148-C151 PolarHBondContact O-N 2.91Å; C151-K153 VanDerWaalsContact C-N 3.28Å; C151-K153 PolarHBondContact O-N 3.06Å; C151-S154 CarbonylContact O-C 3.58Å; C151-S154 PolarHBondContact O-N 3.35Å; C151-S154 VanDerWaalsContact O-N 3.17Å; C151-S154 PolarHBondContact O-OG 3.24Å; C151-G155 PolarHBondContact O-N 3.19Å; C151-E156 CarbonylContact C-O 3.59Å; C151-E156 HydrophobicContact CB-CB 4.27Å; C151-E156 WeakPolarHBondContact CB-O 3.29Å; C151-E156 PolarHBondContact O-N 3.36Å; C151-P158 HydrophobicContact CB-CB 4.4Å; C151-P158 HydrophobicContact CB-CG 3.62Å
152L92Very high92.1Very high66 Ų6652.1 Ų52.135%0.34629%0.294SS..Hα-helixtrans-62.2-35.2176.1-66.4176.1000112.8F106 V111 I148 K150 F184F106-L152 WeakPolarHBondContact O-CD1 3.32Å; F106-L152 WeakPolarHBondContact O-CD2 3.38Å; V111-L152 HydrophobicContact CG2-CD1 4.03Å; I148-L152 HydrophobicContact CG2-CD1 3.86Å; I148-L152 HydrophobicContact CG2-CG 4.11Å; I148-L152 VanDerWaalsContact O-CG 3.27Å; I148-L152 WeakPolarHBondContact O-CG 3.09Å; I148-L152 PolarHBondContact O-N 3.06Å; K150-L152 PolarHBondContact O-N 3.38Å; L152-F184 HydrophobicContact CB-CE1 4.16Å; L152-F184 HydrophobicContact CB-CZ 4Å; L152-F184 HydrophobicContact CD1-CD1 4.38Å; L152-F184 HydrophobicContact CD1-CE1 3.37Å; L152-F184 HydrophobicContact CD1-CZ 3.68Å; L152-F184 HydrophobicContact CG-CE1 4.45Å
153K91.9Very high90.9Very high123 Ų12353.3 Ų53.354%0.53530%0.3SS..Hα-helixtrans-73-31.9176.1-74.3173.2-177.4179.60112.7S149 K150 C151 N182S149-K153 VanDerWaalsContact O-CG 3.26Å; S149-K153 WeakPolarHBondContact O-CG 3.44Å; S149-K153 PolarHBondContact O-N 3.2Å; K150-K153 PolarHBondContact O-N 3.38Å; K150-K153 VanDerWaalsContact O-N 3.15Å; C151-K153 VanDerWaalsContact C-N 3.28Å; C151-K153 PolarHBondContact O-N 3.06Å; K153-N182 WeakPolarHBondContact CE-OD1 3.44Å; K153-N182 PolarHBondContact NZ-OD1 3.47Å; K153-N182 VanDerWaalsContact NZ-OD1 3.1Å
154S93.1Very high89.2Confident64 Ų6455.9 Ų55.945%0.44833%0.325SS..Hα-helixtrans-89.1-12.2177.660.40000114.1K150 C151 E156K150-S154 PolarHBondContact O-N 2.88Å; K150-S154 PolarHBondContact O-OG 3.42Å; C151-S154 CarbonylContact O-C 3.58Å; C151-S154 PolarHBondContact O-N 3.35Å; C151-S154 VanDerWaalsContact O-N 3.17Å; C151-S154 PolarHBondContact O-OG 3.24Å; S154-E156 VanDerWaalsContact C-N 3.31Å
155G90.9Very high87.3Confident67 Ų6763.8 Ų63.869%0.69137%0.367SS*.THydrogen-bonded Turntrans79.710.5-173.600000114C151C151-G155 PolarHBondContact O-N 3.19Å
156E91.8Very high85.5Confident121 Ų12166.8 Ų66.857%0.56539%0.385SS*.PPolyproline II helixtrans-79.4146.5173.1-69.2169.9-155.600110.6C151 S154 P158C151-E156 CarbonylContact C-O 3.59Å; C151-E156 HydrophobicContact CB-CB 4.27Å; C151-E156 WeakPolarHBondContact CB-O 3.29Å; C151-E156 PolarHBondContact O-N 3.36Å; S154-E156 VanDerWaalsContact C-N 3.31Å; E156-P158 WeakPolarHBondContact O-CD 3.33Å
157V91.2Very high83.3Confident123 Ų12373.5 Ų73.575%0.74541%0.414SS*.PPolyproline II helixtrans-84.7120.4174.5-179.90000109F106F106-V157 HydrophobicContact CE2-CG1 4.3Å
158P91.6Very high81.2Confident10 Ų1074.2 Ų74.27%0.06543%0.43CS..PPolyproline II helixtrans-61.4154.5175.4-20.630.8000113F106 Y147 I148 C151 E156F106-P158 HydrophobicContact CB-CG 3.8Å; F106-P158 HydrophobicContact CD1-CB 3.74Å; F106-P158 HydrophobicContact CD1-CG 3.94Å; F106-P158 HydrophobicContact CD2-CB 3.97Å; F106-P158 HydrophobicContact CD2-CG 3.82Å; F106-P158 HydrophobicContact CE1-CB 3.83Å; F106-P158 HydrophobicContact CE1-CG 4.49Å; F106-P158 HydrophobicContact CE2-CB 4.04Å; F106-P158 HydrophobicContact CE2-CG 4.37Å; F106-P158 WeakPolarHBondContact CE2-O 3.47Å; F106-P158 HydrophobicContact CG-CB 3.8Å; F106-P158 HydrophobicContact CG-CG 3.56Å; F106-P158 HydrophobicContact CZ-CB 3.96Å; F106-P158 VanDerWaalsContact CZ-O 3.24Å; F106-P158 WeakPolarHBondContact CZ-O 3.38Å; Y147-P158 HydrophobicContact CD1-CB 4.45Å; Y147-P158 HydrophobicContact CE1-CB 3.74Å; I148-P158 HydrophobicContact CG1-CB 4.3Å; I148-P158 HydrophobicContact CG1-CG 4.39Å; I148-P158 HydrophobicContact CG2-CG 4.26Å; C151-P158 HydrophobicContact CB-CB 4.4Å; C151-P158 HydrophobicContact CB-CG 3.62Å; E156-P158 WeakPolarHBondContact O-CD 3.33Å
159V91.9Very high79.3Confident79 Ų7979.3 Ų79.348%0.47947%0.472SS..PPolyproline II helixtrans-84.8125.6169.8-179.40000109.7K144 Y147 I163K144-V159 PolarHBondContact NZ-O 2.86Å; Y147-V159 PolarHBondContact OH-N 3.16Å; V159-I163 HydrophobicContact CB-CD1 4Å; V159-I163 HydrophobicContact CB-CG1 4.29Å; V159-I163 HydrophobicContact CG1-CD1 4.43Å; V159-I163 HydrophobicContact CG1-CG1 4.24Å
160A93.1Very high78Confident34 Ų3487.6 Ų87.628%0.28150%0.504SS..PPolyproline II helixtrans-66.9146.9177.200000112.1D101 F106D101-A160 WeakPolarHBondContact O-CA 3.36Å; D101-A160 WeakPolarHBondContact O-CB 3.11Å; F106-A160 HydrophobicContact CE1-CB 4.48Å; F106-A160 HydrophobicContact CZ-CB 3.92Å
161G88Confident77.3Confident6 Ų683.7 Ų83.76%0.06249%0.492CS..SBendtrans72.1-173.5174.400000114.3D101 K144 I163D101-G161 VanDerWaalsContact OD2-CA 3.22Å; D101-G161 WeakPolarHBondContact OD2-CA 3.37Å; D101-G161 PolarHBondContact OD2-N 3.32Å; K144-G161 WeakPolarHBondContact CE-O 3.38Å; K144-G161 PolarHBondContact NZ-O 2.85Å; G161-I163 PolarHBondContact O-N 2.78Å
162P82.3Confident76.8Confident79 Ų7984 Ų8451%0.51349%0.494SS..PPolyproline II helixtrans-67.2127.5175.128-31.9000110.5Y140 P164Y140-P162 HydrophobicContact CE2-CB 4.05Å; P162-P164 WeakPolarHBondContact O-CD 3.21Å
163I69.9Low76.5Confident47 Ų4786.3 Ų86.324%0.24151%0.507CS..PPolyproline II helixtrans-79.5120.2173.9-56.1-170.2000108.3W143 Y147 V159 G161 N165 T166W143-I163 HydrophobicContact CH2-CB 4.43Å; W143-I163 HydrophobicContact CH2-CD1 3.41Å; W143-I163 VanDerWaalsContact CH2-CD1 3.41Å; W143-I163 HydrophobicContact CH2-CG1 3.75Å; W143-I163 HydrophobicContact CZ2-CD1 3.93Å; W143-I163 HydrophobicContact CZ3-CD1 4.48Å; W143-I163 HydrophobicContact CZ3-CG1 4.43Å; Y147-I163 HydrophobicContact CE1-CD1 4.33Å; V159-I163 HydrophobicContact CB-CD1 4Å; V159-I163 HydrophobicContact CB-CG1 4.29Å; V159-I163 HydrophobicContact CG1-CD1 4.43Å; V159-I163 HydrophobicContact CG1-CG1 4.24Å; G161-I163 PolarHBondContact O-N 2.78Å; I163-N165 PolarHBondContact O-N 2.75Å; I163-T166 WeakPolarHBondContact CB-OG1 3.15Å; I163-T166 WeakPolarHBondContact CG2-OG1 3.46Å; I163-T166 PolarHBondContact O-N 2.96Å
164P57.7Low76.4Confident111 Ų11180.6 Ų80.672%0.72148%0.482SS*.THydrogen-bonded Turntrans-53.5138.8175-22.832.4000110.9P162 T166P162-P164 WeakPolarHBondContact O-CD 3.21Å; P164-T166 VanDerWaalsContact C-N 3.28Å; P164-T166 PolarHBondContact O-N 3.47Å
165N53.3Low76Confident166 Ų16678.5 Ų78.589%0.88847%0.468SS*.THydrogen-bonded Turntrans66.413.5-179.1-58.3-19.5000116.8I163 E167I163-N165 PolarHBondContact O-N 2.75Å; N165-E167 VanDerWaalsContact C-N 3.28Å
166T56.2Low75.7Confident63 Ų6377.4 Ų77.439%0.38746%0.457SS..  trans-90.67.6168.6-51.40000112.3W143 I163 P164 A168W143-T166 HydrophobicContact CD2-CG2 4.19Å; W143-T166 HydrophobicContact CZ2-CG2 3.81Å; I163-T166 WeakPolarHBondContact CB-OG1 3.15Å; I163-T166 WeakPolarHBondContact CG2-OG1 3.46Å; I163-T166 PolarHBondContact O-N 2.96Å; P164-T166 VanDerWaalsContact C-N 3.28Å; P164-T166 PolarHBondContact O-N 3.47Å; T166-A168 PolarHBondContact O-N 2.82Å
167E48.2Very low75.3Confident185 Ų18572.4 Ų72.486%0.86443%0.434SS*.  trans-61.3106177.7-71.7-168.4158.500112.5N165N165-E167 VanDerWaalsContact C-N 3.28Å
168A49.4Very low74.7Confident64 Ų6467.1 Ų67.153%0.52940%0.401SS..SBend87.416.5121.200000121.3T166T166-A168 PolarHBondContact O-N 2.82Å
169A53.8Low73.6Confident106 Ų10670.7 Ų70.788%0.87642%0.42SS*.SBendtrans-92.5-38.1165.600000114
170Y66Low71.9Confident177 Ų17772.9 Ų72.969%0.69443%0.434SS*.  trans-111.8122-170.9-173.8-107.5000112.2P172Y170-P172 HydrophobicContact CD1-CB 4.26Å; Y170-P172 HydrophobicContact CE1-CB 3.75Å; Y170-P172 WeakPolarHBondContact O-CD 3.27Å
171T77.8Confident70.1Confident63 Ų6378.5 Ų78.539%0.38746%0.459SS..  trans-100.4107170.653.40000108.9K139K139-T171 HydrophobicContact CB-CG2 4.14Å; K139-T171 HydrophobicContact CD-CG2 3.55Å; K139-T171 HydrophobicContact CG-CG2 3.42Å; K139-T171 VanDerWaalsContact CG-CG2 3.42Å
172P83.7Confident68.7Low10 Ų1078.6 Ų78.67%0.06546%0.458CS..  trans-71149-176.726.4-30.4000111.1K142 W143 V146 Y170K142-P172 HydrophobicContact CB-CG 4.17Å; W143-P172 HydrophobicContact CB-CG 4.22Å; V146-P172 HydrophobicContact CB-CB 4.37Å; V146-P172 HydrophobicContact CB-CG 4.37Å; V146-P172 HydrophobicContact CG1-CB 4.48Å; V146-P172 HydrophobicContact CG2-CB 4.05Å; V146-P172 HydrophobicContact CG2-CG 4.22Å; Y170-P172 HydrophobicContact CD1-CB 4.26Å; Y170-P172 HydrophobicContact CE1-CB 3.75Å; Y170-P172 WeakPolarHBondContact O-CD 3.27Å
173N85.6Confident67.4Low114 Ų11478.6 Ų78.661%0.6146%0.458SS*.  trans-79.4121.4173.7-172.5-23.8000110S175N173-S175 WeakPolarHBondContact OD1-CB 3.42Å; N173-S175 PolarHBondContact OD1-N 3.41Å; N173-S175 PolarHBondContact OD1-OG 2.88Å
174I89.9Confident67.1Low3 Ų377.1 Ų77.12%0.01545%0.45CS..  trans-88.8-5.8-178.557.4172.4000114.2V15 L115 A118 K142 V146 G176 L177V15-I174 HydrophobicContact CG2-CD1 3.73Å; V15-I174 HydrophobicContact CG2-CG1 3.96Å; L115-I174 HydrophobicContact CD1-CB 3.8Å; L115-I174 HydrophobicContact CD1-CD1 3.95Å; L115-I174 HydrophobicContact CD1-CG1 4.28Å; L115-I174 HydrophobicContact CD1-CG2 4.42Å; A118-I174 HydrophobicContact CB-CD1 3.89Å; K142-I174 HydrophobicContact CB-CG2 3.87Å; K142-I174 HydrophobicContact CG-CD1 4.39Å; K142-I174 HydrophobicContact CG-CG2 3.81Å; V146-I174 HydrophobicContact CG2-CG2 4.1Å; I174-G176 VanDerWaalsContact C-N 3.26Å; I174-G176 PolarHBondContact O-N 2.92Å; I174-L177 WeakPolarHBondContact O-CB 3.26Å; I174-L177 PolarHBondContact O-N 3.16Å
175S84.2Confident67Low21 Ų2173.5 Ų73.515%0.14743%0.425CS..G310 helixtrans-56.9-39.1-173.4-53.30000112.5N173 L177 T178N173-S175 WeakPolarHBondContact OD1-CB 3.42Å; N173-S175 PolarHBondContact OD1-N 3.41Å; N173-S175 PolarHBondContact OD1-OG 2.88Å; S175-L177 PolarHBondContact O-N 3.17Å; S175-T178 PolarHBondContact O-N 3.36Å; S175-T178 PolarHBondContact O-OG1 3.37Å
176G83.6Confident66.8Low44 Ų4472.5 Ų72.545%0.45442%0.419SS..G310 helixtrans-70.8-5178.600000115.1I174 T178I174-G176 VanDerWaalsContact C-N 3.26Å; I174-G176 PolarHBondContact O-N 2.92Å; G176-T178 VanDerWaalsContact C-N 3.31Å
177L84.1Confident66.3Low16 Ų1675 Ų758%0.08443%0.426CS..G310 helixtrans-82.7-9.6172.4-61.4-177.7000112.7L115 A145 V146 S149 I174 S175 N182L115-L177 HydrophobicContact CD1-CB 4.11Å; L115-L177 HydrophobicContact CD1-CD1 4.15Å; L115-L177 HydrophobicContact CD2-CB 4.18Å; A145-L177 HydrophobicContact CB-CD1 3.84Å; V146-L177 HydrophobicContact CG2-CD1 3.84Å; V146-L177 HydrophobicContact CG2-CG 4.39Å; S149-L177 WeakPolarHBondContact OG-CD2 3.46Å; I174-L177 WeakPolarHBondContact O-CB 3.26Å; I174-L177 PolarHBondContact O-N 3.16Å; S175-L177 PolarHBondContact O-N 3.17Å; L177-N182 PolarHBondContact O-ND2 2.93Å
178T78.5Confident66Low11 Ų1172.8 Ų72.87%0.06743%0.426CS..SBendtrans-98.21.4-178.858.20000115.4N14 V15 R18 L115 S175 G176 T180N14-T178 WeakPolarHBondContact CB-OG1 3.42Å; V15-T178 HydrophobicContact CB-CG2 4.21Å; V15-T178 HydrophobicContact CG2-CG2 4.09Å; R18-T178 HydrophobicContact CB-CG2 4.02Å; R18-T178 HydrophobicContact CG-CG2 4.19Å; L115-T178 HydrophobicContact CD2-CG2 4.01Å; S175-T178 PolarHBondContact O-N 3.36Å; S175-T178 PolarHBondContact O-OG1 3.37Å; G176-T178 VanDerWaalsContact C-N 3.31Å; T178-T180 PolarHBondContact O-N 3.46Å
179D68Low65.7Low86 Ų8672.6 Ų72.646%0.4642%0.416SS..SBendtrans-60137.9176.4-68.8-29000110.8N181 N182 N185D179-N181 PolarHBondContact O-N 2.64Å; D179-N182 VanDerWaalsContact O-CB 3.3Å; D179-N182 WeakPolarHBondContact O-CB 3.33Å; D179-N182 PolarHBondContact O-N 3.18Å; D179-N185 PolarHBondContact O-ND2 2.97Å
180T56.7Low65Low125 Ų12575.4 Ų75.477%0.76741%0.411SS*.THydrogen-bonded Turntrans-56.5-21.5-176.746.10000113.5T178 N182T178-T180 PolarHBondContact O-N 3.46Å; T180-N182 VanDerWaalsContact C-N 3.3Å; T180-N182 PolarHBondContact O-N 3.35Å
181N54.4Low64Low152 Ų15269.4 Ų69.481%0.81339%0.389SS*.THydrogen-bonded Turntrans-84.72.4178.6-63.5-18000113.8D179D179-N181 PolarHBondContact O-N 2.64Å
182N60.1Low62.1Low7 Ų769.9 Ų69.94%0.03739%0.394CS..  trans-78.3122.9177.7-15311.1000109.8K153 L177 D179 T180 F184 N185K153-N182 WeakPolarHBondContact CE-OD1 3.44Å; K153-N182 PolarHBondContact NZ-OD1 3.47Å; K153-N182 VanDerWaalsContact NZ-OD1 3.1Å; L177-N182 PolarHBondContact O-ND2 2.93Å; D179-N182 VanDerWaalsContact O-CB 3.3Å; D179-N182 WeakPolarHBondContact O-CB 3.33Å; D179-N182 PolarHBondContact O-N 3.18Å; T180-N182 VanDerWaalsContact C-N 3.3Å; T180-N182 PolarHBondContact O-N 3.35Å; N182-F184 VanDerWaalsContact CG-CD2 3.43Å; N182-F184 WeakPolarHBondContact ND2-CD2 3.47Å; N182-F184 PolarHBondContact O-N 3.26Å; N182-F184 VanDerWaalsContact OD1-CD2 3.3Å; N182-F184 WeakPolarHBondContact OD1-CD2 3.48Å; N182-F184 VanDerWaalsContact OD1-CE2 3.29Å; N182-F184 WeakPolarHBondContact OD1-CE2 3.38Å; N182-N185 WeakPolarHBondContact O-CB 3.49Å; N182-N185 PolarHBondContact O-N 3.27Å
183P55.2Low60.1Low80 Ų8078.2 Ų78.252%0.51943%0.431SS..G310 helixtrans-56.4-19.6-178.119.1-32.5000113.7N185P183-N185 PolarHBondContact O-N 3.21Å
184F62.3Low57.6Low15 Ų1581.6 Ų81.67%0.06644%0.444CS..G310 helixtrans-71-7.2178.3-43.3-47.2000114.7P108 V111 S149 L152 N182P108-F184 HydrophobicContact CB-CB 4.13Å; P108-F184 HydrophobicContact CB-CD1 3.59Å; P108-F184 HydrophobicContact CB-CG 4.28Å; P108-F184 HydrophobicContact CG-CD1 3.75Å; P108-F184 HydrophobicContact CG-CE1 4.3Å; V111-F184 HydrophobicContact CB-CD2 4.46Å; V111-F184 HydrophobicContact CG1-CD2 3.88Å; V111-F184 HydrophobicContact CG1-CE2 4.24Å; V111-F184 HydrophobicContact CG1-CG 4.35Å; S149-F184 WeakPolarHBondContact OG-CE2 3.27Å; L152-F184 HydrophobicContact CB-CE1 4.16Å; L152-F184 HydrophobicContact CB-CZ 4Å; L152-F184 HydrophobicContact CD1-CD1 4.38Å; L152-F184 HydrophobicContact CD1-CE1 3.37Å; L152-F184 HydrophobicContact CD1-CZ 3.68Å; L152-F184 HydrophobicContact CG-CE1 4.45Å; N182-F184 VanDerWaalsContact CG-CD2 3.43Å; N182-F184 WeakPolarHBondContact ND2-CD2 3.47Å; N182-F184 PolarHBondContact O-N 3.26Å; N182-F184 VanDerWaalsContact OD1-CD2 3.3Å; N182-F184 WeakPolarHBondContact OD1-CD2 3.48Å; N182-F184 VanDerWaalsContact OD1-CE2 3.29Å; N182-F184 WeakPolarHBondContact OD1-CE2 3.38Å
185N56.6Low55.1Low35 Ų3585 Ų8519%0.18746%0.461CS..G310 helixtrans-81.2-11.9-179.4-77.6-27.4000114.7R18 D179 N182 P183R18-N185 PolarHBondContact NE-OD1 3.05Å; R18-N185 VanDerWaalsContact NH2-CB 3.32Å; R18-N185 VanDerWaalsContact NH2-CG 3.26Å; R18-N185 PolarHBondContact NH2-O 3.33Å; R18-N185 PolarHBondContact NH2-OD1 3.21Å; D179-N185 PolarHBondContact O-ND2 2.97Å; N182-N185 WeakPolarHBondContact O-CB 3.49Å; N182-N185 PolarHBondContact O-N 3.27Å; P183-N185 PolarHBondContact O-N 3.21Å
186N48.7Very low52.6Low145 Ų14589.1 Ų89.178%0.77549%0.487SS*.SBendtrans-101.1-7.8-169.4-72.9-5.1000115.4
187E44.7Very low50.3Low115 Ų11592.1 Ų92.154%0.53750%0.497SS..SBendtrans-93132.9179.6-70-164.2123.200113.2P108P108-E187 VanDerWaalsContact CB-OE2 3.22Å; P108-E187 WeakPolarHBondContact CB-OE2 3.25Å; P108-E187 WeakPolarHBondContact CD-OE2 3.22Å; P108-E187 WeakPolarHBondContact CG-OE2 3.43Å
188T41.7Very low47.8Very low139 Ų13997.2 Ų97.285%0.85353%0.529SS*.  trans-71.3137-174.4-19.50000110.9Q190T188-Q190 PolarHBondContact O-N 2.93Å
189N43.9Very low45.6Very low60 Ų60100.8 Ų100.832%0.32155%0.553SS.*  trans-62.795.1-168.4-155.48.7000113Q191N189-Q191 PolarHBondContact O-N 3Å
190Q39.7Very low44.3Very low165 Ų165103.8 Ų103.877%0.77157%0.568SS**  trans-88.189.3160.7-73.7-172.48.600108.5T188T188-Q190 PolarHBondContact O-N 2.93Å
191Q43.8Very low43.2Very low51 Ų51103.7 Ų103.724%0.23857%0.569CS.*PPolyproline II helixtrans-85.8149175.7-113.4179.8-28.600110.8Y89 N189 H193Y89-Q191 PolarHBondContact OH-NE2 3.47Å; N189-Q191 PolarHBondContact O-N 3Å; Q191-H193 PolarHBondContact O-N 3.08Å
192P38Very low42.2Very low74 Ų74105.7 Ų105.748%0.48157%0.574SS.*PPolyproline II helixtrans-53.8136.7170.7-20.831.2000111.2A96 E194A96-P192 HydrophobicContact CB-CG 3.46Å; A96-P192 VanDerWaalsContact CB-CG 3.46Å; P192-E194 PolarHBondContact O-N 3.22Å
193H43.1Very low41Very low184 Ų184114.4 Ų114.485%0.85261%0.614SS**SBendtrans-52.6129.6-177-67.6-80.9000113.1Q191Q191-H193 PolarHBondContact O-N 3.08Å
194E32.8Very low40.4Very low186 Ų186116.1 Ų116.187%0.86963%0.625SS**  trans2796.7154.2-63.9179.8175.100117.7P192P192-E194 PolarHBondContact O-N 3.22Å
195I37.2Very low39.5Very low74 Ų74120.8 Ų120.838%0.37966%0.657SS.*  trans-81.6131143.4-47158.9000105.1Y89 K92 T197Y89-I195 HydrophobicContact CD2-CD1 4.01Å; Y89-I195 HydrophobicContact CE2-CD1 4.46Å; K92-I195 HydrophobicContact CD-CD1 3.26Å; K92-I195 HydrophobicContact CD-CG1 3.87Å; K92-I195 VanDerWaalsContact NZ-CD1 3.29Å; I195-T197 PolarHBondContact O-N 3.38Å
196P31.4Very low39.2Very low107 Ų107127 Ų12770%0.69569%0.69SS**  trans-52.5115.7176.6-24.832.9000110.7T198P196-T198 PolarHBondContact O-N 3.07Å
197T35.9Very low38.8Very low108 Ų108125.3 Ų125.366%0.66369%0.687SS**  trans-68.395.7165-39.30000106.3I195 C199I195-T197 PolarHBondContact O-N 3.38Å; T197-C199 PolarHBondContact O-N 3.16Å
198T31.4Very low38.6Very low122 Ų122127.3 Ų127.375%0.74870%0.702SS**  trans-73.283.9178.1-42.60000109.4P196P196-T198 PolarHBondContact O-N 3.07Å
199C32.7Very low38.8Very low87 Ų87125.4 Ų125.459%0.58869%0.692SS**  trans-138.547.4165.6-89.40000109.1T197T197-C199 PolarHBondContact O-N 3.16Å
200I39.1Very low38.6Very low149 Ų149128.2 Ų128.276%0.76472%0.716SS**SBendtrans-146.5134.5169.9-48.6178.2000110.2
201P35.1Very low38.6Very low123 Ų123126 Ų12680%0.79972%0.716SS**  trans-80.4126.8-1795.310.9000113.6
202E33Very low38.6Very low193 Ų193128.3 Ų128.390%0.90274%0.738SS**  trans23.1118.1145.2-121.9161160.600121.6
203Q35.2Very low38.5Very low191 Ų191131.6 Ų131.689%0.89375%0.751SS**  trans-143.9142.1144.3-161.8172.7-53.900111
204P42.6Very low38.6Very low115 Ų115133.6 Ų133.675%0.74775%0.753SS**  trans-87.6173.9-152.9-7.627000116.8
205P43.4Very low39.3Very low114 Ų114131.8 Ų131.874%0.7475%0.749SS**  trans-92.3159.2-156.837.8-34.6000113.4
206N49.7Very low40.3Very low165 Ų165130.9 Ų130.988%0.88275%0.745SS**  trans-148.1153.6153.8-102.7-12.8000112
207P39.8Very low41.9Very low110 Ų110129.6 Ų129.671%0.71474%0.735SS**  trans-123.7150.8-138.726.9-5.2000115.6
208D41.6Very low43.6Very low156 Ų156130.3 Ų130.383%0.83474%0.739SS**  trans59.5169.6142.6-120.521.9000121
209P46.2Very low45.5Very low100 Ų100132.2 Ų132.265%0.64974%0.737SS**  -127169.1-62.928.3-10.1000112.2
210S39.7Very low47.7Very low119 Ų119133.2 Ų133.283%0.83273%0.732SS**  trans-151.1149.8149.5-104.50000114.5
211P39.6Very low49.7Very low119 Ų119132.6 Ų132.677%0.77372%0.72SS**  trans-104.8129.5-158.135.4-22.4000111
212S42.2Very low51.9Low99 Ų99132.1 Ų132.169%0.69271%0.71SS**  trans-160.2111.6161.454.80000110.2
213D37.1Very low54.1Low143 Ų143127 Ų12777%0.76569%0.689SS**SBendtrans62.6117139.4-64-36.2000120.1
214Y44.2Very low56.7Low226 Ų226118.1 Ų118.189%0.88665%0.647SS**  trans69.130.1157.3-82.9-90.2000119.1I216Y214-I216 PolarHBondContact O-N 3.03Å
215N49Very low58.8Low148 Ų148117.1 Ų117.179%0.79163%0.633SS**  trans-8395.7165.2-98.1-49.8000111T217N215-T217 VanDerWaalsContact C-N 3.28Å; N215-T217 PolarHBondContact O-N 3.39Å
216I57.6Low61Low55 Ų55118.3 Ų118.328%0.28263%0.626SS.*  trans-54.5100.1159-62170.1000106Y214 K220 W221 L254Y214-I216 PolarHBondContact O-N 3.03Å; I216-K220 HydrophobicContact CG2-CB 3.59Å; I216-K220 HydrophobicContact CG2-CD 4.36Å; I216-W221 HydrophobicContact CD1-CZ2 3.72Å; I216-W221 HydrophobicContact CG2-CD2 4.01Å; I216-W221 HydrophobicContact CG2-CG 3.79Å; I216-W221 HydrophobicContact CG2-CZ2 4.43Å; I216-L254 HydrophobicContact CD1-CD2 3.9Å
217T64.9Low63Low80 Ų80110.9 Ų110.949%0.49159%0.587SS.*  trans-52.9143.7-177.9-46.30000109.5N215 K219 K220 W221N215-T217 VanDerWaalsContact C-N 3.28Å; N215-T217 PolarHBondContact O-N 3.39Å; T217-K219 HydrophobicContact CG2-CB 4.34Å; T217-K219 CarbonylContact O-C 3.53Å; T217-K219 PolarHBondContact O-N 3.42Å; T217-K220 WeakPolarHBondContact O-CA 3.06Å; T217-K220 WeakPolarHBondContact O-CB 3.38Å; T217-K220 PolarHBondContact O-N 3.3Å; T217-W221 PolarHBondContact O-N 3.18Å
218T70.5Confident65.6Low123 Ų123109.9 Ų109.976%0.75557%0.574SS**Hα-helixtrans-45.8-33.2175.6-44.80000112.8W221 L222T218-W221 PolarHBondContact O-N 3.01Å; T218-L222 PolarHBondContact O-N 3.5Å
219K72.8Confident67.9Low161 Ų161107.7 Ų107.770%0.756%0.557SS**Hα-helixtrans-65.2-38.7173.5-67.9-173.9178.2177.90114.4T217 L222 N223T217-K219 HydrophobicContact CG2-CB 4.34Å; T217-K219 CarbonylContact O-C 3.53Å; T217-K219 PolarHBondContact O-N 3.42Å; K219-L222 PolarHBondContact O-N 2.93Å; K219-N223 PolarHBondContact O-N 2.94Å; K219-N223 PolarHBondContact O-ND2 2.94Å
220K77.6Confident69.8Low109 Ų109104.8 Ų104.847%0.47454%0.539SS..Hα-helixtrans-66.4-42.2174.7-75-171.4177.9-174.80110.5I216 T217 L222 N223 V224I216-K220 HydrophobicContact CG2-CB 3.59Å; I216-K220 HydrophobicContact CG2-CD 4.36Å; T217-K220 WeakPolarHBondContact O-CA 3.06Å; T217-K220 WeakPolarHBondContact O-CB 3.38Å; T217-K220 PolarHBondContact O-N 3.3Å; K220-L222 VanDerWaalsContact C-N 3.35Å; K220-L222 PolarHBondContact O-N 2.98Å; K220-N223 PolarHBondContact O-N 3.31Å; K220-V224 VanDerWaalsContact O-CG2 3.27Å; K220-V224 WeakPolarHBondContact O-CG2 3.17Å; K220-V224 PolarHBondContact O-N 3.42Å
221W82.5Confident72.3Confident136 Ų13699.3 Ų99.352%0.51550%0.501SS..Hα-helixtrans-61.9-40.9175.3-81.2115.4000112.7I216 T217 T218 N223 V224 E225 L254I216-W221 HydrophobicContact CD1-CZ2 3.72Å; I216-W221 HydrophobicContact CG2-CD2 4.01Å; I216-W221 HydrophobicContact CG2-CG 3.79Å; I216-W221 HydrophobicContact CG2-CZ2 4.43Å; T217-W221 PolarHBondContact O-N 3.18Å; T218-W221 PolarHBondContact O-N 3.01Å; W221-N223 VanDerWaalsContact C-N 3.3Å; W221-N223 PolarHBondContact O-N 3.44Å; W221-V224 HydrophobicContact CE3-CB 4.45Å; W221-V224 HydrophobicContact CE3-CG1 4.31Å; W221-V224 HydrophobicContact CZ3-CG1 4.35Å; W221-V224 PolarHBondContact O-N 2.96Å; W221-E225 WeakPolarHBondContact O-CB 3.19Å; W221-E225 PolarHBondContact O-N 3.41Å; W221-L254 HydrophobicContact CH2-CD2 4.03Å; W221-L254 HydrophobicContact CZ2-CD2 4.44Å; W221-L254 HydrophobicContact CZ3-CD2 4.13Å
222L79.9Confident74.7Confident112 Ų11298.9 Ų98.959%0.58649%0.492SS*.Hα-helixtrans-60.3-40.5175-173.366.4000112.2T218 K219 K220 K226T218-L222 PolarHBondContact O-N 3.5Å; K219-L222 PolarHBondContact O-N 2.93Å; K220-L222 VanDerWaalsContact C-N 3.35Å; K220-L222 PolarHBondContact O-N 2.98Å; L222-K226 WeakPolarHBondContact O-CB 3.5Å; L222-K226 PolarHBondContact O-N 3.32Å; L222-K226 VanDerWaalsContact O-N 3.07Å
223N80Confident76.9Confident87 Ų8797.4 Ų97.447%0.46548%0.481SS..Hα-helixtrans-68.3-41.1176.2-68.4-18.9000111.9K219 K220 W221 K226 D227K219-N223 PolarHBondContact O-N 2.94Å; K219-N223 PolarHBondContact O-ND2 2.94Å; K220-N223 PolarHBondContact O-N 3.31Å; W221-N223 VanDerWaalsContact C-N 3.3Å; W221-N223 PolarHBondContact O-N 3.44Å; N223-K226 PolarHBondContact O-N 3.38Å; N223-D227 PolarHBondContact O-N 2.82Å
224V89.1Confident79.3Confident3 Ų391 Ų912%0.01845%0.449CS..Hα-helixtrans-60.4-46.5175.7169.70000110.7K220 W221 K226 D227 I228 L254K220-V224 VanDerWaalsContact O-CG2 3.27Å; K220-V224 WeakPolarHBondContact O-CG2 3.17Å; K220-V224 PolarHBondContact O-N 3.42Å; W221-V224 HydrophobicContact CE3-CB 4.45Å; W221-V224 HydrophobicContact CE3-CG1 4.31Å; W221-V224 HydrophobicContact CZ3-CG1 4.35Å; W221-V224 PolarHBondContact O-N 2.96Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 2.97Å; V224-D227 PolarHBondContact O-N 3.31Å; V224-I228 HydrophobicContact CG1-CD1 3.71Å; V224-I228 HydrophobicContact CG1-CG1 4.44Å; V224-I228 VanDerWaalsContact O-CG1 3.27Å; V224-I228 WeakPolarHBondContact O-CG1 3.41Å; V224-I228 PolarHBondContact O-N 2.86Å; V224-L254 HydrophobicContact CG1-CD1 4.3Å; V224-L254 HydrophobicContact CG1-CD2 4.36Å; V224-L254 HydrophobicContact CG1-CG 4.35Å; V224-L254 HydrophobicContact CG2-CD2 3.87Å; V224-L254 HydrophobicContact CG2-CG 3.89Å
225E88.4Confident81.3Confident95 Ų9583.3 Ų83.344%0.44443%0.428SS..Hα-helixtrans-61.5-42.4178.2-168-168.715200111.7W221 I228 K229W221-E225 WeakPolarHBondContact O-CB 3.19Å; W221-E225 PolarHBondContact O-N 3.41Å; E225-I228 PolarHBondContact O-N 2.99Å; E225-K229 HydrophobicContact CG-CD 4.41Å; E225-K229 WeakPolarHBondContact O-CB 3.24Å; E225-K229 WeakPolarHBondContact O-CG 3.14Å; E225-K229 PolarHBondContact O-N 3.37Å; E225-K229 VanDerWaalsContact OE1-CE 3.31Å; E225-K229 WeakPolarHBondContact OE1-CE 3.46Å; E225-K229 IonicContact OE1-NZ 2.67Å; E225-K229 PolarHBondContact OE1-NZ 3.39Å
226K89.3Confident83.1Confident138 Ų13882 Ų8260%0.642%0.421SS*.Hα-helixtrans-61.6-46.7175.9-173.9-179.8178.3-179.60111.9L222 N223 V224 K229 C230L222-K226 WeakPolarHBondContact O-CB 3.5Å; L222-K226 PolarHBondContact O-N 3.32Å; L222-K226 VanDerWaalsContact O-N 3.07Å; N223-K226 PolarHBondContact O-N 3.38Å; V224-K226 VanDerWaalsContact C-N 3.33Å; V224-K226 PolarHBondContact O-N 2.97Å; K226-K229 PolarHBondContact O-N 3.45Å; K226-C230 PolarHBondContact O-N 2.76Å; K226-C230 PolarHBondContact O-SG 2.88Å; K226-C230 VanDerWaalsContact O-SG 3.41Å
227D91Very high84.6Confident10 Ų1088.7 Ų88.75%0.05344%0.444CS..Hα-helixtrans-64.6-40.1179.3-73.3-20.9000111.3N223 V224 C230 A231 Y246 Q249 A250N223-D227 PolarHBondContact O-N 2.82Å; V224-D227 PolarHBondContact O-N 3.31Å; D227-C230 PolarHBondContact O-N 2.94Å; D227-A231 WeakPolarHBondContact O-CB 3.49Å; D227-A231 PolarHBondContact O-N 3.15Å; D227-Y246 WeakPolarHBondContact O-CB 3.36Å; D227-Q249 VanDerWaalsContact CG-NE2 3.31Å; D227-Q249 PolarHBondContact OD1-NE2 3.31Å; D227-Q249 VanDerWaalsContact OD2-CG 3.27Å; D227-Q249 WeakPolarHBondContact OD2-CG 3.48Å; D227-Q249 PolarHBondContact OD2-NE2 3.15Å; D227-A250 HydrophobicContact CB-CB 3.88Å
228I93.9Very high85.6Confident88 Ų8893.4 Ų93.445%0.45146%0.46SS..Hα-helixtrans-62.9-44175-68.9168000111.2V224 E225 C230 A231 L232 A250V224-I228 HydrophobicContact CG1-CD1 3.71Å; V224-I228 HydrophobicContact CG1-CG1 4.44Å; V224-I228 VanDerWaalsContact O-CG1 3.27Å; V224-I228 WeakPolarHBondContact O-CG1 3.41Å; V224-I228 PolarHBondContact O-N 2.86Å; E225-I228 PolarHBondContact O-N 2.99Å; I228-C230 PolarHBondContact O-N 3.46Å; I228-A231 PolarHBondContact O-N 3.22Å; I228-L232 PolarHBondContact O-N 2.84Å; I228-A250 HydrophobicContact CG1-CB 4.15Å
229K91.4Very high86.6Confident110 Ų11090.6 Ų90.648%0.47844%0.441SS..Hα-helixtrans-60.9-43.7176.1-77.2172.5171172.40111.5E225 K226 L232 S233E225-K229 HydrophobicContact CG-CD 4.41Å; E225-K229 WeakPolarHBondContact O-CB 3.24Å; E225-K229 WeakPolarHBondContact O-CG 3.14Å; E225-K229 PolarHBondContact O-N 3.37Å; E225-K229 VanDerWaalsContact OE1-CE 3.31Å; E225-K229 WeakPolarHBondContact OE1-CE 3.46Å; E225-K229 IonicContact OE1-NZ 2.67Å; E225-K229 PolarHBondContact OE1-NZ 3.39Å; K226-K229 PolarHBondContact O-N 3.45Å; K229-L232 PolarHBondContact O-N 3.16Å; K229-S233 PolarHBondContact O-N 3.11Å; K229-S233 PolarHBondContact O-OG 3.05Å
230C85.9Confident87.4Confident39 Ų3992.8 Ų92.826%0.26444%0.444SS..Hα-helixtrans-64-39.4175.6-70.90000112.7K226 D227 I228 S233 A234 Y246K226-C230 PolarHBondContact O-N 2.76Å; K226-C230 PolarHBondContact O-SG 2.88Å; K226-C230 VanDerWaalsContact O-SG 3.41Å; D227-C230 PolarHBondContact O-N 2.94Å; I228-C230 PolarHBondContact O-N 3.46Å; C230-S233 PolarHBondContact O-N 2.96Å; C230-A234 PolarHBondContact O-N 3.41Å; C230-Y246 HydrophobicContact CB-CD1 3.72Å; C230-Y246 HydrophobicContact CB-CD2 3.68Å; C230-Y246 HydrophobicContact CB-CE1 3.78Å; C230-Y246 HydrophobicContact CB-CE2 3.72Å; C230-Y246 HydrophobicContact CB-CG 3.69Å
231A91.9Very high88.1Confident4 Ų495.6 Ų95.63%0.03346%0.459CS..Hα-helixtrans-63-42.6174.700000112D227 I228 A234 S235 L247D227-A231 WeakPolarHBondContact O-CB 3.49Å; D227-A231 PolarHBondContact O-N 3.15Å; I228-A231 PolarHBondContact O-N 3.22Å; A231-A234 PolarHBondContact O-N 3.43Å; A231-S235 WeakPolarHBondContact O-CB 3.27Å; A231-S235 PolarHBondContact O-N 3Å; A231-L247 HydrophobicContact CB-CD2 3.94Å; A231-L247 HydrophobicContact CB-CG 3.93Å
232L90.3Very high88.4Confident111 Ų11191.2 Ų91.258%0.58145%0.448SS*.Hα-helixtrans-62.3-44.1176.7-176.464.5000111.4I228 K229 A234 S235 N236I228-L232 PolarHBondContact O-N 2.84Å; K229-L232 PolarHBondContact O-N 3.16Å; L232-A234 PolarHBondContact O-N 2.93Å; L232-S235 PolarHBondContact O-N 3.18Å; L232-N236 PolarHBondContact O-N 3.17Å
233S87.5Confident88.9Confident68 Ų6887 Ų8748%0.47643%0.427SS..Hα-helixtrans-59.6-45.6174.8-59.80000111.9K229 C230 S235 N236 Y237K229-S233 PolarHBondContact O-N 3.11Å; K229-S233 PolarHBondContact O-OG 3.05Å; C230-S233 PolarHBondContact O-N 2.96Å; S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact O-N 3.11Å; S233-N236 PolarHBondContact O-N 3.5Å; S233-Y237 WeakPolarHBondContact O-CD2 3.35Å
234A86.9Confident89.6Confident9 Ų986 Ų867%0.07442%0.423CS..Hα-helixtrans-64.1-37.4178.200000112.9C230 A231 L232 N236 Y237 Q238 D239 T242 T243C230-A234 PolarHBondContact O-N 3.41Å; A231-A234 PolarHBondContact O-N 3.43Å; L232-A234 PolarHBondContact O-N 2.93Å; A234-N236 VanDerWaalsContact C-N 3.28Å; A234-N236 PolarHBondContact O-N 3.42Å; A234-Y237 PolarHBondContact O-N 3.02Å; A234-Y237 VanDerWaalsContact O-N 3.11Å; A234-Q238 PolarHBondContact O-N 3.12Å; A234-D239 HydrophobicContact CB-CB 4.47Å; A234-D239 PolarHBondContact O-N 3.26Å; A234-D239 VanDerWaalsContact O-N 3.11Å; A234-T242 HydrophobicContact CB-CG2 3.62Å; A234-T243 WeakPolarHBondContact CB-OG1 3.39Å
235S87.9Confident89.8Confident64 Ų6491.8 Ų91.845%0.44845%0.448SS..Hα-helixtrans-62.4-35.5177.3-173.90000112.1A231 L232 S233 Y237 Q238 T243A231-S235 WeakPolarHBondContact O-CB 3.27Å; A231-S235 PolarHBondContact O-N 3Å; L232-S235 PolarHBondContact O-N 3.18Å; S233-S235 VanDerWaalsContact C-N 3.34Å; S233-S235 PolarHBondContact O-N 3.11Å; S235-Y237 PolarHBondContact O-N 3.49Å; S235-Q238 PolarHBondContact O-N 2.91Å; S235-T243 WeakPolarHBondContact CA-OG1 3.44Å; S235-T243 PolarHBondContact N-OG1 3.48Å; S235-T243 VanDerWaalsContact N-OG1 3.15Å
236N86.9Confident90Very high121 Ų12190.2 Ų90.265%0.64744%0.439SS*.Hα-helixtrans-65.1-25.5177.1-69.4-18000112.9L232 S233 A234L232-N236 PolarHBondContact O-N 3.17Å; S233-N236 PolarHBondContact O-N 3.5Å; A234-N236 VanDerWaalsContact C-N 3.28Å; A234-N236 PolarHBondContact O-N 3.42Å
237Y89.1Confident90.3Very high194 Ų19487.5 Ų87.576%0.76143%0.43SS*.THydrogen-bonded Turntrans-95.59.2174.7-64.6-77.6000113.2S233 A234 S235 D239S233-Y237 WeakPolarHBondContact O-CD2 3.35Å; A234-Y237 PolarHBondContact O-N 3.02Å; A234-Y237 VanDerWaalsContact O-N 3.11Å; S235-Y237 PolarHBondContact O-N 3.49Å; Y237-D239 PolarHBondContact O-N 3.33Å; Y237-D239 VanDerWaalsContact O-N 3.11Å
238Q85.7Confident90.4Very high179 Ų17991.9 Ų91.984%0.83645%0.449SS*.THydrogen-bonded Turntrans54.925.3-175.2-56.5179.8-0.500113.2A234 S235 R240A234-Q238 PolarHBondContact O-N 3.12Å; S235-Q238 PolarHBondContact O-N 2.91Å; Q238-R240 PolarHBondContact O-N 2.94Å
239D89.8Confident90.3Very high65 Ų6591.8 Ų91.835%0.34845%0.446SS..  trans-80.889.1176.1-176.4-15.7000109.3A234 Y237 E241 T242 T243A234-D239 HydrophobicContact CB-CB 4.47Å; A234-D239 PolarHBondContact O-N 3.26Å; A234-D239 VanDerWaalsContact O-N 3.11Å; Y237-D239 PolarHBondContact O-N 3.33Å; Y237-D239 VanDerWaalsContact O-N 3.11Å; D239-E241 VanDerWaalsContact C-N 3.33Å; D239-E241 PolarHBondContact O-N 3.33Å; D239-E241 PolarHBondContact OD1-N 3.17Å; D239-T242 WeakPolarHBondContact OD1-CB 3.47Å; D239-T242 PolarHBondContact OD1-N 3.02Å; D239-T242 PolarHBondContact OD1-OG1 3.46Å; D239-T242 WeakPolarHBondContact OD2-CB 3.49Å; D239-T242 PolarHBondContact OD2-OG1 3.23Å; D239-T243 VanDerWaalsContact O-CB 3.28Å; D239-T243 WeakPolarHBondContact O-CB 3.49Å; D239-T243 PolarHBondContact O-N 3.43Å; D239-T243 PolarHBondContact O-OG1 3.48Å
240R90.8Very high90.3Very high206 Ų20686.8 Ų86.878%0.77743%0.426SS*.Hα-helixtrans-59.1-42.4-179-179-178.4173.2-170.5-1.9112.2Q238 V244Q238-R240 PolarHBondContact O-N 2.94Å; R240-V244 HydrophobicContact CG-CG2 4.44Å; R240-V244 WeakPolarHBondContact O-CB 3.49Å; R240-V244 VanDerWaalsContact O-CG2 3.26Å; R240-V244 WeakPolarHBondContact O-CG2 3.38Å; R240-V244 PolarHBondContact O-N 2.97Å
241E91.7Very high90.6Very high168 Ų16888.2 Ų88.279%0.78543%0.431SS*.Hα-helixtrans-67.9-47.4-174.6-68-170.9172.200111D239 V244 K245D239-E241 VanDerWaalsContact C-N 3.33Å; D239-E241 PolarHBondContact O-N 3.33Å; D239-E241 PolarHBondContact OD1-N 3.17Å; E241-V244 PolarHBondContact O-N 3.32Å; E241-K245 WeakPolarHBondContact O-CB 3.4Å; E241-K245 PolarHBondContact O-N 3.43Å
242T88.6Confident90.5Very high45 Ų4595.5 Ų95.528%0.27646%0.461SS..Hα-helixtrans-66.7-38.8178.3-59.70000111.6A234 D239 K245 Y246A234-T242 HydrophobicContact CB-CG2 3.62Å; D239-T242 WeakPolarHBondContact OD1-CB 3.47Å; D239-T242 PolarHBondContact OD1-N 3.02Å; D239-T242 PolarHBondContact OD1-OG1 3.46Å; D239-T242 WeakPolarHBondContact OD2-CB 3.49Å; D239-T242 PolarHBondContact OD2-OG1 3.23Å; T242-K245 PolarHBondContact O-N 3.16Å; T242-Y246 HydrophobicContact CG2-CD2 3.7Å; T242-Y246 HydrophobicContact CG2-CE2 3.47Å; T242-Y246 VanDerWaalsContact CG2-CE2 3.47Å; T242-Y246 VanDerWaalsContact O-CD2 3.28Å; T242-Y246 WeakPolarHBondContact O-CD2 3.28Å; T242-Y246 PolarHBondContact O-N 2.98Å; T242-Y246 VanDerWaalsContact O-N 3.16Å
243T91.3Very high90.3Very high24 Ų2491.9 Ų91.915%0.14745%0.445CS..Hα-helixtrans-60.5-50.4175.9-57.20000111.1A234 S235 D239 K245 Y246 L247A234-T243 WeakPolarHBondContact CB-OG1 3.39Å; S235-T243 WeakPolarHBondContact CA-OG1 3.44Å; S235-T243 PolarHBondContact N-OG1 3.48Å; S235-T243 VanDerWaalsContact N-OG1 3.15Å; D239-T243 VanDerWaalsContact O-CB 3.28Å; D239-T243 WeakPolarHBondContact O-CB 3.49Å; D239-T243 PolarHBondContact O-N 3.43Å; D239-T243 PolarHBondContact O-OG1 3.48Å; T243-K245 VanDerWaalsContact C-N 3.32Å; T243-K245 PolarHBondContact O-N 3.41Å; T243-Y246 PolarHBondContact O-N 3.36Å; T243-L247 HydrophobicContact CG2-CD1 4.03Å; T243-L247 WeakPolarHBondContact O-CG 3.39Å; T243-L247 PolarHBondContact O-N 3.43Å; T243-L247 VanDerWaalsContact O-N 3.12Å
244V93.4Very high90.3Very high64 Ų6491.7 Ų91.739%0.38844%0.439SS..Hα-helixtrans-62.4-39.8179170.60000111.3R240 E241 L247 K248R240-V244 HydrophobicContact CG-CG2 4.44Å; R240-V244 WeakPolarHBondContact O-CB 3.49Å; R240-V244 VanDerWaalsContact O-CG2 3.26Å; R240-V244 WeakPolarHBondContact O-CG2 3.38Å; R240-V244 PolarHBondContact O-N 2.97Å; E241-V244 PolarHBondContact O-N 3.32Å; V244-L247 PolarHBondContact O-N 3.01Å; V244-K248 HydrophobicContact CG1-CD 4.22Å; V244-K248 HydrophobicContact CG1-CG 4.42Å; V244-K248 WeakPolarHBondContact O-CG 3.43Å; V244-K248 PolarHBondContact O-N 3.48Å
245K93.9Very high90.2Very high126 Ų12694.4 Ų94.455%0.54847%0.468SS..Hα-helixtrans-57.1-52.3178.2177.9-175173.7-175.80112.1E241 T242 T243 K248 Q249E241-K245 WeakPolarHBondContact O-CB 3.4Å; E241-K245 PolarHBondContact O-N 3.43Å; T242-K245 PolarHBondContact O-N 3.16Å; T243-K245 VanDerWaalsContact C-N 3.32Å; T243-K245 PolarHBondContact O-N 3.41Å; K245-K248 PolarHBondContact O-N 3.31Å; K245-Q249 PolarHBondContact O-N 2.94Å; K245-Q249 VanDerWaalsContact O-N 3.11Å
246Y93.7Very high90.1Very high62 Ų6294.7 Ų94.724%0.24347%0.467CS..Hα-helixtrans-70.7-35.7-177.5-76.2-64.6000112.8D227 C230 T242 T243 K248 Q249 A250D227-Y246 WeakPolarHBondContact O-CB 3.36Å; C230-Y246 HydrophobicContact CB-CD1 3.72Å; C230-Y246 HydrophobicContact CB-CD2 3.68Å; C230-Y246 HydrophobicContact CB-CE1 3.78Å; C230-Y246 HydrophobicContact CB-CE2 3.72Å; C230-Y246 HydrophobicContact CB-CG 3.69Å; T242-Y246 HydrophobicContact CG2-CD2 3.7Å; T242-Y246 HydrophobicContact CG2-CE2 3.47Å; T242-Y246 VanDerWaalsContact CG2-CE2 3.47Å; T242-Y246 VanDerWaalsContact O-CD2 3.28Å; T242-Y246 WeakPolarHBondContact O-CD2 3.28Å; T242-Y246 PolarHBondContact O-N 2.98Å; T242-Y246 VanDerWaalsContact O-N 3.16Å; T243-Y246 PolarHBondContact O-N 3.36Å; Y246-K248 PolarHBondContact O-N 3.41Å; Y246-Q249 PolarHBondContact O-N 3.46Å; Y246-A250 PolarHBondContact O-N 3.29Å
247L94.3Very high89.6Confident80 Ų8096.6 Ų96.642%0.41948%0.477SS..Hα-helixtrans-62-42.8173.8-71.2174.5000112.1A231 T243 V244 Q249 A250 L251A231-L247 HydrophobicContact CB-CD2 3.94Å; A231-L247 HydrophobicContact CB-CG 3.93Å; T243-L247 HydrophobicContact CG2-CD1 4.03Å; T243-L247 WeakPolarHBondContact O-CG 3.39Å; T243-L247 PolarHBondContact O-N 3.43Å; T243-L247 VanDerWaalsContact O-N 3.12Å; V244-L247 PolarHBondContact O-N 3.01Å; L247-Q249 VanDerWaalsContact C-N 3.29Å; L247-Q249 PolarHBondContact O-N 2.99Å; L247-A250 PolarHBondContact O-N 3.03Å; L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 WeakPolarHBondContact O-CG 3.15Å; L247-L251 PolarHBondContact O-N 3.2Å
248K93.8Very high88.8Confident103 Ų10393.7 Ų93.745%0.44847%0.473SS..Hα-helixtrans-61.6-38.6174-76-173.7172.3-160.40112V244 K245 Y246 L251 K252 I258V244-K248 HydrophobicContact CG1-CD 4.22Å; V244-K248 HydrophobicContact CG1-CG 4.42Å; V244-K248 WeakPolarHBondContact O-CG 3.43Å; V244-K248 PolarHBondContact O-N 3.48Å; K245-K248 PolarHBondContact O-N 3.31Å; Y246-K248 PolarHBondContact O-N 3.41Å; K248-L251 PolarHBondContact O-N 3.25Å; K248-K252 WeakPolarHBondContact O-CB 3.18Å; K248-K252 PolarHBondContact O-N 2.61Å; K248-I258 HydrophobicContact CG-CD1 4.32Å; K248-I258 HydrophobicContact CG-CG2 4.48Å
249Q91.6Very high88.9Confident85 Ų8589.5 Ų89.540%0.39746%0.455SS..Hα-helixtrans-68.3-41.2179.3-160.4-178-55.700112.6D227 K245 Y246 L247 K252 S253D227-Q249 VanDerWaalsContact CG-NE2 3.31Å; D227-Q249 PolarHBondContact OD1-NE2 3.31Å; D227-Q249 VanDerWaalsContact OD2-CG 3.27Å; D227-Q249 WeakPolarHBondContact OD2-CG 3.48Å; D227-Q249 PolarHBondContact OD2-NE2 3.15Å; K245-Q249 PolarHBondContact O-N 2.94Å; K245-Q249 VanDerWaalsContact O-N 3.11Å; Y246-Q249 PolarHBondContact O-N 3.46Å; L247-Q249 VanDerWaalsContact C-N 3.29Å; L247-Q249 PolarHBondContact O-N 2.99Å; Q249-K252 PolarHBondContact O-N 2.94Å; Q249-S253 PolarHBondContact O-N 3.43Å; Q249-S253 PolarHBondContact O-OG 3.11Å
250A92Very high88.9Confident6 Ų690.7 Ų90.75%0.0546%0.461CS..Hα-helixtrans-60.8-47.5174.200000111.1D227 I228 Y246 L247 K252 S253 L254D227-A250 HydrophobicContact CB-CB 3.88Å; I228-A250 HydrophobicContact CG1-CB 4.15Å; Y246-A250 PolarHBondContact O-N 3.29Å; L247-A250 PolarHBondContact O-N 3.03Å; A250-K252 PolarHBondContact O-N 3.23Å; A250-S253 WeakPolarHBondContact O-CB 3.48Å; A250-S253 PolarHBondContact O-N 3.05Å; A250-L254 WeakPolarHBondContact O-CG 3.26Å; A250-L254 PolarHBondContact O-N 3.11Å; A250-L254 VanDerWaalsContact O-N 3.16Å
251L91.3Very high88.8Confident69 Ų6984.3 Ų84.336%0.36144%0.443SS..Hα-helixtrans-65.6-39.4179.1-72166.8000112.6L247 K248 S253 L254 G255 V256 I258L247-L251 WeakPolarHBondContact O-CB 3.45Å; L247-L251 WeakPolarHBondContact O-CG 3.15Å; L247-L251 PolarHBondContact O-N 3.2Å; K248-L251 PolarHBondContact O-N 3.25Å; L251-S253 VanDerWaalsContact C-N 3.29Å; L251-S253 PolarHBondContact O-N 2.66Å; L251-L254 CarbonylContact O-C 3.49Å; L251-L254 WeakPolarHBondContact O-CA 3.46Å; L251-L254 WeakPolarHBondContact O-CB 3.28Å; L251-L254 PolarHBondContact O-N 3.06Å; L251-G255 PolarHBondContact O-N 3.32Å; L251-V256 HydrophobicContact CB-CB 4.2Å; L251-V256 HydrophobicContact CD2-CB 4.5Å; L251-V256 HydrophobicContact CD2-CG2 4.34Å; L251-V256 PolarHBondContact O-N 3.37Å; L251-I258 HydrophobicContact CB-CD1 3.31Å; L251-I258 HydrophobicContact CB-CG1 4.41Å; L251-I258 HydrophobicContact CD1-CD1 3.29Å; L251-I258 HydrophobicContact CG-CD1 3.88Å
252K90Very high88.6Confident156 Ų15679.4 Ų79.468%0.67842%0.423SS*.Hα-helixtrans-61.1-37.9172.9-172173.2-175.7172.70112.1K248 Q249 A250 L254 G255K248-K252 WeakPolarHBondContact O-CB 3.18Å; K248-K252 PolarHBondContact O-N 2.61Å; Q249-K252 PolarHBondContact O-N 2.94Å; A250-K252 PolarHBondContact O-N 3.23Å; K252-L254 PolarHBondContact O-N 3.37Å; K252-G255 PolarHBondContact O-N 3.11Å; K252-G255 VanDerWaalsContact O-N 3.08Å
253S86.4Confident88.6Confident35 Ų3581.6 Ų81.625%0.24543%0.432CS..Hα-helixtrans-66.5-26.5175.7-63.10000113Q249 A250 L251 G255Q249-S253 PolarHBondContact O-N 3.43Å; Q249-S253 PolarHBondContact O-OG 3.11Å; A250-S253 WeakPolarHBondContact O-CB 3.48Å; A250-S253 PolarHBondContact O-N 3.05Å; L251-S253 VanDerWaalsContact C-N 3.29Å; L251-S253 PolarHBondContact O-N 2.66Å; S253-G255 VanDerWaalsContact C-N 3.32Å
254L86.7Confident88.4Confident64 Ų6485.4 Ų85.434%0.33545%0.451SS..THydrogen-bonded Turntrans-84.1-2.5173.2-65.5172000113.5I216 W221 V224 A250 L251 K252I216-L254 HydrophobicContact CD1-CD2 3.9Å; W221-L254 HydrophobicContact CH2-CD2 4.03Å; W221-L254 HydrophobicContact CZ2-CD2 4.44Å; W221-L254 HydrophobicContact CZ3-CD2 4.13Å; V224-L254 HydrophobicContact CG1-CD1 4.3Å; V224-L254 HydrophobicContact CG1-CD2 4.36Å; V224-L254 HydrophobicContact CG1-CG 4.35Å; V224-L254 HydrophobicContact CG2-CD2 3.87Å; V224-L254 HydrophobicContact CG2-CG 3.89Å; A250-L254 WeakPolarHBondContact O-CG 3.26Å; A250-L254 PolarHBondContact O-N 3.11Å; A250-L254 VanDerWaalsContact O-N 3.16Å; L251-L254 CarbonylContact O-C 3.49Å; L251-L254 WeakPolarHBondContact O-CA 3.46Å; L251-L254 WeakPolarHBondContact O-CB 3.28Å; L251-L254 PolarHBondContact O-N 3.06Å; K252-L254 PolarHBondContact O-N 3.37Å
255G84.9Confident88.1Confident67 Ų6786.9 Ų86.969%0.69146%0.456SS*.THydrogen-bonded Turntrans81.920.2-179.600000114.4L251 K252 S253L251-G255 PolarHBondContact O-N 3.32Å; K252-G255 PolarHBondContact O-N 3.11Å; K252-G255 VanDerWaalsContact O-N 3.08Å; S253-G255 VanDerWaalsContact C-N 3.32Å
256V86.4Confident87.6Confident69 Ų6983.9 Ų83.942%0.41845%0.449SS..  trans-91.8118.7171.5-1760000108.7L251 I258L251-V256 HydrophobicContact CB-CB 4.2Å; L251-V256 HydrophobicContact CD2-CB 4.5Å; L251-V256 HydrophobicContact CD2-CG2 4.34Å; L251-V256 PolarHBondContact O-N 3.37Å; V256-I258 HydrophobicContact CG1-CG1 4.1Å
257D77Confident87.1Confident161 Ų16185.8 Ų85.886%0.86147%0.466SS*.  trans-79.9129.7172.1-86-36.5000110.7
258I71.6Confident86.5Confident134 Ų13486.3 Ų86.369%0.68747%0.47SS*.  trans-137.20-175.3-45.3167.9000110.9K248 L251 V256K248-I258 HydrophobicContact CG-CD1 4.32Å; K248-I258 HydrophobicContact CG-CG2 4.48Å; L251-I258 HydrophobicContact CB-CD1 3.31Å; L251-I258 HydrophobicContact CB-CG1 4.41Å; L251-I258 HydrophobicContact CD1-CD1 3.29Å; L251-I258 HydrophobicContact CG-CD1 3.88Å; V256-I258 HydrophobicContact CG1-CG1 4.1Å

Retrieved 258 of 258 residues in 57.2 ms (Link to these results)

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