A0A3Q0KLK1_SCHMA Loading...

glucose-6-phosphatase

AlphaFold DB , UniProt , Accession A0A3Q0KLK1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 373 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
1M70Confident89.4Confident134 Ų13475.5 Ų75.566%0.6636%0.357SS*.  0-52.50-153.461.8173.400112.9R3 I4 H5M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.41Å; M1-I4 WeakPolarHBondContact O-CB 3.12Å; M1-I4 PolarHBondContact O-N 3.12Å; M1-H5 VanDerWaalsContact CE-NE2 3.34Å; M1-H5 WeakPolarHBondContact CE-NE2 3.32Å; M1-H5 VanDerWaalsContact CG-CE1 3.41Å; M1-H5 WeakPolarHBondContact CG-CE1 3.45Å; M1-H5 PolarHBondContact O-N 3.27Å; M1-H5 VanDerWaalsContact O-N 3.12Å
2N81.2Confident90Very high89 Ų8969.3 Ų69.348%0.47633%0.327SS..Hα-helixtrans-52.7-40.8-176.5-66.3-5.3000114.6I4 H5 N6 W82N2-I4 VanDerWaalsContact C-N 3.34Å; N2-I4 PolarHBondContact O-N 3.29Å; N2-H5 PolarHBondContact O-N 3.09Å; N2-N6 WeakPolarHBondContact O-CB 3.24Å; N2-N6 PolarHBondContact O-N 3.36Å; N2-W82 HydrophobicContact CB-CZ2 4.36Å
3R85.8Confident90.5Very high199 Ų19968 Ų6875%0.75132%0.321SS*.Hα-helixtrans-60.7-40.4175.2-171.7176.9179.3-173.2-0.6113.2M1 N7M1-R3 VanDerWaalsContact C-N 3.31Å; M1-R3 PolarHBondContact O-N 3.41Å; R3-N7 WeakPolarHBondContact O-CB 3.33Å; R3-N7 PolarHBondContact O-N 2.87Å; R3-N7 PolarHBondContact O-OD1 2.99Å
4I91Very high90.9Very high91 Ų9173.9 Ų73.947%0.46734%0.339SS..Hα-helixtrans-67-41.6178.5-62173.4000109.9M1 N2 G8M1-I4 WeakPolarHBondContact O-CB 3.12Å; M1-I4 PolarHBondContact O-N 3.12Å; N2-I4 VanDerWaalsContact C-N 3.34Å; N2-I4 PolarHBondContact O-N 3.29Å; I4-G8 PolarHBondContact O-N 3.39Å
5H91.5Very high91.3Very high8 Ų869.7 Ų69.74%0.03732%0.32CS..Hα-helixtrans-67.5-46.4176.4-65.5155000112.1M1 N2 N7 G8 I9 W82 F163M1-H5 VanDerWaalsContact CE-NE2 3.34Å; M1-H5 WeakPolarHBondContact CE-NE2 3.32Å; M1-H5 VanDerWaalsContact CG-CE1 3.41Å; M1-H5 WeakPolarHBondContact CG-CE1 3.45Å; M1-H5 PolarHBondContact O-N 3.27Å; M1-H5 VanDerWaalsContact O-N 3.12Å; N2-H5 PolarHBondContact O-N 3.09Å; H5-N7 PolarHBondContact O-N 3.33Å; H5-G8 CarbonylContact O-C 3.12Å; H5-G8 WeakPolarHBondContact O-CA 3.46Å; H5-G8 PolarHBondContact O-N 3.47Å; H5-I9 WeakPolarHBondContact O-CG1 3.34Å; H5-I9 PolarHBondContact O-N 2.92Å; H5-W82 HydrophobicContact CB-CD2 3.58Å; H5-W82 VanDerWaalsContact CB-CE2 3.49Å; H5-W82 HydrophobicContact CB-CE3 3.93Å; H5-W82 HydrophobicContact CB-CG 4.13Å; H5-W82 HydrophobicContact CB-CH2 4.15Å; H5-W82 HydrophobicContact CB-CZ2 3.8Å; H5-W82 HydrophobicContact CB-CZ3 4.19Å; H5-W82 AromaticContact CE1-CD1 3.8Å; H5-W82 AromaticContact CE1-NE1 3.99Å; H5-W82 AromaticContact CG-CD1 3.95Å; H5-W82 AromaticContact CG-CE2 3.92Å; H5-W82 AromaticContact CG-NE1 3.82Å; H5-W82 AromaticContact ND1-CD1 3.23Å; H5-W82 AromaticContact ND1-CE2 3.62Å; H5-W82 AromaticContact ND1-CG 3.82Å; H5-W82 AromaticContact ND1-NE1 3.07Å; H5-W82 PolarHBondContact ND1-NE1 3.31Å; H5-F163 HydrophobicContact CB-CE1 4.09Å; H5-F163 HydrophobicContact CB-CZ 3.85Å; H5-F163 AromaticContact CD2-CD2 3.74Å; H5-F163 AromaticContact CD2-CE2 3.44Å; H5-F163 VanDerWaalsContact CD2-CE2 3.44Å; H5-F163 WeakPolarHBondContact CD2-CE2 3.28Å; H5-F163 AromaticContact CD2-CZ 3.62Å; H5-F163 AromaticContact CG-CZ 3.89Å; H5-F163 AromaticContact NE2-CE2 3.89Å; H5-F163 WeakPolarHBondContact O-CE1 3.29Å
6N90.1Very high91.6Very high45 Ų4565.6 Ų65.624%0.24130%0.301CS..Hα-helixtrans-55.5-51.6175.3-86.1-18.5000112.2N2 G8 I9 Q10 W82N2-N6 WeakPolarHBondContact O-CB 3.24Å; N2-N6 PolarHBondContact O-N 3.36Å; N6-G8 PolarHBondContact O-N 3.05Å; N6-I9 PolarHBondContact O-N 3.26Å; N6-I9 VanDerWaalsContact O-N 3.16Å; N6-Q10 WeakPolarHBondContact O-CG 3.47Å; N6-Q10 PolarHBondContact O-N 3.36Å; N6-W82 WeakPolarHBondContact OD1-CH2 3.29Å; N6-W82 WeakPolarHBondContact OD1-CZ3 3.42Å
7N92.8Very high91.8Very high85 Ų8568.4 Ų68.446%0.45532%0.319SS..Hα-helixtrans-60.5-36.2176.5-68.36.9000111.4R3 H5 F11R3-N7 WeakPolarHBondContact O-CB 3.33Å; R3-N7 PolarHBondContact O-N 2.87Å; R3-N7 PolarHBondContact O-OD1 2.99Å; H5-N7 PolarHBondContact O-N 3.33Å; N7-F11 WeakPolarHBondContact O-CB 3.26Å; N7-F11 PolarHBondContact O-N 3.15Å
8G95.5Very high92Very high4 Ų470.5 Ų70.54%0.04133%0.327CS..Hα-helixtrans-65.8-42.1175.300000113.3I4 H5 N6 F11 I12I4-G8 PolarHBondContact O-N 3.39Å; H5-G8 CarbonylContact O-C 3.12Å; H5-G8 WeakPolarHBondContact O-CA 3.46Å; H5-G8 PolarHBondContact O-N 3.47Å; N6-G8 PolarHBondContact O-N 3.05Å; G8-F11 PolarHBondContact O-N 3.07Å; G8-I12 WeakPolarHBondContact O-CD1 3.15Å; G8-I12 WeakPolarHBondContact O-CG1 3.33Å; G8-I12 PolarHBondContact O-N 3.42Å
9I94.8Very high92.1Very high0 Ų072.8 Ų72.80%034%0.338CS..Hα-helixtrans-63.8-46.8174.3-63.8-55.9000110.2H5 N6 F11 I12 Q13 P79 W82 L94 V96 F163H5-I9 WeakPolarHBondContact O-CG1 3.34Å; H5-I9 PolarHBondContact O-N 2.92Å; N6-I9 PolarHBondContact O-N 3.26Å; N6-I9 VanDerWaalsContact O-N 3.16Å; I9-F11 VanDerWaalsContact C-N 3.3Å; I9-F11 PolarHBondContact O-N 2.89Å; I9-I12 PolarHBondContact O-N 3.45Å; I9-I12 VanDerWaalsContact O-N 3.08Å; I9-Q13 WeakPolarHBondContact O-CB 3.44Å; I9-Q13 PolarHBondContact O-N 2.9Å; I9-P79 HydrophobicContact CD1-CB 3.71Å; I9-W82 HydrophobicContact CD1-CE3 4.47Å; I9-W82 HydrophobicContact CG1-CE3 3.95Å; I9-W82 HydrophobicContact CG1-CZ3 4.08Å; I9-L94 HydrophobicContact CB-CD2 4.36Å; I9-L94 HydrophobicContact CG2-CB 4.27Å; I9-L94 HydrophobicContact CG2-CD2 3.72Å; I9-V96 HydrophobicContact CD1-CG1 4.34Å; I9-V96 HydrophobicContact CG2-CG1 3.89Å; I9-F163 HydrophobicContact CD1-CE1 3.58Å; I9-F163 HydrophobicContact CD1-CZ 3.93Å; I9-F163 HydrophobicContact CG1-CE1 3.91Å; I9-F163 HydrophobicContact CG1-CZ 4.4Å
10Q94.6Very high92.3Very high102 Ų10279.4 Ų79.448%0.47737%0.366SS..Hα-helixtrans-58.1-42.7177.3-72.8176.4-11.400112N6 Q13 W14 L94N6-Q10 WeakPolarHBondContact O-CG 3.47Å; N6-Q10 PolarHBondContact O-N 3.36Å; Q10-Q13 PolarHBondContact O-N 3.06Å; Q10-W14 WeakPolarHBondContact O-CB 3.32Å; Q10-W14 PolarHBondContact O-N 3.44Å; Q10-L94 HydrophobicContact CG-CD2 3.64Å
11F96.4Very high92.4Very high74 Ų7478.7 Ų78.733%0.32536%0.364SS..Hα-helixtrans-61.4-44.2174.3173.5-99.7000112.1N7 G8 I9 W14 I15 C157 P164N7-F11 WeakPolarHBondContact O-CB 3.26Å; N7-F11 PolarHBondContact O-N 3.15Å; G8-F11 PolarHBondContact O-N 3.07Å; I9-F11 VanDerWaalsContact C-N 3.3Å; I9-F11 PolarHBondContact O-N 2.89Å; F11-W14 HydrophobicContact CD2-CE3 4.17Å; F11-W14 HydrophobicContact CE2-CE3 4.14Å; F11-W14 HydrophobicContact CE2-CZ3 4.1Å; F11-W14 PolarHBondContact O-N 2.85Å; F11-I15 HydrophobicContact CD1-CD1 4.33Å; F11-I15 HydrophobicContact CE1-CD1 3.86Å; F11-I15 HydrophobicContact CE1-CG2 4.27Å; F11-I15 HydrophobicContact CE2-CG2 3.97Å; F11-I15 HydrophobicContact CZ-CD1 4.36Å; F11-I15 HydrophobicContact CZ-CG2 3.85Å; F11-I15 WeakPolarHBondContact O-CG1 3.29Å; F11-I15 PolarHBondContact O-N 3.48Å; F11-C157 HydrophobicContact CD1-CB 4.47Å; F11-C157 HydrophobicContact CE1-CB 3.89Å; F11-P164 HydrophobicContact CB-CG 4.47Å; F11-P164 HydrophobicContact CD1-CG 3.49Å; F11-P164 VanDerWaalsContact CD1-CG 3.49Å; F11-P164 HydrophobicContact CE1-CG 3.99Å; F11-P164 HydrophobicContact CG-CG 4.14Å
12I97Very high93.6Very high0 Ų076.1 Ų76.10%035%0.351CS..Hα-helixtrans-63.2-45.9178-68.3165.2000110.7G8 I9 W14 I15 Q16 P79 V96 C157 A160 F163G8-I12 WeakPolarHBondContact O-CD1 3.15Å; G8-I12 WeakPolarHBondContact O-CG1 3.33Å; G8-I12 PolarHBondContact O-N 3.42Å; I9-I12 PolarHBondContact O-N 3.45Å; I9-I12 VanDerWaalsContact O-N 3.08Å; I12-W14 VanDerWaalsContact C-N 3.31Å; I12-W14 PolarHBondContact O-N 2.71Å; I12-I15 WeakPolarHBondContact O-CG1 3.39Å; I12-I15 PolarHBondContact O-N 3.06Å; I12-Q16 HydrophobicContact CG2-CG 4.31Å; I12-Q16 WeakPolarHBondContact O-CB 3.29Å; I12-Q16 VanDerWaalsContact O-CG 3.26Å; I12-Q16 WeakPolarHBondContact O-CG 3.29Å; I12-Q16 PolarHBondContact O-N 3.35Å; I12-P79 HydrophobicContact CD1-CB 3.62Å; I12-P79 HydrophobicContact CD1-CG 3.41Å; I12-P79 VanDerWaalsContact CD1-CG 3.41Å; I12-V96 HydrophobicContact CB-CG1 4.25Å; I12-V96 HydrophobicContact CG2-CB 4.25Å; I12-V96 HydrophobicContact CG2-CG1 3.72Å; I12-C157 HydrophobicContact CG1-CB 4.45Å; I12-C157 WeakPolarHBondContact CG2-O 3.37Å; I12-A160 HydrophobicContact CG2-CB 3.98Å; I12-F163 HydrophobicContact CD1-CD1 4.35Å
13Q95.6Very high94.3Very high53 Ų5376.1 Ų76.125%0.24836%0.356CS..Hα-helixtrans-60.9-42.3176.8-1721723.800110.9I9 Q10 Q16 N17 D93 S95I9-Q13 WeakPolarHBondContact O-CB 3.44Å; I9-Q13 PolarHBondContact O-N 2.9Å; Q10-Q13 PolarHBondContact O-N 3.06Å; Q13-Q16 PolarHBondContact O-N 3.4Å; Q13-N17 PolarHBondContact O-N 3.42Å; Q13-N17 PolarHBondContact O-OD1 3.37Å; Q13-D93 PolarHBondContact NE2-O 3.49Å; Q13-S95 WeakPolarHBondContact CG-O 3.34Å
14W95.9Very high94.8Very high150 Ų15070.8 Ų70.857%0.56834%0.342SS*.Hα-helixtrans-61.2-47.1176.6175.373.3000112.9Q10 F11 I12 Q16 N17 F18Q10-W14 WeakPolarHBondContact O-CB 3.32Å; Q10-W14 PolarHBondContact O-N 3.44Å; F11-W14 HydrophobicContact CD2-CE3 4.17Å; F11-W14 HydrophobicContact CE2-CE3 4.14Å; F11-W14 HydrophobicContact CE2-CZ3 4.1Å; F11-W14 PolarHBondContact O-N 2.85Å; I12-W14 VanDerWaalsContact C-N 3.31Å; I12-W14 PolarHBondContact O-N 2.71Å; W14-Q16 VanDerWaalsContact C-N 3.32Å; W14-Q16 PolarHBondContact O-N 3.06Å; W14-N17 WeakPolarHBondContact O-CB 3.29Å; W14-N17 PolarHBondContact O-N 2.96Å; W14-F18 HydrophobicContact CZ2-CE2 4.16Å; W14-F18 HydrophobicContact CZ2-CZ 4.45Å
15I96.7Very high95.1Very high11 Ų1167.1 Ų67.16%0.05632%0.322CS..Hα-helixtrans-69-30.3177.561.9-177.6000112.4F11 I12 N17 F18 C157 Y158F11-I15 HydrophobicContact CD1-CD1 4.33Å; F11-I15 HydrophobicContact CE1-CD1 3.86Å; F11-I15 HydrophobicContact CE1-CG2 4.27Å; F11-I15 HydrophobicContact CE2-CG2 3.97Å; F11-I15 HydrophobicContact CZ-CD1 4.36Å; F11-I15 HydrophobicContact CZ-CG2 3.85Å; F11-I15 WeakPolarHBondContact O-CG1 3.29Å; F11-I15 PolarHBondContact O-N 3.48Å; I12-I15 WeakPolarHBondContact O-CG1 3.39Å; I12-I15 PolarHBondContact O-N 3.06Å; I15-N17 PolarHBondContact O-N 2.93Å; I15-F18 WeakPolarHBondContact O-CD2 3.45Å; I15-F18 PolarHBondContact O-N 2.96Å; I15-C157 HydrophobicContact CD1-CB 3.68Å; I15-Y158 HydrophobicContact CB-CD2 4.36Å; I15-Y158 VanDerWaalsContact CD1-CA 3.48Å; I15-Y158 VanDerWaalsContact CD1-N 3.33Å; I15-Y158 HydrophobicContact CG1-CD2 4.25Å; I15-Y158 WeakPolarHBondContact O-CD2 3.48Å; I15-Y158 WeakPolarHBondContact O-CE2 3.49Å
16Q96.3Very high95.3Very high5 Ų568.5 Ų68.52%0.02333%0.331CS..Hα-helixtrans-71.5-15.8177.3-76.5-175.6-16.300113.6I12 Q13 W14 F18 K97 Y158I12-Q16 HydrophobicContact CG2-CG 4.31Å; I12-Q16 WeakPolarHBondContact O-CB 3.29Å; I12-Q16 VanDerWaalsContact O-CG 3.26Å; I12-Q16 WeakPolarHBondContact O-CG 3.29Å; I12-Q16 PolarHBondContact O-N 3.35Å; Q13-Q16 PolarHBondContact O-N 3.4Å; W14-Q16 VanDerWaalsContact C-N 3.32Å; W14-Q16 PolarHBondContact O-N 3.06Å; Q16-F18 PolarHBondContact O-N 3.36Å; Q16-K97 PolarHBondContact NE2-O 3.11Å; Q16-Y158 HydrophobicContact CG-CD2 4.47Å; Q16-Y158 WeakPolarHBondContact CG-O 3.37Å; Q16-Y158 PolarHBondContact NE2-O 3.42Å
17N95.8Very high95.6Very high113 Ų11370.3 Ų70.360%0.60434%0.344SS*.THydrogen-bonded Turntrans-63.7-19.9171-68.4-23.2000112.3Q13 W14 I15 E19Q13-N17 PolarHBondContact O-N 3.42Å; Q13-N17 PolarHBondContact O-OD1 3.37Å; W14-N17 WeakPolarHBondContact O-CB 3.29Å; W14-N17 PolarHBondContact O-N 2.96Å; I15-N17 PolarHBondContact O-N 2.93Å; N17-E19 VanDerWaalsContact C-N 3.26Å; N17-E19 PolarHBondContact O-N 3.29Å; N17-E19 VanDerWaalsContact O-N 3.13Å
18F96Very high95.8Very high106 Ų10667.1 Ų67.147%0.46533%0.327SS..  trans-87.161.3174.7-58.9-81.6000111.3W14 I15 Q16 K20 L21 Y158W14-F18 HydrophobicContact CZ2-CE2 4.16Å; W14-F18 HydrophobicContact CZ2-CZ 4.45Å; I15-F18 WeakPolarHBondContact O-CD2 3.45Å; I15-F18 PolarHBondContact O-N 2.96Å; Q16-F18 PolarHBondContact O-N 3.36Å; F18-K20 PolarHBondContact O-N 2.88Å; F18-L21 HydrophobicContact CB-CD1 3.72Å; F18-L21 HydrophobicContact CB-CG 4.09Å; F18-L21 HydrophobicContact CG-CD1 4.43Å; F18-L21 WeakPolarHBondContact O-CB 3.43Å; F18-L21 PolarHBondContact O-N 3.47Å; F18-Y158 PolarHBondContact O-OH 3.48Å
19E93.2Very high95.9Very high115 Ų11566.9 Ų66.954%0.53733%0.325SS..G310 helixtrans-54.1-33.3-170.8-60.6-176169.400114N17 L21 E22 K97N17-E19 VanDerWaalsContact C-N 3.26Å; N17-E19 PolarHBondContact O-N 3.29Å; N17-E19 VanDerWaalsContact O-N 3.13Å; E19-L21 PolarHBondContact O-N 3.28Å; E19-E22 WeakPolarHBondContact O-CB 3.47Å; E19-E22 PolarHBondContact O-N 3.21Å; E19-K97 IonicContact OE1-NZ 3.31Å; E19-K97 PolarHBondContact OE1-NZ 3.04Å
20K95.2Very high95.9Very high203 Ų20371.6 Ų71.688%0.88335%0.347SS*.G310 helixtrans-60.4-16.1177.5-65.1-175.5179.5-1800113.9F18F18-K20 PolarHBondContact O-N 2.88Å
21L94.8Very high95.9Very high65 Ų6571.7 Ų71.734%0.3435%0.35SS..G310 helixtrans-88.1-6.3178.7-58.9180000113.4F18 E19 L24 F25 Y158F18-L21 HydrophobicContact CB-CD1 3.72Å; F18-L21 HydrophobicContact CB-CG 4.09Å; F18-L21 HydrophobicContact CG-CD1 4.43Å; F18-L21 WeakPolarHBondContact O-CB 3.43Å; F18-L21 PolarHBondContact O-N 3.47Å; E19-L21 PolarHBondContact O-N 3.28Å; L21-L24 HydrophobicContact CD2-CD2 4.32Å; L21-L24 WeakPolarHBondContact O-CB 3.1Å; L21-L24 PolarHBondContact O-N 3.26Å; L21-L24 VanDerWaalsContact O-N 3.17Å; L21-F25 HydrophobicContact CB-CD2 3.64Å; L21-F25 HydrophobicContact CB-CE2 3.45Å; L21-F25 VanDerWaalsContact CB-CE2 3.45Å; L21-F25 HydrophobicContact CB-CZ 4.42Å; L21-F25 HydrophobicContact CD1-CE2 3.71Å; L21-F25 HydrophobicContact CD1-CZ 4.14Å; L21-F25 HydrophobicContact CG-CE2 4.2Å; L21-F25 WeakPolarHBondContact O-CD2 3.41Å; L21-F25 PolarHBondContact O-N 3.4Å; L21-Y158 HydrophobicContact CB-CE2 4.45Å
22E94.7Very high95.9Very high81 Ų8168.2 Ų68.238%0.37934%0.335SS..Hα-helixtrans-52.3-49.8179.5174.3-167.9166.700113.2E19 L24 F25 T26 Y99 Y158E19-E22 WeakPolarHBondContact O-CB 3.47Å; E19-E22 PolarHBondContact O-N 3.21Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.21Å; E22-F25 PolarHBondContact O-N 3.28Å; E22-T26 WeakPolarHBondContact O-CB 3.35Å; E22-T26 PolarHBondContact O-N 3.49Å; E22-T26 PolarHBondContact O-OG1 2.91Å; E22-Y99 HydrophobicContact CB-CE1 4.42Å; E22-Y99 HydrophobicContact CG-CD1 4Å; E22-Y99 HydrophobicContact CG-CE1 3.6Å; E22-Y158 HydrophobicContact CB-CE1 3.99Å; E22-Y158 HydrophobicContact CG-CE1 4.47Å; E22-Y158 PolarHBondContact N-OH 2.97Å
23P96.5Very high95.8Very high88 Ų8869.1 Ų69.157%0.57134%0.341SS*.Hα-helixtrans-62.3-39.3-179-22.534.8000111.9V27P23-V27 WeakPolarHBondContact O-CG2 3.34Å; P23-V27 PolarHBondContact O-N 2.88Å
24L96.6Very high95.8Very high87 Ų8767.4 Ų67.446%0.45533%0.334SS..Hα-helixtrans-61.5-52176.9174.666.9000110.8L21 E22 T26 V27 V28L21-L24 HydrophobicContact CD2-CD2 4.32Å; L21-L24 WeakPolarHBondContact O-CB 3.1Å; L21-L24 PolarHBondContact O-N 3.26Å; L21-L24 VanDerWaalsContact O-N 3.17Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 3.21Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 2.99Å; L24-V27 PolarHBondContact O-N 2.7Å; L24-V28 HydrophobicContact CD1-CG2 4Å; L24-V28 HydrophobicContact CG-CG2 4.31Å; L24-V28 WeakPolarHBondContact O-CB 3.15Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.17Å; L24-V28 PolarHBondContact O-N 3.14Å
25F97.2Very high95.7Very high15 Ų1562.9 Ų62.97%0.06632%0.321CS..Hα-helixtrans-68.7-30.9-177-71.5-51.4000112.8L21 E22 S29 I154 S155 Y158L21-F25 HydrophobicContact CB-CD2 3.64Å; L21-F25 HydrophobicContact CB-CE2 3.45Å; L21-F25 VanDerWaalsContact CB-CE2 3.45Å; L21-F25 HydrophobicContact CB-CZ 4.42Å; L21-F25 HydrophobicContact CD1-CE2 3.71Å; L21-F25 HydrophobicContact CD1-CZ 4.14Å; L21-F25 HydrophobicContact CG-CE2 4.2Å; L21-F25 WeakPolarHBondContact O-CD2 3.41Å; L21-F25 PolarHBondContact O-N 3.4Å; E22-F25 PolarHBondContact O-N 3.28Å; F25-S29 VanDerWaalsContact O-CB 3.22Å; F25-S29 WeakPolarHBondContact O-CB 3.15Å; F25-S29 PolarHBondContact O-N 3.22Å; F25-I154 HydrophobicContact CE1-CB 4.29Å; F25-I154 HydrophobicContact CE1-CG2 3.66Å; F25-I154 HydrophobicContact CZ-CG2 3.67Å; F25-S155 WeakPolarHBondContact O-CB 3.48Å; F25-Y158 HydrophobicContact CB-CD1 3.92Å; F25-Y158 HydrophobicContact CB-CG 4.15Å; F25-Y158 AromaticContact CD2-CD1 3.73Å; F25-Y158 HydrophobicContact CD2-CD1 3.73Å; F25-Y158 AromaticContact CD2-CD2 3.33Å; F25-Y158 HydrophobicContact CD2-CD2 3.33Å; F25-Y158 HydrophobicContact CD2-CE1 4.16Å; F25-Y158 AromaticContact CD2-CE2 3.76Å; F25-Y158 HydrophobicContact CD2-CE2 3.76Å; F25-Y158 AromaticContact CD2-CG 3.31Å; F25-Y158 HydrophobicContact CD2-CG 3.31Å; F25-Y158 AromaticContact CE2-CD2 3.47Å; F25-Y158 HydrophobicContact CE2-CD2 3.47Å; F25-Y158 VanDerWaalsContact CE2-CD2 3.47Å; F25-Y158 AromaticContact CE2-CE2 3.95Å; F25-Y158 HydrophobicContact CE2-CE2 3.95Å; F25-Y158 AromaticContact CE2-CG 3.88Å; F25-Y158 HydrophobicContact CE2-CG 3.88Å; F25-Y158 HydrophobicContact CG-CD1 4.19Å; F25-Y158 HydrophobicContact CG-CD2 4.36Å; F25-Y158 AromaticContact CG-CG 3.93Å; F25-Y158 HydrophobicContact CG-CG 3.93Å
26T95.7Very high95.6Very high37 Ų3763.3 Ų63.323%0.22733%0.325CS..Hα-helixtrans-62.8-49.6171.6-59.20000110.8E22 L24 S29 H30 L101E22-T26 WeakPolarHBondContact O-CB 3.35Å; E22-T26 PolarHBondContact O-N 3.49Å; E22-T26 PolarHBondContact O-OG1 2.91Å; L24-T26 VanDerWaalsContact C-N 3.31Å; L24-T26 PolarHBondContact O-N 2.99Å; T26-S29 PolarHBondContact O-N 3.02Å; T26-H30 PolarHBondContact O-CD2 2.7Å; T26-H30 PolarHBondContact O-N 3.29Å; T26-L101 HydrophobicContact CG2-CD1 4.14Å
27V96.9Very high95.7Very high82 Ų8263.2 Ų63.250%0.49732%0.324SS..Hα-helixtrans-62.8-47177.1171.40000111.7P23 L24 S29 H30 I31P23-V27 WeakPolarHBondContact O-CG2 3.34Å; P23-V27 PolarHBondContact O-N 2.88Å; L24-V27 PolarHBondContact O-N 2.7Å; V27-S29 VanDerWaalsContact C-N 3.28Å; V27-S29 PolarHBondContact O-N 3.38Å; V27-H30 WeakPolarHBondContact O-CB 3.28Å; V27-H30 PolarHBondContact O-N 3.4Å; V27-H30 VanDerWaalsContact O-N 3.13Å; V27-I31 HydrophobicContact CG1-CD1 3.83Å; V27-I31 HydrophobicContact CG1-CG1 4.43Å; V27-I31 WeakPolarHBondContact O-CG1 3.17Å; V27-I31 PolarHBondContact O-N 3.29Å
28V97.2Very high95.7Very high18 Ų1858.4 Ų58.411%0.10930%0.298CS..Hα-helixtrans-60.1-40.7178169.30000110.8L24 I31 G32 L151 I152L24-V28 HydrophobicContact CD1-CG2 4Å; L24-V28 HydrophobicContact CG-CG2 4.31Å; L24-V28 WeakPolarHBondContact O-CB 3.15Å; L24-V28 VanDerWaalsContact O-CG2 3.26Å; L24-V28 WeakPolarHBondContact O-CG2 3.17Å; L24-V28 PolarHBondContact O-N 3.14Å; V28-I31 PolarHBondContact O-N 3.33Å; V28-G32 PolarHBondContact O-N 2.88Å; V28-L151 HydrophobicContact CG1-CB 4Å; V28-L151 WeakPolarHBondContact CG1-O 3.48Å; V28-I152 HydrophobicContact CG1-CG1 4.17Å
29S96.9Very high95.7Very high0 Ų053.6 Ų53.60%028%0.278CS..Hα-helixtrans-67-36.2176.5-172.80000112.4F25 T26 V27 G32 S33 H113 R156 L159F25-S29 VanDerWaalsContact O-CB 3.22Å; F25-S29 WeakPolarHBondContact O-CB 3.15Å; F25-S29 PolarHBondContact O-N 3.22Å; T26-S29 PolarHBondContact O-N 3.02Å; V27-S29 VanDerWaalsContact C-N 3.28Å; V27-S29 PolarHBondContact O-N 3.38Å; S29-G32 CarbonylContact O-C 3.58Å; S29-S33 PolarHBondContact O-N 2.92Å; S29-H113 PolarHBondContact O-CD2 3.09Å; S29-R156 WeakPolarHBondContact OG-CD 3.43Å; S29-R156 PolarHBondContact OG-NH1 3.03Å; S29-L159 VanDerWaalsContact CB-CD1 3.47Å
30H94.9Very high95.9Very high98 Ų9851.8 Ų51.845%0.45427%0.271SS..Hα-helixtrans-64.7-44.9172.8-79.1-63.1000111.7T26 V27 G32 S33 T36T26-H30 PolarHBondContact O-CD2 2.7Å; T26-H30 PolarHBondContact O-N 3.29Å; V27-H30 WeakPolarHBondContact O-CB 3.28Å; V27-H30 PolarHBondContact O-N 3.4Å; V27-H30 VanDerWaalsContact O-N 3.13Å; H30-G32 PolarHBondContact O-N 3.27Å; H30-S33 WeakPolarHBondContact O-CB 3.35Å; H30-S33 PolarHBondContact O-N 3.35Å; H30-S33 PolarHBondContact O-OG 2.93Å; H30-T36 PolarHBondContact O-OG1 3.12Å
31I94.9Very high95.9Very high104 Ų10443 Ų4353%0.53324%0.235SC..Hα-helixtrans-61.7-44.4176.7-67169.5000110.4V27 V28 S33 T36V27-I31 HydrophobicContact CG1-CD1 3.83Å; V27-I31 HydrophobicContact CG1-CG1 4.43Å; V27-I31 WeakPolarHBondContact O-CG1 3.17Å; V27-I31 PolarHBondContact O-N 3.29Å; V28-I31 PolarHBondContact O-N 3.33Å; I31-S33 PolarHBondContact O-N 3.01Å; I31-S33 VanDerWaalsContact O-N 3.14Å; I31-T36 WeakPolarHBondContact O-CB 3.36Å; I31-T36 VanDerWaalsContact O-CG2 3.26Å; I31-T36 WeakPolarHBondContact O-CG2 3.33Å; I31-T36 PolarHBondContact O-OG1 2.67Å
32G95.3Very high96.1Very high1 Ų139.9 Ų39.91%0.0122%0.218CC..THydrogen-bonded Turntrans-77.416.6176.900000115.3V28 S29 H30 H113 S117V28-G32 PolarHBondContact O-N 2.88Å; S29-G32 CarbonylContact O-C 3.58Å; H30-G32 PolarHBondContact O-N 3.27Å; G32-H113 WeakPolarHBondContact O-CA 3.03Å; G32-H113 WeakPolarHBondContact O-CB 3.41Å; G32-H113 PolarHBondContact O-CD2 3.32Å; G32-H113 VanDerWaalsContact O-CD2 3.3Å; G32-S117 VanDerWaalsContact C-OG 3.26Å; G32-S117 WeakPolarHBondContact CA-OG 3.26Å; G32-S117 PolarHBondContact O-OG 2.98Å
33S95Very high96.2Very high19 Ų1936 Ų3613%0.13320%0.2CC..SBendtrans-81.1149.917974.50000112.1S29 H30 I31 N35 T36 A37 H113S29-S33 PolarHBondContact O-N 2.92Å; H30-S33 WeakPolarHBondContact O-CB 3.35Å; H30-S33 PolarHBondContact O-N 3.35Å; H30-S33 PolarHBondContact O-OG 2.93Å; I31-S33 PolarHBondContact O-N 3.01Å; I31-S33 VanDerWaalsContact O-N 3.14Å; S33-N35 PolarHBondContact O-N 3.46Å; S33-N35 VanDerWaalsContact O-N 3.16Å; S33-T36 WeakPolarHBondContact O-CB 3.26Å; S33-T36 PolarHBondContact O-N 2.97Å; S33-T36 PolarHBondContact OG-N 3.07Å; S33-T36 PolarHBondContact OG-OG1 3.01Å; S33-A37 PolarHBondContact O-N 3.44Å; S33-H113 VanDerWaalsContact CA-CD2 3.47Å; S33-H113 WeakPolarHBondContact CA-CD2 3.34Å
34P95.4Very high96.1Very high17 Ų1733.3 Ų33.311%0.1118%0.183CC..Hα-helixtrans-54-33.1171-27.936.1000112.8T36 A37 Y38 V116P34-T36 VanDerWaalsContact C-N 3.32Å; P34-T36 PolarHBondContact O-N 2.83Å; P34-A37 WeakPolarHBondContact O-CB 3.23Å; P34-A37 PolarHBondContact O-N 3.2Å; P34-A37 VanDerWaalsContact O-N 3.12Å; P34-Y38 HydrophobicContact CB-CE2 4.48Å; P34-Y38 WeakPolarHBondContact O-CD2 3.48Å; P34-Y38 PolarHBondContact O-N 3.26Å; P34-V116 HydrophobicContact CB-CB 4.31Å; P34-V116 HydrophobicContact CB-CG1 4.07Å; P34-V116 HydrophobicContact CB-CG2 4.43Å; P34-V116 HydrophobicContact CG-CB 4.25Å; P34-V116 HydrophobicContact CG-CG2 4.27Å
35N94.2Very high96Very high55 Ų5529.2 Ų29.229%0.29416%0.162SC..Hα-helixtrans-59.4-42.4176.6-170.6-40.3000111.2S33 A37 Y38 S39 R312S33-N35 PolarHBondContact O-N 3.46Å; S33-N35 VanDerWaalsContact O-N 3.16Å; N35-A37 VanDerWaalsContact C-N 3.28Å; N35-A37 PolarHBondContact O-N 3.42Å; N35-Y38 PolarHBondContact O-N 2.94Å; N35-S39 WeakPolarHBondContact O-CB 3.27Å; N35-S39 PolarHBondContact O-N 2.98Å; N35-S39 PolarHBondContact O-OG 3.26Å; N35-S39 PolarHBondContact OD1-OG 3.04Å; N35-R312 PolarHBondContact ND2-NH1 3.02Å; N35-R312 PolarHBondContact OD1-NH1 3.11Å; N35-R312 PolarHBondContact OD1-NH2 3.14Å
36T95.8Very high95.8Very high21 Ų2128.5 Ų28.513%0.12916%0.159CC..Hα-helixtrans-61.6-36.5176.3-51.80000112.2H30 I31 S33 P34 Y38 L40 T41H30-T36 PolarHBondContact O-OG1 3.12Å; I31-T36 WeakPolarHBondContact O-CB 3.36Å; I31-T36 VanDerWaalsContact O-CG2 3.26Å; I31-T36 WeakPolarHBondContact O-CG2 3.33Å; I31-T36 PolarHBondContact O-OG1 2.67Å; S33-T36 WeakPolarHBondContact O-CB 3.26Å; S33-T36 PolarHBondContact O-N 2.97Å; S33-T36 PolarHBondContact OG-N 3.07Å; S33-T36 PolarHBondContact OG-OG1 3.01Å; P34-T36 VanDerWaalsContact C-N 3.32Å; P34-T36 PolarHBondContact O-N 2.83Å; T36-Y38 VanDerWaalsContact C-N 3.34Å; T36-Y38 PolarHBondContact O-N 2.98Å; T36-L40 HydrophobicContact CG2-CB 4.05Å; T36-L40 HydrophobicContact CG2-CD2 4.11Å; T36-L40 WeakPolarHBondContact O-CA 3.36Å; T36-L40 WeakPolarHBondContact O-CB 3.03Å; T36-L40 PolarHBondContact O-N 2.86Å; T36-T41 PolarHBondContact O-N 3.25Å; T36-T41 PolarHBondContact O-OG1 3.08Å
37A97.1Very high95.7Very high2 Ų227 Ų272%0.01715%0.149CC..Iπ-helixtrans-60-44.2176.300000111.9S33 P34 N35 F42 A60 V116S33-A37 PolarHBondContact O-N 3.44Å; P34-A37 WeakPolarHBondContact O-CB 3.23Å; P34-A37 PolarHBondContact O-N 3.2Å; P34-A37 VanDerWaalsContact O-N 3.12Å; N35-A37 VanDerWaalsContact C-N 3.28Å; N35-A37 PolarHBondContact O-N 3.42Å; A37-F42 WeakPolarHBondContact O-CB 3.28Å; A37-F42 PolarHBondContact O-N 3.38Å; A37-A60 HydrophobicContact CB-CB 4.25Å; A37-V116 HydrophobicContact CB-CG1 3.87Å
38Y97.2Very high95.4Very high13 Ų1326 Ų265%0.05114%0.14CC..Iπ-helixtrans-78.3-39.5178.6-63.1-72.4000113.6P34 N35 T36 I57 A60 A61 D64 T272 C353P34-Y38 HydrophobicContact CB-CE2 4.48Å; P34-Y38 WeakPolarHBondContact O-CD2 3.48Å; P34-Y38 PolarHBondContact O-N 3.26Å; N35-Y38 PolarHBondContact O-N 2.94Å; T36-Y38 VanDerWaalsContact C-N 3.34Å; T36-Y38 PolarHBondContact O-N 2.98Å; Y38-I57 HydrophobicContact CD1-CD1 4.28Å; Y38-I57 HydrophobicContact CD1-CG1 3.88Å; Y38-I57 HydrophobicContact CE1-CG1 4.2Å; Y38-A60 HydrophobicContact CE1-CB 4.17Å; Y38-A61 HydrophobicContact CE1-CB 4.46Å; Y38-A61 WeakPolarHBondContact OH-CA 3.33Å; Y38-D64 WeakPolarHBondContact OH-CB 3.31Å; Y38-D64 PolarHBondContact OH-OD2 3.25Å; Y38-D64 VanDerWaalsContact OH-OD2 3.14Å; Y38-T272 HydrophobicContact CD1-CG2 3.84Å; Y38-T272 HydrophobicContact CE1-CG2 3.85Å; Y38-C353 PolarHBondContact O-SG 3Å
39S95.2Very high94.9Very high5 Ų526.2 Ų26.24%0.03514%0.141CC..Iπ-helixtrans-90.5-20.1-171.3620000115N35 R312N35-S39 WeakPolarHBondContact O-CB 3.27Å; N35-S39 PolarHBondContact O-N 2.98Å; N35-S39 PolarHBondContact O-OG 3.26Å; N35-S39 PolarHBondContact OD1-OG 3.04Å; S39-R312 PolarHBondContact OG-NH2 3.16Å
40L96.3Very high94.5Very high76 Ų7626.5 Ų26.540%0.39814%0.142SC..Iπ-helixtrans-132.3-49.8-176-177.563.1000113.3T36 P43 S44 V308T36-L40 HydrophobicContact CG2-CB 4.05Å; T36-L40 HydrophobicContact CG2-CD2 4.11Å; T36-L40 WeakPolarHBondContact O-CA 3.36Å; T36-L40 WeakPolarHBondContact O-CB 3.03Å; T36-L40 PolarHBondContact O-N 2.86Å; L40-P43 WeakPolarHBondContact O-CD 3.5Å; L40-S44 VanDerWaalsContact O-CB 3.27Å; L40-S44 WeakPolarHBondContact O-CB 3.22Å; L40-S44 PolarHBondContact O-N 3.27Å; L40-S44 VanDerWaalsContact O-N 3.08Å; L40-S44 PolarHBondContact O-OG 2.76Å; L40-V308 HydrophobicContact CD1-CG2 4.04Å
41T97Very high94.2Very high19 Ų1922 Ų2212%0.11712%0.122CC..Iπ-helixtrans-65.2-47.1-176.9-51.30000111.4T36 S44 A45 T56 L121 I124T36-T41 PolarHBondContact O-N 3.25Å; T36-T41 PolarHBondContact O-OG1 3.08Å; T41-S44 PolarHBondContact O-N 3.32Å; T41-A45 WeakPolarHBondContact O-CB 3.33Å; T41-A45 PolarHBondContact O-N 3.07Å; T41-T56 HydrophobicContact CG2-CG2 3.97Å; T41-L121 HydrophobicContact CG2-CD2 3.77Å; T41-L121 HydrophobicContact CG2-CG 4.35Å; T41-I124 HydrophobicContact CG2-CD1 3.52Å
42F97.3Very high94Very high0 Ų017.5 Ų17.50%010%0.099CC..Hα-helixtrans-59-54.4175.9155.4-111000113.1A37 S44 A45 Y46 G53 I54 T56 I57 L276 P354 T357 V358A37-F42 WeakPolarHBondContact O-CB 3.28Å; A37-F42 PolarHBondContact O-N 3.38Å; F42-S44 VanDerWaalsContact C-N 3.27Å; F42-S44 PolarHBondContact O-N 2.91Å; F42-A45 WeakPolarHBondContact O-CB 3.35Å; F42-A45 PolarHBondContact O-N 2.9Å; F42-Y46 HydrophobicContact CE2-CD2 4.05Å; F42-Y46 HydrophobicContact CE2-CG 4.17Å; F42-Y46 HydrophobicContact CZ-CD2 4.43Å; F42-Y46 HydrophobicContact CZ-CG 4.35Å; F42-Y46 WeakPolarHBondContact O-CB 3.25Å; F42-Y46 PolarHBondContact O-N 2.97Å; F42-G53 VanDerWaalsContact CD2-O 3.26Å; F42-G53 WeakPolarHBondContact CD2-O 3.37Å; F42-I54 HydrophobicContact CE2-CD1 4.27Å; F42-T56 HydrophobicContact CB-CG2 4.5Å; F42-I57 HydrophobicContact CB-CB 4.04Å; F42-I57 HydrophobicContact CB-CD1 4.38Å; F42-I57 HydrophobicContact CB-CG1 4.31Å; F42-I57 HydrophobicContact CD1-CD1 3.72Å; F42-I57 HydrophobicContact CD2-CB 3.53Å; F42-I57 HydrophobicContact CD2-CD1 4.04Å; F42-I57 HydrophobicContact CD2-CG1 4.27Å; F42-I57 HydrophobicContact CD2-CG2 3.84Å; F42-I57 HydrophobicContact CE1-CD1 3.99Å; F42-I57 HydrophobicContact CE2-CB 4.12Å; F42-I57 HydrophobicContact CE2-CD1 4.24Å; F42-I57 HydrophobicContact CE2-CG2 3.93Å; F42-I57 HydrophobicContact CG-CB 3.8Å; F42-I57 HydrophobicContact CG-CD1 3.75Å; F42-I57 HydrophobicContact CG-CG1 4.09Å; F42-I57 HydrophobicContact CZ-CD1 4.22Å; F42-L276 HydrophobicContact CZ-CD1 4.19Å; F42-P354 HydrophobicContact CE1-CB 4.4Å; F42-T357 HydrophobicContact CD1-CG2 4.37Å; F42-T357 HydrophobicContact CE1-CG2 3.58Å; F42-T357 HydrophobicContact CZ-CG2 3.8Å; F42-V358 HydrophobicContact CZ-CG2 4.03Å
43P96.9Very high93.9Very high0 Ų017.4 Ų17.40%010%0.098CC..Hα-helixtrans-61-37.8-179.8-2636.8000112.9L40 Y46 Y47 L304 V307 T357L40-P43 WeakPolarHBondContact O-CD 3.5Å; P43-Y46 PolarHBondContact O-N 3.24Å; P43-Y47 PolarHBondContact O-N 2.93Å; P43-L304 VanDerWaalsContact C-CD2 3.4Å; P43-L304 HydrophobicContact CB-CD2 3.66Å; P43-V307 HydrophobicContact CB-CG1 4.01Å; P43-V307 HydrophobicContact CG-CG1 3.84Å; P43-T357 HydrophobicContact CB-CG2 3.73Å; P43-T357 HydrophobicContact CG-CG2 4.06Å; P43-T357 WeakPolarHBondContact CG-OG1 3.43Å
44S95.1Very high93.8Very high31 Ų3116.5 Ų16.522%0.2179%0.092CC..Hα-helixtrans-59.8-48.4176-58.20000111.3L40 T41 F42 I48L40-S44 VanDerWaalsContact O-CB 3.27Å; L40-S44 WeakPolarHBondContact O-CB 3.22Å; L40-S44 PolarHBondContact O-N 3.27Å; L40-S44 VanDerWaalsContact O-N 3.08Å; L40-S44 PolarHBondContact O-OG 2.76Å; T41-S44 PolarHBondContact O-N 3.32Å; F42-S44 VanDerWaalsContact C-N 3.27Å; F42-S44 PolarHBondContact O-N 2.91Å; S44-I48 WeakPolarHBondContact O-CD1 3.26Å; S44-I48 VanDerWaalsContact O-CG1 3.31Å; S44-I48 WeakPolarHBondContact O-CG1 3.47Å; S44-I48 PolarHBondContact O-N 3.48Å
45A94.1Very high93.6Very high0 Ų016.3 Ų16.30%09%0.091CC..Hα-helixtrans-62.1-42.3175.200000112.4T41 F42 I48 D49 L52 T56 I124T41-A45 WeakPolarHBondContact O-CB 3.33Å; T41-A45 PolarHBondContact O-N 3.07Å; F42-A45 WeakPolarHBondContact O-CB 3.35Å; F42-A45 PolarHBondContact O-N 2.9Å; A45-I48 PolarHBondContact O-N 3.3Å; A45-D49 PolarHBondContact O-N 3.44Å; A45-L52 HydrophobicContact CB-CD2 4.29Å; A45-L52 HydrophobicContact CB-CG 3.97Å; A45-T56 HydrophobicContact CB-CG2 4.27Å; A45-T56 WeakPolarHBondContact CB-OG1 3.47Å; A45-I124 HydrophobicContact CB-CD1 3.88Å; A45-I124 HydrophobicContact CB-CG1 4.12Å
46Y93.9Very high93.6Very high0 Ų013.7 Ų13.70%08%0.077CC..Hα-helixtrans-66.2-39.4-175.4-172.6-102.4000113.5F42 P43 I48 D49 P50 I54 T285 V291 T357 V358F42-Y46 HydrophobicContact CE2-CD2 4.05Å; F42-Y46 HydrophobicContact CE2-CG 4.17Å; F42-Y46 HydrophobicContact CZ-CD2 4.43Å; F42-Y46 HydrophobicContact CZ-CG 4.35Å; F42-Y46 WeakPolarHBondContact O-CB 3.25Å; F42-Y46 PolarHBondContact O-N 2.97Å; P43-Y46 PolarHBondContact O-N 3.24Å; Y46-I48 VanDerWaalsContact C-N 3.31Å; Y46-D49 CarbonylContact O-C 3.59Å; Y46-D49 VanDerWaalsContact O-C 3.31Å; Y46-P50 HydrophobicContact CD2-CB 4.3Å; Y46-P50 HydrophobicContact CE2-CB 3.82Å; Y46-I54 HydrophobicContact CD2-CD1 3.97Å; Y46-I54 HydrophobicContact CE2-CD1 3.8Å; Y46-I54 HydrophobicContact CE2-CG1 4.34Å; Y46-T285 WeakPolarHBondContact OH-CG2 3.27Å; Y46-T285 PolarHBondContact OH-OG1 2.97Å; Y46-V291 HydrophobicContact CE1-CB 4.49Å; Y46-V291 HydrophobicContact CE1-CG1 3.95Å; Y46-V291 HydrophobicContact CE1-CG2 4.01Å; Y46-T357 HydrophobicContact CD1-CG2 3.74Å; Y46-T357 HydrophobicContact CE1-CG2 4.49Å; Y46-T357 HydrophobicContact CG-CG2 4.16Å; Y46-V358 HydrophobicContact CE1-CB 4.4Å; Y46-V358 HydrophobicContact CE1-CG2 3.98Å; Y46-V358 HydrophobicContact CE2-CG2 4.04Å
47Y93Very high93.6Very high5 Ų512.8 Ų12.82%0.027%0.071CC..Hα-helixtrans-76.7-16.6176.6-65.5-27.6000114.1P43 L292 L304 V307 T357 V361 P362P43-Y47 PolarHBondContact O-N 2.93Å; Y47-L292 HydrophobicContact CD1-CD1 4.17Å; Y47-L292 HydrophobicContact CD1-CD2 4.21Å; Y47-L292 HydrophobicContact CD1-CG 4.18Å; Y47-L292 HydrophobicContact CD2-CD1 4.37Å; Y47-L292 HydrophobicContact CE1-CD2 4.11Å; Y47-L292 HydrophobicContact CG-CD1 3.98Å; Y47-L292 HydrophobicContact CG-CG 4.5Å; Y47-L304 HydrophobicContact CD2-CD2 3.66Å; Y47-L304 HydrophobicContact CD2-CG 4.02Å; Y47-L304 HydrophobicContact CE2-CD2 4.01Å; Y47-L304 HydrophobicContact CE2-CG 4.48Å; Y47-V307 HydrophobicContact CE2-CG2 3.89Å; Y47-V307 WeakPolarHBondContact OH-CG2 3.31Å; Y47-T357 HydrophobicContact CE1-CG2 4.26Å; Y47-T357 WeakPolarHBondContact CE1-O 3.37Å; Y47-T357 PolarHBondContact OH-O 3.41Å; Y47-V361 WeakPolarHBondContact OH-CB 2.85Å; Y47-V361 VanDerWaalsContact OH-CG1 3.28Å; Y47-V361 WeakPolarHBondContact OH-CG1 3.49Å; Y47-P362 HydrophobicContact CE1-CG 3.98Å
48I89.7Confident93.5Very high62 Ų6213.8 Ų13.832%0.3188%0.076SC..Hα-helixtrans-76.8-51.8167.5-65.8162.6000109.9S44 A45 Y46 L52 Y127 F128S44-I48 WeakPolarHBondContact O-CD1 3.26Å; S44-I48 VanDerWaalsContact O-CG1 3.31Å; S44-I48 WeakPolarHBondContact O-CG1 3.47Å; S44-I48 PolarHBondContact O-N 3.48Å; A45-I48 PolarHBondContact O-N 3.3Å; Y46-I48 VanDerWaalsContact C-N 3.31Å; I48-L52 HydrophobicContact CG2-CD2 4.4Å; I48-Y127 HydrophobicContact CG2-CE1 4.11Å; I48-F128 HydrophobicContact CD1-CE2 4.47Å; I48-F128 HydrophobicContact CD1-CZ 4.08Å
49D87.2Confident93.4Very high22 Ų2213.2 Ų13.212%0.1187%0.073CC..  trans-154.4125.5179.5-179.8-68.2000109.4A45 Y46 T51 L52 G53 Y127A45-D49 PolarHBondContact O-N 3.44Å; Y46-D49 CarbonylContact O-C 3.59Å; Y46-D49 VanDerWaalsContact O-C 3.31Å; D49-T51 VanDerWaalsContact C-N 3.27Å; D49-T51 PolarHBondContact O-N 3.41Å; D49-T51 WeakPolarHBondContact OD1-CA 3.17Å; D49-T51 VanDerWaalsContact OD1-CB 3.23Å; D49-T51 WeakPolarHBondContact OD1-CB 3.33Å; D49-T51 PolarHBondContact OD1-N 3.33Å; D49-L52 HydrophobicContact CB-CB 3.83Å; D49-L52 WeakPolarHBondContact O-CB 3.38Å; D49-L52 PolarHBondContact O-N 2.71Å; D49-L52 PolarHBondContact OD1-N 2.89Å; D49-G53 PolarHBondContact O-N 2.85Å; D49-Y127 HydrophobicContact CB-CE2 4.13Å
50P89.3Confident93.6Very high6 Ų613 Ų134%0.0397%0.072CC..Hα-helixtrans-58-40-177.3-30.338.9000113.2Y46 G53 I54 V291Y46-P50 HydrophobicContact CD2-CB 4.3Å; Y46-P50 HydrophobicContact CE2-CB 3.82Å; P50-G53 PolarHBondContact O-N 3.1Å; P50-I54 VanDerWaalsContact O-CG1 3.31Å; P50-I54 WeakPolarHBondContact O-CG1 3.43Å; P50-I54 PolarHBondContact O-N 3.2Å; P50-V291 HydrophobicContact CB-CG2 4.37Å; P50-V291 HydrophobicContact CG-CG2 3.37Å
51T88.3Confident93.6Very high4 Ų410.1 Ų10.13%0.0256%0.059CC..Hα-helixtrans-66.1-41.4178.3-53.20000110.3D49 G53 I54 T55 T203 V204D49-T51 VanDerWaalsContact C-N 3.27Å; D49-T51 PolarHBondContact O-N 3.41Å; D49-T51 WeakPolarHBondContact OD1-CA 3.17Å; D49-T51 VanDerWaalsContact OD1-CB 3.23Å; D49-T51 WeakPolarHBondContact OD1-CB 3.33Å; D49-T51 PolarHBondContact OD1-N 3.33Å; T51-G53 VanDerWaalsContact C-N 3.35Å; T51-G53 PolarHBondContact O-N 2.96Å; T51-I54 PolarHBondContact O-N 3.12Å; T51-T55 WeakPolarHBondContact O-CB 3.16Å; T51-T55 PolarHBondContact O-N 2.96Å; T51-T55 PolarHBondContact O-OG1 3.42Å; T51-T203 HydrophobicContact CG2-CG2 3.94Å; T51-V204 HydrophobicContact CG2-CG2 4.3Å
52L89.7Confident93.6Very high9 Ų912.3 Ų12.35%0.0477%0.07CC..Hα-helixtrans-59.5-44.6173.6-176.861.6000111.9A45 I48 D49 T55 T56 P123 I124 Y127A45-L52 HydrophobicContact CB-CD2 4.29Å; A45-L52 HydrophobicContact CB-CG 3.97Å; I48-L52 HydrophobicContact CG2-CD2 4.4Å; D49-L52 HydrophobicContact CB-CB 3.83Å; D49-L52 WeakPolarHBondContact O-CB 3.38Å; D49-L52 PolarHBondContact O-N 2.71Å; D49-L52 PolarHBondContact OD1-N 2.89Å; L52-T55 PolarHBondContact O-N 2.92Å; L52-T56 VanDerWaalsContact O-CB 3.28Å; L52-T56 WeakPolarHBondContact O-CB 3.2Å; L52-T56 PolarHBondContact O-N 3.46Å; L52-T56 PolarHBondContact O-OG1 3.32Å; L52-P123 HydrophobicContact CD1-CB 4.15Å; L52-P123 WeakPolarHBondContact CD1-O 3.36Å; L52-I124 HydrophobicContact CD1-CG1 4.31Å; L52-I124 HydrophobicContact CD2-CG1 4.44Å; L52-I124 HydrophobicContact CG-CG1 4.43Å; L52-Y127 HydrophobicContact CB-CD2 4.3Å; L52-Y127 HydrophobicContact CB-CE2 4.38Å; L52-Y127 HydrophobicContact CD1-CD2 3.97Å; L52-Y127 HydrophobicContact CD1-CG 4.03Å; L52-Y127 HydrophobicContact CD2-CD1 3.9Å; L52-Y127 HydrophobicContact CD2-CD2 3.89Å; L52-Y127 HydrophobicContact CD2-CE1 4.22Å; L52-Y127 HydrophobicContact CD2-CE2 4.16Å; L52-Y127 HydrophobicContact CD2-CG 3.74Å; L52-Y127 HydrophobicContact CG-CD2 4.26Å; L52-Y127 HydrophobicContact CG-CG 4.42Å
53G93Very high93.6Very high0 Ų012.3 Ų12.30%07%0.07CC..Hα-helixtrans-59.4-51.8175.200000112.7F42 D49 P50 T51 T55 T56 I57F42-G53 VanDerWaalsContact CD2-O 3.26Å; F42-G53 WeakPolarHBondContact CD2-O 3.37Å; D49-G53 PolarHBondContact O-N 2.85Å; P50-G53 PolarHBondContact O-N 3.1Å; T51-G53 VanDerWaalsContact C-N 3.35Å; T51-G53 PolarHBondContact O-N 2.96Å; G53-T55 VanDerWaalsContact C-N 3.35Å; G53-T55 PolarHBondContact O-N 2.8Å; G53-T56 WeakPolarHBondContact O-CB 3.37Å; G53-T56 PolarHBondContact O-N 2.93Å; G53-T56 VanDerWaalsContact O-N 3.13Å; G53-I57 PolarHBondContact O-N 2.9Å
54I92.9Very high93.7Very high0 Ų013 Ų130%07%0.074CC..Hα-helixtrans-62.3-43.1179.3-59.4-38.6000111.1F42 Y46 P50 T51 T56 I57 L58 T203 L207 L276F42-I54 HydrophobicContact CE2-CD1 4.27Å; Y46-I54 HydrophobicContact CD2-CD1 3.97Å; Y46-I54 HydrophobicContact CE2-CD1 3.8Å; Y46-I54 HydrophobicContact CE2-CG1 4.34Å; P50-I54 VanDerWaalsContact O-CG1 3.31Å; P50-I54 WeakPolarHBondContact O-CG1 3.43Å; P50-I54 PolarHBondContact O-N 3.2Å; T51-I54 PolarHBondContact O-N 3.12Å; I54-T56 VanDerWaalsContact C-N 3.3Å; I54-T56 PolarHBondContact O-N 2.86Å; I54-I57 WeakPolarHBondContact O-CG2 3.48Å; I54-I57 PolarHBondContact O-N 2.84Å; I54-L58 HydrophobicContact CG2-CD1 3.69Å; I54-L58 HydrophobicContact CG2-CG 4.09Å; I54-L58 WeakPolarHBondContact O-CB 3.32Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 3.38Å; I54-T203 HydrophobicContact CB-CG2 3.82Å; I54-T203 HydrophobicContact CG2-CG2 3.68Å; I54-L207 HydrophobicContact CB-CG 4.5Å; I54-L207 HydrophobicContact CD1-CD2 4.31Å; I54-L207 HydrophobicContact CG1-CD1 4.38Å; I54-L207 HydrophobicContact CG1-CD2 3.45Å; I54-L207 VanDerWaalsContact CG1-CD2 3.45Å; I54-L207 HydrophobicContact CG1-CG 3.88Å; I54-L276 HydrophobicContact CD1-CD1 3.42Å; I54-L276 VanDerWaalsContact CD1-CD1 3.42Å; I54-L276 HydrophobicContact CD1-CD2 4.11Å; I54-L276 HydrophobicContact CD1-CG 4.24Å; I54-L276 HydrophobicContact CG2-CD2 4.47Å
55T92Very high93.8Very high13 Ų1313.9 Ų13.98%0.087%0.072CC..Hα-helixtrans-58.5-44174.4-62.20000111.2T51 L52 G53 C59 P123 F181 T203T51-T55 WeakPolarHBondContact O-CB 3.16Å; T51-T55 PolarHBondContact O-N 2.96Å; T51-T55 PolarHBondContact O-OG1 3.42Å; L52-T55 PolarHBondContact O-N 2.92Å; G53-T55 VanDerWaalsContact C-N 3.35Å; G53-T55 PolarHBondContact O-N 2.8Å; T55-C59 WeakPolarHBondContact O-CB 3.39Å; T55-C59 PolarHBondContact O-N 3.32Å; T55-P123 HydrophobicContact CG2-CB 3.86Å; T55-P123 HydrophobicContact CG2-CG 3.92Å; T55-F181 HydrophobicContact CG2-CB 3.95Å; T55-F181 HydrophobicContact CG2-CD1 3.92Å; T55-F181 HydrophobicContact CG2-CG 4.32Å; T55-T203 WeakPolarHBondContact OG1-CG2 3.5Å; T55-T203 PolarHBondContact OG1-OG1 2.89Å
56T94.7Very high94Very high0 Ų016.4 Ų16.40%09%0.086CC..Hα-helixtrans-60.3-49.2179.9-640000112T41 F42 A45 L52 G53 I54 C59 A60 S120 I124T41-T56 HydrophobicContact CG2-CG2 3.97Å; F42-T56 HydrophobicContact CB-CG2 4.5Å; A45-T56 HydrophobicContact CB-CG2 4.27Å; A45-T56 WeakPolarHBondContact CB-OG1 3.47Å; L52-T56 VanDerWaalsContact O-CB 3.28Å; L52-T56 WeakPolarHBondContact O-CB 3.2Å; L52-T56 PolarHBondContact O-N 3.46Å; L52-T56 PolarHBondContact O-OG1 3.32Å; G53-T56 WeakPolarHBondContact O-CB 3.37Å; G53-T56 PolarHBondContact O-N 2.93Å; G53-T56 VanDerWaalsContact O-N 3.13Å; I54-T56 VanDerWaalsContact C-N 3.3Å; I54-T56 PolarHBondContact O-N 2.86Å; T56-C59 PolarHBondContact O-N 3.05Å; T56-A60 WeakPolarHBondContact O-CB 3.14Å; T56-A60 PolarHBondContact O-N 3.13Å; T56-S120 WeakPolarHBondContact CG2-O 3.46Å; T56-I124 HydrophobicContact CG2-CD1 4.31Å
57I96.4Very high94.2Very high1 Ų116.6 Ų16.61%0.0059%0.086CC..Hα-helixtrans-72.5-35.9-177.8-161.8173.9000112.7Y38 F42 G53 I54 C59 A60 A61 T272 L276 P354Y38-I57 HydrophobicContact CD1-CD1 4.28Å; Y38-I57 HydrophobicContact CD1-CG1 3.88Å; Y38-I57 HydrophobicContact CE1-CG1 4.2Å; F42-I57 HydrophobicContact CB-CB 4.04Å; F42-I57 HydrophobicContact CB-CD1 4.38Å; F42-I57 HydrophobicContact CB-CG1 4.31Å; F42-I57 HydrophobicContact CD1-CD1 3.72Å; F42-I57 HydrophobicContact CD2-CB 3.53Å; F42-I57 HydrophobicContact CD2-CD1 4.04Å; F42-I57 HydrophobicContact CD2-CG1 4.27Å; F42-I57 HydrophobicContact CD2-CG2 3.84Å; F42-I57 HydrophobicContact CE1-CD1 3.99Å; F42-I57 HydrophobicContact CE2-CB 4.12Å; F42-I57 HydrophobicContact CE2-CD1 4.24Å; F42-I57 HydrophobicContact CE2-CG2 3.93Å; F42-I57 HydrophobicContact CG-CB 3.8Å; F42-I57 HydrophobicContact CG-CD1 3.75Å; F42-I57 HydrophobicContact CG-CG1 4.09Å; F42-I57 HydrophobicContact CZ-CD1 4.22Å; G53-I57 PolarHBondContact O-N 2.9Å; I54-I57 WeakPolarHBondContact O-CG2 3.48Å; I54-I57 PolarHBondContact O-N 2.84Å; I57-C59 VanDerWaalsContact C-N 3.32Å; I57-A60 PolarHBondContact O-N 3.43Å; I57-A61 VanDerWaalsContact O-CB 3.28Å; I57-A61 WeakPolarHBondContact O-CB 3.43Å; I57-A61 PolarHBondContact O-N 3.1Å; I57-T272 HydrophobicContact CD1-CG2 3.42Å; I57-T272 VanDerWaalsContact CD1-CG2 3.42Å; I57-T272 HydrophobicContact CG1-CG2 3.81Å; I57-L276 HydrophobicContact CG2-CD2 3.9Å; I57-P354 HydrophobicContact CD1-CB 4.26Å; I57-P354 HydrophobicContact CD1-CG 3.75Å
58L95.1Very high94.4Very high24 Ų2416.6 Ų16.613%0.1269%0.088CC..Hα-helixtrans-66.8-37.4174.5-69.1178000111.5I54 A61 L62 F181 L206 L213I54-L58 HydrophobicContact CG2-CD1 3.69Å; I54-L58 HydrophobicContact CG2-CG 4.09Å; I54-L58 WeakPolarHBondContact O-CB 3.32Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 3.38Å; L58-A61 PolarHBondContact O-N 3.43Å; L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 PolarHBondContact O-N 2.71Å; L58-F181 HydrophobicContact CB-CE1 3.88Å; L58-F181 HydrophobicContact CB-CZ 4.08Å; L58-L206 HydrophobicContact CD1-CD1 3.54Å; L58-L213 HydrophobicContact CD2-CD2 3.89Å
59C95.1Very high94.8Very high0 Ų014.4 Ų14.40%08%0.077CC..Hα-helixtrans-66-43.9175.1-163.60000111.3T55 T56 I57 L62 A63 A119 P123 F181T55-C59 WeakPolarHBondContact O-CB 3.39Å; T55-C59 PolarHBondContact O-N 3.32Å; T56-C59 PolarHBondContact O-N 3.05Å; I57-C59 VanDerWaalsContact C-N 3.32Å; C59-L62 PolarHBondContact O-N 2.96Å; C59-A63 VanDerWaalsContact O-CB 3.27Å; C59-A63 WeakPolarHBondContact O-CB 3.38Å; C59-A63 PolarHBondContact O-N 3.37Å; C59-A119 PolarHBondContact SG-O 3.03Å; C59-P123 HydrophobicContact CB-CG 4.22Å; C59-F181 HydrophobicContact CB-CD2 3.84Å; C59-F181 HydrophobicContact CB-CE2 4.09Å; C59-F181 HydrophobicContact CB-CG 4.05Å; C59-F181 VanDerWaalsContact SG-CD2 3.57Å
60A97.6Very high95.3Very high0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-59.1-47.9172.900000111.8A37 Y38 T56 I57 A63 D64 V116A37-A60 HydrophobicContact CB-CB 4.25Å; Y38-A60 HydrophobicContact CE1-CB 4.17Å; T56-A60 WeakPolarHBondContact O-CB 3.14Å; T56-A60 PolarHBondContact O-N 3.13Å; I57-A60 PolarHBondContact O-N 3.43Å; A60-A63 PolarHBondContact O-N 2.96Å; A60-D64 WeakPolarHBondContact O-CB 3.49Å; A60-D64 PolarHBondContact O-N 3.02Å; A60-V116 HydrophobicContact CB-CG1 4.13Å
61A97.3Very high95.7Very high16 Ų1616.5 Ų16.513%0.1329%0.086CC..Hα-helixtrans-62.6-44.3179.900000112.6Y38 I57 L58 D64 W65 I269Y38-A61 HydrophobicContact CE1-CB 4.46Å; Y38-A61 WeakPolarHBondContact OH-CA 3.33Å; I57-A61 VanDerWaalsContact O-CB 3.28Å; I57-A61 WeakPolarHBondContact O-CB 3.43Å; I57-A61 PolarHBondContact O-N 3.1Å; L58-A61 PolarHBondContact O-N 3.43Å; A61-D64 PolarHBondContact O-N 2.9Å; A61-W65 VanDerWaalsContact O-CB 3.26Å; A61-W65 WeakPolarHBondContact O-CB 3.42Å; A61-W65 PolarHBondContact O-N 3.1Å; A61-I269 HydrophobicContact CB-CG2 4.21Å
62L96.2Very high96Very high65 Ų6516.5 Ų16.534%0.349%0.086SC..Hα-helixtrans-65.2-41.4176.3-176.262.9000111.3L58 C59 W65 L66 V177 F181L58-L62 WeakPolarHBondContact O-CB 3.38Å; L58-L62 PolarHBondContact O-N 2.71Å; C59-L62 PolarHBondContact O-N 2.96Å; L62-W65 PolarHBondContact O-N 3.07Å; L62-L66 HydrophobicContact CD1-CD1 4.22Å; L62-L66 HydrophobicContact CD1-CG 4.22Å; L62-L66 HydrophobicContact CG-CD1 3.98Å; L62-L66 HydrophobicContact CG-CG 4.39Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 VanDerWaalsContact O-CG 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.26Å; L62-L66 PolarHBondContact O-N 3.33Å; L62-V177 HydrophobicContact CB-CG1 4.4Å; L62-V177 HydrophobicContact CD2-CG1 4.19Å; L62-V177 HydrophobicContact CG-CG1 4.36Å; L62-F181 HydrophobicContact CB-CE2 4.33Å; L62-F181 HydrophobicContact CD2-CE2 3.73Å; L62-F181 HydrophobicContact CD2-CZ 4.3Å
63A98.2Very high96.3Very high0 Ų021.6 Ų21.60%011%0.111CC..Hα-helixtrans-64.2-43.2177.700000112.2C59 A60 N67 M115 V116 A119 V177C59-A63 VanDerWaalsContact O-CB 3.27Å; C59-A63 WeakPolarHBondContact O-CB 3.38Å; C59-A63 PolarHBondContact O-N 3.37Å; A60-A63 PolarHBondContact O-N 2.96Å; A63-N67 VanDerWaalsContact O-CB 3.23Å; A63-N67 WeakPolarHBondContact O-CB 3.37Å; A63-N67 PolarHBondContact O-N 3.47Å; A63-M115 HydrophobicContact CB-CE 4.44Å; A63-M115 HydrophobicContact CB-CG 4.2Å; A63-M115 WeakPolarHBondContact O-CE 3.17Å; A63-V116 HydrophobicContact CB-CG2 4.29Å; A63-A119 HydrophobicContact CB-CB 3.41Å; A63-A119 VanDerWaalsContact CB-CB 3.41Å; A63-V177 HydrophobicContact CB-CG1 4.12Å
64D97.9Very high96.4Very high16 Ų1625.6 Ų25.69%0.08613%0.132CC..Hα-helixtrans-66.5-41177.7-158.411.2000110.7Y38 A60 A61 N67 G68 V116 R268 I269Y38-D64 WeakPolarHBondContact OH-CB 3.31Å; Y38-D64 PolarHBondContact OH-OD2 3.25Å; Y38-D64 VanDerWaalsContact OH-OD2 3.14Å; A60-D64 WeakPolarHBondContact O-CB 3.49Å; A60-D64 PolarHBondContact O-N 3.02Å; A61-D64 PolarHBondContact O-N 2.9Å; D64-N67 WeakPolarHBondContact O-CB 3.28Å; D64-N67 PolarHBondContact O-N 3.21Å; D64-G68 PolarHBondContact O-N 2.91Å; D64-V116 HydrophobicContact CB-CG2 3.79Å; D64-R268 IonicContact OD2-NH2 3.87Å; D64-I269 HydrophobicContact CB-CD1 3.92Å; D64-I269 HydrophobicContact CB-CG1 4.43Å
65W98.2Very high96.4Very high48 Ų4829 Ų2918%0.18215%0.145CC..Hα-helixtrans-63.4-50.8175.7-171.990.2000112.3A61 L62 N67 G68 I69 S220 F223 F266 I269A61-W65 VanDerWaalsContact O-CB 3.26Å; A61-W65 WeakPolarHBondContact O-CB 3.42Å; A61-W65 PolarHBondContact O-N 3.1Å; L62-W65 PolarHBondContact O-N 3.07Å; W65-N67 VanDerWaalsContact C-N 3.27Å; W65-N67 PolarHBondContact O-N 2.71Å; W65-G68 PolarHBondContact O-N 2.91Å; W65-G68 VanDerWaalsContact O-N 3.1Å; W65-I69 HydrophobicContact CD2-CG1 4.09Å; W65-I69 HydrophobicContact CE3-CG1 3.99Å; W65-I69 HydrophobicContact CH2-CD1 4.42Å; W65-I69 HydrophobicContact CH2-CG1 3.84Å; W65-I69 HydrophobicContact CZ2-CD1 4.18Å; W65-I69 HydrophobicContact CZ2-CG1 3.95Å; W65-I69 HydrophobicContact CZ3-CG1 3.86Å; W65-I69 PolarHBondContact O-N 3.13Å; W65-S220 PolarHBondContact NE1-O 3.36Å; W65-S220 PolarHBondContact NE1-OG 3.31Å; W65-F223 HydrophobicContact CH2-CD1 4Å; W65-F223 AromaticContact CH2-CE1 3.87Å; W65-F223 HydrophobicContact CH2-CE1 3.87Å; W65-F223 AromaticContact CZ2-CD1 3.43Å; W65-F223 HydrophobicContact CZ2-CD1 3.43Å; W65-F223 VanDerWaalsContact CZ2-CD1 3.43Å; W65-F223 AromaticContact CZ2-CE1 3.78Å; W65-F223 HydrophobicContact CZ2-CE1 3.78Å; W65-F223 HydrophobicContact CZ2-CG 4.19Å; W65-F266 AromaticContact CD1-CD1 3.48Å; W65-F266 VanDerWaalsContact CD1-CD1 3.48Å; W65-F266 AromaticContact CD1-CE1 3.48Å; W65-F266 VanDerWaalsContact CD1-CE1 3.48Å; W65-F266 HydrophobicContact CD2-CE1 4.48Å; W65-F266 HydrophobicContact CG-CD1 4.32Å; W65-F266 AromaticContact CG-CE1 3.96Å; W65-F266 HydrophobicContact CG-CE1 3.96Å; W65-F266 AromaticContact NE1-CD1 3.85Å; W65-F266 AromaticContact NE1-CE1 3.73Å; W65-I269 HydrophobicContact CB-CD1 3.93Å
66L98Very high96.5Very high54 Ų5428.7 Ų28.728%0.28315%0.145SC..Hα-helixtrans-62.1-37.5176.6-74.1172.9000111.2L62 G68 I69 L70 M115 V177L62-L66 HydrophobicContact CD1-CD1 4.22Å; L62-L66 HydrophobicContact CD1-CG 4.22Å; L62-L66 HydrophobicContact CG-CD1 3.98Å; L62-L66 HydrophobicContact CG-CG 4.39Å; L62-L66 WeakPolarHBondContact O-CB 3.49Å; L62-L66 VanDerWaalsContact O-CG 3.32Å; L62-L66 WeakPolarHBondContact O-CG 3.26Å; L62-L66 PolarHBondContact O-N 3.33Å; L66-G68 VanDerWaalsContact C-N 3.3Å; L66-G68 PolarHBondContact O-N 2.99Å; L66-I69 PolarHBondContact O-N 3.43Å; L66-L70 VanDerWaalsContact O-CB 3.29Å; L66-L70 WeakPolarHBondContact O-CB 3.26Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.43Å; L66-M115 HydrophobicContact CB-CE 3.71Å; L66-M115 HydrophobicContact CD1-CE 4.49Å; L66-V177 HydrophobicContact CD1-CG2 3.77Å
67N98.3Very high96.5Very high3 Ų331.4 Ų31.42%0.01616%0.157CC..Hα-helixtrans-58.1-44.6173.7-173.3-105.9000111.2A63 D64 W65 K71 P110 G112 M115A63-N67 VanDerWaalsContact O-CB 3.23Å; A63-N67 WeakPolarHBondContact O-CB 3.37Å; A63-N67 PolarHBondContact O-N 3.47Å; D64-N67 WeakPolarHBondContact O-CB 3.28Å; D64-N67 PolarHBondContact O-N 3.21Å; W65-N67 VanDerWaalsContact C-N 3.27Å; W65-N67 PolarHBondContact O-N 2.71Å; N67-K71 VanDerWaalsContact O-CB 3.31Å; N67-K71 WeakPolarHBondContact O-CB 3.49Å; N67-K71 VanDerWaalsContact O-CG 3.25Å; N67-K71 WeakPolarHBondContact O-CG 3.49Å; N67-K71 PolarHBondContact O-N 3.47Å; N67-K71 WeakPolarHBondContact OD1-CD 3.31Å; N67-K71 WeakPolarHBondContact OD1-CE 3.44Å; N67-K71 PolarHBondContact OD1-NZ 3.38Å; N67-P110 WeakPolarHBondContact ND2-CG 3.31Å; N67-P110 PolarHBondContact ND2-O 3.01Å; N67-G112 WeakPolarHBondContact ND2-CA 3.37Å; N67-G112 PolarHBondContact ND2-N 3.45Å; N67-G112 WeakPolarHBondContact OD1-CA 3.35Å; N67-M115 HydrophobicContact CB-SD 3.78Å
68G97.6Very high96.5Very high5 Ų531.4 Ų31.45%0.05216%0.157CC..Hα-helixtrans-62.3-47.6177.800000113D64 W65 L66 K71 W72D64-G68 PolarHBondContact O-N 2.91Å; W65-G68 PolarHBondContact O-N 2.91Å; W65-G68 VanDerWaalsContact O-N 3.1Å; L66-G68 VanDerWaalsContact C-N 3.3Å; L66-G68 PolarHBondContact O-N 2.99Å; G68-K71 PolarHBondContact O-N 3.31Å; G68-W72 PolarHBondContact O-N 2.87Å; G68-W72 VanDerWaalsContact O-N 3.17Å
69I97.7Very high96.5Very high17 Ų1730.2 Ų30.29%0.08715%0.151CC..Hα-helixtrans-63.2-46.3177.6-61-58.4000111.1W65 L66 K71 W72 M73 F223 F227 F266W65-I69 HydrophobicContact CD2-CG1 4.09Å; W65-I69 HydrophobicContact CE3-CG1 3.99Å; W65-I69 HydrophobicContact CH2-CD1 4.42Å; W65-I69 HydrophobicContact CH2-CG1 3.84Å; W65-I69 HydrophobicContact CZ2-CD1 4.18Å; W65-I69 HydrophobicContact CZ2-CG1 3.95Å; W65-I69 HydrophobicContact CZ3-CG1 3.86Å; W65-I69 PolarHBondContact O-N 3.13Å; L66-I69 PolarHBondContact O-N 3.43Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 2.88Å; I69-W72 HydrophobicContact CD1-CE3 3.97Å; I69-W72 HydrophobicContact CD1-CZ3 3.99Å; I69-W72 WeakPolarHBondContact O-CB 3.33Å; I69-W72 PolarHBondContact O-N 3.39Å; I69-M73 HydrophobicContact CG2-CG 4.47Å; I69-M73 HydrophobicContact CG2-SD 3.94Å; I69-M73 WeakPolarHBondContact O-CG 3.39Å; I69-M73 PolarHBondContact O-N 2.97Å; I69-F223 HydrophobicContact CD1-CD1 4.32Å; I69-F223 HydrophobicContact CD1-CE1 4.02Å; I69-F227 HydrophobicContact CD1-CD1 4.22Å; I69-F266 HydrophobicContact CD1-CE1 4.18Å; I69-F266 HydrophobicContact CD1-CZ 3.78Å; I69-F266 HydrophobicContact CG1-CE1 4.35Å; I69-F266 HydrophobicContact CG1-CZ 4.18Å
70L97.5Very high96.4Very high54 Ų5430.3 Ų30.328%0.28315%0.152SC..Hα-helixtrans-63.6-35.2177.9-70.7172.5000112.2L66 W72 M73 L74 P110L66-L70 VanDerWaalsContact O-CB 3.29Å; L66-L70 WeakPolarHBondContact O-CB 3.26Å; L66-L70 WeakPolarHBondContact O-CG 3.39Å; L66-L70 PolarHBondContact O-N 3.43Å; L70-W72 VanDerWaalsContact C-N 3.33Å; L70-W72 PolarHBondContact O-N 3.22Å; L70-M73 PolarHBondContact O-N 2.92Å; L70-L74 HydrophobicContact CB-CD1 4.34Å; L70-L74 VanDerWaalsContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CB 3.21Å; L70-L74 VanDerWaalsContact O-CG 3.25Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 3.46Å; L70-P110 HydrophobicContact CB-CG 4.3Å; L70-P110 HydrophobicContact CD1-CG 4.16Å
71K97.6Very high96.2Very high17 Ų1730.3 Ų30.37%0.07415%0.152CC..Hα-helixtrans-62.7-40175-84.7176.1176.3171.90112.5N67 G68 I69 Y75 P107 S109 P110 L262N67-K71 VanDerWaalsContact O-CB 3.31Å; N67-K71 WeakPolarHBondContact O-CB 3.49Å; N67-K71 VanDerWaalsContact O-CG 3.25Å; N67-K71 WeakPolarHBondContact O-CG 3.49Å; N67-K71 PolarHBondContact O-N 3.47Å; N67-K71 WeakPolarHBondContact OD1-CD 3.31Å; N67-K71 WeakPolarHBondContact OD1-CE 3.44Å; N67-K71 PolarHBondContact OD1-NZ 3.38Å; G68-K71 PolarHBondContact O-N 3.31Å; I69-K71 VanDerWaalsContact C-N 3.3Å; I69-K71 PolarHBondContact O-N 2.88Å; K71-Y75 PolarHBondContact O-N 3.48Å; K71-P107 HydrophobicContact CB-CB 3.98Å; K71-P107 HydrophobicContact CB-CG 4.02Å; K71-P107 WeakPolarHBondContact CD-O 3.46Å; K71-P107 WeakPolarHBondContact CE-O 3.42Å; K71-P107 HydrophobicContact CG-CB 4.15Å; K71-S109 WeakPolarHBondContact CA-O 3.42Å; K71-S109 VanDerWaalsContact CG-O 3.26Å; K71-S109 WeakPolarHBondContact CG-O 3.39Å; K71-P110 WeakPolarHBondContact CE-O 3.29Å; K71-L262 HydrophobicContact CB-CD1 4.09Å; K71-L262 HydrophobicContact CB-CD2 4.15Å; K71-L262 HydrophobicContact CD-CD2 3.79Å
72W95.5Very high96Very high4 Ų430 Ų302%0.01515%0.147CC..Hα-helixtrans-65.7-40.1170.9-81.3-36.4000112.3G68 I69 L70 Y75 A224 F227 L231 P239 L262 M263 F266G68-W72 PolarHBondContact O-N 2.87Å; G68-W72 VanDerWaalsContact O-N 3.17Å; I69-W72 HydrophobicContact CD1-CE3 3.97Å; I69-W72 HydrophobicContact CD1-CZ3 3.99Å; I69-W72 WeakPolarHBondContact O-CB 3.33Å; I69-W72 PolarHBondContact O-N 3.39Å; L70-W72 VanDerWaalsContact C-N 3.33Å; L70-W72 PolarHBondContact O-N 3.22Å; W72-Y75 VanDerWaalsContact O-CD2 3.27Å; W72-Y75 WeakPolarHBondContact O-CD2 3.42Å; W72-Y75 WeakPolarHBondContact O-CE2 3.46Å; W72-Y75 PolarHBondContact O-OH 3.12Å; W72-A224 HydrophobicContact CH2-CB 4.23Å; W72-A224 VanDerWaalsContact CH2-O 3.3Å; W72-A224 WeakPolarHBondContact CH2-O 3.3Å; W72-A224 HydrophobicContact CZ3-CB 4.1Å; W72-A224 WeakPolarHBondContact CZ3-O 3.35Å; W72-F227 HydrophobicContact CB-CE1 4Å; W72-F227 HydrophobicContact CD2-CD1 4.29Å; W72-F227 HydrophobicContact CD2-CE1 4.43Å; W72-F227 AromaticContact CE3-CD1 3.45Å; W72-F227 HydrophobicContact CE3-CD1 3.45Å; W72-F227 VanDerWaalsContact CE3-CD1 3.45Å; W72-F227 AromaticContact CE3-CE1 3.85Å; W72-F227 HydrophobicContact CE3-CE1 3.85Å; W72-F227 AromaticContact CZ3-CD1 3.82Å; W72-F227 HydrophobicContact CZ3-CD1 3.82Å; W72-L231 HydrophobicContact CB-CD1 3.77Å; W72-L231 HydrophobicContact CD2-CD1 3.99Å; W72-L231 HydrophobicContact CG-CD1 3.67Å; W72-P239 HydrophobicContact CZ2-CB 4.44Å; W72-P239 PolarHBondContact NE1-O 2.91Å; W72-L262 HydrophobicContact CD2-CD1 3.96Å; W72-L262 HydrophobicContact CG-CD1 3.75Å; W72-L262 HydrophobicContact CZ2-CB 4.06Å; W72-L262 VanDerWaalsContact NE1-CD1 3.26Å; W72-M263 HydrophobicContact CH2-CE 3.97Å; W72-M263 HydrophobicContact CZ2-CE 4.18Å; W72-F266 AromaticContact CE3-CE2 3.98Å; W72-F266 HydrophobicContact CE3-CE2 3.98Å; W72-F266 HydrophobicContact CE3-CZ 4.21Å; W72-F266 AromaticContact CH2-CD2 3.86Å; W72-F266 HydrophobicContact CH2-CD2 3.86Å; W72-F266 AromaticContact CH2-CE2 3.33Å; W72-F266 HydrophobicContact CH2-CE2 3.33Å; W72-F266 HydrophobicContact CH2-CZ 4.25Å; W72-F266 HydrophobicContact CZ2-CE2 4.02Å; W72-F266 HydrophobicContact CZ3-CD2 4.19Å; W72-F266 AromaticContact CZ3-CE2 3.3Å; W72-F266 HydrophobicContact CZ3-CE2 3.3Å; W72-F266 AromaticContact CZ3-CZ 3.77Å; W72-F266 HydrophobicContact CZ3-CZ 3.77Å
73M95.1Very high95.7Very high117 Ų11728 Ų2858%0.57614%0.136SC*.Hα-helixtrans-73.9-36.5-177.8-67.1176.170.800113.9I69 L70 Y75 F227I69-M73 HydrophobicContact CG2-CG 4.47Å; I69-M73 HydrophobicContact CG2-SD 3.94Å; I69-M73 WeakPolarHBondContact O-CG 3.39Å; I69-M73 PolarHBondContact O-N 2.97Å; L70-M73 PolarHBondContact O-N 2.92Å; M73-Y75 WeakPolarHBondContact O-CD2 3.33Å; M73-F227 HydrophobicContact CG-CZ 4.28Å
74L95Very high95.3Very high84 Ų8431.3 Ų31.344%0.4416%0.157SC..Hα-helixtrans-90.7-15.4-170.1-65.7176.2000114.1L70 G76 L169L70-L74 HydrophobicContact CB-CD1 4.34Å; L70-L74 VanDerWaalsContact O-CB 3.27Å; L70-L74 WeakPolarHBondContact O-CB 3.21Å; L70-L74 VanDerWaalsContact O-CG 3.25Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 3.46Å; L74-G76 PolarHBondContact O-N 3.44Å; L74-L169 HydrophobicContact CD1-CD2 3.92Å
75Y92.8Very high94.9Very high71 Ų7135 Ų3528%0.27818%0.176SC..  trans47.937.9177.9-68.4-81.2000114.5K71 W72 M73 H77 V237 W241K71-Y75 PolarHBondContact O-N 3.48Å; W72-Y75 VanDerWaalsContact O-CD2 3.27Å; W72-Y75 WeakPolarHBondContact O-CD2 3.42Å; W72-Y75 WeakPolarHBondContact O-CE2 3.46Å; W72-Y75 PolarHBondContact O-OH 3.12Å; M73-Y75 WeakPolarHBondContact O-CD2 3.33Å; Y75-H77 PolarHBondContact O-N 2.95Å; Y75-V237 HydrophobicContact CD1-CG1 4.33Å; Y75-V237 HydrophobicContact CE1-CB 4.43Å; Y75-V237 HydrophobicContact CE1-CG1 3.25Å; Y75-V237 VanDerWaalsContact CZ-CG1 3.4Å; Y75-V237 WeakPolarHBondContact OH-CB 3.31Å; Y75-V237 WeakPolarHBondContact OH-CG1 3.44Å; Y75-W241 AromaticContact CD1-CE2 3.67Å; Y75-W241 AromaticContact CD1-CZ2 3.88Å; Y75-W241 HydrophobicContact CD1-CZ2 3.88Å; Y75-W241 AromaticContact CD1-NE1 3.34Å; Y75-W241 VanDerWaalsContact CD1-NE1 3.34Å; Y75-W241 AromaticContact CE1-CD1 3.87Å; Y75-W241 AromaticContact CE1-NE1 3.42Å
76G94.7Very high94.4Very high7 Ų734.2 Ų34.27%0.07218%0.176CC..PPolyproline II helixtrans-74128.2-173.800000113.1L74 G108L74-G76 PolarHBondContact O-N 3.44Å; G76-G108 PolarHBondContact O-N 3.43Å
77H95Very high93.6Very high56 Ų5641 Ų4126%0.25920%0.197SC..PPolyproline II helixtrans-74.8151.9170.9-69.7-85000112.3Y75 W81 W82 Q166 W241 L245Y75-H77 PolarHBondContact O-N 2.95Å; H77-W81 HydrophobicContact CB-CE3 4.39Å; H77-W82 HydrophobicContact CB-CB 4.25Å; H77-Q166 PolarHBondContact O-NE2 3.36Å; H77-W241 AromaticContact CE1-CZ3 3.98Å; H77-L245 WeakPolarHBondContact ND1-CD2 3.33Å
78R96Very high92.7Very high1 Ų146.2 Ų46.20%0.00423%0.234CC..PPolyproline II helixtrans-83.2158166-63.6-173.5179.3-124.9-7.9111Y80 W81 W82 T102 E104 G106 A161R78-Y80 HydrophobicContact CB-CD1 3.96Å; R78-Y80 HydrophobicContact CB-CE1 3.89Å; R78-Y80 HydrophobicContact CG-CE1 4.46Å; R78-Y80 PolarHBondContact O-N 3.41Å; R78-W81 HydrophobicContact CB-CD2 3.68Å; R78-W81 HydrophobicContact CB-CE3 3.99Å; R78-W81 HydrophobicContact CB-CG 3.95Å; R78-W81 HydrophobicContact CB-CZ2 4.37Å; R78-W81 HydrophobicContact CB-CZ3 4.45Å; R78-W81 VanDerWaalsContact CD-CZ2 3.42Å; R78-W81 HydrophobicContact CG-CD2 3.91Å; R78-W81 HydrophobicContact CG-CE3 3.93Å; R78-W81 HydrophobicContact CG-CH2 3.79Å; R78-W81 HydrophobicContact CG-CZ2 3.77Å; R78-W81 HydrophobicContact CG-CZ3 3.87Å; R78-W81 WeakPolarHBondContact O-CB 3.43Å; R78-W81 PolarHBondContact O-N 2.95Å; R78-W82 PolarHBondContact O-N 3.36Å; R78-T102 PolarHBondContact NH1-O 2.94Å; R78-E104 IonicContact CZ-OE2 3.41Å; R78-E104 IonicContact NH1-OE2 3.11Å; R78-E104 PolarHBondContact NH1-OE2 2.9Å; R78-E104 VanDerWaalsContact NH1-OE2 3.11Å; R78-E104 IonicContact NH2-OE2 2.8Å; R78-E104 PolarHBondContact NH2-OE2 3.39Å; R78-G106 PolarHBondContact NE-O 3Å; R78-G106 PolarHBondContact NH2-O 3.2Å; R78-A161 WeakPolarHBondContact CG-O 3.34Å
79P95.4Very high91.7Very high0 Ų052.1 Ų52.10%026%0.264CS..Hα-helixtrans-48.9-53.2178-31.236.4000114.5I9 I12 W81 W82 L83 A160 F163I9-P79 HydrophobicContact CD1-CB 3.71Å; I12-P79 HydrophobicContact CD1-CB 3.62Å; I12-P79 HydrophobicContact CD1-CG 3.41Å; I12-P79 VanDerWaalsContact CD1-CG 3.41Å; P79-W81 PolarHBondContact O-N 2.72Å; P79-W82 PolarHBondContact O-N 2.81Å; P79-L83 PolarHBondContact O-N 3.13Å; P79-A160 HydrophobicContact CB-CB 4.36Å; P79-A160 WeakPolarHBondContact CD-O 3.42Å; P79-A160 WeakPolarHBondContact CG-O 3.09Å; P79-F163 HydrophobicContact CB-CE1 4.17Å; P79-F163 HydrophobicContact CB-CE2 4.47Å; P79-F163 HydrophobicContact CB-CZ 4.16Å; P79-F163 HydrophobicContact CG-CD1 4.05Å; P79-F163 HydrophobicContact CG-CD2 4.07Å; P79-F163 HydrophobicContact CG-CE1 4.16Å; P79-F163 HydrophobicContact CG-CE2 4.16Å; P79-F163 HydrophobicContact CG-CG 4.04Å; P79-F163 HydrophobicContact CG-CZ 4.22Å
80Y92.4Very high90.6Very high1 Ų152 Ų520%0.00426%0.264CS..Hα-helixtrans-68.5-33.5-177.676.2-83.5000112.9R78 T84 T102 C103 A249R78-Y80 HydrophobicContact CB-CD1 3.96Å; R78-Y80 HydrophobicContact CB-CE1 3.89Å; R78-Y80 HydrophobicContact CG-CE1 4.46Å; R78-Y80 PolarHBondContact O-N 3.41Å; Y80-T84 PolarHBondContact O-N 3.35Å; Y80-T84 VanDerWaalsContact O-N 3.09Å; Y80-T84 PolarHBondContact O-OG1 3.32Å; Y80-T84 VanDerWaalsContact O-OG1 3.05Å; Y80-T102 HydrophobicContact CD1-CG2 3.64Å; Y80-T102 HydrophobicContact CE1-CG2 3.81Å; Y80-T102 HydrophobicContact CG-CG2 4.27Å; Y80-C103 WeakPolarHBondContact OH-CA 3.35Å; Y80-A249 HydrophobicContact CD2-CB 3.82Å; Y80-A249 WeakPolarHBondContact CD2-O 3.23Å; Y80-A249 HydrophobicContact CE2-CB 3.81Å
81W93.3Very high89.7Confident0 Ų053.6 Ų53.60%027%0.273CS..Hα-helixtrans-61.9-48.2172.4-58.7-12.6000111.4H77 R78 P79 L83 T84 L85 G106 W241 L245 A246H77-W81 HydrophobicContact CB-CE3 4.39Å; R78-W81 HydrophobicContact CB-CD2 3.68Å; R78-W81 HydrophobicContact CB-CE3 3.99Å; R78-W81 HydrophobicContact CB-CG 3.95Å; R78-W81 HydrophobicContact CB-CZ2 4.37Å; R78-W81 HydrophobicContact CB-CZ3 4.45Å; R78-W81 VanDerWaalsContact CD-CZ2 3.42Å; R78-W81 HydrophobicContact CG-CD2 3.91Å; R78-W81 HydrophobicContact CG-CE3 3.93Å; R78-W81 HydrophobicContact CG-CH2 3.79Å; R78-W81 HydrophobicContact CG-CZ2 3.77Å; R78-W81 HydrophobicContact CG-CZ3 3.87Å; R78-W81 WeakPolarHBondContact O-CB 3.43Å; R78-W81 PolarHBondContact O-N 2.95Å; P79-W81 PolarHBondContact O-N 2.72Å; W81-L83 VanDerWaalsContact C-N 3.32Å; W81-L83 PolarHBondContact O-N 3.41Å; W81-T84 PolarHBondContact O-N 2.92Å; W81-L85 WeakPolarHBondContact O-CG 3.46Å; W81-L85 PolarHBondContact O-N 3.33Å; W81-G106 WeakPolarHBondContact CH2-O 3.29Å; W81-W241 HydrophobicContact CZ3-CH2 4.21Å; W81-W241 HydrophobicContact CZ3-CZ3 4.41Å; W81-L245 HydrophobicContact CB-CD2 3.86Å; W81-L245 HydrophobicContact CB-CG 4.04Å; W81-L245 HydrophobicContact CD2-CD2 3.84Å; W81-L245 HydrophobicContact CD2-CG 3.98Å; W81-L245 HydrophobicContact CE3-CD2 3.67Å; W81-L245 HydrophobicContact CE3-CG 4.27Å; W81-L245 HydrophobicContact CG-CD2 3.93Å; W81-L245 HydrophobicContact CG-CG 3.86Å; W81-A246 HydrophobicContact CZ2-CB 3.97Å
82W93.5Very high88.8Confident10 Ų1058.3 Ų58.34%0.03831%0.305CS..Hα-helixtrans-64.8-40-176.4-174.782.5000111.2N2 H5 N6 I9 H77 R78 P79 L85 N86 T90 F163N2-W82 HydrophobicContact CB-CZ2 4.36Å; H5-W82 HydrophobicContact CB-CD2 3.58Å; H5-W82 VanDerWaalsContact CB-CE2 3.49Å; H5-W82 HydrophobicContact CB-CE3 3.93Å; H5-W82 HydrophobicContact CB-CG 4.13Å; H5-W82 HydrophobicContact CB-CH2 4.15Å; H5-W82 HydrophobicContact CB-CZ2 3.8Å; H5-W82 HydrophobicContact CB-CZ3 4.19Å; H5-W82 AromaticContact CE1-CD1 3.8Å; H5-W82 AromaticContact CE1-NE1 3.99Å; H5-W82 AromaticContact CG-CD1 3.95Å; H5-W82 AromaticContact CG-CE2 3.92Å; H5-W82 AromaticContact CG-NE1 3.82Å; H5-W82 AromaticContact ND1-CD1 3.23Å; H5-W82 AromaticContact ND1-CE2 3.62Å; H5-W82 AromaticContact ND1-CG 3.82Å; H5-W82 AromaticContact ND1-NE1 3.07Å; H5-W82 PolarHBondContact ND1-NE1 3.31Å; N6-W82 WeakPolarHBondContact OD1-CH2 3.29Å; N6-W82 WeakPolarHBondContact OD1-CZ3 3.42Å; I9-W82 HydrophobicContact CD1-CE3 4.47Å; I9-W82 HydrophobicContact CG1-CE3 3.95Å; I9-W82 HydrophobicContact CG1-CZ3 4.08Å; H77-W82 HydrophobicContact CB-CB 4.25Å; R78-W82 PolarHBondContact O-N 3.36Å; P79-W82 PolarHBondContact O-N 2.81Å; W82-L85 PolarHBondContact O-N 3.35Å; W82-N86 VanDerWaalsContact CD1-ND2 3.29Å; W82-N86 HydrophobicContact CH2-CB 4.24Å; W82-N86 HydrophobicContact CZ2-CB 4.05Å; W82-N86 PolarHBondContact NE1-ND2 3.3Å; W82-N86 WeakPolarHBondContact O-CB 3.38Å; W82-N86 PolarHBondContact O-N 3.45Å; W82-N86 PolarHBondContact O-ND2 2.87Å; W82-T90 HydrophobicContact CH2-CG2 3.48Å; W82-T90 VanDerWaalsContact CH2-CG2 3.48Å; W82-T90 HydrophobicContact CZ3-CG2 3.56Å; W82-F163 HydrophobicContact CB-CE2 4.28Å; W82-F163 HydrophobicContact CB-CZ 4.03Å; W82-F163 HydrophobicContact CG-CZ 4.28Å
83L91Very high88.2Confident22 Ų2264 Ų6412%0.11534%0.336CS..Hα-helixtrans-63.5-45.9175.7-171.869000111.7P79 W81 L85 N86 R87 L94 V96P79-L83 PolarHBondContact O-N 3.13Å; W81-L83 VanDerWaalsContact C-N 3.32Å; W81-L83 PolarHBondContact O-N 3.41Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 2.98Å; L83-N86 PolarHBondContact O-N 3.05Å; L83-R87 WeakPolarHBondContact O-CA 3.38Å; L83-R87 WeakPolarHBondContact O-CB 3.38Å; L83-R87 PolarHBondContact O-N 3.44Å; L83-L94 HydrophobicContact CD1-CB 4.19Å; L83-V96 HydrophobicContact CD2-CG2 4.11Å
84T88.9Confident87.8Confident71 Ų7159.3 Ų59.344%0.43631%0.313SS..Hα-helixtrans-60.6-42.9177.6-61.10000112Y80 W81 A249Y80-T84 PolarHBondContact O-N 3.35Å; Y80-T84 VanDerWaalsContact O-N 3.09Å; Y80-T84 PolarHBondContact O-OG1 3.32Å; Y80-T84 VanDerWaalsContact O-OG1 3.05Å; W81-T84 PolarHBondContact O-N 2.92Å; T84-A249 HydrophobicContact CG2-CB 4.41Å
85L88.9Confident87.6Confident92 Ų9258.7 Ų58.748%0.48232%0.316SS..Hα-helixtrans-72.8-30.6-179.5-69.9173.2000113.7W81 W82 L83 L245W81-L85 WeakPolarHBondContact O-CG 3.46Å; W81-L85 PolarHBondContact O-N 3.33Å; W82-L85 PolarHBondContact O-N 3.35Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L85 PolarHBondContact O-N 2.98Å; L85-L245 HydrophobicContact CD1-CD1 3.92Å; L85-L245 HydrophobicContact CD1-CD2 4.13Å; L85-L245 HydrophobicContact CD2-CD1 4.22Å; L85-L245 HydrophobicContact CG-CD1 4.19Å
86N88.2Confident87.6Confident33 Ų3356.2 Ų56.218%0.17631%0.308CS..THydrogen-bonded Turntrans-110.421-175.3-61.6-79.6000112.9W82 L83 S88 L89 T90W82-N86 VanDerWaalsContact CD1-ND2 3.29Å; W82-N86 HydrophobicContact CH2-CB 4.24Å; W82-N86 HydrophobicContact CZ2-CB 4.05Å; W82-N86 PolarHBondContact NE1-ND2 3.3Å; W82-N86 WeakPolarHBondContact O-CB 3.38Å; W82-N86 PolarHBondContact O-N 3.45Å; W82-N86 PolarHBondContact O-ND2 2.87Å; L83-N86 PolarHBondContact O-N 3.05Å; N86-S88 PolarHBondContact O-N 2.85Å; N86-L89 PolarHBondContact O-N 3.29Å; N86-T90 HydrophobicContact CB-CG2 4.35Å; N86-T90 WeakPolarHBondContact O-CG2 3.39Å; N86-T90 PolarHBondContact O-N 3.32Å; N86-T90 VanDerWaalsContact O-N 3.14Å; N86-T90 PolarHBondContact O-OG1 3.29Å
87R82.5Confident87.5Confident195 Ų19560.2 Ų60.274%0.73632%0.323SS*.G310 helixtrans-58.1-33.1-175.4-165.4169.2-1741532.4113.5L83 L89 T90L83-R87 WeakPolarHBondContact O-CA 3.38Å; L83-R87 WeakPolarHBondContact O-CB 3.38Å; L83-R87 PolarHBondContact O-N 3.44Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 3.25Å; R87-T90 WeakPolarHBondContact CA-OG1 3.39Å; R87-T90 PolarHBondContact O-OG1 2.95Å
88S77.6Confident87.5Confident113 Ų11358.6 Ų58.679%0.7932%0.316SS*.G310 helixtrans-74.1-16.8176.7560000114.3N86N86-S88 PolarHBondContact O-N 2.85Å
89L76.9Confident87.3Confident130 Ų13059.2 Ų59.268%0.68132%0.318SS*.G310 helixtrans-109.5-1.3-176.8-59.5177.5000112.7N86 R87N86-L89 PolarHBondContact O-N 3.29Å; R87-L89 VanDerWaalsContact C-N 3.29Å; R87-L89 PolarHBondContact O-N 3.25Å
90T75Confident87.2Confident15 Ų1562.4 Ų62.49%0.09234%0.339CS..SBendtrans-110.5153.6-177.342.70000109.8W82 N86 R87 L94W82-T90 HydrophobicContact CH2-CG2 3.48Å; W82-T90 VanDerWaalsContact CH2-CG2 3.48Å; W82-T90 HydrophobicContact CZ3-CG2 3.56Å; N86-T90 HydrophobicContact CB-CG2 4.35Å; N86-T90 WeakPolarHBondContact O-CG2 3.39Å; N86-T90 PolarHBondContact O-N 3.32Å; N86-T90 VanDerWaalsContact O-N 3.14Å; N86-T90 PolarHBondContact O-OG1 3.29Å; R87-T90 WeakPolarHBondContact CA-OG1 3.39Å; R87-T90 PolarHBondContact O-OG1 2.95Å; T90-L94 HydrophobicContact CG2-CD1 4.48Å
91D79.1Confident87.1Confident86 Ų8663.7 Ų63.746%0.4635%0.346SS..  trans-52.8127172.4-176.4-18.5000109.2D93 L94D91-D93 PolarHBondContact O-N 2.87Å; D91-D93 VanDerWaalsContact O-N 3.07Å; D91-D93 PolarHBondContact OD1-N 3.44Å; D91-L94 HydrophobicContact CB-CD1 3.65Å; D91-L94 HydrophobicContact CB-CG 3.9Å; D91-L94 WeakPolarHBondContact O-CB 3.41Å; D91-L94 PolarHBondContact O-N 3Å
92P78.8Confident87.1Confident116 Ų11663.7 Ų63.775%0.75335%0.346SS*.THydrogen-bonded Turntrans-56.6-22.6179.522.6-34.3000113.6
93D83.4Confident87Confident124 Ų12463.2 Ų63.266%0.66334%0.344SS*.THydrogen-bonded Turntrans-82.4-11.8178.2-65.6-19.1000113.1Q13 D91 S95Q13-D93 PolarHBondContact NE2-O 3.49Å; D91-D93 PolarHBondContact O-N 2.87Å; D91-D93 VanDerWaalsContact O-N 3.07Å; D91-D93 PolarHBondContact OD1-N 3.44Å; D93-S95 PolarHBondContact O-N 3.23Å; D93-S95 VanDerWaalsContact O-N 3.15Å
94L86.6Confident87Confident18 Ų1862.9 Ų62.99%0.09434%0.342CS..  trans-70.7110.2173.8-75161.3000109.6I9 Q10 L83 T90 D91I9-L94 HydrophobicContact CB-CD2 4.36Å; I9-L94 HydrophobicContact CG2-CB 4.27Å; I9-L94 HydrophobicContact CG2-CD2 3.72Å; Q10-L94 HydrophobicContact CG-CD2 3.64Å; L83-L94 HydrophobicContact CD1-CB 4.19Å; T90-L94 HydrophobicContact CG2-CD1 4.48Å; D91-L94 HydrophobicContact CB-CD1 3.65Å; D91-L94 HydrophobicContact CB-CG 3.9Å; D91-L94 WeakPolarHBondContact O-CB 3.41Å; D91-L94 PolarHBondContact O-N 3Å
95S89.2Confident87.2Confident71 Ų7159.5 Ų59.550%0.49732%0.321SS..  trans-140.3148.1174.660.90000110.7Q13 D93Q13-S95 WeakPolarHBondContact CG-O 3.34Å; D93-S95 PolarHBondContact O-N 3.23Å; D93-S95 VanDerWaalsContact O-N 3.15Å
96V92.4Very high87.3Confident19 Ų1955.1 Ų55.112%0.11530%0.298CS..  trans-127.1136.9174.3-62.90000109.1I9 I12 L83 A160I9-V96 HydrophobicContact CD1-CG1 4.34Å; I9-V96 HydrophobicContact CG2-CG1 3.89Å; I12-V96 HydrophobicContact CB-CG1 4.25Å; I12-V96 HydrophobicContact CG2-CB 4.25Å; I12-V96 HydrophobicContact CG2-CG1 3.72Å; L83-V96 HydrophobicContact CD2-CG2 4.11Å; V96-A160 HydrophobicContact CB-CB 4.06Å; V96-A160 HydrophobicContact CG2-CB 4.08Å
97K93.7Very high87.7Confident91 Ų9153.5 Ų53.540%0.39629%0.29SS..  trans-74.1138.6173.4-61.5179.7-178177.40109.5Q16 E19 Y99Q16-K97 PolarHBondContact NE2-O 3.11Å; E19-K97 IonicContact OE1-NZ 3.31Å; E19-K97 PolarHBondContact OE1-NZ 3.04Å; K97-Y99 HydrophobicContact CB-CE2 4.13Å
98Q94.1Very high88.3Confident23 Ų2344.2 Ų44.211%0.10726%0.255CS..  trans-102.4147.7170.5-58.3-175.622.200109.1T102 C103 A249 L251 W255Q98-T102 HydrophobicContact CB-CG2 4.16Å; Q98-T102 HydrophobicContact CG-CG2 4.15Å; Q98-C103 PolarHBondContact OE1-SG 3.25Å; Q98-C103 VanDerWaalsContact OE1-SG 3.36Å; Q98-A249 PolarHBondContact NE2-O 2.94Å; Q98-A249 VanDerWaalsContact NE2-O 3.08Å; Q98-L251 HydrophobicContact CB-CD1 4.23Å; Q98-L251 HydrophobicContact CG-CD1 4.15Å; Q98-L251 HydrophobicContact CG-CG 4.45Å; Q98-L251 VanDerWaalsContact OE1-N 3.08Å; Q98-W255 HydrophobicContact CB-CE3 4.44Å; Q98-W255 HydrophobicContact CB-CZ3 3.96Å; Q98-W255 WeakPolarHBondContact O-CZ3 3.32Å
99Y93.2Very high89.2Confident13 Ų1339.3 Ų39.35%0.05122%0.221CC..  trans-128.2167.9179.2-57.5-84.9000109.2E22 K97 L101 T102 Y158 L159E22-Y99 HydrophobicContact CB-CE1 4.42Å; E22-Y99 HydrophobicContact CG-CD1 4Å; E22-Y99 HydrophobicContact CG-CE1 3.6Å; K97-Y99 HydrophobicContact CB-CE2 4.13Å; Y99-L101 PolarHBondContact O-N 3.3Å; Y99-T102 PolarHBondContact N-OG1 3.38Å; Y99-T102 WeakPolarHBondContact O-CB 3.06Å; Y99-T102 PolarHBondContact O-N 3.44Å; Y99-T102 PolarHBondContact O-OG1 3.3Å; Y99-T102 VanDerWaalsContact O-OG1 3.13Å; Y99-Y158 HydrophobicContact CE2-CD1 4.26Å; Y99-Y158 HydrophobicContact CE2-CE1 4.04Å; Y99-Y158 AromaticContact CZ-CE1 3.77Å; Y99-Y158 WeakPolarHBondContact OH-CE1 3Å; Y99-L159 HydrophobicContact CD2-CB 4.4Å; Y99-L159 HydrophobicContact CD2-CD2 3.6Å; Y99-L159 HydrophobicContact CE2-CD2 4.25Å; Y99-L159 HydrophobicContact CG-CD2 3.79Å
100P91.9Very high90.2Very high67 Ų6733.1 Ų33.144%0.43519%0.188SC..THydrogen-bonded Turntrans-53.8-29.8178.7-28.634.8000115.1W255 H257P100-W255 HydrophobicContact CB-CD2 4.49Å; P100-W255 HydrophobicContact CB-CG 4.3Å; P100-W255 HydrophobicContact CG-CD2 4.41Å; P100-W255 HydrophobicContact CG-CZ2 4.07Å; P100-H257 PolarHBondContact O-NE2 2.96Å
101L91Very high91.3Very high29 Ų2932.4 Ų32.415%0.15218%0.184CC..THydrogen-bonded Turntrans-86.2-2.5177-72.6178.6000114.7T26 Y99 L159T26-L101 HydrophobicContact CG2-CD1 4.14Å; Y99-L101 PolarHBondContact O-N 3.3Å; L101-L159 HydrophobicContact CB-CD1 4.06Å; L101-L159 HydrophobicContact CD1-CD1 4.08Å
102T93Very high92.1Very high0 Ų028.5 Ų28.50%016%0.164CC..THydrogen-bonded Turntrans-76.2-42.8-176.5-57.70000111.8R78 Y80 Q98 Y99 E104 L159 A160R78-T102 PolarHBondContact NH1-O 2.94Å; Y80-T102 HydrophobicContact CD1-CG2 3.64Å; Y80-T102 HydrophobicContact CE1-CG2 3.81Å; Y80-T102 HydrophobicContact CG-CG2 4.27Å; Q98-T102 HydrophobicContact CB-CG2 4.16Å; Q98-T102 HydrophobicContact CG-CG2 4.15Å; Y99-T102 PolarHBondContact N-OG1 3.38Å; Y99-T102 WeakPolarHBondContact O-CB 3.06Å; Y99-T102 PolarHBondContact O-N 3.44Å; Y99-T102 PolarHBondContact O-OG1 3.3Å; Y99-T102 VanDerWaalsContact O-OG1 3.13Å; T102-E104 VanDerWaalsContact C-N 3.27Å; T102-E104 PolarHBondContact O-N 2.96Å; T102-L159 WeakPolarHBondContact CB-O 3.43Å; T102-L159 WeakPolarHBondContact CG2-O 3.45Å; T102-L159 PolarHBondContact OG1-O 2.8Å; T102-A160 HydrophobicContact CG2-CB 4.48Å
103C91.7Very high93Very high0 Ų023.9 Ų23.90%013%0.132CC..  trans-85.845.6-167.1-61.80000115.1Y80 Q98 C250 W255 I256 H257Y80-C103 WeakPolarHBondContact OH-CA 3.35Å; Q98-C103 PolarHBondContact OE1-SG 3.25Å; Q98-C103 VanDerWaalsContact OE1-SG 3.36Å; C103-C250 HydrophobicContact CB-CB 3.81Å; C103-C250 WeakPolarHBondContact CB-SG 3.35Å; C103-C250 WeakPolarHBondContact SG-CB 2.95Å; C103-C250 CovalentContact SG-SG 2.03Å; C103-C250 PolarHBondContact SG-SG 3.35Å; C103-W255 HydrophobicContact CB-CB 4.01Å; C103-W255 VanDerWaalsContact CB-O 3.29Å; C103-W255 WeakPolarHBondContact CB-O 3.34Å; C103-I256 WeakPolarHBondContact O-CA 3.3Å; C103-H257 PolarHBondContact O-N 3.1Å
104E91.8Very high93.8Very high14 Ų1418 Ų187%0.06510%0.101CC..BIsolated β-bridgetrans-70.6153.1168-53.5171.3176.900111.2R78 T102 H113 R156 T260R78-E104 IonicContact CZ-OE2 3.41Å; R78-E104 IonicContact NH1-OE2 3.11Å; R78-E104 PolarHBondContact NH1-OE2 2.9Å; R78-E104 VanDerWaalsContact NH1-OE2 3.11Å; R78-E104 IonicContact NH2-OE2 2.8Å; R78-E104 PolarHBondContact NH2-OE2 3.39Å; T102-E104 VanDerWaalsContact C-N 3.27Å; T102-E104 PolarHBondContact O-N 2.96Å; E104-H113 IonicContact OE1-CE1 3.89Å; E104-H113 PolarHBondContact OE1-CE1 3.19Å; E104-H113 IonicContact OE1-ND1 3.08Å; E104-H113 IonicContact OE1-NE2 3.65Å; E104-R156 VanDerWaalsContact CD-NH2 3.28Å; E104-R156 IonicContact OE1-CZ 3.57Å; E104-R156 IonicContact OE1-NH1 2.59Å; E104-R156 IonicContact OE1-NH2 3.63Å; E104-R156 PolarHBondContact OE1-NH2 3.06Å; E104-R156 IonicContact OE2-NH2 2.76Å; E104-R156 PolarHBondContact OE2-NH2 2.95Å; E104-T260 WeakPolarHBondContact CA-OG1 3.17Å; E104-T260 HydrophobicContact CB-CG2 4.21Å; E104-T260 WeakPolarHBondContact CB-OG1 3.49Å; E104-T260 HydrophobicContact CG-CG2 4.06Å
105T91.5Very high94.3Very high0 Ų017.2 Ų17.20%010%0.097CC..SBendtrans-95.8-12.2-168.152.30000114.5S242 I243 A246 I256 H257 L258 T260 S261T105-S242 CarbonylContact O-C 3.59Å; T105-S242 WeakPolarHBondContact O-CB 3.37Å; T105-S242 PolarHBondContact O-OG 2.91Å; T105-I243 HydrophobicContact CG2-CG2 4.41Å; T105-A246 HydrophobicContact CG2-CB 4.16Å; T105-I256 HydrophobicContact CG2-CG2 3.68Å; T105-H257 PolarHBondContact OG1-O 3.3Å; T105-L258 HydrophobicContact CG2-CD2 4.38Å; T105-T260 PolarHBondContact N-OG1 2.65Å; T105-T260 PolarHBondContact OG1-OG1 3.21Å; T105-S261 PolarHBondContact OG1-N 3.31Å; T105-S261 VanDerWaalsContact OG1-N 3.13Å
106G92.1Very high94.7Very high0 Ų013.9 Ų13.90%07%0.073CC..SBendtrans-80.8151.6176.100000113.2R78 W81R78-G106 PolarHBondContact NE-O 3Å; R78-G106 PolarHBondContact NH2-O 3.2Å; W81-G106 WeakPolarHBondContact CH2-O 3.29Å
107P95.7Very high95Very high0 Ų013.3 Ų13.30%07%0.07CC..  trans-53.4159.4177.4-2533.4000114.2K71 W241 S242 L262K71-P107 HydrophobicContact CB-CB 3.98Å; K71-P107 HydrophobicContact CB-CG 4.02Å; K71-P107 WeakPolarHBondContact CD-O 3.46Å; K71-P107 WeakPolarHBondContact CE-O 3.42Å; K71-P107 HydrophobicContact CG-CB 4.15Å; P107-W241 HydrophobicContact CB-CZ2 4.13Å; P107-W241 HydrophobicContact CG-CZ2 4Å; P107-S242 WeakPolarHBondContact CD-OG 3.19Å; P107-L262 HydrophobicContact CG-CD1 4.25Å
108G94.9Very high95.2Very high0 Ų09 Ų90%05%0.051CC..SBendtrans-80-25.9-173.100000115.9G76 P110 H162 Q166G76-G108 PolarHBondContact O-N 3.43Å; G108-P110 CarbonylContact O-C 3.49Å; G108-H162 PolarHBondContact O-CE1 2.71Å; G108-H162 PolarHBondContact O-ND1 2.71Å; G108-Q166 VanDerWaalsContact O-CD 3.31Å; G108-Q166 PolarHBondContact O-OE1 2.81Å
109S96.9Very high95.4Very high10 Ų108 Ų87%0.075%0.046CC..SBendtrans-112.2127.4-173.7-62.20000112.5K71 Q166K71-S109 WeakPolarHBondContact CA-O 3.42Å; K71-S109 VanDerWaalsContact CG-O 3.26Å; K71-S109 WeakPolarHBondContact CG-O 3.39Å; S109-Q166 WeakPolarHBondContact OG-CG 3.44Å; S109-Q166 PolarHBondContact OG-NE2 3.21Å
110P98Very high95.5Very high0 Ų07.4 Ų7.40%04%0.044CC..SBendcis-83.4168.9-13.327.7-21.6000112.5N67 L70 K71 G108 G112 M115 L169N67-P110 WeakPolarHBondContact ND2-CG 3.31Å; N67-P110 PolarHBondContact ND2-O 3.01Å; L70-P110 HydrophobicContact CB-CG 4.3Å; L70-P110 HydrophobicContact CD1-CG 4.16Å; K71-P110 WeakPolarHBondContact CE-O 3.29Å; G108-P110 CarbonylContact O-C 3.49Å; P110-G112 PolarHBondContact O-N 2.9Å; P110-G112 VanDerWaalsContact O-N 3.13Å; P110-M115 HydrophobicContact CG-SD 4.28Å; P110-L169 HydrophobicContact CB-CB 4.19Å; P110-L169 HydrophobicContact CB-CD2 4.03Å; P110-L169 HydrophobicContact CB-CG 3.96Å
111S98.1Very high95.8Very high0 Ų06.4 Ų6.40%04%0.035CC..  trans-66112.6175.6-174.30000112H113 C114 M115 H162 Q166S111-H113 VanDerWaalsContact C-N 3.35Å; S111-H113 PolarHBondContact O-N 2.97Å; S111-C114 PolarHBondContact O-N 2.95Å; S111-M115 WeakPolarHBondContact O-CB 3.44Å; S111-M115 PolarHBondContact O-N 3.44Å; S111-H162 PolarHBondContact OG-CD2 3.27Å; S111-H162 VanDerWaalsContact OG-CD2 3.27Å; S111-H162 PolarHBondContact OG-NE2 3.32Å; S111-Q166 PolarHBondContact N-O 3.04Å
112G97.2Very high95.9Very high4 Ų45.6 Ų5.64%0.0413%0.032CC..Hα-helixtrans-66.3-34.1178.400000113.4N67 P110 C114 M115 V116N67-G112 WeakPolarHBondContact ND2-CA 3.37Å; N67-G112 PolarHBondContact ND2-N 3.45Å; N67-G112 WeakPolarHBondContact OD1-CA 3.35Å; P110-G112 PolarHBondContact O-N 2.9Å; P110-G112 VanDerWaalsContact O-N 3.13Å; G112-C114 PolarHBondContact O-N 3.34Å; G112-M115 PolarHBondContact O-N 3.11Å; G112-V116 WeakPolarHBondContact O-CB 3.36Å; G112-V116 WeakPolarHBondContact O-CG2 3.44Å; G112-V116 PolarHBondContact O-N 3.09Å
113H97.4Very high95.8Very high19 Ų195.8 Ų5.89%0.0883%0.033CC..Hα-helixtrans-60.6-46.3175.9-77.664.1000111.4S29 G32 S33 E104 S111 S117 R156S29-H113 PolarHBondContact O-CD2 3.09Å; G32-H113 WeakPolarHBondContact O-CA 3.03Å; G32-H113 WeakPolarHBondContact O-CB 3.41Å; G32-H113 PolarHBondContact O-CD2 3.32Å; G32-H113 VanDerWaalsContact O-CD2 3.3Å; S33-H113 VanDerWaalsContact CA-CD2 3.47Å; S33-H113 WeakPolarHBondContact CA-CD2 3.34Å; E104-H113 IonicContact OE1-CE1 3.89Å; E104-H113 PolarHBondContact OE1-CE1 3.19Å; E104-H113 IonicContact OE1-ND1 3.08Å; E104-H113 IonicContact OE1-NE2 3.65Å; S111-H113 VanDerWaalsContact C-N 3.35Å; S111-H113 PolarHBondContact O-N 2.97Å; H113-S117 WeakPolarHBondContact O-CB 3.37Å; H113-S117 PolarHBondContact O-N 2.96Å; H113-S117 PolarHBondContact O-OG 3.18Å; H113-R156 HydrophobicContact CB-CG 4.02Å; H113-R156 PolarHBondContact NE2-NH1 2.89Å
114C98.5Very high95.9Very high0 Ų07 Ų70%04%0.039CC..Hα-helixtrans-66-50.4176-62.60000111S111 G112 V118 L171S111-C114 PolarHBondContact O-N 2.95Å; G112-C114 PolarHBondContact O-N 3.34Å; C114-V118 WeakPolarHBondContact O-CB 3.42Å; C114-V118 WeakPolarHBondContact O-CG2 3.46Å; C114-V118 PolarHBondContact O-N 3.04Å; C114-L171 HydrophobicContact CB-CD2 3.96Å; C114-L171 HydrophobicContact CB-CG 4.18Å
115M98.4Very high96Very high2 Ų27.4 Ų7.41%0.014%0.041CC..Hα-helixtrans-61.1-50.9-174.7-175.8170.5-179.500112.8A63 L66 N67 P110 S111 G112 A119 G170 S173 G174 V177A63-M115 HydrophobicContact CB-CE 4.44Å; A63-M115 HydrophobicContact CB-CG 4.2Å; A63-M115 WeakPolarHBondContact O-CE 3.17Å; L66-M115 HydrophobicContact CB-CE 3.71Å; L66-M115 HydrophobicContact CD1-CE 4.49Å; N67-M115 HydrophobicContact CB-SD 3.78Å; P110-M115 HydrophobicContact CG-SD 4.28Å; S111-M115 WeakPolarHBondContact O-CB 3.44Å; S111-M115 PolarHBondContact O-N 3.44Å; G112-M115 PolarHBondContact O-N 3.11Å; M115-A119 WeakPolarHBondContact O-CB 3.46Å; M115-A119 PolarHBondContact O-N 3.32Å; M115-G170 WeakPolarHBondContact CA-O 3.2Å; M115-G170 WeakPolarHBondContact CB-O 3.38Å; M115-G170 PolarHBondContact N-O 3.06Å; M115-S173 VanDerWaalsContact CG-OG 3.28Å; M115-S173 WeakPolarHBondContact CG-OG 3.34Å; M115-S173 PolarHBondContact SD-OG 3.05Å; M115-G174 WeakPolarHBondContact O-CA 3.21Å; M115-V177 HydrophobicContact CE-CG2 4.17Å
116V98.3Very high95.9Very high0 Ų08.8 Ų8.80%05%0.05CC..Hα-helixtrans-72.3-39.4-176.6-179.60000111.6P34 A37 A60 A63 D64 G112 A119 S120P34-V116 HydrophobicContact CB-CB 4.31Å; P34-V116 HydrophobicContact CB-CG1 4.07Å; P34-V116 HydrophobicContact CB-CG2 4.43Å; P34-V116 HydrophobicContact CG-CB 4.25Å; P34-V116 HydrophobicContact CG-CG2 4.27Å; A37-V116 HydrophobicContact CB-CG1 3.87Å; A60-V116 HydrophobicContact CB-CG1 4.13Å; A63-V116 HydrophobicContact CB-CG2 4.29Å; D64-V116 HydrophobicContact CB-CG2 3.79Å; G112-V116 WeakPolarHBondContact O-CB 3.36Å; G112-V116 WeakPolarHBondContact O-CG2 3.44Å; G112-V116 PolarHBondContact O-N 3.09Å; V116-A119 PolarHBondContact O-N 3.49Å; V116-S120 VanDerWaalsContact O-CB 3.29Å; V116-S120 WeakPolarHBondContact O-CB 3.4Å; V116-S120 PolarHBondContact O-N 3.26Å; V116-S120 PolarHBondContact O-OG 2.88Å
117S98Very high95.7Very high7 Ų711 Ų115%0.0496%0.058CC..Hα-helixtrans-62.8-46.6177.5-64.70000111.7G32 H113 S120 L121G32-S117 VanDerWaalsContact C-OG 3.26Å; G32-S117 WeakPolarHBondContact CA-OG 3.26Å; G32-S117 PolarHBondContact O-OG 2.98Å; H113-S117 WeakPolarHBondContact O-CB 3.37Å; H113-S117 PolarHBondContact O-N 2.96Å; H113-S117 PolarHBondContact O-OG 3.18Å; S117-S120 PolarHBondContact O-OG 3.33Å; S117-S120 VanDerWaalsContact O-OG 3.11Å; S117-L121 WeakPolarHBondContact O-CB 3.29Å; S117-L121 WeakPolarHBondContact O-CG 3.48Å; S117-L121 PolarHBondContact O-N 3.49Å
118V97.9Very high95.5Very high2 Ų215 Ų151%0.0128%0.076CC..Hα-helixtrans-65.8-47.3178174.90000111.1C114 S120 L121 T122 F149 L171 I175C114-V118 WeakPolarHBondContact O-CB 3.42Å; C114-V118 WeakPolarHBondContact O-CG2 3.46Å; C114-V118 PolarHBondContact O-N 3.04Å; V118-S120 PolarHBondContact O-N 2.9Å; V118-L121 PolarHBondContact O-N 3.37Å; V118-T122 WeakPolarHBondContact O-CB 3.16Å; V118-T122 PolarHBondContact O-N 3.04Å; V118-T122 PolarHBondContact O-OG1 3.4Å; V118-F149 HydrophobicContact CB-CE1 4.31Å; V118-F149 HydrophobicContact CB-CE2 4.47Å; V118-F149 HydrophobicContact CB-CZ 4.25Å; V118-F149 HydrophobicContact CG1-CD2 4.46Å; V118-F149 HydrophobicContact CG1-CE2 4.02Å; V118-F149 HydrophobicContact CG1-CZ 4.14Å; V118-F149 HydrophobicContact CG2-CB 4.26Å; V118-F149 HydrophobicContact CG2-CD1 3.64Å; V118-F149 HydrophobicContact CG2-CD2 3.89Å; V118-F149 HydrophobicContact CG2-CE1 3.84Å; V118-F149 HydrophobicContact CG2-CE2 4.08Å; V118-F149 HydrophobicContact CG2-CG 3.67Å; V118-F149 HydrophobicContact CG2-CZ 4.05Å; V118-L171 HydrophobicContact CG2-CD2 3.6Å; V118-I175 HydrophobicContact CG1-CB 4.35Å; V118-I175 HydrophobicContact CG1-CG1 3.58Å
119A97.3Very high95.3Very high0 Ų017.6 Ų17.60%09%0.086CC..Hα-helixtrans-59-47-179.900000111.4C59 A63 M115 V116 P123 G174 V177C59-A119 PolarHBondContact SG-O 3.03Å; A63-A119 HydrophobicContact CB-CB 3.41Å; A63-A119 VanDerWaalsContact CB-CB 3.41Å; M115-A119 WeakPolarHBondContact O-CB 3.46Å; M115-A119 PolarHBondContact O-N 3.32Å; V116-A119 PolarHBondContact O-N 3.49Å; A119-P123 WeakPolarHBondContact O-CD 3.38Å; A119-G174 WeakPolarHBondContact CA-O 3.45Å; A119-V177 HydrophobicContact CB-CB 4.26Å; A119-V177 HydrophobicContact CB-CG1 4.15Å
120S96.7Very high94.8Very high1 Ų122.2 Ų22.21%0.00711%0.107CC..Hα-helixtrans-68.5-35.7-179.962.10000113.9T56 V116 S117 V118T56-S120 WeakPolarHBondContact CG2-O 3.46Å; V116-S120 VanDerWaalsContact O-CB 3.29Å; V116-S120 WeakPolarHBondContact O-CB 3.4Å; V116-S120 PolarHBondContact O-N 3.26Å; V116-S120 PolarHBondContact O-OG 2.88Å; S117-S120 PolarHBondContact O-OG 3.33Å; S117-S120 VanDerWaalsContact O-OG 3.11Å; V118-S120 PolarHBondContact O-N 2.9Å
121L96.7Very high94.3Very high47 Ų4728.8 Ų28.825%0.24613%0.131CC..Hα-helixtrans-79.6-24.3179.4-73.6168.9000113.2T41 S117 V118 I124 I125 F149T41-L121 HydrophobicContact CG2-CD2 3.77Å; T41-L121 HydrophobicContact CG2-CG 4.35Å; S117-L121 WeakPolarHBondContact O-CB 3.29Å; S117-L121 WeakPolarHBondContact O-CG 3.48Å; S117-L121 PolarHBondContact O-N 3.49Å; V118-L121 PolarHBondContact O-N 3.37Å; L121-I124 HydrophobicContact CD2-CD1 4.4Å; L121-I124 WeakPolarHBondContact O-CB 3.21Å; L121-I124 PolarHBondContact O-N 3.45Å; L121-I124 VanDerWaalsContact O-N 3.1Å; L121-I125 HydrophobicContact CB-CD1 4.09Å; L121-I125 VanDerWaalsContact O-CG1 3.29Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 2.77Å; L121-F149 HydrophobicContact CB-CE1 4.12Å; L121-F149 HydrophobicContact CB-CZ 4.14Å; L121-F149 HydrophobicContact CD1-CE1 3.79Å
122T94.5Very high94Very high12 Ų1231.2 Ų31.27%0.07414%0.144CC..Hα-helixtrans-58.1-48.1-176.7-63.10000113.2V118 I124 I125 T126 G178 L179V118-T122 WeakPolarHBondContact O-CB 3.16Å; V118-T122 PolarHBondContact O-N 3.04Å; V118-T122 PolarHBondContact O-OG1 3.4Å; T122-I124 PolarHBondContact O-N 2.98Å; T122-I125 PolarHBondContact O-N 2.87Å; T122-T126 HydrophobicContact CG2-CG2 4.27Å; T122-T126 WeakPolarHBondContact O-CG2 3.4Å; T122-T126 PolarHBondContact O-N 3.42Å; T122-T126 PolarHBondContact O-OG1 2.95Å; T122-T126 VanDerWaalsContact O-OG1 3.11Å; T122-G178 VanDerWaalsContact CG2-C 3.45Å; T122-L179 HydrophobicContact CG2-CD2 4.19Å
123P90.8Very high93.7Very high4 Ų440.5 Ų40.53%0.02618%0.183CC..Hα-helixtrans-55.8-36.3174.2-27.835000114.1L52 T55 C59 A119 T126 Y127L52-P123 HydrophobicContact CD1-CB 4.15Å; L52-P123 WeakPolarHBondContact CD1-O 3.36Å; T55-P123 HydrophobicContact CG2-CB 3.86Å; T55-P123 HydrophobicContact CG2-CG 3.92Å; C59-P123 HydrophobicContact CB-CG 4.22Å; A119-P123 WeakPolarHBondContact O-CD 3.38Å; P123-T126 WeakPolarHBondContact CA-OG1 3.48Å; P123-T126 PolarHBondContact O-OG1 3.42Å; P123-T126 VanDerWaalsContact O-OG1 3.05Å; P123-Y127 WeakPolarHBondContact O-CB 3.48Å; P123-Y127 PolarHBondContact O-N 2.83Å
124I92.9Very high93.6Very high25 Ų2542.8 Ų42.813%0.12820%0.196CC..Hα-helixtrans-71.7-45.4178.9-59175.8000110.1T41 A45 L52 T56 L121 T122 T126 Y127 F128T41-I124 HydrophobicContact CG2-CD1 3.52Å; A45-I124 HydrophobicContact CB-CD1 3.88Å; A45-I124 HydrophobicContact CB-CG1 4.12Å; L52-I124 HydrophobicContact CD1-CG1 4.31Å; L52-I124 HydrophobicContact CD2-CG1 4.44Å; L52-I124 HydrophobicContact CG-CG1 4.43Å; T56-I124 HydrophobicContact CG2-CD1 4.31Å; L121-I124 HydrophobicContact CD2-CD1 4.4Å; L121-I124 WeakPolarHBondContact O-CB 3.21Å; L121-I124 PolarHBondContact O-N 3.45Å; L121-I124 VanDerWaalsContact O-N 3.1Å; T122-I124 PolarHBondContact O-N 2.98Å; I124-T126 VanDerWaalsContact C-N 3.35Å; I124-T126 PolarHBondContact O-N 3.4Å; I124-Y127 WeakPolarHBondContact O-CB 3.31Å; I124-Y127 PolarHBondContact O-N 3.41Å; I124-F128 HydrophobicContact CG2-CD2 3.69Å; I124-F128 HydrophobicContact CG2-CE2 3.61Å; I124-F128 VanDerWaalsContact O-CD2 3.26Å; I124-F128 WeakPolarHBondContact O-CD2 3.4Å; I124-F128 PolarHBondContact O-N 3.46Å
125I93.9Very high93.3Very high23 Ų2351.8 Ų51.812%0.11823%0.23CC..Hα-helixtrans-59.1-47.8177.3-67.1160.8000109.9L121 T122 F128 Y129 L141 I142 S145 F149L121-I125 HydrophobicContact CB-CD1 4.09Å; L121-I125 VanDerWaalsContact O-CG1 3.29Å; L121-I125 WeakPolarHBondContact O-CG1 3.45Å; L121-I125 PolarHBondContact O-N 2.77Å; T122-I125 PolarHBondContact O-N 2.87Å; I125-F128 PolarHBondContact O-N 3.17Å; I125-Y129 WeakPolarHBondContact O-CB 3.39Å; I125-Y129 PolarHBondContact O-N 2.92Å; I125-L141 HydrophobicContact CG2-CD2 4.31Å; I125-L141 HydrophobicContact CG2-CG 4.32Å; I125-I142 HydrophobicContact CG2-CD1 4.1Å; I125-S145 WeakPolarHBondContact CD1-OG 3.37Å; I125-F149 HydrophobicContact CD1-CE2 4.17Å; I125-F149 HydrophobicContact CD1-CZ 3.68Å
126T89.5Confident93.2Very high29 Ų2956.6 Ų56.618%0.17826%0.256CS..Hα-helixtrans-66.3-41.4179.256.40000111.6T122 P123 I124 F128 Y129 H130 S182T122-T126 HydrophobicContact CG2-CG2 4.27Å; T122-T126 WeakPolarHBondContact O-CG2 3.4Å; T122-T126 PolarHBondContact O-N 3.42Å; T122-T126 PolarHBondContact O-OG1 2.95Å; T122-T126 VanDerWaalsContact O-OG1 3.11Å; P123-T126 WeakPolarHBondContact CA-OG1 3.48Å; P123-T126 PolarHBondContact O-OG1 3.42Å; P123-T126 VanDerWaalsContact O-OG1 3.05Å; I124-T126 VanDerWaalsContact C-N 3.35Å; I124-T126 PolarHBondContact O-N 3.4Å; T126-F128 VanDerWaalsContact C-N 3.35Å; T126-F128 PolarHBondContact O-N 2.92Å; T126-Y129 PolarHBondContact O-N 3.03Å; T126-H130 PolarHBondContact O-CD2 2.82Å; T126-H130 PolarHBondContact O-N 3.11Å; T126-H130 VanDerWaalsContact O-N 3.13Å; T126-S182 PolarHBondContact OG1-OG 2.87Å; T126-S182 VanDerWaalsContact OG1-OG 3.09Å
127Y88.1Confident93.1Very high45 Ų4561.6 Ų61.618%0.17628%0.279CS..Hα-helixtrans-55.7-45.2175.6178.8-83.1000113.1I48 D49 L52 P123 I124 R131I48-Y127 HydrophobicContact CG2-CE1 4.11Å; D49-Y127 HydrophobicContact CB-CE2 4.13Å; L52-Y127 HydrophobicContact CB-CD2 4.3Å; L52-Y127 HydrophobicContact CB-CE2 4.38Å; L52-Y127 HydrophobicContact CD1-CD2 3.97Å; L52-Y127 HydrophobicContact CD1-CG 4.03Å; L52-Y127 HydrophobicContact CD2-CD1 3.9Å; L52-Y127 HydrophobicContact CD2-CD2 3.89Å; L52-Y127 HydrophobicContact CD2-CE1 4.22Å; L52-Y127 HydrophobicContact CD2-CE2 4.16Å; L52-Y127 HydrophobicContact CD2-CG 3.74Å; L52-Y127 HydrophobicContact CG-CD2 4.26Å; L52-Y127 HydrophobicContact CG-CG 4.42Å; P123-Y127 WeakPolarHBondContact O-CB 3.48Å; P123-Y127 PolarHBondContact O-N 2.83Å; I124-Y127 WeakPolarHBondContact O-CB 3.31Å; I124-Y127 PolarHBondContact O-N 3.41Å; Y127-R131 VanDerWaalsContact CE1-CZ 3.44Å; Y127-R131 PolarHBondContact O-NH1 3.43Å; Y127-R131 VanDerWaalsContact OH-CZ 3.31Å; Y127-R131 PolarHBondContact OH-NH2 3.4Å; Y127-R131 VanDerWaalsContact OH-NH2 3.11Å
128F91Very high92.9Very high84 Ų8462 Ų6237%0.36828%0.28SS..Hα-helixtrans-77.2-39.7177.7-76.1-64000112.3I48 I124 I125 T126 H130 R131 L132 L141I48-F128 HydrophobicContact CD1-CE2 4.47Å; I48-F128 HydrophobicContact CD1-CZ 4.08Å; I124-F128 HydrophobicContact CG2-CD2 3.69Å; I124-F128 HydrophobicContact CG2-CE2 3.61Å; I124-F128 VanDerWaalsContact O-CD2 3.26Å; I124-F128 WeakPolarHBondContact O-CD2 3.4Å; I124-F128 PolarHBondContact O-N 3.46Å; I125-F128 PolarHBondContact O-N 3.17Å; T126-F128 VanDerWaalsContact C-N 3.35Å; T126-F128 PolarHBondContact O-N 2.92Å; F128-H130 VanDerWaalsContact C-N 3.27Å; F128-H130 PolarHBondContact O-N 3.16Å; F128-R131 PolarHBondContact O-N 2.96Å; F128-L132 WeakPolarHBondContact O-CG 3.22Å; F128-L132 PolarHBondContact O-N 2.93Å; F128-L141 HydrophobicContact CB-CD2 4.05Å
129Y91.1Very high92.8Very high56 Ų5670 Ų7022%0.2231%0.31CS..Hα-helixtrans-53.2-44.4178.4-180-92000112.3I125 T126 R131 L132 Q138 I142I125-Y129 WeakPolarHBondContact O-CB 3.39Å; I125-Y129 PolarHBondContact O-N 2.92Å; T126-Y129 PolarHBondContact O-N 3.03Å; Y129-R131 VanDerWaalsContact C-N 3.32Å; Y129-R131 PolarHBondContact O-N 3.42Å; Y129-L132 PolarHBondContact O-N 3Å; Y129-Q138 HydrophobicContact CD2-CB 3.86Å; Y129-Q138 HydrophobicContact CD2-CG 3.91Å; Y129-Q138 HydrophobicContact CE2-CB 3.55Å; Y129-Q138 HydrophobicContact CE2-CG 3.85Å; Y129-Q138 HydrophobicContact CG-CG 4.46Å; Y129-Q138 PolarHBondContact O-NE2 2.87Å; Y129-I142 HydrophobicContact CD2-CD1 4.22Å; Y129-I142 HydrophobicContact CD2-CG1 4.23Å; Y129-I142 HydrophobicContact CE2-CD1 4.49Å; Y129-I142 HydrophobicContact CE2-CG1 4.19Å
130H87.5Confident92.8Very high107 Ų10773.9 Ų73.950%0.49534%0.336SS..Hα-helixtrans-71.5-22.5178.7-72-62.1000114.1T126 F128 G186T126-H130 PolarHBondContact O-CD2 2.82Å; T126-H130 PolarHBondContact O-N 3.11Å; T126-H130 VanDerWaalsContact O-N 3.13Å; F128-H130 VanDerWaalsContact C-N 3.27Å; F128-H130 PolarHBondContact O-N 3.16Å; H130-G186 PolarHBondContact CE1-O 3.13Å
131R87.7Confident92.8Very high137 Ų13775.7 Ų75.752%0.51735%0.346SS..Hα-helixtrans-86.2-24.4177.2-74.3176.3169.671.90.2113.1Y127 F128 Y129 K133Y127-R131 VanDerWaalsContact CE1-CZ 3.44Å; Y127-R131 PolarHBondContact O-NH1 3.43Å; Y127-R131 VanDerWaalsContact OH-CZ 3.31Å; Y127-R131 PolarHBondContact OH-NH2 3.4Å; Y127-R131 VanDerWaalsContact OH-NH2 3.11Å; F128-R131 PolarHBondContact O-N 2.96Å; Y129-R131 VanDerWaalsContact C-N 3.32Å; Y129-R131 PolarHBondContact O-N 3.42Å; R131-K133 PolarHBondContact O-N 2.87Å
132L90.2Very high92.7Very high51 Ų5175.7 Ų75.727%0.26735%0.345SS..  trans-70.4119175.6-67.8172.3000110.3F128 Y129 H137 Q138 L141F128-L132 WeakPolarHBondContact O-CG 3.22Å; F128-L132 PolarHBondContact O-N 2.93Å; Y129-L132 PolarHBondContact O-N 3Å; L132-H137 HydrophobicContact CD1-CB 4.09Å; L132-H137 HydrophobicContact CD2-CB 4.05Å; L132-H137 HydrophobicContact CG-CB 4.46Å; L132-Q138 HydrophobicContact CB-CG 3.78Å; L132-Q138 HydrophobicContact CD1-CG 4.45Å; L132-Q138 PolarHBondContact O-NE2 3.23Å; L132-L141 HydrophobicContact CD1-CB 4.3Å; L132-L141 HydrophobicContact CD1-CD2 4Å
133K91.8Very high92.9Very high199 Ų19979 Ų7987%0.86537%0.366SS*.  trans-78-33.3176.5-64.5-177.8-179.6179.70112.6R131R131-K133 PolarHBondContact O-N 2.87Å
134N94.3Very high93.2Very high67 Ų6783.6 Ų83.636%0.35839%0.39SS..  trans-85.8123.8-176-174-10.1000111.4N136 H137 Q138N134-N136 PolarHBondContact O-N 3.41Å; N134-N136 PolarHBondContact OD1-N 3.29Å; N134-H137 HydrophobicContact CB-CB 4.31Å; N134-H137 PolarHBondContact O-N 2.95Å; N134-H137 VanDerWaalsContact O-N 3.14Å; N134-Q138 PolarHBondContact O-N 3.34Å; N134-Q138 VanDerWaalsContact O-N 3.09Å
135R93.4Very high93.4Very high189 Ų18983.1 Ų83.171%0.71339%0.389SS*.Hα-helixtrans-59.9-31.4176.9-71.1-172.3176.6-178.2-0.2113.2Q138 R139R135-Q138 WeakPolarHBondContact O-CB 3.06Å; R135-Q138 PolarHBondContact O-N 3.17Å; R135-R139 WeakPolarHBondContact O-CG 3.36Å; R135-R139 PolarHBondContact O-N 2.92Å
136N96.4Very high93.6Very high103 Ų10385.9 Ų85.955%0.55141%0.409SS*.Hα-helixtrans-68.1-39.5176.9-69.9-12000111.4N134 R139 C140N134-N136 PolarHBondContact O-N 3.41Å; N134-N136 PolarHBondContact OD1-N 3.29Å; N136-R139 PolarHBondContact O-N 2.99Å; N136-C140 WeakPolarHBondContact O-CB 3.48Å; N136-C140 PolarHBondContact O-N 3.24Å
137H95.5Very high94Very high106 Ų10689.5 Ų89.549%0.49143%0.427SS..Hα-helixtrans-67.8-38.3175.1-59.9165.9000111.5L132 N134 C140 L141L132-H137 HydrophobicContact CD1-CB 4.09Å; L132-H137 HydrophobicContact CD2-CB 4.05Å; L132-H137 HydrophobicContact CG-CB 4.46Å; N134-H137 HydrophobicContact CB-CB 4.31Å; N134-H137 PolarHBondContact O-N 2.95Å; N134-H137 VanDerWaalsContact O-N 3.14Å; H137-C140 PolarHBondContact O-N 3.24Å; H137-L141 WeakPolarHBondContact O-CB 3.44Å; H137-L141 PolarHBondContact O-N 3.05Å
138Q94Very high94.4Very high16 Ų1690 Ų908%0.07543%0.434CS..Hα-helixtrans-59.5-47.9172.9-74.7-178-34.600111.7Y129 L132 N134 R135 L141 I142Y129-Q138 HydrophobicContact CD2-CB 3.86Å; Y129-Q138 HydrophobicContact CD2-CG 3.91Å; Y129-Q138 HydrophobicContact CE2-CB 3.55Å; Y129-Q138 HydrophobicContact CE2-CG 3.85Å; Y129-Q138 HydrophobicContact CG-CG 4.46Å; Y129-Q138 PolarHBondContact O-NE2 2.87Å; L132-Q138 HydrophobicContact CB-CG 3.78Å; L132-Q138 HydrophobicContact CD1-CG 4.45Å; L132-Q138 PolarHBondContact O-NE2 3.23Å; N134-Q138 PolarHBondContact O-N 3.34Å; N134-Q138 VanDerWaalsContact O-N 3.09Å; R135-Q138 WeakPolarHBondContact O-CB 3.06Å; R135-Q138 PolarHBondContact O-N 3.17Å; Q138-L141 PolarHBondContact O-N 3.27Å; Q138-I142 WeakPolarHBondContact O-CG1 3.21Å; Q138-I142 PolarHBondContact O-N 3.32Å; Q138-I142 VanDerWaalsContact O-N 3.12Å
139R95.8Very high94.7Very high169 Ų16987.1 Ų87.164%0.63842%0.421SS*.Hα-helixtrans-60.1-46.2174.8-73.8175.3178.9175.8-2.7111.6R135 N136 L141 I142 T143R135-R139 WeakPolarHBondContact O-CG 3.36Å; R135-R139 PolarHBondContact O-N 2.92Å; N136-R139 PolarHBondContact O-N 2.99Å; R139-L141 VanDerWaalsContact C-N 3.31Å; R139-L141 PolarHBondContact O-N 3.05Å; R139-I142 PolarHBondContact O-N 3.42Å; R139-T143 PolarHBondContact O-N 3.3Å; R139-T143 PolarHBondContact O-OG1 3.43Å; R139-T143 VanDerWaalsContact O-OG1 3.05Å
140C97.4Very high95.1Very high82 Ų8285.7 Ų85.755%0.55442%0.424SS*.Hα-helixtrans-57.5-43.2177.3-172.90000112.2N136 H137 T143 L144N136-C140 WeakPolarHBondContact O-CB 3.48Å; N136-C140 PolarHBondContact O-N 3.24Å; H137-C140 PolarHBondContact O-N 3.24Å; C140-T143 PolarHBondContact O-N 2.94Å; C140-L144 WeakPolarHBondContact O-CB 3.05Å; C140-L144 PolarHBondContact O-N 2.85Å
141L95.8Very high95.6Very high38 Ų3884.3 Ų84.320%0.19942%0.42CS..Hα-helixtrans-61.1-45.5176.9177.363.7000111.7I125 F128 L132 H137 Q138 R139 S145I125-L141 HydrophobicContact CG2-CD2 4.31Å; I125-L141 HydrophobicContact CG2-CG 4.32Å; F128-L141 HydrophobicContact CB-CD2 4.05Å; L132-L141 HydrophobicContact CD1-CB 4.3Å; L132-L141 HydrophobicContact CD1-CD2 4Å; H137-L141 WeakPolarHBondContact O-CB 3.44Å; H137-L141 PolarHBondContact O-N 3.05Å; Q138-L141 PolarHBondContact O-N 3.27Å; R139-L141 VanDerWaalsContact C-N 3.31Å; R139-L141 PolarHBondContact O-N 3.05Å; L141-S145 WeakPolarHBondContact O-CB 3.28Å; L141-S145 PolarHBondContact O-N 3.16Å; L141-S145 PolarHBondContact O-OG 2.98Å
142I96.4Very high96.1Very high47 Ų4778.1 Ų78.124%0.24140%0.397CS..Hα-helixtrans-65.3-46.5177.8-63.2-58.5000110.7I125 Y129 Q138 R139 L144 S145 C146 F187I125-I142 HydrophobicContact CG2-CD1 4.1Å; Y129-I142 HydrophobicContact CD2-CD1 4.22Å; Y129-I142 HydrophobicContact CD2-CG1 4.23Å; Y129-I142 HydrophobicContact CE2-CD1 4.49Å; Y129-I142 HydrophobicContact CE2-CG1 4.19Å; Q138-I142 WeakPolarHBondContact O-CG1 3.21Å; Q138-I142 PolarHBondContact O-N 3.32Å; Q138-I142 VanDerWaalsContact O-N 3.12Å; R139-I142 PolarHBondContact O-N 3.42Å; I142-L144 PolarHBondContact O-N 3.13Å; I142-S145 WeakPolarHBondContact O-CB 3.38Å; I142-S145 PolarHBondContact O-N 2.86Å; I142-C146 PolarHBondContact O-N 3.18Å; I142-C146 PolarHBondContact O-SG 2.87Å; I142-C146 VanDerWaalsContact O-SG 3.34Å; I142-F187 HydrophobicContact CD1-CE2 4.13Å
143T97.7Very high96.5Very high82 Ų8276.1 Ų76.150%0.50339%0.388SS..Hα-helixtrans-58.8-46.7177.6-58.50000111.4R139 C140 S145 C146 L147R139-T143 PolarHBondContact O-N 3.3Å; R139-T143 PolarHBondContact O-OG1 3.43Å; R139-T143 VanDerWaalsContact O-OG1 3.05Å; C140-T143 PolarHBondContact O-N 2.94Å; T143-S145 VanDerWaalsContact C-N 3.33Å; T143-S145 PolarHBondContact O-N 3.38Å; T143-C146 PolarHBondContact O-N 2.91Å; T143-L147 HydrophobicContact CG2-CD1 4.34Å; T143-L147 WeakPolarHBondContact O-CG 3.35Å; T143-L147 PolarHBondContact O-N 3.02Å
144L97.3Very high96.7Very high101 Ų10170.1 Ų70.153%0.52936%0.364SS..Hα-helixtrans-62-41.5177.2-176.862.7000111.8C140 I142 L147 V148C140-L144 WeakPolarHBondContact O-CB 3.05Å; C140-L144 PolarHBondContact O-N 2.85Å; I142-L144 PolarHBondContact O-N 3.13Å; L144-L147 PolarHBondContact O-N 3.14Å; L144-V148 WeakPolarHBondContact O-CG2 3.3Å; L144-V148 PolarHBondContact O-N 3.37Å
145S96.5Very high96.9Very high15 Ų1566.9 Ų66.911%0.10535%0.347CS..Hα-helixtrans-62-45.4176.9-56.20000111.6I125 L141 I142 T143 L147 V148 F149I125-S145 WeakPolarHBondContact CD1-OG 3.37Å; L141-S145 WeakPolarHBondContact O-CB 3.28Å; L141-S145 PolarHBondContact O-N 3.16Å; L141-S145 PolarHBondContact O-OG 2.98Å; I142-S145 WeakPolarHBondContact O-CB 3.38Å; I142-S145 PolarHBondContact O-N 2.86Å; T143-S145 VanDerWaalsContact C-N 3.33Å; T143-S145 PolarHBondContact O-N 3.38Å; S145-L147 VanDerWaalsContact C-N 3.33Å; S145-L147 PolarHBondContact O-N 3.19Å; S145-V148 PolarHBondContact O-N 3Å; S145-F149 VanDerWaalsContact O-CD2 3.3Å; S145-F149 WeakPolarHBondContact O-CD2 3.25Å; S145-F149 WeakPolarHBondContact O-CG 3.44Å; S145-F149 PolarHBondContact O-N 2.97Å
146C97.6Very high97.2Very high81 Ų8157.9 Ų57.955%0.54731%0.313SS..Hα-helixtrans-60.9-40.5175.1-68.80000112.3I142 T143 F149 G150I142-C146 PolarHBondContact O-N 3.18Å; I142-C146 PolarHBondContact O-SG 2.87Å; I142-C146 VanDerWaalsContact O-SG 3.34Å; T143-C146 PolarHBondContact O-N 2.91Å; C146-F149 PolarHBondContact O-N 3.16Å; C146-G150 PolarHBondContact O-N 3.45Å
147L97.8Very high97.2Very high104 Ų10453.1 Ų53.155%0.54529%0.288SS..Hα-helixtrans-63.9-45.8176.2-71.7173.6000111.7T143 L144 S145 F149 G150 L151T143-L147 HydrophobicContact CG2-CD1 4.34Å; T143-L147 WeakPolarHBondContact O-CG 3.35Å; T143-L147 PolarHBondContact O-N 3.02Å; L144-L147 PolarHBondContact O-N 3.14Å; S145-L147 VanDerWaalsContact C-N 3.33Å; S145-L147 PolarHBondContact O-N 3.19Å; L147-F149 PolarHBondContact O-N 3.32Å; L147-G150 PolarHBondContact O-N 3.49Å; L147-L151 WeakPolarHBondContact O-CB 3.27Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 2.8Å
148V97.4Very high97.3Very high55 Ų5548.1 Ų48.133%0.33327%0.265SS..Hα-helixtrans-59.9-47.4176.8170.40000110.9L144 S145 G150 L151 I152L144-V148 WeakPolarHBondContact O-CG2 3.3Å; L144-V148 PolarHBondContact O-N 3.37Å; S145-V148 PolarHBondContact O-N 3Å; V148-G150 PolarHBondContact O-N 3.12Å; V148-L151 PolarHBondContact O-N 3.36Å; V148-I152 HydrophobicContact CG1-CD1 4.06Å; V148-I152 WeakPolarHBondContact O-CG1 3.46Å; V148-I152 PolarHBondContact O-N 3.39Å
149F98Very high97.5Very high24 Ų2447.3 Ų47.311%0.10526%0.261CS..Hα-helixtrans-65.1-39.2178.6-60.5-24000112.5V118 L121 I125 S145 C146 L147 I152 A153 L171V118-F149 HydrophobicContact CB-CE1 4.31Å; V118-F149 HydrophobicContact CB-CE2 4.47Å; V118-F149 HydrophobicContact CB-CZ 4.25Å; V118-F149 HydrophobicContact CG1-CD2 4.46Å; V118-F149 HydrophobicContact CG1-CE2 4.02Å; V118-F149 HydrophobicContact CG1-CZ 4.14Å; V118-F149 HydrophobicContact CG2-CB 4.26Å; V118-F149 HydrophobicContact CG2-CD1 3.64Å; V118-F149 HydrophobicContact CG2-CD2 3.89Å; V118-F149 HydrophobicContact CG2-CE1 3.84Å; V118-F149 HydrophobicContact CG2-CE2 4.08Å; V118-F149 HydrophobicContact CG2-CG 3.67Å; V118-F149 HydrophobicContact CG2-CZ 4.05Å; L121-F149 HydrophobicContact CB-CE1 4.12Å; L121-F149 HydrophobicContact CB-CZ 4.14Å; L121-F149 HydrophobicContact CD1-CE1 3.79Å; I125-F149 HydrophobicContact CD1-CE2 4.17Å; I125-F149 HydrophobicContact CD1-CZ 3.68Å; S145-F149 VanDerWaalsContact O-CD2 3.3Å; S145-F149 WeakPolarHBondContact O-CD2 3.25Å; S145-F149 WeakPolarHBondContact O-CG 3.44Å; S145-F149 PolarHBondContact O-N 2.97Å; C146-F149 PolarHBondContact O-N 3.16Å; L147-F149 PolarHBondContact O-N 3.32Å; F149-I152 PolarHBondContact O-N 3.37Å; F149-A153 WeakPolarHBondContact O-CB 3.49Å; F149-A153 PolarHBondContact O-N 3.28Å; F149-L171 HydrophobicContact CB-CD2 4.02Å
150G98.1Very high97.5Very high26 Ų2639.3 Ų39.327%0.26823%0.231SC..Hα-helixtrans-62.2-43.9174.100000112.4C146 L147 V148 A153 I154C146-G150 PolarHBondContact O-N 3.45Å; L147-G150 PolarHBondContact O-N 3.49Å; V148-G150 PolarHBondContact O-N 3.12Å; G150-A153 PolarHBondContact O-N 3.22Å; G150-I154 VanDerWaalsContact O-CG1 3.29Å; G150-I154 WeakPolarHBondContact O-CG1 3.29Å; G150-I154 PolarHBondContact O-N 3.4Å
151L98Very high97.4Very high78 Ų7835.4 Ų35.441%0.40820%0.204SC..Hα-helixtrans-62.5-42.8176.5-75.5172.1000112V28 L147 V148 I154 S155V28-L151 HydrophobicContact CG1-CB 4Å; V28-L151 WeakPolarHBondContact CG1-O 3.48Å; L147-L151 WeakPolarHBondContact O-CB 3.27Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.36Å; L147-L151 PolarHBondContact O-N 2.8Å; V148-L151 PolarHBondContact O-N 3.36Å; L151-I154 PolarHBondContact O-N 3.07Å; L151-S155 WeakPolarHBondContact O-CB 3.24Å; L151-S155 PolarHBondContact O-N 2.77Å
152I98.2Very high97.5Very high7 Ų733.6 Ų33.64%0.03620%0.195CC..Hα-helixtrans-62.6-45174.3-65167000110.3V28 V148 F149 I154 S155 R156V28-I152 HydrophobicContact CG1-CG1 4.17Å; V148-I152 HydrophobicContact CG1-CD1 4.06Å; V148-I152 WeakPolarHBondContact O-CG1 3.46Å; V148-I152 PolarHBondContact O-N 3.39Å; F149-I152 PolarHBondContact O-N 3.37Å; I152-I154 PolarHBondContact O-N 3.08Å; I152-S155 PolarHBondContact O-N 3.43Å; I152-S155 PolarHBondContact O-OG 2.95Å; I152-R156 WeakPolarHBondContact O-CG 3.26Å; I152-R156 PolarHBondContact O-N 2.86Å
153A98.5Very high97.6Very high9 Ų931.3 Ų31.37%0.07418%0.183CC..Hα-helixtrans-62.3-45.1179.300000112.4F149 G150 R156 C157 V167 L171F149-A153 WeakPolarHBondContact O-CB 3.49Å; F149-A153 PolarHBondContact O-N 3.28Å; G150-A153 PolarHBondContact O-N 3.22Å; A153-R156 PolarHBondContact O-N 3.19Å; A153-C157 PolarHBondContact O-N 3.39Å; A153-V167 HydrophobicContact CB-CB 4.09Å; A153-V167 HydrophobicContact CB-CG2 4.14Å; A153-L171 HydrophobicContact CB-CD1 4.04Å
154I98Very high97.6Very high73 Ų7329 Ų2937%0.37417%0.17SC..Hα-helixtrans-66.2-39.3178.5-65.2166.4000110.7F25 G150 L151 I152 R156 C157 Y158F25-I154 HydrophobicContact CE1-CB 4.29Å; F25-I154 HydrophobicContact CE1-CG2 3.66Å; F25-I154 HydrophobicContact CZ-CG2 3.67Å; G150-I154 VanDerWaalsContact O-CG1 3.29Å; G150-I154 WeakPolarHBondContact O-CG1 3.29Å; G150-I154 PolarHBondContact O-N 3.4Å; L151-I154 PolarHBondContact O-N 3.07Å; I152-I154 PolarHBondContact O-N 3.08Å; I154-R156 VanDerWaalsContact C-N 3.29Å; I154-R156 PolarHBondContact O-N 3.23Å; I154-C157 WeakPolarHBondContact O-CB 3.49Å; I154-C157 PolarHBondContact O-N 3.31Å; I154-C157 VanDerWaalsContact O-N 3.15Å; I154-Y158 PolarHBondContact O-N 3.08Å
155S98.2Very high97.6Very high0 Ų026.9 Ų26.90%016%0.157CC..Hα-helixtrans-60.8-39178.477.40000112.2F25 L151 I152 C157 Y158 L159F25-S155 WeakPolarHBondContact O-CB 3.48Å; L151-S155 WeakPolarHBondContact O-CB 3.24Å; L151-S155 PolarHBondContact O-N 2.77Å; I152-S155 PolarHBondContact O-N 3.43Å; I152-S155 PolarHBondContact O-OG 2.95Å; S155-C157 VanDerWaalsContact C-N 3.34Å; S155-C157 PolarHBondContact O-N 3.28Å; S155-Y158 PolarHBondContact O-N 2.98Å; S155-L159 VanDerWaalsContact O-CG 3.32Å; S155-L159 WeakPolarHBondContact O-CG 3.47Å; S155-L159 PolarHBondContact O-N 3.02Å
156R98Very high97.6Very high0 Ų026.1 Ų26.10%015%0.152CC..Hα-helixtrans-67.6-32.1177.1-65.4-45.4-67.8179.7-9.8113.3S29 E104 H113 I152 A153 I154 A161 H162 V167S29-R156 WeakPolarHBondContact OG-CD 3.43Å; S29-R156 PolarHBondContact OG-NH1 3.03Å; E104-R156 VanDerWaalsContact CD-NH2 3.28Å; E104-R156 IonicContact OE1-CZ 3.57Å; E104-R156 IonicContact OE1-NH1 2.59Å; E104-R156 IonicContact OE1-NH2 3.63Å; E104-R156 PolarHBondContact OE1-NH2 3.06Å; E104-R156 IonicContact OE2-NH2 2.76Å; E104-R156 PolarHBondContact OE2-NH2 2.95Å; H113-R156 HydrophobicContact CB-CG 4.02Å; H113-R156 PolarHBondContact NE2-NH1 2.89Å; I152-R156 WeakPolarHBondContact O-CG 3.26Å; I152-R156 PolarHBondContact O-N 2.86Å; A153-R156 PolarHBondContact O-N 3.19Å; I154-R156 VanDerWaalsContact C-N 3.29Å; I154-R156 PolarHBondContact O-N 3.23Å; R156-A161 PolarHBondContact O-N 3.08Å; R156-A161 VanDerWaalsContact O-N 3.11Å; R156-H162 PolarHBondContact O-N 3.35Å; R156-V167 HydrophobicContact CB-CG1 3.89Å
157C97.8Very high97.7Very high3 Ų322.6 Ų22.62%0.0213%0.128CC..Hα-helixtrans-71.4-46.6169.7-65.30000111F11 I12 I15 A153 I154 S155 L159 A160F11-C157 HydrophobicContact CD1-CB 4.47Å; F11-C157 HydrophobicContact CE1-CB 3.89Å; I12-C157 HydrophobicContact CG1-CB 4.45Å; I12-C157 WeakPolarHBondContact CG2-O 3.37Å; I15-C157 HydrophobicContact CD1-CB 3.68Å; A153-C157 PolarHBondContact O-N 3.39Å; I154-C157 WeakPolarHBondContact O-CB 3.49Å; I154-C157 PolarHBondContact O-N 3.31Å; I154-C157 VanDerWaalsContact O-N 3.15Å; S155-C157 VanDerWaalsContact C-N 3.34Å; S155-C157 PolarHBondContact O-N 3.28Å; C157-L159 VanDerWaalsContact C-N 3.29Å; C157-L159 PolarHBondContact O-N 2.8Å; C157-A160 WeakPolarHBondContact O-CA 3.44Å; C157-A160 PolarHBondContact O-N 3.16Å
158Y97.9Very high97.7Very high0 Ų022.1 Ų22.10%013%0.125CC..Hα-helixtrans-58.6-40.7-178.3-176.5-82.5000111.8I15 Q16 F18 L21 E22 F25 Y99 I154 S155 A160I15-Y158 HydrophobicContact CB-CD2 4.36Å; I15-Y158 VanDerWaalsContact CD1-CA 3.48Å; I15-Y158 VanDerWaalsContact CD1-N 3.33Å; I15-Y158 HydrophobicContact CG1-CD2 4.25Å; I15-Y158 WeakPolarHBondContact O-CD2 3.48Å; I15-Y158 WeakPolarHBondContact O-CE2 3.49Å; Q16-Y158 HydrophobicContact CG-CD2 4.47Å; Q16-Y158 WeakPolarHBondContact CG-O 3.37Å; Q16-Y158 PolarHBondContact NE2-O 3.42Å; F18-Y158 PolarHBondContact O-OH 3.48Å; L21-Y158 HydrophobicContact CB-CE2 4.45Å; E22-Y158 HydrophobicContact CB-CE1 3.99Å; E22-Y158 HydrophobicContact CG-CE1 4.47Å; E22-Y158 PolarHBondContact N-OH 2.97Å; F25-Y158 HydrophobicContact CB-CD1 3.92Å; F25-Y158 HydrophobicContact CB-CG 4.15Å; F25-Y158 AromaticContact CD2-CD1 3.73Å; F25-Y158 HydrophobicContact CD2-CD1 3.73Å; F25-Y158 AromaticContact CD2-CD2 3.33Å; F25-Y158 HydrophobicContact CD2-CD2 3.33Å; F25-Y158 HydrophobicContact CD2-CE1 4.16Å; F25-Y158 AromaticContact CD2-CE2 3.76Å; F25-Y158 HydrophobicContact CD2-CE2 3.76Å; F25-Y158 AromaticContact CD2-CG 3.31Å; F25-Y158 HydrophobicContact CD2-CG 3.31Å; F25-Y158 AromaticContact CE2-CD2 3.47Å; F25-Y158 HydrophobicContact CE2-CD2 3.47Å; F25-Y158 VanDerWaalsContact CE2-CD2 3.47Å; F25-Y158 AromaticContact CE2-CE2 3.95Å; F25-Y158 HydrophobicContact CE2-CE2 3.95Å; F25-Y158 AromaticContact CE2-CG 3.88Å; F25-Y158 HydrophobicContact CE2-CG 3.88Å; F25-Y158 HydrophobicContact CG-CD1 4.19Å; F25-Y158 HydrophobicContact CG-CD2 4.36Å; F25-Y158 AromaticContact CG-CG 3.93Å; F25-Y158 HydrophobicContact CG-CG 3.93Å; Y99-Y158 HydrophobicContact CE2-CD1 4.26Å; Y99-Y158 HydrophobicContact CE2-CE1 4.04Å; Y99-Y158 AromaticContact CZ-CE1 3.77Å; Y99-Y158 WeakPolarHBondContact OH-CE1 3Å; I154-Y158 PolarHBondContact O-N 3.08Å; S155-Y158 PolarHBondContact O-N 2.98Å; Y158-A160 PolarHBondContact O-N 3.46Å; Y158-A160 VanDerWaalsContact O-N 3.14Å
159L96.4Very high97.7Very high0 Ų023 Ų230%013%0.127CC..THydrogen-bonded Turntrans-74.86.3176.5-63.7172.7000113.6S29 Y99 L101 T102 S155 C157 A161S29-L159 VanDerWaalsContact CB-CD1 3.47Å; Y99-L159 HydrophobicContact CD2-CB 4.4Å; Y99-L159 HydrophobicContact CD2-CD2 3.6Å; Y99-L159 HydrophobicContact CE2-CD2 4.25Å; Y99-L159 HydrophobicContact CG-CD2 3.79Å; L101-L159 HydrophobicContact CB-CD1 4.06Å; L101-L159 HydrophobicContact CD1-CD1 4.08Å; T102-L159 WeakPolarHBondContact CB-O 3.43Å; T102-L159 WeakPolarHBondContact CG2-O 3.45Å; T102-L159 PolarHBondContact OG1-O 2.8Å; S155-L159 VanDerWaalsContact O-CG 3.32Å; S155-L159 WeakPolarHBondContact O-CG 3.47Å; S155-L159 PolarHBondContact O-N 3.02Å; C157-L159 VanDerWaalsContact C-N 3.29Å; C157-L159 PolarHBondContact O-N 2.8Å; L159-A161 PolarHBondContact O-N 2.97Å
160A96.3Very high97.7Very high0 Ų021.9 Ų21.90%012%0.122CC..THydrogen-bonded Turntrans53.125.7-17500000113.9I12 P79 V96 T102 C157 Y158I12-A160 HydrophobicContact CG2-CB 3.98Å; P79-A160 HydrophobicContact CB-CB 4.36Å; P79-A160 WeakPolarHBondContact CD-O 3.42Å; P79-A160 WeakPolarHBondContact CG-O 3.09Å; V96-A160 HydrophobicContact CB-CB 4.06Å; V96-A160 HydrophobicContact CG2-CB 4.08Å; T102-A160 HydrophobicContact CG2-CB 4.48Å; C157-A160 WeakPolarHBondContact O-CA 3.44Å; C157-A160 PolarHBondContact O-N 3.16Å; Y158-A160 PolarHBondContact O-N 3.46Å; Y158-A160 VanDerWaalsContact O-N 3.14Å
161A96.4Very high97.8Very high0 Ų022.5 Ų22.50%012%0.119CC..SBendtrans-83.4-31.1-178.700000111.8R78 R156 L159R78-A161 WeakPolarHBondContact CG-O 3.34Å; R156-A161 PolarHBondContact O-N 3.08Å; R156-A161 VanDerWaalsContact O-N 3.11Å; L159-A161 PolarHBondContact O-N 2.97Å
162H97.4Very high97.7Very high0 Ų023.3 Ų23.30%012%0.123CC..SBendtrans-143.2149.3-178.4-66.2-75.6000112.1G108 S111 R156 Q166 V167G108-H162 PolarHBondContact O-CE1 2.71Å; G108-H162 PolarHBondContact O-ND1 2.71Å; S111-H162 PolarHBondContact OG-CD2 3.27Å; S111-H162 VanDerWaalsContact OG-CD2 3.27Å; S111-H162 PolarHBondContact OG-NE2 3.32Å; R156-H162 PolarHBondContact O-N 3.35Å; H162-Q166 VanDerWaalsContact CA-OE1 3.31Å; H162-Q166 HydrophobicContact CB-CB 4.2Å; H162-V167 HydrophobicContact CB-CG1 3.72Å
163F97.7Very high97.7Very high0 Ų023.9 Ų23.90%013%0.128CC..  trans-75.7157.4166.9-70.7-73.2000111.7H5 I9 I12 P79 W82 H165 Q166 V167H5-F163 HydrophobicContact CB-CE1 4.09Å; H5-F163 HydrophobicContact CB-CZ 3.85Å; H5-F163 AromaticContact CD2-CD2 3.74Å; H5-F163 AromaticContact CD2-CE2 3.44Å; H5-F163 VanDerWaalsContact CD2-CE2 3.44Å; H5-F163 WeakPolarHBondContact CD2-CE2 3.28Å; H5-F163 AromaticContact CD2-CZ 3.62Å; H5-F163 AromaticContact CG-CZ 3.89Å; H5-F163 AromaticContact NE2-CE2 3.89Å; H5-F163 WeakPolarHBondContact O-CE1 3.29Å; I9-F163 HydrophobicContact CD1-CE1 3.58Å; I9-F163 HydrophobicContact CD1-CZ 3.93Å; I9-F163 HydrophobicContact CG1-CE1 3.91Å; I9-F163 HydrophobicContact CG1-CZ 4.4Å; I12-F163 HydrophobicContact CD1-CD1 4.35Å; P79-F163 HydrophobicContact CB-CE1 4.17Å; P79-F163 HydrophobicContact CB-CE2 4.47Å; P79-F163 HydrophobicContact CB-CZ 4.16Å; P79-F163 HydrophobicContact CG-CD1 4.05Å; P79-F163 HydrophobicContact CG-CD2 4.07Å; P79-F163 HydrophobicContact CG-CE1 4.16Å; P79-F163 HydrophobicContact CG-CE2 4.16Å; P79-F163 HydrophobicContact CG-CG 4.04Å; P79-F163 HydrophobicContact CG-CZ 4.22Å; W82-F163 HydrophobicContact CB-CE2 4.28Å; W82-F163 HydrophobicContact CB-CZ 4.03Å; W82-F163 HydrophobicContact CG-CZ 4.28Å; F163-H165 VanDerWaalsContact C-N 3.31Å; F163-H165 VanDerWaalsContact CB-CE1 3.46Å; F163-H165 WeakPolarHBondContact CB-CE1 2.98Å; F163-H165 WeakPolarHBondContact CB-ND1 3.36Å; F163-H165 AromaticContact CG-CE1 3.95Å; F163-H165 PolarHBondContact O-N 3.06Å; F163-Q166 HydrophobicContact CB-CG 4.11Å; F163-Q166 WeakPolarHBondContact O-CB 3.17Å; F163-Q166 PolarHBondContact O-N 3.3Å; F163-V167 PolarHBondContact O-N 3.48Å
164P97.9Very high97.7Very high34 Ų3423.5 Ų23.522%0.22112%0.124CC..Hα-helixtrans-53.1-41.9178.8-30.737.4000114.6F11 Q166 V167 I168F11-P164 HydrophobicContact CB-CG 4.47Å; F11-P164 HydrophobicContact CD1-CG 3.49Å; F11-P164 VanDerWaalsContact CD1-CG 3.49Å; F11-P164 HydrophobicContact CE1-CG 3.99Å; F11-P164 HydrophobicContact CG-CG 4.14Å; P164-Q166 VanDerWaalsContact C-N 3.26Å; P164-Q166 PolarHBondContact O-N 3.32Å; P164-V167 WeakPolarHBondContact O-CG2 3.47Å; P164-V167 PolarHBondContact O-N 3.27Å; P164-I168 VanDerWaalsContact O-CG1 3.27Å; P164-I168 WeakPolarHBondContact O-CG1 3.29Å; P164-I168 PolarHBondContact O-N 3.47Å
165H96.9Very high97.5Very high55 Ų5523.7 Ų23.726%0.25513%0.125SC..Hα-helixtrans-66.3-28.5178.770.8-86.2000112.9F163 L169F163-H165 VanDerWaalsContact C-N 3.31Å; F163-H165 VanDerWaalsContact CB-CE1 3.46Å; F163-H165 WeakPolarHBondContact CB-CE1 2.98Å; F163-H165 WeakPolarHBondContact CB-ND1 3.36Å; F163-H165 AromaticContact CG-CE1 3.95Å; F163-H165 PolarHBondContact O-N 3.06Å; H165-L169 WeakPolarHBondContact O-CB 3.45Å; H165-L169 PolarHBondContact O-N 3.13Å
166Q98.1Very high97.3Very high0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-75.8-35.9179.7-59.8177.2-34.400111.9H77 G108 S109 S111 H162 F163 P164 G170H77-Q166 PolarHBondContact O-NE2 3.36Å; G108-Q166 VanDerWaalsContact O-CD 3.31Å; G108-Q166 PolarHBondContact O-OE1 2.81Å; S109-Q166 WeakPolarHBondContact OG-CG 3.44Å; S109-Q166 PolarHBondContact OG-NE2 3.21Å; S111-Q166 PolarHBondContact N-O 3.04Å; H162-Q166 VanDerWaalsContact CA-OE1 3.31Å; H162-Q166 HydrophobicContact CB-CB 4.2Å; F163-Q166 HydrophobicContact CB-CG 4.11Å; F163-Q166 WeakPolarHBondContact O-CB 3.17Å; F163-Q166 PolarHBondContact O-N 3.3Å; P164-Q166 VanDerWaalsContact C-N 3.26Å; P164-Q166 PolarHBondContact O-N 3.32Å; Q166-G170 PolarHBondContact O-N 2.67Å; Q166-G170 VanDerWaalsContact O-N 3.08Å
167V98.3Very high97Very high7 Ų727.5 Ų27.54%0.04215%0.149CC..Hα-helixtrans-71.4-40.3173.4-60.50000110.8A153 R156 H162 F163 P164 L169 G170 L171A153-V167 HydrophobicContact CB-CB 4.09Å; A153-V167 HydrophobicContact CB-CG2 4.14Å; R156-V167 HydrophobicContact CB-CG1 3.89Å; H162-V167 HydrophobicContact CB-CG1 3.72Å; F163-V167 PolarHBondContact O-N 3.48Å; P164-V167 WeakPolarHBondContact O-CG2 3.47Å; P164-V167 PolarHBondContact O-N 3.27Å; V167-L169 PolarHBondContact O-N 3.02Å; V167-G170 PolarHBondContact O-N 3.42Å; V167-L171 WeakPolarHBondContact O-CG 3.47Å; V167-L171 PolarHBondContact O-N 3.32Å
168I98.1Very high96.8Very high94 Ų9427.4 Ų27.448%0.48215%0.148SC..Hα-helixtrans-59.5-48.6174.3-68.4165.3000110.8P164 G170 L171 I172P164-I168 VanDerWaalsContact O-CG1 3.27Å; P164-I168 WeakPolarHBondContact O-CG1 3.29Å; P164-I168 PolarHBondContact O-N 3.47Å; I168-G170 VanDerWaalsContact C-N 3.27Å; I168-G170 PolarHBondContact O-N 3.28Å; I168-L171 PolarHBondContact O-N 3.02Å; I168-I172 HydrophobicContact CG2-CD1 3.79Å; I168-I172 HydrophobicContact CG2-CG1 4.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.48Å; I168-I172 PolarHBondContact O-N 3.18Å
169L97.9Very high96.2Very high74 Ų7430.7 Ų30.739%0.38717%0.165SC..Hα-helixtrans-60.4-39.2177.7-173.763.4000111.5L74 P110 H165 V167 S173L74-L169 HydrophobicContact CD1-CD2 3.92Å; P110-L169 HydrophobicContact CB-CB 4.19Å; P110-L169 HydrophobicContact CB-CD2 4.03Å; P110-L169 HydrophobicContact CB-CG 3.96Å; H165-L169 WeakPolarHBondContact O-CB 3.45Å; H165-L169 PolarHBondContact O-N 3.13Å; V167-L169 PolarHBondContact O-N 3.02Å; L169-S173 WeakPolarHBondContact O-CB 3.39Å; L169-S173 PolarHBondContact O-N 2.86Å; L169-S173 PolarHBondContact O-OG 3.4Å; L169-S173 VanDerWaalsContact O-OG 3.04Å
170G98.5Very high95.7Very high0 Ų035.5 Ų35.50%019%0.19CC..Hα-helixtrans-64.4-41.1174.400000113.4M115 Q166 V167 I168 S173 G174M115-G170 WeakPolarHBondContact CA-O 3.2Å; M115-G170 WeakPolarHBondContact CB-O 3.38Å; M115-G170 PolarHBondContact N-O 3.06Å; Q166-G170 PolarHBondContact O-N 2.67Å; Q166-G170 VanDerWaalsContact O-N 3.08Å; V167-G170 PolarHBondContact O-N 3.42Å; I168-G170 VanDerWaalsContact C-N 3.27Å; I168-G170 PolarHBondContact O-N 3.28Å; G170-S173 PolarHBondContact O-OG 3.3Å; G170-S173 VanDerWaalsContact O-OG 3.06Å; G170-G174 PolarHBondContact O-N 2.84Å
171L98.4Very high95Very high38 Ų3836.6 Ų36.620%0.19920%0.195CC..Hα-helixtrans-62.7-49.1174.9-68.8175000111C114 V118 F149 A153 V167 I168 S173 G174 I175C114-L171 HydrophobicContact CB-CD2 3.96Å; C114-L171 HydrophobicContact CB-CG 4.18Å; V118-L171 HydrophobicContact CG2-CD2 3.6Å; F149-L171 HydrophobicContact CB-CD2 4.02Å; A153-L171 HydrophobicContact CB-CD1 4.04Å; V167-L171 WeakPolarHBondContact O-CG 3.47Å; V167-L171 PolarHBondContact O-N 3.32Å; I168-L171 PolarHBondContact O-N 3.02Å; L171-S173 PolarHBondContact O-N 3.48Å; L171-G174 PolarHBondContact O-N 3.46Å; L171-I175 WeakPolarHBondContact O-CG1 3.34Å; L171-I175 PolarHBondContact O-N 3.1Å
172I97.6Very high93.8Very high96 Ų9637.9 Ų37.949%0.49220%0.204SC..Hα-helixtrans-61.4-47.5-179.1-66.7169.5000110.8I168 G174 I175 T176I168-I172 HydrophobicContact CG2-CD1 3.79Å; I168-I172 HydrophobicContact CG2-CG1 4.45Å; I168-I172 WeakPolarHBondContact O-CG1 3.48Å; I168-I172 PolarHBondContact O-N 3.18Å; I172-G174 VanDerWaalsContact C-N 3.33Å; I172-G174 PolarHBondContact O-N 3.47Å; I172-I175 PolarHBondContact O-N 3.32Å; I172-T176 WeakPolarHBondContact O-CB 3.43Å; I172-T176 PolarHBondContact O-N 3.26Å; I172-T176 PolarHBondContact O-OG1 3.35Å
173S97.6Very high91.8Very high19 Ų1939.1 Ų39.113%0.13321%0.213CC..Hα-helixtrans-64.5-38.7178.163.90000111.8M115 L169 G170 L171 T176 V177M115-S173 VanDerWaalsContact CG-OG 3.28Å; M115-S173 WeakPolarHBondContact CG-OG 3.34Å; M115-S173 PolarHBondContact SD-OG 3.05Å; L169-S173 WeakPolarHBondContact O-CB 3.39Å; L169-S173 PolarHBondContact O-N 2.86Å; L169-S173 PolarHBondContact O-OG 3.4Å; L169-S173 VanDerWaalsContact O-OG 3.04Å; G170-S173 PolarHBondContact O-OG 3.3Å; G170-S173 VanDerWaalsContact O-OG 3.06Å; L171-S173 PolarHBondContact O-N 3.48Å; S173-T176 PolarHBondContact O-N 3.36Å; S173-V177 WeakPolarHBondContact O-CG2 3.34Å; S173-V177 PolarHBondContact O-N 3.06Å
174G97.6Very high89.6Confident0 Ų044 Ų440%025%0.245CC..Hα-helixtrans-62-46.8174.900000113M115 A119 G170 L171 I172 T176 V177 G178M115-G174 WeakPolarHBondContact O-CA 3.21Å; A119-G174 WeakPolarHBondContact CA-O 3.45Å; G170-G174 PolarHBondContact O-N 2.84Å; L171-G174 PolarHBondContact O-N 3.46Å; I172-G174 VanDerWaalsContact C-N 3.33Å; I172-G174 PolarHBondContact O-N 3.47Å; G174-T176 VanDerWaalsContact C-N 3.31Å; G174-T176 PolarHBondContact O-N 3.39Å; G174-V177 PolarHBondContact O-N 2.91Å; G174-G178 PolarHBondContact O-N 3.41Å
175I94.4Very high87.3Confident77 Ų7745.4 Ų45.440%0.39525%0.25SC..Hα-helixtrans-59.6-46174.7-67.4175.1000109.6V118 L171 I172 V177 G178 L179V118-I175 HydrophobicContact CG1-CB 4.35Å; V118-I175 HydrophobicContact CG1-CG1 3.58Å; L171-I175 WeakPolarHBondContact O-CG1 3.34Å; L171-I175 PolarHBondContact O-N 3.1Å; I172-I175 PolarHBondContact O-N 3.32Å; I175-V177 PolarHBondContact O-N 3.06Å; I175-G178 PolarHBondContact O-N 3.13Å; I175-L179 HydrophobicContact CG2-CD1 3.57Å; I175-L179 HydrophobicContact CG2-CG 4Å; I175-L179 WeakPolarHBondContact O-CB 3.42Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 3.13Å; I175-L179 PolarHBondContact O-N 2.87Å
176T93Very high84.9Confident75 Ų7543.9 Ų43.946%0.4625%0.249SC..Hα-helixtrans-58.8-49.9-179.1-55.30000110.7I172 S173 G174 L179 L180I172-T176 WeakPolarHBondContact O-CB 3.43Å; I172-T176 PolarHBondContact O-N 3.26Å; I172-T176 PolarHBondContact O-OG1 3.35Å; S173-T176 PolarHBondContact O-N 3.36Å; G174-T176 VanDerWaalsContact C-N 3.31Å; G174-T176 PolarHBondContact O-N 3.39Å; T176-L179 PolarHBondContact O-N 3Å; T176-L180 VanDerWaalsContact O-CG 3.27Å; T176-L180 WeakPolarHBondContact O-CG 3.45Å; T176-L180 PolarHBondContact O-N 3.48Å
177V93.4Very high82.7Confident6 Ų649.9 Ų49.94%0.03628%0.275CS..Hα-helixtrans-62.7-44.8177.1175.60000111.5L62 A63 L66 M115 A119 S173 G174 I175 L179 L180 F181L62-V177 HydrophobicContact CB-CG1 4.4Å; L62-V177 HydrophobicContact CD2-CG1 4.19Å; L62-V177 HydrophobicContact CG-CG1 4.36Å; A63-V177 HydrophobicContact CB-CG1 4.12Å; L66-V177 HydrophobicContact CD1-CG2 3.77Å; M115-V177 HydrophobicContact CE-CG2 4.17Å; A119-V177 HydrophobicContact CB-CB 4.26Å; A119-V177 HydrophobicContact CB-CG1 4.15Å; S173-V177 WeakPolarHBondContact O-CG2 3.34Å; S173-V177 PolarHBondContact O-N 3.06Å; G174-V177 PolarHBondContact O-N 2.91Å; I175-V177 PolarHBondContact O-N 3.06Å; V177-L179 PolarHBondContact O-N 3.19Å; V177-L180 WeakPolarHBondContact O-CB 3.38Å; V177-L180 PolarHBondContact O-N 3.5Å; V177-F181 HydrophobicContact CG1-CE2 4.45Å; V177-F181 WeakPolarHBondContact O-CD2 3.27Å; V177-F181 PolarHBondContact O-N 3.25Å
178G92.4Very high80.3Confident0 Ų056.9 Ų56.90%031%0.312CS..Hα-helixtrans-60.6-42.5178.100000114.2T122 G174 I175 F181 S182T122-G178 VanDerWaalsContact CG2-C 3.45Å; G174-G178 PolarHBondContact O-N 3.41Å; I175-G178 PolarHBondContact O-N 3.13Å; G178-F181 PolarHBondContact O-N 2.94Å; G178-S182 PolarHBondContact O-N 3.42Å; G178-S182 VanDerWaalsContact O-N 3.13Å; G178-S182 PolarHBondContact O-OG 3.43Å
179L86.9Confident77.7Confident70 Ų7055.2 Ų55.237%0.36631%0.309SS..Hα-helixtrans-72.2-32.4179.1-70.8179.9000112.4T122 I175 T176 V177 F181 S182 S183T122-L179 HydrophobicContact CG2-CD2 4.19Å; I175-L179 HydrophobicContact CG2-CD1 3.57Å; I175-L179 HydrophobicContact CG2-CG 4Å; I175-L179 WeakPolarHBondContact O-CB 3.42Å; I175-L179 VanDerWaalsContact O-CG 3.29Å; I175-L179 WeakPolarHBondContact O-CG 3.13Å; I175-L179 PolarHBondContact O-N 2.87Å; T176-L179 PolarHBondContact O-N 3Å; V177-L179 PolarHBondContact O-N 3.19Å; L179-F181 VanDerWaalsContact C-N 3.29Å; L179-F181 PolarHBondContact O-N 3.04Å; L179-S182 CarbonylContact O-C 3.39Å; L179-S182 PolarHBondContact O-N 3.49Å; L179-S183 PolarHBondContact O-N 2.67Å
180L85.3Confident75.2Confident100 Ų10057.1 Ų57.152%0.52433%0.325SS..Hα-helixtrans-54.6-49.9170.9-72.6169.3000109.7T176 V177 S182 S183 N197 L199T176-L180 VanDerWaalsContact O-CG 3.27Å; T176-L180 WeakPolarHBondContact O-CG 3.45Å; T176-L180 PolarHBondContact O-N 3.48Å; V177-L180 WeakPolarHBondContact O-CB 3.38Å; V177-L180 PolarHBondContact O-N 3.5Å; L180-S182 VanDerWaalsContact C-N 3.28Å; L180-S182 PolarHBondContact O-N 2.98Å; L180-S183 PolarHBondContact O-N 2.88Å; L180-N197 PolarHBondContact O-ND2 2.9Å; L180-L199 HydrophobicContact CB-CD1 4.14Å; L180-L199 WeakPolarHBondContact O-CD1 3.19Å
181F82.1Confident73.1Confident24 Ų2465 Ų6511%0.10536%0.359CS..Hα-helixtrans-66.9-24.9177-80.4-91.8000114.3T55 L58 C59 L62 V177 G178 L179 N197 L199T55-F181 HydrophobicContact CG2-CB 3.95Å; T55-F181 HydrophobicContact CG2-CD1 3.92Å; T55-F181 HydrophobicContact CG2-CG 4.32Å; L58-F181 HydrophobicContact CB-CE1 3.88Å; L58-F181 HydrophobicContact CB-CZ 4.08Å; C59-F181 HydrophobicContact CB-CD2 3.84Å; C59-F181 HydrophobicContact CB-CE2 4.09Å; C59-F181 HydrophobicContact CB-CG 4.05Å; C59-F181 VanDerWaalsContact SG-CD2 3.57Å; L62-F181 HydrophobicContact CB-CE2 4.33Å; L62-F181 HydrophobicContact CD2-CE2 3.73Å; L62-F181 HydrophobicContact CD2-CZ 4.3Å; V177-F181 HydrophobicContact CG1-CE2 4.45Å; V177-F181 WeakPolarHBondContact O-CD2 3.27Å; V177-F181 PolarHBondContact O-N 3.25Å; G178-F181 PolarHBondContact O-N 2.94Å; L179-F181 VanDerWaalsContact C-N 3.29Å; L179-F181 PolarHBondContact O-N 3.04Å; F181-N197 PolarHBondContact O-ND2 2.79Å; F181-L199 HydrophobicContact CD1-CD2 4.23Å; F181-L199 HydrophobicContact CE1-CD2 4.06Å; F181-L199 HydrophobicContact CZ-CD2 4.39Å
182S70.7Confident70.6Confident27 Ų2770.6 Ų70.619%0.18939%0.39CS..Hα-helixtrans-89.9-12.6-179.3-56.20000114.5T126 G178 L179 L180T126-S182 PolarHBondContact OG1-OG 2.87Å; T126-S182 VanDerWaalsContact OG1-OG 3.09Å; G178-S182 PolarHBondContact O-N 3.42Å; G178-S182 VanDerWaalsContact O-N 3.13Å; G178-S182 PolarHBondContact O-OG 3.43Å; L179-S182 CarbonylContact O-C 3.39Å; L179-S182 PolarHBondContact O-N 3.49Å; L180-S182 VanDerWaalsContact C-N 3.28Å; L180-S182 PolarHBondContact O-N 2.98Å
183S55.6Low68Low26 Ų2672.8 Ų72.818%0.18240%0.398CS..  trans71.1150.6-175-121.70000116.2L179 L180 D185 N197L179-S183 PolarHBondContact O-N 2.67Å; L180-S183 PolarHBondContact O-N 2.88Å; S183-D185 VanDerWaalsContact C-N 3.32Å; S183-D185 PolarHBondContact O-N 3.46Å; S183-N197 WeakPolarHBondContact CA-ND2 3.35Å; S183-N197 WeakPolarHBondContact CB-ND2 3.43Å; S183-N197 PolarHBondContact N-ND2 3.41Å; S183-N197 VanDerWaalsContact N-ND2 3.1Å; S183-N197 WeakPolarHBondContact OG-CB 3.32Å; S183-N197 PolarHBondContact OG-ND2 2.87Å; S183-N197 PolarHBondContact OG-OD1 3.23Å
184P50.3Low65.8Low103 Ų10378.4 Ų78.467%0.66943%0.431SS*.THydrogen-bonded Turntrans-67.9-27.1-165.4-17.430.8000114.5G186P184-G186 VanDerWaalsContact C-N 3.34Å; P184-G186 PolarHBondContact O-N 3.39Å
185D49.1Very low63.6Low62 Ų6284.9 Ų84.933%0.33246%0.459SS..Hα-helixtrans-79.1-16.5-171.1-68.5-37.3000113.4S183 F187 S189S183-D185 VanDerWaalsContact C-N 3.32Å; S183-D185 PolarHBondContact O-N 3.46Å; D185-F187 PolarHBondContact O-N 3.11Å; D185-S189 WeakPolarHBondContact O-CA 3.4Å; D185-S189 WeakPolarHBondContact O-CB 3.38Å; D185-S189 PolarHBondContact O-N 3.38Å
186G48.3Very low61.9Low23 Ų2387.1 Ų87.124%0.23747%0.471CS..Hα-helixtrans-67.8-33.5-171.600000115H130 P184H130-G186 PolarHBondContact CE1-O 3.13Å; P184-G186 VanDerWaalsContact C-N 3.34Å; P184-G186 PolarHBondContact O-N 3.39Å
187F50.6Low60.8Low126 Ų12684.6 Ų84.655%0.55345%0.454SS*.Hα-helixtrans-96.3-31.5-178.6-156.8-99.1000113.2I142 D185I142-F187 HydrophobicContact CD1-CE2 4.13Å; D185-F187 PolarHBondContact O-N 3.11Å
188L47.5Very low59.8Low155 Ų15592.5 Ų92.581%0.81248%0.484SS*.Hα-helixtrans-109.7-17.4-172.1-66.6174.5000114.5
189S44Very low58.9Low59 Ų5994 Ų9441%0.41349%0.492SS..SBendtrans-106.9137.8-168.8-142.80000112.9D185D185-S189 WeakPolarHBondContact O-CA 3.4Å; D185-S189 WeakPolarHBondContact O-CB 3.38Å; D185-S189 PolarHBondContact O-N 3.38Å
190P46Very low58.5Low113 Ų11393.9 Ų93.973%0.73449%0.489SS*.  trans-64.7146.5179.722.9-30.5000113.1N192P190-N192 PolarHBondContact O-N 3.42Å
191K54.7Low58.2Low165 Ų16592.5 Ų92.572%0.71749%0.485SS*.THydrogen-bonded Turntrans-50.3-3.7-162.7-76.6-175.5171.8-174.70119.9
192N44.9Very low58.3Low156 Ų15694 Ų9483%0.83449%0.492SS*.THydrogen-bonded Turntrans-102.9-3.5-160.7-80.18.9000117.1P190P190-N192 PolarHBondContact O-N 3.42Å
193E44.2Very low58.9Low142 Ų14292.9 Ų92.966%0.66448%0.484SS*.  trans-124.6101.2170.2-70.3-172.4-175.700110.7K195E193-K195 PolarHBondContact O-N 3.05Å
194V50.2Low60.1Low138 Ų13893.8 Ų93.884%0.83649%0.488SS*.  trans-74.780.1166.5-176.60000107.2I196V194-I196 PolarHBondContact O-N 3.24Å
195K51.6Low61.7Low136 Ų13691.9 Ų91.959%0.59147%0.468SS*.  trans-64.7119.2165.8-81.2179.6-177.6168.40107.6E193 N197E193-K195 PolarHBondContact O-N 3.05Å; K195-N197 PolarHBondContact O-N 3.25Å
196I58.7Low63.4Low123 Ų12390.1 Ų90.163%0.63146%0.459SS*.  trans-62.3110.9174.3-59.3176.6000106.9V194 W198 V201V194-I196 PolarHBondContact O-N 3.24Å; I196-W198 PolarHBondContact O-N 3.36Å; I196-V201 HydrophobicContact CG2-CG2 3.62Å
197N70Confident65Low22 Ų2289.5 Ų89.512%0.11845%0.45CS..  trans-56.8133.1178.1-175.5-0.7000110L180 F181 S183 K195 L199 H200 V201L180-N197 PolarHBondContact O-ND2 2.9Å; F181-N197 PolarHBondContact O-ND2 2.79Å; S183-N197 WeakPolarHBondContact CA-ND2 3.35Å; S183-N197 WeakPolarHBondContact CB-ND2 3.43Å; S183-N197 PolarHBondContact N-ND2 3.41Å; S183-N197 VanDerWaalsContact N-ND2 3.1Å; S183-N197 WeakPolarHBondContact OG-CB 3.32Å; S183-N197 PolarHBondContact OG-ND2 2.87Å; S183-N197 PolarHBondContact OG-OD1 3.23Å; K195-N197 PolarHBondContact O-N 3.25Å; N197-L199 PolarHBondContact O-N 2.92Å; N197-L199 PolarHBondContact OD1-N 3.05Å; N197-H200 HydrophobicContact CB-CB 3.97Å; N197-H200 WeakPolarHBondContact O-CA 3.39Å; N197-H200 VanDerWaalsContact O-CB 3.29Å; N197-H200 WeakPolarHBondContact O-CB 3.47Å; N197-H200 PolarHBondContact O-N 2.86Å; N197-V201 PolarHBondContact O-N 3.19Å
198W72.9Confident66.6Low172 Ų17287.1 Ų87.165%0.65245%0.446SS*.Hα-helixtrans-52-38.6171177.881.1000111.9I196 H200 V201 Q202I196-W198 PolarHBondContact O-N 3.36Å; W198-H200 VanDerWaalsContact C-N 3.34Å; W198-H200 PolarHBondContact O-N 2.97Å; W198-V201 WeakPolarHBondContact O-CB 3.38Å; W198-V201 PolarHBondContact O-N 3.44Å; W198-Q202 HydrophobicContact CD2-CG 3.9Å; W198-Q202 VanDerWaalsContact CE2-NE2 3.35Å; W198-Q202 HydrophobicContact CE3-CG 4.09Å; W198-Q202 HydrophobicContact CH2-CG 3.78Å; W198-Q202 HydrophobicContact CZ2-CG 3.6Å; W198-Q202 HydrophobicContact CZ3-CG 4.02Å; W198-Q202 VanDerWaalsContact NE1-NE2 3.19Å; W198-Q202 WeakPolarHBondContact O-CG 3.32Å; W198-Q202 PolarHBondContact O-N 3.49Å
199L74Confident68.6Low33 Ų3383.8 Ų83.817%0.17343%0.426CS..Hα-helixtrans-69.4-28.4176.1-81.6158.4000113.6L180 F181 N197 Q202 T203L180-L199 HydrophobicContact CB-CD1 4.14Å; L180-L199 WeakPolarHBondContact O-CD1 3.19Å; F181-L199 HydrophobicContact CD1-CD2 4.23Å; F181-L199 HydrophobicContact CE1-CD2 4.06Å; F181-L199 HydrophobicContact CZ-CD2 4.39Å; N197-L199 PolarHBondContact O-N 2.92Å; N197-L199 PolarHBondContact OD1-N 3.05Å; L199-Q202 PolarHBondContact O-N 2.91Å; L199-T203 WeakPolarHBondContact O-CB 3.32Å; L199-T203 PolarHBondContact O-N 2.91Å; L199-T203 PolarHBondContact O-OG1 3.4Å
200H77.1Confident70.8Confident66 Ų6681.8 Ų81.831%0.30641%0.412SS..Hα-helixtrans-66-44.6169.4-179.182.9000110.3N197 W198 Q202 T203 V204N197-H200 HydrophobicContact CB-CB 3.97Å; N197-H200 WeakPolarHBondContact O-CA 3.39Å; N197-H200 VanDerWaalsContact O-CB 3.29Å; N197-H200 WeakPolarHBondContact O-CB 3.47Å; N197-H200 PolarHBondContact O-N 2.86Å; W198-H200 VanDerWaalsContact C-N 3.34Å; W198-H200 PolarHBondContact O-N 2.97Å; H200-Q202 VanDerWaalsContact C-N 3.31Å; H200-Q202 PolarHBondContact O-N 3.44Å; H200-T203 PolarHBondContact O-N 3.5Å; H200-T203 VanDerWaalsContact O-N 3.16Å; H200-V204 WeakPolarHBondContact O-CG2 3.41Å; H200-V204 PolarHBondContact O-N 2.9Å
201V80.3Confident73Confident71 Ų7180 Ų8043%0.4340%0.396SS..Hα-helixtrans-57.7-45.4173.5-1790000110.6I196 N197 W198 T203 V204 Y205I196-V201 HydrophobicContact CG2-CG2 3.62Å; N197-V201 PolarHBondContact O-N 3.19Å; W198-V201 WeakPolarHBondContact O-CB 3.38Å; W198-V201 PolarHBondContact O-N 3.44Å; V201-T203 PolarHBondContact O-N 2.59Å; V201-V204 PolarHBondContact O-N 2.97Å; V201-Y205 WeakPolarHBondContact O-CB 3.35Å; V201-Y205 PolarHBondContact O-N 2.8Å
202Q83.3Confident74.8Confident57 Ų5778.6 Ų78.627%0.26639%0.386SS..Hα-helixtrans-63.2-39.4176.5-64.4-48.5-47.600112.5W198 L199 H200 Y205 L206W198-Q202 HydrophobicContact CD2-CG 3.9Å; W198-Q202 VanDerWaalsContact CE2-NE2 3.35Å; W198-Q202 HydrophobicContact CE3-CG 4.09Å; W198-Q202 HydrophobicContact CH2-CG 3.78Å; W198-Q202 HydrophobicContact CZ2-CG 3.6Å; W198-Q202 HydrophobicContact CZ3-CG 4.02Å; W198-Q202 VanDerWaalsContact NE1-NE2 3.19Å; W198-Q202 WeakPolarHBondContact O-CG 3.32Å; W198-Q202 PolarHBondContact O-N 3.49Å; L199-Q202 PolarHBondContact O-N 2.91Å; H200-Q202 VanDerWaalsContact C-N 3.31Å; H200-Q202 PolarHBondContact O-N 3.44Å; Q202-Y205 WeakPolarHBondContact O-CB 3.39Å; Q202-Y205 PolarHBondContact O-N 3.23Å; Q202-L206 VanDerWaalsContact O-CG 3.31Å; Q202-L206 WeakPolarHBondContact O-CG 3.36Å; Q202-L206 PolarHBondContact O-N 3.22Å
203T83Confident77.2Confident2 Ų271.2 Ų71.21%0.01235%0.346CS..Hα-helixtrans-64.4-47.3177.6-54.90000111T51 I54 T55 L199 H200 V201 Y205 L206 L207T51-T203 HydrophobicContact CG2-CG2 3.94Å; I54-T203 HydrophobicContact CB-CG2 3.82Å; I54-T203 HydrophobicContact CG2-CG2 3.68Å; T55-T203 WeakPolarHBondContact OG1-CG2 3.5Å; T55-T203 PolarHBondContact OG1-OG1 2.89Å; L199-T203 WeakPolarHBondContact O-CB 3.32Å; L199-T203 PolarHBondContact O-N 2.91Å; L199-T203 PolarHBondContact O-OG1 3.4Å; H200-T203 PolarHBondContact O-N 3.5Å; H200-T203 VanDerWaalsContact O-N 3.16Å; V201-T203 PolarHBondContact O-N 2.59Å; T203-Y205 VanDerWaalsContact C-N 3.26Å; T203-Y205 PolarHBondContact O-N 2.88Å; T203-L206 PolarHBondContact O-N 3.49Å; T203-L207 PolarHBondContact O-N 3.08Å
204V81.7Confident79.5Confident45 Ų4566.8 Ų66.827%0.27333%0.327SS..Hα-helixtrans-62.6-37175.6173.90000111T51 H200 V201 L207 T208T51-V204 HydrophobicContact CG2-CG2 4.3Å; H200-V204 WeakPolarHBondContact O-CG2 3.41Å; H200-V204 PolarHBondContact O-N 2.9Å; V201-V204 PolarHBondContact O-N 2.97Å; V204-L207 WeakPolarHBondContact O-CB 3.44Å; V204-L207 PolarHBondContact O-N 3.3Å; V204-T208 PolarHBondContact O-N 2.87Å; V204-T208 PolarHBondContact O-OG1 3.14Å; V204-T208 VanDerWaalsContact O-OG1 3.12Å
205Y84.7Confident81.7Confident64 Ų6469.3 Ų69.325%0.25132%0.322SS..Hα-helixtrans-64.8-41.9175.6-175.3-96.3000112.1V201 Q202 T203 T208 H209 R212V201-Y205 WeakPolarHBondContact O-CB 3.35Å; V201-Y205 PolarHBondContact O-N 2.8Å; Q202-Y205 WeakPolarHBondContact O-CB 3.39Å; Q202-Y205 PolarHBondContact O-N 3.23Å; T203-Y205 VanDerWaalsContact C-N 3.26Å; T203-Y205 PolarHBondContact O-N 2.88Å; Y205-T208 PolarHBondContact O-N 3.03Å; Y205-T208 PolarHBondContact O-OG1 3.03Å; Y205-H209 AromaticContact CD2-ND1 3.76Å; Y205-H209 HydrophobicContact CE1-CB 4.18Å; Y205-H209 AromaticContact CE2-CE1 3.48Å; Y205-H209 VanDerWaalsContact CE2-CE1 3.48Å; Y205-H209 WeakPolarHBondContact CE2-CE1 3.46Å; Y205-H209 AromaticContact CE2-CG 3.98Å; Y205-H209 AromaticContact CE2-ND1 3.4Å; Y205-H209 WeakPolarHBondContact CE2-ND1 3.35Å; Y205-H209 AromaticContact CZ-CE1 3.97Å; Y205-H209 AromaticContact CZ-CG 3.72Å; Y205-H209 AromaticContact CZ-ND1 3.63Å; Y205-H209 WeakPolarHBondContact O-CB 3.49Å; Y205-H209 PolarHBondContact O-N 2.99Å; Y205-H209 PolarHBondContact O-ND1 3.4Å; Y205-R212 VanDerWaalsContact CE1-NH1 3.29Å; Y205-R212 PolarHBondContact OH-NE 3.29Å; Y205-R212 PolarHBondContact OH-NH2 3.43Å
206L84Confident83.7Confident25 Ų2567.6 Ų67.613%0.13132%0.319CS..Hα-helixtrans-68.1-33.6175.7-70.3170.5000112.9L58 Q202 T203 T208 H209 R212 L213L58-L206 HydrophobicContact CD1-CD1 3.54Å; Q202-L206 VanDerWaalsContact O-CG 3.31Å; Q202-L206 WeakPolarHBondContact O-CG 3.36Å; Q202-L206 PolarHBondContact O-N 3.22Å; T203-L206 PolarHBondContact O-N 3.49Å; L206-T208 VanDerWaalsContact C-N 3.26Å; L206-T208 PolarHBondContact O-N 3.41Å; L206-H209 CarbonylContact O-C 3.31Å; L206-H209 PolarHBondContact O-N 3.25Å; L206-R212 HydrophobicContact CD2-CB 3.93Å; L206-L213 HydrophobicContact CB-CD2 4.36Å; L206-L213 HydrophobicContact CD1-CD2 4.01Å; L206-L213 HydrophobicContact CD2-CD2 3.99Å; L206-L213 HydrophobicContact CD2-CG 4.18Å; L206-L213 HydrophobicContact CG-CD2 4.35Å
207L81.6Confident85.5Confident9 Ų961.8 Ų61.85%0.04729%0.289CS..Hα-helixtrans-60-36.4171.9-85.3170.2000112.4I54 T203 V204 L280 T285I54-L207 HydrophobicContact CB-CG 4.5Å; I54-L207 HydrophobicContact CD1-CD2 4.31Å; I54-L207 HydrophobicContact CG1-CD1 4.38Å; I54-L207 HydrophobicContact CG1-CD2 3.45Å; I54-L207 VanDerWaalsContact CG1-CD2 3.45Å; I54-L207 HydrophobicContact CG1-CG 3.88Å; T203-L207 PolarHBondContact O-N 3.08Å; V204-L207 WeakPolarHBondContact O-CB 3.44Å; V204-L207 PolarHBondContact O-N 3.3Å; L207-L280 HydrophobicContact CD2-CD1 4.29Å; L207-L280 HydrophobicContact CD2-CD2 3.71Å; L207-T285 WeakPolarHBondContact CD2-OG1 3.41Å
208T83.5Confident86.7Confident77 Ų7766.4 Ų66.447%0.47231%0.308SS..Hα-helixtrans-89.3-19.7-179.150.80000113.4V204 Y205 L206V204-T208 PolarHBondContact O-N 2.87Å; V204-T208 PolarHBondContact O-OG1 3.14Å; V204-T208 VanDerWaalsContact O-OG1 3.12Å; Y205-T208 PolarHBondContact O-N 3.03Å; Y205-T208 PolarHBondContact O-OG1 3.03Å; L206-T208 VanDerWaalsContact C-N 3.26Å; L206-T208 PolarHBondContact O-N 3.41Å
209H90.1Very high87.9Confident84 Ų8459.9 Ų59.939%0.38929%0.294SS..  trans-129.364.6-177.7-60.178.9000112Y205 L206 N211 R212Y205-H209 AromaticContact CD2-ND1 3.76Å; Y205-H209 HydrophobicContact CE1-CB 4.18Å; Y205-H209 AromaticContact CE2-CE1 3.48Å; Y205-H209 VanDerWaalsContact CE2-CE1 3.48Å; Y205-H209 WeakPolarHBondContact CE2-CE1 3.46Å; Y205-H209 AromaticContact CE2-CG 3.98Å; Y205-H209 AromaticContact CE2-ND1 3.4Å; Y205-H209 WeakPolarHBondContact CE2-ND1 3.35Å; Y205-H209 AromaticContact CZ-CE1 3.97Å; Y205-H209 AromaticContact CZ-CG 3.72Å; Y205-H209 AromaticContact CZ-ND1 3.63Å; Y205-H209 WeakPolarHBondContact O-CB 3.49Å; Y205-H209 PolarHBondContact O-N 2.99Å; Y205-H209 PolarHBondContact O-ND1 3.4Å; L206-H209 CarbonylContact O-C 3.31Å; L206-H209 PolarHBondContact O-N 3.25Å; H209-N211 PolarHBondContact O-N 2.84Å; H209-N211 VanDerWaalsContact O-N 3.08Å; H209-R212 HydrophobicContact CB-CG 4.44Å; H209-R212 PolarHBondContact O-N 3.36Å
210P91Very high89Confident18 Ų1859.2 Ų59.212%0.11729%0.293CS..THydrogen-bonded Turntrans-60.3-27.1-170.922.9-34.6000114.1R212 L213 S277 L280 R281P210-R212 PolarHBondContact O-N 3.36Å; P210-L213 VanDerWaalsContact O-CB 3.27Å; P210-L213 WeakPolarHBondContact O-CB 2.88Å; P210-L213 PolarHBondContact O-N 3.4Å; P210-S277 WeakPolarHBondContact O-CB 3.34Å; P210-S277 PolarHBondContact O-OG 3.13Å; P210-L280 HydrophobicContact CB-CB 3.78Å; P210-L280 HydrophobicContact CB-CD1 4.43Å; P210-L280 HydrophobicContact CG-CB 4.3Å; P210-R281 HydrophobicContact CB-CG 4.06Å; P210-R281 HydrophobicContact CG-CG 3.55Å
211N92.5Very high90Very high75 Ų7558.1 Ų58.140%0.40129%0.287SS..Hα-helixtrans-57-26176.6-69-20.5000113.7H209 L213 L214 W215 R281H209-N211 PolarHBondContact O-N 2.84Å; H209-N211 VanDerWaalsContact O-N 3.08Å; N211-L213 VanDerWaalsContact C-N 3.27Å; N211-L213 PolarHBondContact O-N 3.44Å; N211-L214 WeakPolarHBondContact O-CB 3.33Å; N211-L214 PolarHBondContact O-N 2.79Å; N211-W215 VanDerWaalsContact O-CD1 3.25Å; N211-W215 PolarHBondContact O-N 2.96Å; N211-R281 WeakPolarHBondContact OD1-CD 3.5Å; N211-R281 PolarHBondContact OD1-NH1 3.31Å
212R92.3Very high90.8Very high135 Ų13558.2 Ų58.251%0.50928%0.284SS..Hα-helixtrans-68.6-26.7175.5-65.6-147.7-173.9179.9-7.9112.8Y205 L206 H209 P210 L214 W215 L216Y205-R212 VanDerWaalsContact CE1-NH1 3.29Å; Y205-R212 PolarHBondContact OH-NE 3.29Å; Y205-R212 PolarHBondContact OH-NH2 3.43Å; L206-R212 HydrophobicContact CD2-CB 3.93Å; H209-R212 HydrophobicContact CB-CG 4.44Å; H209-R212 PolarHBondContact O-N 3.36Å; P210-R212 PolarHBondContact O-N 3.36Å; R212-L214 VanDerWaalsContact C-N 3.33Å; R212-W215 PolarHBondContact O-N 3.49Å; R212-L216 WeakPolarHBondContact O-CB 3.39Å; R212-L216 PolarHBondContact O-N 3.42Å
213L93.9Very high91.5Very high1 Ų160.6 Ų60.61%0.00529%0.293CS..Hα-helixtrans-66.4-36.3173.9-65.6167.7000111.3L58 L206 P210 N211 L216 G217 A273 L276 L280L58-L213 HydrophobicContact CD2-CD2 3.89Å; L206-L213 HydrophobicContact CB-CD2 4.36Å; L206-L213 HydrophobicContact CD1-CD2 4.01Å; L206-L213 HydrophobicContact CD2-CD2 3.99Å; L206-L213 HydrophobicContact CD2-CG 4.18Å; L206-L213 HydrophobicContact CG-CD2 4.35Å; P210-L213 VanDerWaalsContact O-CB 3.27Å; P210-L213 WeakPolarHBondContact O-CB 2.88Å; P210-L213 PolarHBondContact O-N 3.4Å; N211-L213 VanDerWaalsContact C-N 3.27Å; N211-L213 PolarHBondContact O-N 3.44Å; L213-L216 PolarHBondContact O-N 2.87Å; L213-G217 PolarHBondContact O-N 3.38Å; L213-A273 WeakPolarHBondContact O-CB 3.48Å; L213-L276 HydrophobicContact CD1-CB 4.35Å; L213-L276 HydrophobicContact CD1-CD2 3.74Å; L213-L276 HydrophobicContact CD1-CG 3.88Å; L213-L276 HydrophobicContact CD2-CD2 4.45Å; L213-L280 HydrophobicContact CD1-CD1 3.97Å
214L94.3Very high92.1Very high50 Ų5060.5 Ų60.526%0.26229%0.293SS..Hα-helixtrans-60.9-48.7173.9-68168.1000111N211 R212 L216 G217 F218 T274 S277N211-L214 WeakPolarHBondContact O-CB 3.33Å; N211-L214 PolarHBondContact O-N 2.79Å; R212-L214 VanDerWaalsContact C-N 3.33Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 2.83Å; L214-G217 PolarHBondContact O-N 2.91Å; L214-F218 WeakPolarHBondContact O-CB 3.38Å; L214-F218 PolarHBondContact O-N 3.12Å; L214-T274 HydrophobicContact CD2-CG2 3.73Å; L214-S277 WeakPolarHBondContact CG-OG 3.17Å
215W95.1Very high92.8Very high190 Ų19064.1 Ų64.172%0.7230%0.303SS*.Hα-helixtrans-64.5-38.1177.6-69.5114.4000112.6N211 R212 G219N211-W215 VanDerWaalsContact O-CD1 3.25Å; N211-W215 PolarHBondContact O-N 2.96Å; R212-W215 PolarHBondContact O-N 3.49Å; W215-G219 PolarHBondContact O-N 3.05Å
216L93.3Very high93.4Very high101 Ų10165.2 Ų65.253%0.52932%0.316SS..Hα-helixtrans-64.8-46.3175.6-17567.6000111.3R212 L213 L214 S220R212-L216 WeakPolarHBondContact O-CB 3.39Å; R212-L216 PolarHBondContact O-N 3.42Å; L213-L216 PolarHBondContact O-N 2.87Å; L214-L216 VanDerWaalsContact C-N 3.34Å; L214-L216 PolarHBondContact O-N 2.83Å; L216-S220 WeakPolarHBondContact O-CB 3.39Å; L216-S220 PolarHBondContact O-N 2.89Å
217G96.5Very high94Very high1 Ų166.2 Ų66.21%0.0132%0.319CS..Hα-helixtrans-62.6-48.4177.600000112.2L213 L214 S220 F221 A270L213-G217 PolarHBondContact O-N 3.38Å; L214-G217 PolarHBondContact O-N 2.91Å; G217-S220 PolarHBondContact O-N 3.36Å; G217-F221 PolarHBondContact O-N 3.19Å; G217-A270 WeakPolarHBondContact O-CB 3.45Å
218F96.5Very high94.6Very high118 Ų11866.2 Ų66.252%0.51832%0.32SS..Hα-helixtrans-62.1-50.3176.5179.4-102.9000111.8L214 S220 F221 M222L214-F218 WeakPolarHBondContact O-CB 3.38Å; L214-F218 PolarHBondContact O-N 3.12Å; F218-S220 VanDerWaalsContact C-N 3.34Å; F218-S220 PolarHBondContact O-N 3.02Å; F218-F221 PolarHBondContact O-N 3.15Å; F218-M222 HydrophobicContact CD1-CG 4.1Å; F218-M222 HydrophobicContact CD2-CG 4.24Å; F218-M222 HydrophobicContact CE1-CG 3.68Å; F218-M222 HydrophobicContact CE2-CG 3.83Å; F218-M222 HydrophobicContact CE2-SD 4.05Å; F218-M222 HydrophobicContact CG-CG 4.36Å; F218-M222 HydrophobicContact CZ-CG 3.53Å; F218-M222 HydrophobicContact CZ-SD 3.93Å; F218-M222 WeakPolarHBondContact O-CB 3.41Å; F218-M222 WeakPolarHBondContact O-CG 3.25Å; F218-M222 PolarHBondContact O-N 3.22Å
219G97.1Very high95.2Very high35 Ų3564.9 Ų64.936%0.36131%0.311SS..Hα-helixtrans-61.5-40.2179.100000112.8W215 M222 F223W215-G219 PolarHBondContact O-N 3.05Å; G219-M222 PolarHBondContact O-N 2.85Å; G219-F223 WeakPolarHBondContact O-CB 3.06Å; G219-F223 PolarHBondContact O-N 3.21Å
220S96.8Very high95.5Very high20 Ų2066 Ų6614%0.1432%0.315CS..Hα-helixtrans-59.8-45.4174.1160.90000112.4W65 L216 G217 F218 A224W65-S220 PolarHBondContact NE1-O 3.36Å; W65-S220 PolarHBondContact NE1-OG 3.31Å; L216-S220 WeakPolarHBondContact O-CB 3.39Å; L216-S220 PolarHBondContact O-N 2.89Å; G217-S220 PolarHBondContact O-N 3.36Å; F218-S220 VanDerWaalsContact C-N 3.34Å; F218-S220 PolarHBondContact O-N 3.02Å; S220-A224 PolarHBondContact O-N 2.88Å; S220-A224 VanDerWaalsContact O-N 3.14Å
221F97.6Very high95.7Very high42 Ų4265.4 Ų65.418%0.18431%0.311CS..Hα-helixtrans-68.4-45.6177.4-179.2-99.8000111.8G217 F218 F223 A224 Y225 M263 F266 A270G217-F221 PolarHBondContact O-N 3.19Å; F218-F221 PolarHBondContact O-N 3.15Å; F221-F223 VanDerWaalsContact C-N 3.3Å; F221-F223 PolarHBondContact O-N 2.98Å; F221-A224 PolarHBondContact O-N 3.14Å; F221-A224 VanDerWaalsContact O-N 3.16Å; F221-Y225 PolarHBondContact O-N 3.03Å; F221-M263 HydrophobicContact CE2-CG 4.33Å; F221-M263 HydrophobicContact CE2-SD 3.92Å; F221-M263 HydrophobicContact CZ-SD 4.25Å; F221-F266 HydrophobicContact CD2-CB 3.97Å; F221-F266 HydrophobicContact CE2-CB 4.48Å; F221-A270 HydrophobicContact CB-CB 4.03Å
222M97.2Very high95.8Very high73 Ų7365.9 Ų65.936%0.3631%0.311SS..Hα-helixtrans-60.5-40.3177.4-72-56.2-61.900111.8F218 G219 Y225 V226F218-M222 HydrophobicContact CD1-CG 4.1Å; F218-M222 HydrophobicContact CD2-CG 4.24Å; F218-M222 HydrophobicContact CE1-CG 3.68Å; F218-M222 HydrophobicContact CE2-CG 3.83Å; F218-M222 HydrophobicContact CE2-SD 4.05Å; F218-M222 HydrophobicContact CG-CG 4.36Å; F218-M222 HydrophobicContact CZ-CG 3.53Å; F218-M222 HydrophobicContact CZ-SD 3.93Å; F218-M222 WeakPolarHBondContact O-CB 3.41Å; F218-M222 WeakPolarHBondContact O-CG 3.25Å; F218-M222 PolarHBondContact O-N 3.22Å; G219-M222 PolarHBondContact O-N 2.85Å; M222-Y225 PolarHBondContact O-N 2.85Å; M222-V226 WeakPolarHBondContact O-CB 3.35Å; M222-V226 VanDerWaalsContact O-CG2 3.31Å; M222-V226 WeakPolarHBondContact O-CG2 3.42Å; M222-V226 PolarHBondContact O-N 3.31Å
223F97.8Very high96Very high107 Ų10767.6 Ų67.647%0.46932%0.319SS..Hα-helixtrans-60.2-49.4173.6179.4-84.5000111.3W65 I69 G219 F221 Y225 V226 F227W65-F223 HydrophobicContact CH2-CD1 4Å; W65-F223 AromaticContact CH2-CE1 3.87Å; W65-F223 HydrophobicContact CH2-CE1 3.87Å; W65-F223 AromaticContact CZ2-CD1 3.43Å; W65-F223 HydrophobicContact CZ2-CD1 3.43Å; W65-F223 VanDerWaalsContact CZ2-CD1 3.43Å; W65-F223 AromaticContact CZ2-CE1 3.78Å; W65-F223 HydrophobicContact CZ2-CE1 3.78Å; W65-F223 HydrophobicContact CZ2-CG 4.19Å; I69-F223 HydrophobicContact CD1-CD1 4.32Å; I69-F223 HydrophobicContact CD1-CE1 4.02Å; G219-F223 WeakPolarHBondContact O-CB 3.06Å; G219-F223 PolarHBondContact O-N 3.21Å; F221-F223 VanDerWaalsContact C-N 3.3Å; F221-F223 PolarHBondContact O-N 2.98Å; F223-Y225 VanDerWaalsContact C-N 3.29Å; F223-Y225 PolarHBondContact O-N 3.45Å; F223-V226 PolarHBondContact O-N 3.12Å; F223-F227 HydrophobicContact CE1-CB 4.34Å; F223-F227 VanDerWaalsContact O-CB 3.27Å; F223-F227 WeakPolarHBondContact O-CB 3.44Å; F223-F227 PolarHBondContact O-N 2.91Å
224A97.1Very high96.1Very high0 Ų070 Ų700%034%0.343CS..Hα-helixtrans-61.6-39.1179.300000111.9W72 S220 F221 F227 S228 F266W72-A224 HydrophobicContact CH2-CB 4.23Å; W72-A224 VanDerWaalsContact CH2-O 3.3Å; W72-A224 WeakPolarHBondContact CH2-O 3.3Å; W72-A224 HydrophobicContact CZ3-CB 4.1Å; W72-A224 WeakPolarHBondContact CZ3-O 3.35Å; S220-A224 PolarHBondContact O-N 2.88Å; S220-A224 VanDerWaalsContact O-N 3.14Å; F221-A224 PolarHBondContact O-N 3.14Å; F221-A224 VanDerWaalsContact O-N 3.16Å; A224-F227 PolarHBondContact O-N 3.34Å; A224-S228 WeakPolarHBondContact O-CB 3.16Å; A224-S228 PolarHBondContact O-N 3.46Å; A224-F266 HydrophobicContact CB-CB 4.03Å; A224-F266 HydrophobicContact CB-CD1 3.67Å; A224-F266 HydrophobicContact CB-CD2 3.48Å; A224-F266 VanDerWaalsContact CB-CD2 3.48Å; A224-F266 HydrophobicContact CB-CE1 3.91Å; A224-F266 HydrophobicContact CB-CE2 3.76Å; A224-F266 HydrophobicContact CB-CG 3.44Å; A224-F266 VanDerWaalsContact CB-CG 3.44Å; A224-F266 HydrophobicContact CB-CZ 3.95Å
225Y95.9Very high96.1Very high122 Ų12272.2 Ų72.248%0.47835%0.354SS..Hα-helixtrans-62.3-53.1174.4-178.2-99.2000111.8F221 M222 F223 F227 S228 V229 M263F221-Y225 PolarHBondContact O-N 3.03Å; M222-Y225 PolarHBondContact O-N 2.85Å; F223-Y225 VanDerWaalsContact C-N 3.29Å; F223-Y225 PolarHBondContact O-N 3.45Å; Y225-F227 VanDerWaalsContact C-N 3.28Å; Y225-F227 PolarHBondContact O-N 3.45Å; Y225-S228 WeakPolarHBondContact O-CB 3.34Å; Y225-S228 PolarHBondContact O-N 3.27Å; Y225-S228 VanDerWaalsContact O-N 3.08Å; Y225-S228 PolarHBondContact O-OG 3.17Å; Y225-V229 HydrophobicContact CD1-CG2 4.35Å; Y225-V229 HydrophobicContact CE1-CG2 3.96Å; Y225-V229 WeakPolarHBondContact O-CG2 3.37Å; Y225-V229 PolarHBondContact O-N 3.14Å; Y225-M263 HydrophobicContact CD2-CE 4.34Å
226V96.9Very high96.1Very high87 Ų8772.3 Ų72.353%0.52736%0.36SS..Hα-helixtrans-59.7-40.5177.9171.60000111.3M222 F223 S228 V229 F230M222-V226 WeakPolarHBondContact O-CB 3.35Å; M222-V226 VanDerWaalsContact O-CG2 3.31Å; M222-V226 WeakPolarHBondContact O-CG2 3.42Å; M222-V226 PolarHBondContact O-N 3.31Å; F223-V226 PolarHBondContact O-N 3.12Å; V226-S228 VanDerWaalsContact C-N 3.35Å; V226-V229 PolarHBondContact O-N 3.19Å; V226-F230 WeakPolarHBondContact O-CB 3.39Å; V226-F230 PolarHBondContact O-N 3.4Å
227F96.1Very high96.1Very high45 Ų4569.5 Ų69.520%0.19735%0.347CS..Hα-helixtrans-64.1-39.9175.9-172.1-109.5000111.7I69 W72 M73 F223 A224 Y225 V229 F230 L231I69-F227 HydrophobicContact CD1-CD1 4.22Å; W72-F227 HydrophobicContact CB-CE1 4Å; W72-F227 HydrophobicContact CD2-CD1 4.29Å; W72-F227 HydrophobicContact CD2-CE1 4.43Å; W72-F227 AromaticContact CE3-CD1 3.45Å; W72-F227 HydrophobicContact CE3-CD1 3.45Å; W72-F227 VanDerWaalsContact CE3-CD1 3.45Å; W72-F227 AromaticContact CE3-CE1 3.85Å; W72-F227 HydrophobicContact CE3-CE1 3.85Å; W72-F227 AromaticContact CZ3-CD1 3.82Å; W72-F227 HydrophobicContact CZ3-CD1 3.82Å; M73-F227 HydrophobicContact CG-CZ 4.28Å; F223-F227 HydrophobicContact CE1-CB 4.34Å; F223-F227 VanDerWaalsContact O-CB 3.27Å; F223-F227 WeakPolarHBondContact O-CB 3.44Å; F223-F227 PolarHBondContact O-N 2.91Å; A224-F227 PolarHBondContact O-N 3.34Å; Y225-F227 VanDerWaalsContact C-N 3.28Å; Y225-F227 PolarHBondContact O-N 3.45Å; F227-V229 PolarHBondContact O-N 3.31Å; F227-F230 HydrophobicContact CD2-CD1 4.35Å; F227-F230 HydrophobicContact CE2-CD1 4.36Å; F227-F230 WeakPolarHBondContact O-CB 3.13Å; F227-F230 PolarHBondContact O-N 3.36Å; F227-L231 HydrophobicContact CD1-CD1 4.08Å; F227-L231 HydrophobicContact CD1-CG 4.4Å; F227-L231 HydrophobicContact CE1-CD1 3.84Å; F227-L231 HydrophobicContact CE1-CD2 4.32Å; F227-L231 HydrophobicContact CE1-CG 4.18Å; F227-L231 HydrophobicContact CZ-CD1 4.5Å; F227-L231 HydrophobicContact CZ-CD2 4.17Å; F227-L231 HydrophobicContact CZ-CG 4.43Å; F227-L231 WeakPolarHBondContact O-CG 3.47Å; F227-L231 PolarHBondContact O-N 2.74Å
228S95.3Very high95.9Very high9 Ų972.9 Ų72.96%0.06337%0.365CS..Hα-helixtrans-62.8-40.7174.876.40000112.8A224 Y225 V226 F230 L231 E232 M263A224-S228 WeakPolarHBondContact O-CB 3.16Å; A224-S228 PolarHBondContact O-N 3.46Å; Y225-S228 WeakPolarHBondContact O-CB 3.34Å; Y225-S228 PolarHBondContact O-N 3.27Å; Y225-S228 VanDerWaalsContact O-N 3.08Å; Y225-S228 PolarHBondContact O-OG 3.17Å; V226-S228 VanDerWaalsContact C-N 3.35Å; S228-F230 VanDerWaalsContact C-N 3.34Å; S228-L231 PolarHBondContact O-N 2.86Å; S228-E232 PolarHBondContact O-N 2.89Å; S228-E232 VanDerWaalsContact O-N 3.09Å; S228-M263 VanDerWaalsContact OG-CE 3.23Å; S228-M263 WeakPolarHBondContact OG-CE 3.04Å
229V96Very high95.6Very high49 Ų4967.6 Ų67.630%0.29734%0.342SS..Hα-helixtrans-64.8-39.8174.31730000110.6Y225 V226 F227 E232 Y233Y225-V229 HydrophobicContact CD1-CG2 4.35Å; Y225-V229 HydrophobicContact CE1-CG2 3.96Å; Y225-V229 WeakPolarHBondContact O-CG2 3.37Å; Y225-V229 PolarHBondContact O-N 3.14Å; V226-V229 PolarHBondContact O-N 3.19Å; F227-V229 PolarHBondContact O-N 3.31Å; V229-E232 PolarHBondContact O-N 3.47Å; V229-Y233 HydrophobicContact CG1-CD2 3.67Å; V229-Y233 HydrophobicContact CG1-CE2 4.1Å; V229-Y233 WeakPolarHBondContact O-CD2 3.27Å; V229-Y233 PolarHBondContact O-N 3.49Å
230F96.4Very high95.4Very high107 Ų10769.2 Ų69.247%0.46934%0.342SS..Iπ-helixtrans-65.3-38.6175.6172.7-107.8000112.7V226 F227 S228 G234 I235V226-F230 WeakPolarHBondContact O-CB 3.39Å; V226-F230 PolarHBondContact O-N 3.4Å; F227-F230 HydrophobicContact CD2-CD1 4.35Å; F227-F230 HydrophobicContact CE2-CD1 4.36Å; F227-F230 WeakPolarHBondContact O-CB 3.13Å; F227-F230 PolarHBondContact O-N 3.36Å; S228-F230 VanDerWaalsContact C-N 3.34Å; F230-G234 WeakPolarHBondContact O-CA 3.26Å; F230-G234 PolarHBondContact O-N 3.26Å; F230-I235 HydrophobicContact CD1-CD1 4.35Å; F230-I235 HydrophobicContact CD1-CG1 4.45Å; F230-I235 HydrophobicContact CE1-CD1 3.6Å; F230-I235 HydrophobicContact CE1-CG1 3.87Å; F230-I235 HydrophobicContact CZ-CD1 3.98Å; F230-I235 HydrophobicContact CZ-CG1 3.89Å; F230-I235 PolarHBondContact O-N 2.94Å
231L95.5Very high95.2Very high6 Ų670.5 Ų70.53%0.03134%0.344CS..Iπ-helixtrans-60.1-48.5172.6-67.6173.9000110.5W72 F227 S228 I235 K236 V237W72-L231 HydrophobicContact CB-CD1 3.77Å; W72-L231 HydrophobicContact CD2-CD1 3.99Å; W72-L231 HydrophobicContact CG-CD1 3.67Å; F227-L231 HydrophobicContact CD1-CD1 4.08Å; F227-L231 HydrophobicContact CD1-CG 4.4Å; F227-L231 HydrophobicContact CE1-CD1 3.84Å; F227-L231 HydrophobicContact CE1-CD2 4.32Å; F227-L231 HydrophobicContact CE1-CG 4.18Å; F227-L231 HydrophobicContact CZ-CD1 4.5Å; F227-L231 HydrophobicContact CZ-CD2 4.17Å; F227-L231 HydrophobicContact CZ-CG 4.43Å; F227-L231 WeakPolarHBondContact O-CG 3.47Å; F227-L231 PolarHBondContact O-N 2.74Å; S228-L231 PolarHBondContact O-N 2.86Å; L231-I235 HydrophobicContact CD2-CD1 4.28Å; L231-I235 CarbonylContact O-C 3.52Å; L231-I235 PolarHBondContact O-N 3.49Å; L231-K236 PolarHBondContact O-N 2.94Å; L231-V237 CarbonylContact C-O 3.45Å; L231-V237 PolarHBondContact O-N 3.06Å
232E95.2Very high95Very high86 Ų8668.7 Ų68.740%0.40234%0.337SS..Iπ-helixtrans-65.8-52-176.6-170.7172.6174.700112.9S228 V229 K236 V237S228-E232 PolarHBondContact O-N 2.89Å; S228-E232 VanDerWaalsContact O-N 3.09Å; V229-E232 PolarHBondContact O-N 3.47Å; E232-K236 VanDerWaalsContact O-CA 3.26Å; E232-K236 WeakPolarHBondContact O-CA 3.36Å; E232-K236 PolarHBondContact O-N 2.97Å; E232-V237 WeakPolarHBondContact CA-O 3.42Å; E232-V237 PolarHBondContact N-O 3.5Å
233Y95.6Very high94.7Very high171 Ų17166.4 Ų66.467%0.67133%0.326SS*.Iπ-helixtrans-96.6-30-173.2-63.1-73000113.8V229V229-Y233 HydrophobicContact CG1-CD2 3.67Å; V229-Y233 HydrophobicContact CG1-CE2 4.1Å; V229-Y233 WeakPolarHBondContact O-CD2 3.27Å; V229-Y233 PolarHBondContact O-N 3.49Å
234G95.8Very high94.4Very high50 Ų5065.3 Ų65.352%0.51533%0.328SS..Iπ-helixtrans-81.9-48.5-177.400000112.9F230F230-G234 WeakPolarHBondContact O-CA 3.26Å; F230-G234 PolarHBondContact O-N 3.26Å
235I94.9Very high94.1Very high98 Ų9866.2 Ų66.250%0.50333%0.333SS..SBendtrans-111.73-177.2-28.4-179.8000112.6F230 L231 V237F230-I235 HydrophobicContact CD1-CD1 4.35Å; F230-I235 HydrophobicContact CD1-CG1 4.45Å; F230-I235 HydrophobicContact CE1-CD1 3.6Å; F230-I235 HydrophobicContact CE1-CG1 3.87Å; F230-I235 HydrophobicContact CZ-CD1 3.98Å; F230-I235 HydrophobicContact CZ-CG1 3.89Å; F230-I235 PolarHBondContact O-N 2.94Å; L231-I235 HydrophobicContact CD2-CD1 4.28Å; L231-I235 CarbonylContact O-C 3.52Å; L231-I235 PolarHBondContact O-N 3.49Å; I235-V237 VanDerWaalsContact C-N 3.29Å; I235-V237 HydrophobicContact CB-CG2 4.43Å; I235-V237 PolarHBondContact O-N 2.98Å
236K94.3Very high93.9Very high192 Ų19260.4 Ų60.484%0.83531%0.31SS*.  trans5838.1179.3-57.7-176.8179.7179.50113.8L231 E232L231-K236 PolarHBondContact O-N 2.94Å; E232-K236 VanDerWaalsContact O-CA 3.26Å; E232-K236 WeakPolarHBondContact O-CA 3.36Å; E232-K236 PolarHBondContact O-N 2.97Å
237V93.2Very high93.6Very high41 Ų4161 Ų6125%0.24831%0.307CS..  trans-114118.6174.4-169.30000110Y75 L231 E232 I235 P239Y75-V237 HydrophobicContact CD1-CG1 4.33Å; Y75-V237 HydrophobicContact CE1-CB 4.43Å; Y75-V237 HydrophobicContact CE1-CG1 3.25Å; Y75-V237 VanDerWaalsContact CZ-CG1 3.4Å; Y75-V237 WeakPolarHBondContact OH-CB 3.31Å; Y75-V237 WeakPolarHBondContact OH-CG1 3.44Å; L231-V237 CarbonylContact C-O 3.45Å; L231-V237 PolarHBondContact O-N 3.06Å; E232-V237 WeakPolarHBondContact CA-O 3.42Å; E232-V237 PolarHBondContact N-O 3.5Å; I235-V237 VanDerWaalsContact C-N 3.29Å; I235-V237 HydrophobicContact CB-CG2 4.43Å; I235-V237 PolarHBondContact O-N 2.98Å; V237-P239 WeakPolarHBondContact O-CD 3.49Å
238D92.1Very high93.3Very high73 Ų7363 Ų6339%0.3933%0.326SS..  trans-62116.4176.8171.612.3000110.1N240 W241D238-N240 PolarHBondContact O-N 2.94Å; D238-N240 VanDerWaalsContact O-N 3.11Å; D238-N240 WeakPolarHBondContact OD1-CA 3.4Å; D238-N240 WeakPolarHBondContact OD1-CB 3.28Å; D238-N240 PolarHBondContact OD1-N 3.33Å; D238-W241 HydrophobicContact CB-CB 4.34Å; D238-W241 WeakPolarHBondContact O-CB 3.36Å; D238-W241 PolarHBondContact O-N 3.37Å; D238-W241 PolarHBondContact OD2-N 3.38Å
239P91.7Very high93.1Very high7 Ų762.8 Ų62.85%0.04533%0.326CS..THydrogen-bonded Turntrans-64.4-14.9179.427-35.6000113.8W72 V237W72-P239 HydrophobicContact CZ2-CB 4.44Å; W72-P239 PolarHBondContact NE1-O 2.91Å; V237-P239 WeakPolarHBondContact O-CD 3.49Å
240N91.4Very high92.9Very high68 Ų6861.2 Ų61.236%0.36432%0.317SS..THydrogen-bonded Turntrans-106.49.5-179.6-66.5-46.2000113.8D238 S242 I243D238-N240 PolarHBondContact O-N 2.94Å; D238-N240 VanDerWaalsContact O-N 3.11Å; D238-N240 WeakPolarHBondContact OD1-CA 3.4Å; D238-N240 WeakPolarHBondContact OD1-CB 3.28Å; D238-N240 PolarHBondContact OD1-N 3.33Å; N240-S242 PolarHBondContact O-N 3.22Å; N240-I243 HydrophobicContact CB-CD1 3.93Å; N240-I243 HydrophobicContact CB-CG1 4.26Å; N240-I243 VanDerWaalsContact O-CB 3.31Å; N240-I243 WeakPolarHBondContact O-CB 3.39Å; N240-I243 PolarHBondContact O-N 3.47Å
241W92.9Very high92.7Very high47 Ų4762.2 Ų62.218%0.17833%0.326CS..Hα-helixtrans-49.7-35.5-179.672.4-88.6000113.4Y75 H77 W81 P107 D238 I243 T244 L245Y75-W241 AromaticContact CD1-CE2 3.67Å; Y75-W241 AromaticContact CD1-CZ2 3.88Å; Y75-W241 HydrophobicContact CD1-CZ2 3.88Å; Y75-W241 AromaticContact CD1-NE1 3.34Å; Y75-W241 VanDerWaalsContact CD1-NE1 3.34Å; Y75-W241 AromaticContact CE1-CD1 3.87Å; Y75-W241 AromaticContact CE1-NE1 3.42Å; H77-W241 AromaticContact CE1-CZ3 3.98Å; W81-W241 HydrophobicContact CZ3-CH2 4.21Å; W81-W241 HydrophobicContact CZ3-CZ3 4.41Å; P107-W241 HydrophobicContact CB-CZ2 4.13Å; P107-W241 HydrophobicContact CG-CZ2 4Å; D238-W241 HydrophobicContact CB-CB 4.34Å; D238-W241 WeakPolarHBondContact O-CB 3.36Å; D238-W241 PolarHBondContact O-N 3.37Å; D238-W241 PolarHBondContact OD2-N 3.38Å; W241-I243 VanDerWaalsContact C-N 3.3Å; W241-I243 PolarHBondContact O-N 3.28Å; W241-T244 PolarHBondContact O-N 3.33Å; W241-L245 HydrophobicContact CE3-CD2 4.26Å; W241-L245 HydrophobicContact CZ3-CD2 3.68Å; W241-L245 PolarHBondContact O-N 2.96Å; W241-L245 VanDerWaalsContact O-N 3.15Å
242S94Very high92.4Very high4 Ų465.4 Ų65.43%0.02834%0.341CS..Hα-helixtrans-69.5-25.7-179.560.70000113.2T105 P107 N240 A246T105-S242 CarbonylContact O-C 3.59Å; T105-S242 WeakPolarHBondContact O-CB 3.37Å; T105-S242 PolarHBondContact O-OG 2.91Å; P107-S242 WeakPolarHBondContact CD-OG 3.19Å; N240-S242 PolarHBondContact O-N 3.22Å; S242-A246 VanDerWaalsContact O-CB 3.26Å; S242-A246 WeakPolarHBondContact O-CB 3.45Å; S242-A246 PolarHBondContact O-N 3.36Å
243I91.6Very high92.1Very high25 Ų2565.9 Ų65.913%0.12835%0.351CS..Hα-helixtrans-67.7-49.5176.1-54.7-175.3000109.2T105 N240 W241 L245 A246 Q247 L258T105-I243 HydrophobicContact CG2-CG2 4.41Å; N240-I243 HydrophobicContact CB-CD1 3.93Å; N240-I243 HydrophobicContact CB-CG1 4.26Å; N240-I243 VanDerWaalsContact O-CB 3.31Å; N240-I243 WeakPolarHBondContact O-CB 3.39Å; N240-I243 PolarHBondContact O-N 3.47Å; W241-I243 VanDerWaalsContact C-N 3.3Å; W241-I243 PolarHBondContact O-N 3.28Å; I243-L245 VanDerWaalsContact C-N 3.29Å; I243-L245 PolarHBondContact O-N 3.02Å; I243-A246 PolarHBondContact O-N 3.44Å; I243-Q247 WeakPolarHBondContact O-CG 3.48Å; I243-Q247 PolarHBondContact O-N 2.82Å; I243-L258 HydrophobicContact CG2-CD2 3.97Å
244T89.8Confident91.8Very high84 Ų8464 Ų6452%0.51535%0.349SS..Hα-helixtrans-60.9-40.4177.9-51.30000111.2W241 Q247 S248W241-T244 PolarHBondContact O-N 3.33Å; T244-Q247 PolarHBondContact O-N 3.26Å; T244-S248 PolarHBondContact O-N 2.89Å; T244-S248 PolarHBondContact O-OG 3.32Å
245L90.9Very high91.5Very high20 Ų2063.9 Ų63.911%0.10533%0.333CS..Hα-helixtrans-69.9-36.7177.2-170.759.2000112.8H77 W81 L85 W241 I243 Q247 S248 A249H77-L245 WeakPolarHBondContact ND1-CD2 3.33Å; W81-L245 HydrophobicContact CB-CD2 3.86Å; W81-L245 HydrophobicContact CB-CG 4.04Å; W81-L245 HydrophobicContact CD2-CD2 3.84Å; W81-L245 HydrophobicContact CD2-CG 3.98Å; W81-L245 HydrophobicContact CE3-CD2 3.67Å; W81-L245 HydrophobicContact CE3-CG 4.27Å; W81-L245 HydrophobicContact CG-CD2 3.93Å; W81-L245 HydrophobicContact CG-CG 3.86Å; L85-L245 HydrophobicContact CD1-CD1 3.92Å; L85-L245 HydrophobicContact CD1-CD2 4.13Å; L85-L245 HydrophobicContact CD2-CD1 4.22Å; L85-L245 HydrophobicContact CG-CD1 4.19Å; W241-L245 HydrophobicContact CE3-CD2 4.26Å; W241-L245 HydrophobicContact CZ3-CD2 3.68Å; W241-L245 PolarHBondContact O-N 2.96Å; W241-L245 VanDerWaalsContact O-N 3.15Å; I243-L245 VanDerWaalsContact C-N 3.29Å; I243-L245 PolarHBondContact O-N 3.02Å; L245-Q247 VanDerWaalsContact C-N 3.34Å; L245-S248 PolarHBondContact O-OG 3.15Å; L245-A249 VanDerWaalsContact O-CB 3.29Å; L245-A249 WeakPolarHBondContact O-CB 3.43Å; L245-A249 PolarHBondContact O-N 3.47Å; L245-A249 VanDerWaalsContact O-N 3.11Å
246A91.7Very high91.2Very high0 Ų060.9 Ų60.90%032%0.317CS..Hα-helixtrans-63.8-41.4173.400000111.6W81 T105 S242 I243 C250W81-A246 HydrophobicContact CZ2-CB 3.97Å; T105-A246 HydrophobicContact CG2-CB 4.16Å; S242-A246 VanDerWaalsContact O-CB 3.26Å; S242-A246 WeakPolarHBondContact O-CB 3.45Å; S242-A246 PolarHBondContact O-N 3.36Å; I243-A246 PolarHBondContact O-N 3.44Å; A246-C250 WeakPolarHBondContact O-CB 3.41Å; A246-C250 PolarHBondContact O-N 3.28Å; A246-C250 VanDerWaalsContact O-N 3.08Å
247Q90.6Very high90.8Very high100 Ų10054.7 Ų54.747%0.46729%0.291SS..Hα-helixtrans-64.3-41177.5-75.3171.2-21.300112.9I243 T244 L245 I256I243-Q247 WeakPolarHBondContact O-CG 3.48Å; I243-Q247 PolarHBondContact O-N 2.82Å; T244-Q247 PolarHBondContact O-N 3.26Å; L245-Q247 VanDerWaalsContact C-N 3.34Å; Q247-I256 HydrophobicContact CB-CD1 4.27Å; Q247-I256 HydrophobicContact CG-CD1 3.91Å; Q247-I256 HydrophobicContact CG-CG2 4.37Å
248S90Very high90.4Very high85 Ų8555.9 Ų55.959%0.59430%0.296SS*.Hα-helixtrans-78.4-28.1-177.963.90000113.9T244 L245T244-S248 PolarHBondContact O-N 2.89Å; T244-S248 PolarHBondContact O-OG 3.32Å; L245-S248 PolarHBondContact O-OG 3.15Å
249A91.1Very high90Very high6 Ų655.1 Ų55.15%0.0530%0.296CS..Hα-helixtrans-98.6-14.3-175.800000114.5Y80 T84 Q98 L245Y80-A249 HydrophobicContact CD2-CB 3.82Å; Y80-A249 WeakPolarHBondContact CD2-O 3.23Å; Y80-A249 HydrophobicContact CE2-CB 3.81Å; T84-A249 HydrophobicContact CG2-CB 4.41Å; Q98-A249 PolarHBondContact NE2-O 2.94Å; Q98-A249 VanDerWaalsContact NE2-O 3.08Å; L245-A249 VanDerWaalsContact O-CB 3.29Å; L245-A249 WeakPolarHBondContact O-CB 3.43Å; L245-A249 PolarHBondContact O-N 3.47Å; L245-A249 VanDerWaalsContact O-N 3.11Å
250C92.7Very high89.8Confident16 Ų1656.8 Ų56.811%0.10831%0.306CS..  trans-74.8136178.9-167.90000111.2C103 A246 Q252 I256C103-C250 HydrophobicContact CB-CB 3.81Å; C103-C250 WeakPolarHBondContact CB-SG 3.35Å; C103-C250 WeakPolarHBondContact SG-CB 2.95Å; C103-C250 CovalentContact SG-SG 2.03Å; C103-C250 PolarHBondContact SG-SG 3.35Å; A246-C250 WeakPolarHBondContact O-CB 3.41Å; A246-C250 PolarHBondContact O-N 3.28Å; A246-C250 VanDerWaalsContact O-N 3.08Å; C250-Q252 PolarHBondContact SG-O 3.38Å; C250-I256 HydrophobicContact CB-CD1 4.39Å; C250-I256 HydrophobicContact CB-CG1 4.05Å
251L90.9Very high89.9Confident127 Ų12754.2 Ų54.267%0.66529%0.293SS*.SBendtrans-71.1-35.8179.4-70173.7000113.2Q98Q98-L251 HydrophobicContact CB-CD1 4.23Å; Q98-L251 HydrophobicContact CG-CD1 4.15Å; Q98-L251 HydrophobicContact CG-CG 4.45Å; Q98-L251 VanDerWaalsContact OE1-N 3.08Å
252Q91Very high90Very high73 Ų7352.7 Ų52.734%0.34129%0.289SS..  trans-121.7114.1-177.9-69.6-166.1-4.800109.6C250 E254 W255C250-Q252 PolarHBondContact SG-O 3.38Å; Q252-E254 HydrophobicContact CB-CG 4.17Å; Q252-E254 PolarHBondContact O-N 3.49Å; Q252-E254 VanDerWaalsContact O-N 3.17Å; Q252-E254 PolarHBondContact OE1-OE1 3.28Å; Q252-W255 HydrophobicContact CB-CD2 3.63Å; Q252-W255 HydrophobicContact CB-CE3 3.89Å; Q252-W255 HydrophobicContact CB-CG 3.9Å; Q252-W255 HydrophobicContact CB-CZ2 4.37Å; Q252-W255 HydrophobicContact CB-CZ3 4.34Å; Q252-W255 HydrophobicContact CG-CD2 4.23Å; Q252-W255 HydrophobicContact CG-CE3 4.29Å; Q252-W255 HydrophobicContact CG-CH2 4.16Å; Q252-W255 HydrophobicContact CG-CZ2 4.1Å; Q252-W255 HydrophobicContact CG-CZ3 4.24Å; Q252-W255 WeakPolarHBondContact O-CB 3.49Å; Q252-W255 PolarHBondContact O-N 3.27Å
253P87.3Confident90Very high96 Ų9653.8 Ų53.862%0.62329%0.294SS*.G310 helixtrans-55.7-32.3-178.7-26.835000114W255 I256P253-W255 PolarHBondContact O-N 3.49Å; P253-I256 HydrophobicContact CB-CD1 4.47Å; P253-I256 WeakPolarHBondContact O-CB 3.42Å; P253-I256 WeakPolarHBondContact O-CD1 3.26Å; P253-I256 VanDerWaalsContact O-CG1 3.31Å; P253-I256 WeakPolarHBondContact O-CG1 3.23Å; P253-I256 PolarHBondContact O-N 3.41Å; P253-I256 VanDerWaalsContact O-N 3.13Å
254E89.2Confident90.1Very high133 Ų13353.3 Ų53.362%0.62129%0.291SS*.G310 helixtrans-64.9-17.1176.758.5-91.8-150.600114.1Q252 I256Q252-E254 HydrophobicContact CB-CG 4.17Å; Q252-E254 PolarHBondContact O-N 3.49Å; Q252-E254 VanDerWaalsContact O-N 3.17Å; Q252-E254 PolarHBondContact OE1-OE1 3.28Å; E254-I256 VanDerWaalsContact C-N 3.28Å
255W90.4Very high90.3Very high47 Ų4749.9 Ų49.918%0.17827%0.272CS..G310 helixtrans-84.8-2175.6-62.7-7.9000113Q98 P100 C103 Q252 P253 H257Q98-W255 HydrophobicContact CB-CE3 4.44Å; Q98-W255 HydrophobicContact CB-CZ3 3.96Å; Q98-W255 WeakPolarHBondContact O-CZ3 3.32Å; P100-W255 HydrophobicContact CB-CD2 4.49Å; P100-W255 HydrophobicContact CB-CG 4.3Å; P100-W255 HydrophobicContact CG-CD2 4.41Å; P100-W255 HydrophobicContact CG-CZ2 4.07Å; C103-W255 HydrophobicContact CB-CB 4.01Å; C103-W255 VanDerWaalsContact CB-O 3.29Å; C103-W255 WeakPolarHBondContact CB-O 3.34Å; Q252-W255 HydrophobicContact CB-CD2 3.63Å; Q252-W255 HydrophobicContact CB-CE3 3.89Å; Q252-W255 HydrophobicContact CB-CG 3.9Å; Q252-W255 HydrophobicContact CB-CZ2 4.37Å; Q252-W255 HydrophobicContact CB-CZ3 4.34Å; Q252-W255 HydrophobicContact CG-CD2 4.23Å; Q252-W255 HydrophobicContact CG-CE3 4.29Å; Q252-W255 HydrophobicContact CG-CH2 4.16Å; Q252-W255 HydrophobicContact CG-CZ2 4.1Å; Q252-W255 HydrophobicContact CG-CZ3 4.24Å; Q252-W255 WeakPolarHBondContact O-CB 3.49Å; Q252-W255 PolarHBondContact O-N 3.27Å; P253-W255 PolarHBondContact O-N 3.49Å; W255-H257 PolarHBondContact O-CD2 3.14Å; W255-H257 PolarHBondContact O-N 3.4Å; W255-H257 PolarHBondContact O-NE2 2.96Å; W255-H257 VanDerWaalsContact O-NE2 3.12Å
256I88.9Confident90.6Very high35 Ų3549 Ų4918%0.17927%0.268CS..  trans-78.7110.9-178.1-60.7167.9000110.2C103 T105 Q247 C250 P253 E254 L258C103-I256 WeakPolarHBondContact O-CA 3.3Å; T105-I256 HydrophobicContact CG2-CG2 3.68Å; Q247-I256 HydrophobicContact CB-CD1 4.27Å; Q247-I256 HydrophobicContact CG-CD1 3.91Å; Q247-I256 HydrophobicContact CG-CG2 4.37Å; C250-I256 HydrophobicContact CB-CD1 4.39Å; C250-I256 HydrophobicContact CB-CG1 4.05Å; P253-I256 HydrophobicContact CB-CD1 4.47Å; P253-I256 WeakPolarHBondContact O-CB 3.42Å; P253-I256 WeakPolarHBondContact O-CD1 3.26Å; P253-I256 VanDerWaalsContact O-CG1 3.31Å; P253-I256 WeakPolarHBondContact O-CG1 3.23Å; P253-I256 PolarHBondContact O-N 3.41Å; P253-I256 VanDerWaalsContact O-N 3.13Å; E254-I256 VanDerWaalsContact C-N 3.28Å; I256-L258 PolarHBondContact O-N 3.02Å
257H85.6Confident90.9Very high61 Ų6149.3 Ų49.328%0.28227%0.27SS..BIsolated β-bridgetrans-94.790.4-178.1-60.5-70.6000112.1P100 C103 T105 W255 S259 T260P100-H257 PolarHBondContact O-NE2 2.96Å; C103-H257 PolarHBondContact O-N 3.1Å; T105-H257 PolarHBondContact OG1-O 3.3Å; W255-H257 PolarHBondContact O-CD2 3.14Å; W255-H257 PolarHBondContact O-N 3.4Å; W255-H257 PolarHBondContact O-NE2 2.96Å; W255-H257 VanDerWaalsContact O-NE2 3.12Å; H257-S259 PolarHBondContact O-N 2.77Å; H257-T260 HydrophobicContact CB-CG2 3.8Å; H257-T260 WeakPolarHBondContact O-CB 3.19Å; H257-T260 PolarHBondContact O-N 3.05Å; H257-T260 PolarHBondContact O-OG1 2.76Å
258L84.5Confident91.1Very high67 Ų6747.3 Ų47.335%0.35126%0.258SS..G310 helixtrans-62.9-24.7177.4-71.7168.7000113.8T105 I243 I256 T260 S261 F338T105-L258 HydrophobicContact CG2-CD2 4.38Å; I243-L258 HydrophobicContact CG2-CD2 3.97Å; I256-L258 PolarHBondContact O-N 3.02Å; L258-T260 PolarHBondContact O-N 3.11Å; L258-T260 VanDerWaalsContact O-N 3.14Å; L258-S261 WeakPolarHBondContact O-CB 3.33Å; L258-S261 PolarHBondContact O-N 3.13Å; L258-S261 VanDerWaalsContact O-N 3.11Å; L258-S261 PolarHBondContact O-OG 2.9Å; L258-F338 HydrophobicContact CD1-CE1 4.01Å; L258-F338 HydrophobicContact CD1-CZ 4.15Å
259S84.8Confident91.5Very high56 Ų5643.7 Ų43.739%0.39223%0.232SC..G310 helixtrans-64.2-12.1173.460.20000113.9H257H257-S259 PolarHBondContact O-N 2.77Å
260T87.2Confident91.8Very high43 Ų4343.7 Ų43.726%0.26423%0.232SC..G310 helixtrans-974.8176.9670000113.5E104 T105 H257 L258E104-T260 WeakPolarHBondContact CA-OG1 3.17Å; E104-T260 HydrophobicContact CB-CG2 4.21Å; E104-T260 WeakPolarHBondContact CB-OG1 3.49Å; E104-T260 HydrophobicContact CG-CG2 4.06Å; T105-T260 PolarHBondContact N-OG1 2.65Å; T105-T260 PolarHBondContact OG1-OG1 3.21Å; H257-T260 HydrophobicContact CB-CG2 3.8Å; H257-T260 WeakPolarHBondContact O-CB 3.19Å; H257-T260 PolarHBondContact O-N 3.05Å; H257-T260 PolarHBondContact O-OG1 2.76Å; L258-T260 PolarHBondContact O-N 3.11Å; L258-T260 VanDerWaalsContact O-N 3.14Å
261S92.1Very high92.1Very high13 Ų1342.9 Ų42.99%0.09123%0.227CC..SBendtrans-66152.6171.461.90000110.8T105 L258 M263 M264 G265T105-S261 PolarHBondContact OG1-N 3.31Å; T105-S261 VanDerWaalsContact OG1-N 3.13Å; L258-S261 WeakPolarHBondContact O-CB 3.33Å; L258-S261 PolarHBondContact O-N 3.13Å; L258-S261 VanDerWaalsContact O-N 3.11Å; L258-S261 PolarHBondContact O-OG 2.9Å; S261-M263 PolarHBondContact O-N 3.45Å; S261-M264 PolarHBondContact O-N 2.89Å; S261-M264 WeakPolarHBondContact OG-CB 3.47Å; S261-M264 WeakPolarHBondContact OG-CG 3.37Å; S261-G265 PolarHBondContact O-N 3.44Å
262L94.7Very high92.4Very high16 Ų1637.1 Ų37.18%0.08420%0.196CC..Hα-helixtrans-64.4-43.9-170.8-66.1-179.8000112.3K71 W72 P107 M264 G265 F266K71-L262 HydrophobicContact CB-CD1 4.09Å; K71-L262 HydrophobicContact CB-CD2 4.15Å; K71-L262 HydrophobicContact CD-CD2 3.79Å; W72-L262 HydrophobicContact CD2-CD1 3.96Å; W72-L262 HydrophobicContact CG-CD1 3.75Å; W72-L262 HydrophobicContact CZ2-CB 4.06Å; W72-L262 VanDerWaalsContact NE1-CD1 3.26Å; P107-L262 HydrophobicContact CG-CD1 4.25Å; L262-M264 VanDerWaalsContact C-N 3.32Å; L262-M264 PolarHBondContact O-N 3.01Å; L262-G265 WeakPolarHBondContact O-CA 3.29Å; L262-G265 PolarHBondContact O-N 3.36Å; L262-G265 VanDerWaalsContact O-N 3.08Å; L262-F266 HydrophobicContact CB-CE2 4.19Å; L262-F266 WeakPolarHBondContact O-CD2 3.48Å; L262-F266 PolarHBondContact O-N 2.89Å
263M94.3Very high92.7Very high27 Ų2734.3 Ų34.313%0.13319%0.186CC..Hα-helixtrans-64.9-35.8179.7-159.960.769.900112.5W72 F221 Y225 S228 S261 G265 F266 S267 L343W72-M263 HydrophobicContact CH2-CE 3.97Å; W72-M263 HydrophobicContact CZ2-CE 4.18Å; F221-M263 HydrophobicContact CE2-CG 4.33Å; F221-M263 HydrophobicContact CE2-SD 3.92Å; F221-M263 HydrophobicContact CZ-SD 4.25Å; Y225-M263 HydrophobicContact CD2-CE 4.34Å; S228-M263 VanDerWaalsContact OG-CE 3.23Å; S228-M263 WeakPolarHBondContact OG-CE 3.04Å; S261-M263 PolarHBondContact O-N 3.45Å; M263-G265 VanDerWaalsContact C-N 3.33Å; M263-F266 PolarHBondContact O-N 2.86Å; M263-S267 WeakPolarHBondContact O-CB 3.39Å; M263-S267 PolarHBondContact O-N 3.13Å; M263-L343 HydrophobicContact CB-CD2 3.9Å; M263-L343 HydrophobicContact CG-CD1 4.11Å; M263-L343 HydrophobicContact CG-CD2 3.49Å; M263-L343 VanDerWaalsContact CG-CD2 3.49Å; M263-L343 HydrophobicContact CG-CG 4.45Å; M263-L343 WeakPolarHBondContact O-CD2 3.47Å
264M93.8Very high93.3Very high15 Ų1530.8 Ų30.87%0.07416%0.162CC..Hα-helixtrans-64.1-39.8172.6-65.6-74.9-85.800111.3S261 L262 S267 R268 H342 L343 S346S261-M264 PolarHBondContact O-N 2.89Å; S261-M264 WeakPolarHBondContact OG-CB 3.47Å; S261-M264 WeakPolarHBondContact OG-CG 3.37Å; L262-M264 VanDerWaalsContact C-N 3.32Å; L262-M264 PolarHBondContact O-N 3.01Å; M264-S267 PolarHBondContact O-N 2.86Å; M264-R268 WeakPolarHBondContact O-CB 3.5Å; M264-R268 PolarHBondContact O-N 3.43Å; M264-H342 HydrophobicContact CE-CB 3.64Å; M264-H342 VanDerWaalsContact CE-O 3.25Å; M264-H342 WeakPolarHBondContact CE-O 2.95Å; M264-H342 HydrophobicContact SD-CB 3.81Å; M264-L343 HydrophobicContact CG-CD2 4.37Å; M264-L343 HydrophobicContact SD-CD2 3.94Å; M264-L343 HydrophobicContact SD-CG 4.34Å; M264-S346 WeakPolarHBondContact CE-OG 3.27Å; M264-S346 WeakPolarHBondContact O-CB 3.43Å; M264-S346 PolarHBondContact SD-OG 3.21Å
265G95.1Very high93.7Very high11 Ų1124.4 Ų24.411%0.11313%0.133CC..Hα-helixtrans-58.4-50.4172.100000112.7S261 L262 M263 S267 R268 I269S261-G265 PolarHBondContact O-N 3.44Å; L262-G265 WeakPolarHBondContact O-CA 3.29Å; L262-G265 PolarHBondContact O-N 3.36Å; L262-G265 VanDerWaalsContact O-N 3.08Å; M263-G265 VanDerWaalsContact C-N 3.33Å; G265-S267 VanDerWaalsContact C-N 3.33Å; G265-S267 PolarHBondContact O-N 3.46Å; G265-R268 WeakPolarHBondContact O-CB 3.41Å; G265-R268 PolarHBondContact O-N 2.87Å; G265-I269 WeakPolarHBondContact O-CG1 3.44Å; G265-I269 PolarHBondContact O-N 2.8Å
266F97.1Very high94Very high2 Ų222.3 Ų22.31%0.00913%0.125CC..Hα-helixtrans-62-40.1177.4-66.6-61.4000112.7W65 I69 W72 F221 A224 L262 M263 R268 I269 A270W65-F266 AromaticContact CD1-CD1 3.48Å; W65-F266 VanDerWaalsContact CD1-CD1 3.48Å; W65-F266 AromaticContact CD1-CE1 3.48Å; W65-F266 VanDerWaalsContact CD1-CE1 3.48Å; W65-F266 HydrophobicContact CD2-CE1 4.48Å; W65-F266 HydrophobicContact CG-CD1 4.32Å; W65-F266 AromaticContact CG-CE1 3.96Å; W65-F266 HydrophobicContact CG-CE1 3.96Å; W65-F266 AromaticContact NE1-CD1 3.85Å; W65-F266 AromaticContact NE1-CE1 3.73Å; I69-F266 HydrophobicContact CD1-CE1 4.18Å; I69-F266 HydrophobicContact CD1-CZ 3.78Å; I69-F266 HydrophobicContact CG1-CE1 4.35Å; I69-F266 HydrophobicContact CG1-CZ 4.18Å; W72-F266 AromaticContact CE3-CE2 3.98Å; W72-F266 HydrophobicContact CE3-CE2 3.98Å; W72-F266 HydrophobicContact CE3-CZ 4.21Å; W72-F266 AromaticContact CH2-CD2 3.86Å; W72-F266 HydrophobicContact CH2-CD2 3.86Å; W72-F266 AromaticContact CH2-CE2 3.33Å; W72-F266 HydrophobicContact CH2-CE2 3.33Å; W72-F266 HydrophobicContact CH2-CZ 4.25Å; W72-F266 HydrophobicContact CZ2-CE2 4.02Å; W72-F266 HydrophobicContact CZ3-CD2 4.19Å; W72-F266 AromaticContact CZ3-CE2 3.3Å; W72-F266 HydrophobicContact CZ3-CE2 3.3Å; W72-F266 AromaticContact CZ3-CZ 3.77Å; W72-F266 HydrophobicContact CZ3-CZ 3.77Å; F221-F266 HydrophobicContact CD2-CB 3.97Å; F221-F266 HydrophobicContact CE2-CB 4.48Å; A224-F266 HydrophobicContact CB-CB 4.03Å; A224-F266 HydrophobicContact CB-CD1 3.67Å; A224-F266 HydrophobicContact CB-CD2 3.48Å; A224-F266 VanDerWaalsContact CB-CD2 3.48Å; A224-F266 HydrophobicContact CB-CE1 3.91Å; A224-F266 HydrophobicContact CB-CE2 3.76Å; A224-F266 HydrophobicContact CB-CG 3.44Å; A224-F266 VanDerWaalsContact CB-CG 3.44Å; A224-F266 HydrophobicContact CB-CZ 3.95Å; L262-F266 HydrophobicContact CB-CE2 4.19Å; L262-F266 WeakPolarHBondContact O-CD2 3.48Å; L262-F266 PolarHBondContact O-N 2.89Å; M263-F266 PolarHBondContact O-N 2.86Å; F266-R268 VanDerWaalsContact C-N 3.34Å; F266-R268 PolarHBondContact O-N 3.02Å; F266-I269 HydrophobicContact CD1-CD1 4.45Å; F266-I269 PolarHBondContact O-N 3.11Å; F266-A270 PolarHBondContact O-N 3.05Å
267S96.6Very high94.4Very high6 Ų620.7 Ų20.74%0.04212%0.116CC..Hα-helixtrans-61.2-43.3175.2-171.90000111.7M263 M264 G265 I269 A270 G271 L343 F347M263-S267 WeakPolarHBondContact O-CB 3.39Å; M263-S267 PolarHBondContact O-N 3.13Å; M264-S267 PolarHBondContact O-N 2.86Å; G265-S267 VanDerWaalsContact C-N 3.33Å; G265-S267 PolarHBondContact O-N 3.46Å; S267-I269 VanDerWaalsContact C-N 3.32Å; S267-I269 PolarHBondContact O-N 3.42Å; S267-A270 PolarHBondContact O-N 3.22Å; S267-G271 PolarHBondContact O-N 3.5Å; S267-L343 PolarHBondContact OG-O 3.09Å; S267-F347 WeakPolarHBondContact OG-CB 3.29Å; S267-F347 PolarHBondContact OG-N 3.39Å
268R96.7Very high94.9Very high58 Ų5821.1 Ų21.122%0.21912%0.12CC..Hα-helixtrans-62.5-36.8175.6-174.317561.9-136.1-3.7112.6D64 M264 G265 F266 G271 T272 S346D64-R268 IonicContact OD2-NH2 3.87Å; M264-R268 WeakPolarHBondContact O-CB 3.5Å; M264-R268 PolarHBondContact O-N 3.43Å; G265-R268 WeakPolarHBondContact O-CB 3.41Å; G265-R268 PolarHBondContact O-N 2.87Å; F266-R268 VanDerWaalsContact C-N 3.34Å; F266-R268 PolarHBondContact O-N 3.02Å; R268-G271 PolarHBondContact O-N 2.87Å; R268-T272 WeakPolarHBondContact O-CB 3.44Å; R268-T272 PolarHBondContact O-N 3.48Å; R268-T272 PolarHBondContact O-OG1 3.27Å; R268-S346 WeakPolarHBondContact CA-O 3.3Å
269I97.6Very high95.5Very high9 Ų917.9 Ų17.95%0.04610%0.104CC..Hα-helixtrans-65.7-42.5175.2-66164.7000110.8A61 D64 W65 G265 F266 S267 G271 T272 A273A61-I269 HydrophobicContact CB-CG2 4.21Å; D64-I269 HydrophobicContact CB-CD1 3.92Å; D64-I269 HydrophobicContact CB-CG1 4.43Å; W65-I269 HydrophobicContact CB-CD1 3.93Å; G265-I269 WeakPolarHBondContact O-CG1 3.44Å; G265-I269 PolarHBondContact O-N 2.8Å; F266-I269 HydrophobicContact CD1-CD1 4.45Å; F266-I269 PolarHBondContact O-N 3.11Å; S267-I269 VanDerWaalsContact C-N 3.32Å; S267-I269 PolarHBondContact O-N 3.42Å; I269-G271 VanDerWaalsContact C-N 3.34Å; I269-G271 PolarHBondContact O-N 3.2Å; I269-T272 WeakPolarHBondContact O-CB 3.33Å; I269-T272 PolarHBondContact O-N 3.01Å; I269-A273 PolarHBondContact O-N 2.6Å
270A98Very high96Very high6 Ų615.3 Ų15.35%0.059%0.086CC..Hα-helixtrans-63.6-40.1174.600000112.3G217 F221 F266 S267 A273 T274 F347G217-A270 WeakPolarHBondContact O-CB 3.45Å; F221-A270 HydrophobicContact CB-CB 4.03Å; F266-A270 PolarHBondContact O-N 3.05Å; S267-A270 PolarHBondContact O-N 3.22Å; A270-A273 PolarHBondContact O-N 3.17Å; A270-T274 WeakPolarHBondContact O-CB 3.32Å; A270-T274 PolarHBondContact O-N 3.07Å; A270-T274 PolarHBondContact O-OG1 3.14Å; A270-F347 HydrophobicContact CB-CD2 4.12Å; A270-F347 HydrophobicContact CB-CE2 4.21Å
271G98.2Very high96.3Very high0 Ų019.9 Ų19.90%010%0.098CC..Hα-helixtrans-59.5-45.8171.200000112.1S267 R268 I269 A273 T274 G275 F347 T351S267-G271 PolarHBondContact O-N 3.5Å; R268-G271 PolarHBondContact O-N 2.87Å; I269-G271 VanDerWaalsContact C-N 3.34Å; I269-G271 PolarHBondContact O-N 3.2Å; G271-A273 PolarHBondContact O-N 2.94Å; G271-T274 CarbonylContact O-C 3.31Å; G271-T274 WeakPolarHBondContact O-CA 3.44Å; G271-T274 WeakPolarHBondContact O-CB 3.42Å; G271-T274 PolarHBondContact O-N 3.41Å; G271-T274 VanDerWaalsContact O-N 3.08Å; G271-G275 PolarHBondContact O-N 2.82Å; G271-F347 VanDerWaalsContact CA-O 3.24Å; G271-F347 WeakPolarHBondContact CA-O 3.45Å; G271-F347 VanDerWaalsContact N-CD2 3.33Å; G271-T351 WeakPolarHBondContact CA-OG1 3.36Å; G271-T351 VanDerWaalsContact O-CA 3.29Å; G271-T351 WeakPolarHBondContact O-CA 3.31Å; G271-T351 PolarHBondContact O-OG1 3.41Å
272T98Very high96.4Very high5 Ų524 Ų243%0.03112%0.118CC..Hα-helixtrans-57.3-48.1177.6-59.10000111.5Y38 I57 R268 I269 T274 L276 G350 P354Y38-T272 HydrophobicContact CD1-CG2 3.84Å; Y38-T272 HydrophobicContact CE1-CG2 3.85Å; I57-T272 HydrophobicContact CD1-CG2 3.42Å; I57-T272 VanDerWaalsContact CD1-CG2 3.42Å; I57-T272 HydrophobicContact CG1-CG2 3.81Å; R268-T272 WeakPolarHBondContact O-CB 3.44Å; R268-T272 PolarHBondContact O-N 3.48Å; R268-T272 PolarHBondContact O-OG1 3.27Å; I269-T272 WeakPolarHBondContact O-CB 3.33Å; I269-T272 PolarHBondContact O-N 3.01Å; T272-T274 VanDerWaalsContact C-N 3.3Å; T272-T274 PolarHBondContact O-N 2.99Å; T272-L276 VanDerWaalsContact O-CB 3.3Å; T272-L276 WeakPolarHBondContact O-CB 3.46Å; T272-L276 PolarHBondContact O-N 3.29Å; T272-G350 VanDerWaalsContact CA-O 3.25Å; T272-G350 WeakPolarHBondContact CA-O 3.44Å; T272-G350 PolarHBondContact N-O 3.4Å; T272-P354 HydrophobicContact CG2-CG 3.84Å
273A97.6Very high96.2Very high14 Ų1425 Ų2512%0.11612%0.122CC..Hα-helixtrans-63.4-37.2176.700000112.2L213 I269 A270 G271 S277L213-A273 WeakPolarHBondContact O-CB 3.48Å; I269-A273 PolarHBondContact O-N 2.6Å; A270-A273 PolarHBondContact O-N 3.17Å; G271-A273 PolarHBondContact O-N 2.94Å; A273-S277 WeakPolarHBondContact O-CB 3.31Å; A273-S277 PolarHBondContact O-N 3.05Å
274T98Very high95.8Very high22 Ų2227.6 Ų27.614%0.13514%0.141CC..Hα-helixtrans-67-50.7177.1-600000112.1L214 A270 G271 T272 L276 S277 L278 F347L214-T274 HydrophobicContact CD2-CG2 3.73Å; A270-T274 WeakPolarHBondContact O-CB 3.32Å; A270-T274 PolarHBondContact O-N 3.07Å; A270-T274 PolarHBondContact O-OG1 3.14Å; G271-T274 CarbonylContact O-C 3.31Å; G271-T274 WeakPolarHBondContact O-CA 3.44Å; G271-T274 WeakPolarHBondContact O-CB 3.42Å; G271-T274 PolarHBondContact O-N 3.41Å; G271-T274 VanDerWaalsContact O-N 3.08Å; T272-T274 VanDerWaalsContact C-N 3.3Å; T272-T274 PolarHBondContact O-N 2.99Å; T274-L276 VanDerWaalsContact C-N 3.25Å; T274-L276 PolarHBondContact O-N 3.04Å; T274-S277 WeakPolarHBondContact O-CB 3.29Å; T274-S277 PolarHBondContact O-N 3.32Å; T274-L278 HydrophobicContact CG2-CD1 3.92Å; T274-L278 HydrophobicContact CG2-CG 4.32Å; T274-L278 WeakPolarHBondContact O-CG 3.03Å; T274-L278 PolarHBondContact O-N 3.4Å; T274-F347 HydrophobicContact CG2-CZ 3.85Å; T274-F347 WeakPolarHBondContact OG1-CZ 3.25Å
275G97.9Very high95.4Very high0 Ų027.5 Ų27.50%014%0.141CC..Hα-helixtrans-59.8-40.1178.500000111.7G271 G279 T351G271-G275 PolarHBondContact O-N 2.82Å; G275-G279 PolarHBondContact O-N 2.94Å; G275-T351 VanDerWaalsContact CA-CG2 3.48Å; G275-T351 WeakPolarHBondContact CA-O 3.43Å
276L97.1Very high94.3Very high3 Ų332.3 Ų32.32%0.01616%0.161CC..Hα-helixtrans-65.7-45.9176.3-173.465.8000111.8F42 I54 I57 L213 T272 T274 G279 L280 P354 V358F42-L276 HydrophobicContact CZ-CD1 4.19Å; I54-L276 HydrophobicContact CD1-CD1 3.42Å; I54-L276 VanDerWaalsContact CD1-CD1 3.42Å; I54-L276 HydrophobicContact CD1-CD2 4.11Å; I54-L276 HydrophobicContact CD1-CG 4.24Å; I54-L276 HydrophobicContact CG2-CD2 4.47Å; I57-L276 HydrophobicContact CG2-CD2 3.9Å; L213-L276 HydrophobicContact CD1-CB 4.35Å; L213-L276 HydrophobicContact CD1-CD2 3.74Å; L213-L276 HydrophobicContact CD1-CG 3.88Å; L213-L276 HydrophobicContact CD2-CD2 4.45Å; T272-L276 VanDerWaalsContact O-CB 3.3Å; T272-L276 WeakPolarHBondContact O-CB 3.46Å; T272-L276 PolarHBondContact O-N 3.29Å; T274-L276 VanDerWaalsContact C-N 3.25Å; T274-L276 PolarHBondContact O-N 3.04Å; L276-G279 PolarHBondContact O-N 3.24Å; L276-L280 HydrophobicContact CD1-CD1 4.28Å; L276-L280 HydrophobicContact CD1-CG 4.46Å; L276-L280 HydrophobicContact CG-CD1 4.04Å; L276-L280 WeakPolarHBondContact O-CB 3.12Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.42Å; L276-L280 PolarHBondContact O-N 3.46Å; L276-P354 HydrophobicContact CB-CB 3.96Å; L276-P354 HydrophobicContact CD1-CB 4.47Å; L276-V358 HydrophobicContact CD1-CG2 3.74Å
277S97.1Very high92.7Very high0 Ų037 Ų370%018%0.181CC..Hα-helixtrans-58.9-50.5175.81760000112.2P210 L214 A273 T274 G279 L280 R281P210-S277 WeakPolarHBondContact O-CB 3.34Å; P210-S277 PolarHBondContact O-OG 3.13Å; L214-S277 WeakPolarHBondContact CG-OG 3.17Å; A273-S277 WeakPolarHBondContact O-CB 3.31Å; A273-S277 PolarHBondContact O-N 3.05Å; T274-S277 WeakPolarHBondContact O-CB 3.29Å; T274-S277 PolarHBondContact O-N 3.32Å; S277-G279 VanDerWaalsContact C-N 3.31Å; S277-G279 PolarHBondContact O-N 3.11Å; S277-L280 PolarHBondContact O-N 3.08Å; S277-R281 WeakPolarHBondContact O-CG 3.33Å; S277-R281 PolarHBondContact O-N 3.4Å
278L97.2Very high91.2Very high70 Ų7044.5 Ų44.537%0.36621%0.213SC..Hα-helixtrans-61.3-43.2-179.5-70175.1000110.9T274 R281 L282 F355T274-L278 HydrophobicContact CG2-CD1 3.92Å; T274-L278 HydrophobicContact CG2-CG 4.32Å; T274-L278 WeakPolarHBondContact O-CG 3.03Å; T274-L278 PolarHBondContact O-N 3.4Å; L278-R281 PolarHBondContact O-N 2.87Å; L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.24Å; L278-L282 VanDerWaalsContact O-N 3.1Å; L278-F355 HydrophobicContact CB-CD2 3.79Å; L278-F355 HydrophobicContact CB-CE2 3.84Å
279G96.4Very high89.8Confident0 Ų047.1 Ų47.10%023%0.228CC..Hα-helixtrans-59.3-5017700000112.1G275 L276 S277 R281 L282 K283 V358G275-G279 PolarHBondContact O-N 2.94Å; L276-G279 PolarHBondContact O-N 3.24Å; S277-G279 VanDerWaalsContact C-N 3.31Å; S277-G279 PolarHBondContact O-N 3.11Å; G279-R281 VanDerWaalsContact C-N 3.32Å; G279-R281 PolarHBondContact O-N 3.37Å; G279-L282 PolarHBondContact O-N 2.97Å; G279-K283 PolarHBondContact O-N 2.98Å; G279-V358 VanDerWaalsContact C-CG1 3.4Å
280L94.7Very high88.8Confident2 Ų248.8 Ų48.81%0.0124%0.24CC..Hα-helixtrans-66.8-29.9179.9-71.4173.2000113.1L207 P210 L213 L276 S277 K283 P284 T285 V358L207-L280 HydrophobicContact CD2-CD1 4.29Å; L207-L280 HydrophobicContact CD2-CD2 3.71Å; P210-L280 HydrophobicContact CB-CB 3.78Å; P210-L280 HydrophobicContact CB-CD1 4.43Å; P210-L280 HydrophobicContact CG-CB 4.3Å; L213-L280 HydrophobicContact CD1-CD1 3.97Å; L276-L280 HydrophobicContact CD1-CD1 4.28Å; L276-L280 HydrophobicContact CD1-CG 4.46Å; L276-L280 HydrophobicContact CG-CD1 4.04Å; L276-L280 WeakPolarHBondContact O-CB 3.12Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.42Å; L276-L280 PolarHBondContact O-N 3.46Å; S277-L280 PolarHBondContact O-N 3.08Å; L280-K283 CarbonylContact O-C 3.57Å; L280-K283 VanDerWaalsContact O-C 3.31Å; L280-P284 WeakPolarHBondContact O-CA 3.44Å; L280-P284 VanDerWaalsContact O-N 3.11Å; L280-T285 VanDerWaalsContact CD2-OG1 3.28Å; L280-T285 WeakPolarHBondContact CD2-OG1 3.47Å; L280-V358 HydrophobicContact CD2-CG1 3.75Å; L280-V358 HydrophobicContact CG-CG1 3.99Å
281R93.7Very high87.7Confident138 Ų13849.1 Ų49.152%0.52124%0.241SC..Hα-helixtrans-68.2-43.8173.6-77.5179.968.7146.9-5.9112.2P210 N211 S277 L278 G279P210-R281 HydrophobicContact CB-CG 4.06Å; P210-R281 HydrophobicContact CG-CG 3.55Å; N211-R281 WeakPolarHBondContact OD1-CD 3.5Å; N211-R281 PolarHBondContact OD1-NH1 3.31Å; S277-R281 WeakPolarHBondContact O-CG 3.33Å; S277-R281 PolarHBondContact O-N 3.4Å; L278-R281 PolarHBondContact O-N 2.87Å; G279-R281 VanDerWaalsContact C-N 3.32Å; G279-R281 PolarHBondContact O-N 3.37Å
282L94.3Very high86.7Confident100 Ų10049.3 Ų49.352%0.52424%0.243SC..Hα-helixtrans-76.8-30.7-177.3-65.8176.7000112.2L278 G279 F355 F359L278-L282 WeakPolarHBondContact O-CG 3.4Å; L278-L282 PolarHBondContact O-N 3.24Å; L278-L282 VanDerWaalsContact O-N 3.1Å; G279-L282 PolarHBondContact O-N 2.97Å; L282-F355 HydrophobicContact CD1-CE2 3.68Å; L282-F355 HydrophobicContact CD1-CZ 3.81Å; L282-F359 HydrophobicContact CB-CD1 4.35Å; L282-F359 HydrophobicContact CB-CD2 3.51Å; L282-F359 HydrophobicContact CB-CE1 4.41Å; L282-F359 HydrophobicContact CB-CE2 3.61Å; L282-F359 HydrophobicContact CB-CG 3.91Å; L282-F359 HydrophobicContact CB-CZ 4.07Å; L282-F359 HydrophobicContact CD1-CD1 3.7Å; L282-F359 HydrophobicContact CD1-CD2 4.35Å; L282-F359 HydrophobicContact CD1-CE1 3.57Å; L282-F359 HydrophobicContact CD1-CE2 4.26Å; L282-F359 HydrophobicContact CD1-CG 4.09Å; L282-F359 HydrophobicContact CD1-CZ 3.87Å
283K90.6Very high85.2Confident36 Ų3651 Ų5116%0.15726%0.261CS..SBendtrans-134.485172.9-168.6-172-168.1102.10110.1G279 L280 T285 V358 F359 P362 N366G279-K283 PolarHBondContact O-N 2.98Å; L280-K283 CarbonylContact O-C 3.57Å; L280-K283 VanDerWaalsContact O-C 3.31Å; K283-T285 WeakPolarHBondContact O-CG2 3.37Å; K283-T285 PolarHBondContact O-N 3.17Å; K283-V358 WeakPolarHBondContact CD-O 3.34Å; K283-F359 HydrophobicContact CB-CD2 4.02Å; K283-P362 HydrophobicContact CD-CB 3.62Å; K283-P362 PolarHBondContact NZ-O 3.03Å; K283-N366 PolarHBondContact NZ-ND2 3.33Å
284P87.3Confident83.8Confident83 Ų8352.3 Ų52.354%0.53927%0.267SS..  trans-55.2128.7174.5-25.234.8000110.3L280L280-P284 WeakPolarHBondContact O-CA 3.44Å; L280-P284 VanDerWaalsContact O-N 3.11Å
285T83.5Confident82.6Confident12 Ų1256.3 Ų56.37%0.07429%0.288CS..  trans-114.1127.9178.655.80000110.7Y46 L207 L280 K283 V291Y46-T285 WeakPolarHBondContact OH-CG2 3.27Å; Y46-T285 PolarHBondContact OH-OG1 2.97Å; L207-T285 WeakPolarHBondContact CD2-OG1 3.41Å; L280-T285 VanDerWaalsContact CD2-OG1 3.28Å; L280-T285 WeakPolarHBondContact CD2-OG1 3.47Å; K283-T285 WeakPolarHBondContact O-CG2 3.37Å; K283-T285 PolarHBondContact O-N 3.17Å; T285-V291 HydrophobicContact CG2-CG2 4.34Å
286H72Confident82Confident112 Ų11258.2 Ų58.252%0.51930%0.301SS..  trans-99.9158.3-179.3-62.7-78.4000112Q289H286-Q289 PolarHBondContact O-N 3.4Å
287F65.2Low81.6Confident100 Ų10063.6 Ų63.644%0.43933%0.33SS..THydrogen-bonded Turntrans-57.4137.2179.2179.9-115.7000111.9Q289F287-Q289 PolarHBondContact O-N 3.13Å; F287-Q289 VanDerWaalsContact O-N 3.12Å
288K64.3Low81.2Confident165 Ų16568.1 Ų68.172%0.71736%0.359SS*.THydrogen-bonded Turntrans61.27.1-179.7-67.7174.9173.6175.30116.6
289Q67.7Low80.8Confident113 Ų11367.1 Ų67.153%0.52835%0.353SS..  trans-87130.8177.1-165169.118.400110.8H286 F287 V291H286-Q289 PolarHBondContact O-N 3.4Å; F287-Q289 PolarHBondContact O-N 3.13Å; F287-Q289 VanDerWaalsContact O-N 3.12Å; Q289-V291 PolarHBondContact O-N 2.92Å
290S75.6Confident80.5Confident43 Ų4368 Ų6830%0.30136%0.358SS..  trans-64.2122.6171.763.40000109.7L292 G293 N295S290-L292 VanDerWaalsContact C-N 3.33Å; S290-G293 WeakPolarHBondContact OG-CA 3.46Å; S290-N295 WeakPolarHBondContact CB-OD1 3.46Å
291V75Confident80.4Confident13 Ų1372.7 Ų72.78%0.07938%0.383CS..THydrogen-bonded Turntrans-71-33-178.31760000112.1Y46 P50 T285 Q289 P362 N366Y46-V291 HydrophobicContact CE1-CB 4.49Å; Y46-V291 HydrophobicContact CE1-CG1 3.95Å; Y46-V291 HydrophobicContact CE1-CG2 4.01Å; P50-V291 HydrophobicContact CB-CG2 4.37Å; P50-V291 HydrophobicContact CG-CG2 3.37Å; T285-V291 HydrophobicContact CG2-CG2 4.34Å; Q289-V291 PolarHBondContact O-N 2.92Å; V291-P362 HydrophobicContact CG1-CB 3.43Å; V291-P362 VanDerWaalsContact CG1-CB 3.43Å; V291-P362 HydrophobicContact CG1-CG 3.31Å; V291-N366 PolarHBondContact O-OD1 2.89Å
292L77.6Confident80.4Confident5 Ų571.4 Ų71.43%0.02638%0.381CS..THydrogen-bonded Turntrans-93.37.5-176.7-57.3173.3000113Y47 S290 T294 I299 I300 M365Y47-L292 HydrophobicContact CD1-CD1 4.17Å; Y47-L292 HydrophobicContact CD1-CD2 4.21Å; Y47-L292 HydrophobicContact CD1-CG 4.18Å; Y47-L292 HydrophobicContact CD2-CD1 4.37Å; Y47-L292 HydrophobicContact CE1-CD2 4.11Å; Y47-L292 HydrophobicContact CG-CD1 3.98Å; Y47-L292 HydrophobicContact CG-CG 4.5Å; S290-L292 VanDerWaalsContact C-N 3.33Å; L292-T294 PolarHBondContact O-N 3.35Å; L292-I299 HydrophobicContact CB-CG2 4.16Å; L292-I299 HydrophobicContact CD1-CG2 4.02Å; L292-I300 HydrophobicContact CD1-CG1 4.08Å; L292-M365 HydrophobicContact CD2-CB 4.2Å; L292-M365 HydrophobicContact CD2-CG 4.16Å
293G66.3Low80.3Confident40 Ų4066.7 Ų66.741%0.41236%0.356SS..SBendtrans72.1-10.7-173.200000115.1S290S290-G293 WeakPolarHBondContact OG-CA 3.46Å
294T69.2Low80.5Confident41 Ų4165.9 Ų65.925%0.25235%0.353SS..SBendtrans-153.7152.6177.9171.30000109.7L292 S296 I299L292-T294 PolarHBondContact O-N 3.35Å; T294-S296 PolarHBondContact OG1-N 3.45Å; T294-I299 HydrophobicContact CG2-CB 4.44Å; T294-I299 HydrophobicContact CG2-CD1 3.33Å; T294-I299 HydrophobicContact CG2-CG1 4.44Å; T294-I299 HydrophobicContact CG2-CG2 4.15Å
295N72.5Confident80.9Confident107 Ų10766.5 Ų66.557%0.57235%0.352SS*.  trans-104.622.8178.4-66-15.3000112.1S290 L297S290-N295 WeakPolarHBondContact CB-OD1 3.46Å; N295-L297 PolarHBondContact O-N 2.63Å
296S84.8Confident81.5Confident40 Ų4068.5 Ų68.528%0.2836%0.361SS..  trans-67.6133.5179.6800000111.2T294 P298 I299 I300T294-S296 PolarHBondContact OG1-N 3.45Å; S296-P298 VanDerWaalsContact C-CD 3.47Å; S296-I299 PolarHBondContact O-N 3.39Å; S296-I299 VanDerWaalsContact O-N 3.15Å; S296-I299 VanDerWaalsContact OG-CB 3.32Å; S296-I299 WeakPolarHBondContact OG-CB 3.21Å; S296-I299 VanDerWaalsContact OG-CD1 3.29Å; S296-I299 WeakPolarHBondContact OG-CD1 3.5Å; S296-I299 VanDerWaalsContact OG-CG1 3.24Å; S296-I299 WeakPolarHBondContact OG-CG1 3.36Å; S296-I300 PolarHBondContact O-N 2.91Å
297L87.7Confident82.7Confident116 Ų11663.1 Ų63.161%0.60734%0.337SS*.Hα-helixtrans-55.3-42.9-179.5-178.664.9000113.3N295 I299 I300 L301N295-L297 PolarHBondContact O-N 2.63Å; L297-I299 VanDerWaalsContact C-N 3.31Å; L297-I299 PolarHBondContact O-N 3.24Å; L297-I300 PolarHBondContact O-N 2.96Å; L297-L301 HydrophobicContact CD1-CD1 4.22Å; L297-L301 HydrophobicContact CD1-CG 4.08Å; L297-L301 HydrophobicContact CG-CD1 3.98Å; L297-L301 HydrophobicContact CG-CG 4.28Å; L297-L301 WeakPolarHBondContact O-CG 3.35Å; L297-L301 PolarHBondContact O-N 3.18Å
298P89.7Confident84.2Confident95 Ų9560.5 Ų60.562%0.61733%0.328SS*.Hα-helixtrans-60.4-39.5178.1-24.235.4000113S296 L301 F302S296-P298 VanDerWaalsContact C-CD 3.47Å; P298-L301 PolarHBondContact O-N 3.5Å; P298-F302 VanDerWaalsContact O-CB 3.26Å; P298-F302 WeakPolarHBondContact O-CB 3.36Å; P298-F302 PolarHBondContact O-N 3.44Å
299I87.8Confident85.7Confident48 Ų4857.4 Ų57.425%0.24632%0.319CS..Hα-helixtrans-70-39.2179.3-71.2175.6000111L292 T294 S296 L297 S303 M365L292-I299 HydrophobicContact CB-CG2 4.16Å; L292-I299 HydrophobicContact CD1-CG2 4.02Å; T294-I299 HydrophobicContact CG2-CB 4.44Å; T294-I299 HydrophobicContact CG2-CD1 3.33Å; T294-I299 HydrophobicContact CG2-CG1 4.44Å; T294-I299 HydrophobicContact CG2-CG2 4.15Å; S296-I299 PolarHBondContact O-N 3.39Å; S296-I299 VanDerWaalsContact O-N 3.15Å; S296-I299 VanDerWaalsContact OG-CB 3.32Å; S296-I299 WeakPolarHBondContact OG-CB 3.21Å; S296-I299 VanDerWaalsContact OG-CD1 3.29Å; S296-I299 WeakPolarHBondContact OG-CD1 3.5Å; S296-I299 VanDerWaalsContact OG-CG1 3.24Å; S296-I299 WeakPolarHBondContact OG-CG1 3.36Å; L297-I299 VanDerWaalsContact C-N 3.31Å; L297-I299 PolarHBondContact O-N 3.24Å; I299-S303 VanDerWaalsContact O-CB 3.29Å; I299-S303 WeakPolarHBondContact O-CB 3.32Å; I299-S303 PolarHBondContact O-N 3Å; I299-S303 PolarHBondContact O-OG 3.33Å; I299-M365 HydrophobicContact CG2-CE 3.75Å
300I90.4Very high87Confident19 Ų1953.9 Ų53.910%0.09731%0.306CS..Hα-helixtrans-61.4-50.8173.6-66.6171.2000109.8L292 S296 L297 F302 S303 L304L292-I300 HydrophobicContact CD1-CG1 4.08Å; S296-I300 PolarHBondContact O-N 2.91Å; L297-I300 PolarHBondContact O-N 2.96Å; I300-F302 PolarHBondContact O-N 3.21Å; I300-S303 PolarHBondContact O-N 3.38Å; I300-L304 HydrophobicContact CG2-CD1 4.01Å; I300-L304 HydrophobicContact CG2-CG 4.38Å; I300-L304 VanDerWaalsContact O-CG 3.29Å; I300-L304 WeakPolarHBondContact O-CG 3.36Å; I300-L304 PolarHBondContact O-N 3.06Å
301L93.2Very high88Confident101 Ų10151.8 Ų51.853%0.52929%0.292SS..Hα-helixtrans-61.1-42.8-179.9-68.7175.4000112.3L297 P298 L304 L305L297-L301 HydrophobicContact CD1-CD1 4.22Å; L297-L301 HydrophobicContact CD1-CG 4.08Å; L297-L301 HydrophobicContact CG-CD1 3.98Å; L297-L301 HydrophobicContact CG-CG 4.28Å; L297-L301 WeakPolarHBondContact O-CG 3.35Å; L297-L301 PolarHBondContact O-N 3.18Å; P298-L301 PolarHBondContact O-N 3.5Å; L301-L304 PolarHBondContact O-N 2.99Å; L301-L305 PolarHBondContact O-N 3.36Å
302F92.6Very high89Confident111 Ų11156.1 Ų56.149%0.48731%0.307SS..Hα-helixtrans-63.4-42.8175.8-177.8-110.1000111.9P298 I300 L304 L305 I306 M365P298-F302 VanDerWaalsContact O-CB 3.26Å; P298-F302 WeakPolarHBondContact O-CB 3.36Å; P298-F302 PolarHBondContact O-N 3.44Å; I300-F302 PolarHBondContact O-N 3.21Å; F302-L304 PolarHBondContact O-N 3.35Å; F302-L305 WeakPolarHBondContact O-CB 3.08Å; F302-L305 PolarHBondContact O-N 3.08Å; F302-I306 HydrophobicContact CD1-CD1 3.81Å; F302-I306 HydrophobicContact CE1-CD1 3.38Å; F302-I306 HydrophobicContact CE1-CG1 4.4Å; F302-I306 HydrophobicContact CE2-CD1 4.4Å; F302-I306 HydrophobicContact CG-CD1 4.5Å; F302-I306 HydrophobicContact CZ-CD1 3.72Å; F302-I306 HydrophobicContact CZ-CG1 4.39Å; F302-I306 WeakPolarHBondContact O-CG1 3.43Å; F302-I306 PolarHBondContact O-N 3.34Å; F302-M365 HydrophobicContact CD1-CE 4Å; F302-M365 HydrophobicContact CD1-SD 4.22Å; F302-M365 HydrophobicContact CE1-CE 4.45Å; F302-M365 HydrophobicContact CE1-SD 4.23Å
303S93.2Very high89.9Confident0 Ų061.6 Ų61.60%033%0.331CS..Hα-helixtrans-63.1-42.2176.2-580000111.4I299 I300 L305 I306 V307I299-S303 VanDerWaalsContact O-CB 3.29Å; I299-S303 WeakPolarHBondContact O-CB 3.32Å; I299-S303 PolarHBondContact O-N 3Å; I299-S303 PolarHBondContact O-OG 3.33Å; I300-S303 PolarHBondContact O-N 3.38Å; S303-L305 VanDerWaalsContact C-N 3.35Å; S303-L305 PolarHBondContact O-N 2.99Å; S303-I306 PolarHBondContact O-N 3.44Å; S303-V307 WeakPolarHBondContact O-CG2 3.49Å; S303-V307 PolarHBondContact O-N 3.02Å
304L95Very high91.3Very high19 Ų1963.9 Ų63.910%0.09933%0.332CS..Hα-helixtrans-62.2-41.8175.4-68.9174000112.1P43 Y47 I300 L301 F302 I306 V307 V308P43-L304 VanDerWaalsContact C-CD2 3.4Å; P43-L304 HydrophobicContact CB-CD2 3.66Å; Y47-L304 HydrophobicContact CD2-CD2 3.66Å; Y47-L304 HydrophobicContact CD2-CG 4.02Å; Y47-L304 HydrophobicContact CE2-CD2 4.01Å; Y47-L304 HydrophobicContact CE2-CG 4.48Å; I300-L304 HydrophobicContact CG2-CD1 4.01Å; I300-L304 HydrophobicContact CG2-CG 4.38Å; I300-L304 VanDerWaalsContact O-CG 3.29Å; I300-L304 WeakPolarHBondContact O-CG 3.36Å; I300-L304 PolarHBondContact O-N 3.06Å; L301-L304 PolarHBondContact O-N 2.99Å; F302-L304 PolarHBondContact O-N 3.35Å; L304-I306 VanDerWaalsContact C-N 3.33Å; L304-I306 PolarHBondContact O-N 2.81Å; L304-V307 PolarHBondContact O-N 3.24Å; L304-V308 WeakPolarHBondContact O-CG2 3.04Å; L304-V308 PolarHBondContact O-N 3.05Å
305L95.7Very high92.4Very high96 Ų9663.2 Ų63.250%0.50333%0.326SS..Hα-helixtrans-59.3-46.1175.5-176.666.1000111L301 F302 S303 V308 I309L301-L305 PolarHBondContact O-N 3.36Å; F302-L305 WeakPolarHBondContact O-CB 3.08Å; F302-L305 PolarHBondContact O-N 3.08Å; S303-L305 VanDerWaalsContact C-N 3.35Å; S303-L305 PolarHBondContact O-N 2.99Å; L305-V308 PolarHBondContact O-N 3.04Å; L305-I309 HydrophobicContact CD1-CD1 3.8Å; L305-I309 HydrophobicContact CD1-CG1 4.27Å; L305-I309 HydrophobicContact CG-CD1 3.79Å; L305-I309 WeakPolarHBondContact O-CB 3.43Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.25Å; L305-I309 PolarHBondContact O-N 2.9Å
306I96Very high93.4Very high54 Ų5460.6 Ų60.628%0.27732%0.316SS..Hα-helixtrans-61-46.1176.2-65.5168.5000110.8F302 S303 L304 V308 S310 V361F302-I306 HydrophobicContact CD1-CD1 3.81Å; F302-I306 HydrophobicContact CE1-CD1 3.38Å; F302-I306 HydrophobicContact CE1-CG1 4.4Å; F302-I306 HydrophobicContact CE2-CD1 4.4Å; F302-I306 HydrophobicContact CG-CD1 4.5Å; F302-I306 HydrophobicContact CZ-CD1 3.72Å; F302-I306 HydrophobicContact CZ-CG1 4.39Å; F302-I306 WeakPolarHBondContact O-CG1 3.43Å; F302-I306 PolarHBondContact O-N 3.34Å; S303-I306 PolarHBondContact O-N 3.44Å; L304-I306 VanDerWaalsContact C-N 3.33Å; L304-I306 PolarHBondContact O-N 2.81Å; I306-V308 PolarHBondContact O-N 3.01Å; I306-S310 WeakPolarHBondContact O-CB 3.26Å; I306-S310 PolarHBondContact O-N 3.08Å; I306-S310 PolarHBondContact O-OG 2.89Å; I306-V361 HydrophobicContact CB-CG2 4.32Å; I306-V361 HydrophobicContact CG2-CG2 3.67Å
307V96.8Very high93.8Very high0 Ų061.6 Ų61.60%032%0.317CS..Hα-helixtrans-57.9-49.9178.4170.30000110.8P43 Y47 S303 L304 T311 I356 T357 V361P43-V307 HydrophobicContact CB-CG1 4.01Å; P43-V307 HydrophobicContact CG-CG1 3.84Å; Y47-V307 HydrophobicContact CE2-CG2 3.89Å; Y47-V307 WeakPolarHBondContact OH-CG2 3.31Å; S303-V307 WeakPolarHBondContact O-CG2 3.49Å; S303-V307 PolarHBondContact O-N 3.02Å; L304-V307 PolarHBondContact O-N 3.24Å; V307-T311 WeakPolarHBondContact O-CB 3.31Å; V307-T311 PolarHBondContact O-N 3.39Å; V307-T311 PolarHBondContact O-OG1 2.94Å; V307-I356 HydrophobicContact CG2-CG2 4.26Å; V307-T357 WeakPolarHBondContact CG1-OG1 3.47Å; V307-V361 HydrophobicContact CG2-CB 4.16Å; V307-V361 HydrophobicContact CG2-CG1 4.37Å; V307-V361 HydrophobicContact CG2-CG2 3.75Å
308V96Very high94Very high44 Ų4457 Ų5727%0.26729%0.294SS..Hα-helixtrans-64.2-49-176.81720000110.7L40 L304 L305 I306 T311 R312L40-V308 HydrophobicContact CD1-CG2 4.04Å; L304-V308 WeakPolarHBondContact O-CG2 3.04Å; L304-V308 PolarHBondContact O-N 3.05Å; L305-V308 PolarHBondContact O-N 3.04Å; I306-V308 PolarHBondContact O-N 3.01Å; V308-T311 PolarHBondContact O-N 3.05Å; V308-R312 HydrophobicContact CG1-CG 4.47Å; V308-R312 WeakPolarHBondContact O-CB 3.45Å; V308-R312 VanDerWaalsContact O-CG 3.26Å; V308-R312 WeakPolarHBondContact O-CG 3.34Å; V308-R312 PolarHBondContact O-N 3.37Å
309I96.3Very high94Very high101 Ų10156.3 Ų56.352%0.51829%0.285SS..Hα-helixtrans-61.3-48.9179.5-67.7172.8000110.4L305 T311 R312 F313L305-I309 HydrophobicContact CD1-CD1 3.8Å; L305-I309 HydrophobicContact CD1-CG1 4.27Å; L305-I309 HydrophobicContact CG-CD1 3.79Å; L305-I309 WeakPolarHBondContact O-CB 3.43Å; L305-I309 VanDerWaalsContact O-CG1 3.29Å; L305-I309 WeakPolarHBondContact O-CG1 3.25Å; L305-I309 PolarHBondContact O-N 2.9Å; I309-T311 VanDerWaalsContact C-N 3.34Å; I309-T311 PolarHBondContact O-N 3.44Å; I309-R312 PolarHBondContact O-N 2.75Å; I309-F313 VanDerWaalsContact O-CB 3.31Å; I309-F313 WeakPolarHBondContact O-CB 3.33Å; I309-F313 PolarHBondContact O-N 3.2Å
310S96.3Very high94.1Very high38 Ų3858.8 Ų58.827%0.26630%0.296SS..Hα-helixtrans-64.6-40.2-178.1-54.10000111.5I306 M314I306-S310 WeakPolarHBondContact O-CB 3.26Å; I306-S310 PolarHBondContact O-N 3.08Å; I306-S310 PolarHBondContact O-OG 2.89Å; S310-M314 WeakPolarHBondContact O-CB 3.04Å; S310-M314 WeakPolarHBondContact O-CG 3.2Å; S310-M314 PolarHBondContact O-N 2.92Å
311T96.5Very high93.9Very high0 Ų062.5 Ų62.50%032%0.316CS..Hα-helixtrans-61.8-50.5176.2-62.20000110.6V307 V308 I309 F313 M314 E315 I352 C353V307-T311 WeakPolarHBondContact O-CB 3.31Å; V307-T311 PolarHBondContact O-N 3.39Å; V307-T311 PolarHBondContact O-OG1 2.94Å; V308-T311 PolarHBondContact O-N 3.05Å; I309-T311 VanDerWaalsContact C-N 3.34Å; I309-T311 PolarHBondContact O-N 3.44Å; T311-F313 VanDerWaalsContact C-N 3.35Å; T311-F313 PolarHBondContact O-N 3.1Å; T311-M314 PolarHBondContact O-N 3.39Å; T311-E315 HydrophobicContact CG2-CG 4.32Å; T311-E315 WeakPolarHBondContact O-CB 3.2Å; T311-E315 VanDerWaalsContact O-CG 3.31Å; T311-E315 WeakPolarHBondContact O-CG 2.99Å; T311-E315 PolarHBondContact O-N 2.87Å; T311-I352 HydrophobicContact CG2-CG2 4.13Å; T311-C353 HydrophobicContact CG2-CB 3.71Å
312R95.1Very high93.5Very high103 Ų10358.4 Ų58.439%0.38929%0.294SS..Hα-helixtrans-63.3-40.8-179.8-68.5-64178.6-154-2.7112.5N35 S39 V308 I309 E315 S316N35-R312 PolarHBondContact ND2-NH1 3.02Å; N35-R312 PolarHBondContact OD1-NH1 3.11Å; N35-R312 PolarHBondContact OD1-NH2 3.14Å; S39-R312 PolarHBondContact OG-NH2 3.16Å; V308-R312 HydrophobicContact CG1-CG 4.47Å; V308-R312 WeakPolarHBondContact O-CB 3.45Å; V308-R312 VanDerWaalsContact O-CG 3.26Å; V308-R312 WeakPolarHBondContact O-CG 3.34Å; V308-R312 PolarHBondContact O-N 3.37Å; I309-R312 PolarHBondContact O-N 2.75Å; R312-E315 IonicContact CZ-OE2 3.8Å; R312-E315 IonicContact NH1-OE2 2.85Å; R312-E315 PolarHBondContact NH1-OE2 2.9Å; R312-S316 WeakPolarHBondContact O-CB 3.38Å; R312-S316 PolarHBondContact O-N 2.03Å
313F96.1Very high92.9Very high121 Ų12155.9 Ų55.953%0.53129%0.29SS..Hα-helixtrans-61-49.7175.6179.3-102.4000111.3I309 T311 S316 M317I309-F313 VanDerWaalsContact O-CB 3.31Å; I309-F313 WeakPolarHBondContact O-CB 3.33Å; I309-F313 PolarHBondContact O-N 3.2Å; T311-F313 VanDerWaalsContact C-N 3.35Å; T311-F313 PolarHBondContact O-N 3.1Å; F313-S316 WeakPolarHBondContact O-CB 3.23Å; F313-S316 PolarHBondContact O-N 3.15Å; F313-M317 HydrophobicContact CD1-CG 4.34Å; F313-M317 HydrophobicContact CE1-CG 3.94Å; F313-M317 HydrophobicContact CE2-CE 4.24Å; F313-M317 HydrophobicContact CE2-CG 4.44Å; F313-M317 HydrophobicContact CE2-SD 4.45Å; F313-M317 HydrophobicContact CZ-CE 4.46Å; F313-M317 HydrophobicContact CZ-CG 3.99Å; F313-M317 HydrophobicContact CZ-SD 4.07Å; F313-M317 WeakPolarHBondContact O-CG 3.26Å; F313-M317 PolarHBondContact O-N 3.4Å
314M95.7Very high92.5Very high88 Ų8860.7 Ų60.743%0.43332%0.315SS..Hα-helixtrans-66.7-39.5-179.8-68.3-64.3-67.200112.5S310 T311 S316 M317 C318 I352 I356S310-M314 WeakPolarHBondContact O-CB 3.04Å; S310-M314 WeakPolarHBondContact O-CG 3.2Å; S310-M314 PolarHBondContact O-N 2.92Å; T311-M314 PolarHBondContact O-N 3.39Å; M314-S316 VanDerWaalsContact C-N 3.3Å; M314-S316 PolarHBondContact O-N 3.08Å; M314-M317 PolarHBondContact O-N 2.87Å; M314-C318 PolarHBondContact O-N 3.39Å; M314-C318 PolarHBondContact O-SG 3.46Å; M314-C318 VanDerWaalsContact O-SG 3.38Å; M314-I352 HydrophobicContact CB-CD1 3.84Å; M314-I352 HydrophobicContact CB-CG1 4.3Å; M314-I352 HydrophobicContact CB-CG2 3.76Å; M314-I352 HydrophobicContact CG-CG2 4.46Å; M314-I356 HydrophobicContact CG-CD1 4.44Å
315E93.6Very high91.7Very high27 Ų2765.6 Ų65.613%0.12634%0.336CS..Hα-helixtrans-58.9-42.8172.7-75.8177.716400111.3T311 R312 C318 N319 Q349 I352T311-E315 HydrophobicContact CG2-CG 4.32Å; T311-E315 WeakPolarHBondContact O-CB 3.2Å; T311-E315 VanDerWaalsContact O-CG 3.31Å; T311-E315 WeakPolarHBondContact O-CG 2.99Å; T311-E315 PolarHBondContact O-N 2.87Å; R312-E315 IonicContact CZ-OE2 3.8Å; R312-E315 IonicContact NH1-OE2 2.85Å; R312-E315 PolarHBondContact NH1-OE2 2.9Å; E315-C318 PolarHBondContact O-N 3.36Å; E315-N319 PolarHBondContact O-N 3.08Å; E315-N319 PolarHBondContact O-ND2 3.45Å; E315-Q349 HydrophobicContact CG-CG 4.37Å; E315-I352 HydrophobicContact CG-CD1 4.14Å
316S93.3Very high90.6Very high52 Ų5262.6 Ų62.636%0.36432%0.322SS..Hα-helixtrans-62.6-43.7175.8-173.70000111.9R312 F313 M314 N319 Q320R312-S316 WeakPolarHBondContact O-CB 3.38Å; R312-S316 PolarHBondContact O-N 2.03Å; F313-S316 WeakPolarHBondContact O-CB 3.23Å; F313-S316 PolarHBondContact O-N 3.15Å; M314-S316 VanDerWaalsContact C-N 3.3Å; M314-S316 PolarHBondContact O-N 3.08Å; S316-N319 PolarHBondContact O-N 2.72Å; S316-Q320 WeakPolarHBondContact O-CG 3.49Å; S316-Q320 PolarHBondContact O-N 2.84Å
317M93.4Very high89.4Confident61 Ų6166.4 Ų66.430%0.334%0.341SS..Hα-helixtrans-61.3-43.8175.7-68-64.397.300111.7F313 M314 N319 Q320 L321F313-M317 HydrophobicContact CD1-CG 4.34Å; F313-M317 HydrophobicContact CE1-CG 3.94Å; F313-M317 HydrophobicContact CE2-CE 4.24Å; F313-M317 HydrophobicContact CE2-CG 4.44Å; F313-M317 HydrophobicContact CE2-SD 4.45Å; F313-M317 HydrophobicContact CZ-CE 4.46Å; F313-M317 HydrophobicContact CZ-CG 3.99Å; F313-M317 HydrophobicContact CZ-SD 4.07Å; F313-M317 WeakPolarHBondContact O-CG 3.26Å; F313-M317 PolarHBondContact O-N 3.4Å; M314-M317 PolarHBondContact O-N 2.87Å; M317-N319 VanDerWaalsContact C-N 3.35Å; M317-N319 PolarHBondContact O-N 2.87Å; M317-Q320 PolarHBondContact O-N 3.38Å; M317-L321 VanDerWaalsContact O-CG 3.32Å; M317-L321 WeakPolarHBondContact O-CG 3.38Å; M317-L321 PolarHBondContact O-N 3.23Å
318C91.9Very high87.8Confident20 Ų2072.7 Ų72.714%0.13538%0.375CS..Hα-helixtrans-58.3-46.3175.1-71.10000111.8M314 E315 Q320 L321 I322 N345 Q349M314-C318 PolarHBondContact O-N 3.39Å; M314-C318 PolarHBondContact O-SG 3.46Å; M314-C318 VanDerWaalsContact O-SG 3.38Å; E315-C318 PolarHBondContact O-N 3.36Å; C318-Q320 PolarHBondContact O-N 2.8Å; C318-L321 PolarHBondContact O-N 3.44Å; C318-I322 WeakPolarHBondContact O-CD1 3.14Å; C318-I322 PolarHBondContact O-N 3.29Å; C318-I322 VanDerWaalsContact O-N 3.13Å; C318-N345 WeakPolarHBondContact CB-OD1 3.46Å; C318-Q349 HydrophobicContact CB-CG 4.31Å
319N89Confident86.1Confident80 Ų8073.3 Ų73.343%0.42838%0.376SS..Hα-helixtrans-62.5-42.4177.9-74.8-34.2000112.6E315 S316 M317 I322 S323 N345 Q349E315-N319 PolarHBondContact O-N 3.08Å; E315-N319 PolarHBondContact O-ND2 3.45Å; S316-N319 PolarHBondContact O-N 2.72Å; M317-N319 VanDerWaalsContact C-N 3.35Å; M317-N319 PolarHBondContact O-N 2.87Å; N319-I322 PolarHBondContact O-N 3.38Å; N319-S323 PolarHBondContact O-N 3.06Å; N319-N345 PolarHBondContact OD1-ND2 3.14Å; N319-Q349 PolarHBondContact ND2-NE2 3.08Å; N319-Q349 PolarHBondContact OD1-NE2 2.9Å
320Q89.1Confident83.7Confident100 Ų10072.3 Ų72.347%0.46738%0.378SS..Hα-helixtrans-63.5-46.1177.3-74.4-180-3.500111.7S316 M317 C318 I322 S323 L324S316-Q320 WeakPolarHBondContact O-CG 3.49Å; S316-Q320 PolarHBondContact O-N 2.84Å; M317-Q320 PolarHBondContact O-N 3.38Å; C318-Q320 PolarHBondContact O-N 2.8Å; Q320-I322 VanDerWaalsContact C-N 3.29Å; Q320-I322 PolarHBondContact O-N 3.45Å; Q320-S323 PolarHBondContact O-N 3.47Å; Q320-S323 PolarHBondContact O-OG 3.16Å; Q320-L324 WeakPolarHBondContact O-CG 3.17Å; Q320-L324 PolarHBondContact O-N 2.79Å
321L87.4Confident81.6Confident97 Ų9777.2 Ų77.251%0.50840%0.402SS..Hα-helixtrans-56.7-44.2177.7-73.8171.1000111.7M317 C318 L324 F325M317-L321 VanDerWaalsContact O-CG 3.32Å; M317-L321 WeakPolarHBondContact O-CG 3.38Å; M317-L321 PolarHBondContact O-N 3.23Å; C318-L321 PolarHBondContact O-N 3.44Å; L321-L324 WeakPolarHBondContact O-CB 3.42Å; L321-L324 PolarHBondContact O-N 3.29Å; L321-F325 WeakPolarHBondContact O-CD2 3.39Å; L321-F325 PolarHBondContact O-N 3.01Å
322I84Confident79.2Confident14 Ų1486.8 Ų86.87%0.07244%0.443CS..Hα-helixtrans-68.8-39.1179-77.5149.8000112.4C318 N319 Q320 L324 F325 T326 L341 N345C318-I322 WeakPolarHBondContact O-CD1 3.14Å; C318-I322 PolarHBondContact O-N 3.29Å; C318-I322 VanDerWaalsContact O-N 3.13Å; N319-I322 PolarHBondContact O-N 3.38Å; Q320-I322 VanDerWaalsContact C-N 3.29Å; Q320-I322 PolarHBondContact O-N 3.45Å; I322-L324 PolarHBondContact O-N 3.04Å; I322-F325 PolarHBondContact O-N 2.96Å; I322-F325 VanDerWaalsContact O-N 3.14Å; I322-T326 PolarHBondContact O-N 2.95Å; I322-T326 PolarHBondContact O-OG1 3.01Å; I322-L341 HydrophobicContact CG1-CD1 4.21Å; I322-L341 HydrophobicContact CG1-CD2 4.45Å; I322-L341 HydrophobicContact CG1-CG 4.15Å; I322-L341 HydrophobicContact CG2-CD2 4.04Å; I322-L341 HydrophobicContact CG2-CG 4.22Å; I322-N345 HydrophobicContact CD1-CB 3.11Å; I322-N345 WeakPolarHBondContact CD1-OD1 3.46Å; I322-N345 HydrophobicContact CG1-CB 4.45Å
323S81.5Confident76.8Confident59 Ų5985.2 Ų85.241%0.41345%0.445SS..Hα-helixtrans-57.9-38.9174.2720000111.8N319 Q320 I327N319-S323 PolarHBondContact O-N 3.06Å; Q320-S323 PolarHBondContact O-N 3.47Å; Q320-S323 PolarHBondContact O-OG 3.16Å; S323-I327 WeakPolarHBondContact O-CD1 3.36Å; S323-I327 VanDerWaalsContact O-CG1 3.25Å; S323-I327 WeakPolarHBondContact O-CG1 3.45Å; S323-I327 PolarHBondContact O-N 2.94Å; S323-I327 VanDerWaalsContact O-N 3.14Å
324L83.4Confident73.9Confident101 Ų10182 Ų8253%0.52943%0.432SS..Hα-helixtrans-67-42.2175.5-66.3171.1000112.2Q320 L321 I322 N328Q320-L324 WeakPolarHBondContact O-CG 3.17Å; Q320-L324 PolarHBondContact O-N 2.79Å; L321-L324 WeakPolarHBondContact O-CB 3.42Å; L321-L324 PolarHBondContact O-N 3.29Å; I322-L324 PolarHBondContact O-N 3.04Å; L324-N328 PolarHBondContact O-N 3.28Å; L324-N328 PolarHBondContact O-ND2 2.92Å
325F78.4Confident71.4Confident121 Ų12183.8 Ų83.853%0.53145%0.448SS..Hα-helixtrans-66-40176.7-79.7-66.5000112.5L321 I322 N328 I329 L341L321-F325 WeakPolarHBondContact O-CD2 3.39Å; L321-F325 PolarHBondContact O-N 3.01Å; I322-F325 PolarHBondContact O-N 2.96Å; I322-F325 VanDerWaalsContact O-N 3.14Å; F325-N328 PolarHBondContact O-N 3.45Å; F325-I329 WeakPolarHBondContact O-CG1 3.37Å; F325-I329 PolarHBondContact O-N 3.15Å; F325-L341 HydrophobicContact CB-CD2 4.08Å
326T74Confident69.1Low33 Ų3386.2 Ų86.220%0.20247%0.468CS..Hα-helixtrans-66.5-37.1179-56.70000111.9I322 N328 M334 F338I322-T326 PolarHBondContact O-N 2.95Å; I322-T326 PolarHBondContact O-OG1 3.01Å; T326-N328 VanDerWaalsContact C-N 3.31Å; T326-N328 PolarHBondContact O-N 2.98Å; T326-M334 HydrophobicContact CG2-SD 4.33Å; T326-F338 HydrophobicContact CG2-CD2 4.45Å; T326-F338 HydrophobicContact CG2-CE2 4.47Å
327I69.9Low66.7Low134 Ų13488.6 Ų88.669%0.68747%0.473SS*.Hα-helixtrans-64.5-35.8176.2-69.6164.7000111.7S323S323-I327 WeakPolarHBondContact O-CD1 3.36Å; S323-I327 VanDerWaalsContact O-CG1 3.25Å; S323-I327 WeakPolarHBondContact O-CG1 3.45Å; S323-I327 PolarHBondContact O-N 2.94Å; S323-I327 VanDerWaalsContact O-N 3.14Å
328N62.7Low64.8Low132 Ų13289.2 Ų89.271%0.70647%0.474SS*.Hα-helixtrans-81-18.8-175.3-75.6-24.6000114.3L324 F325 T326L324-N328 PolarHBondContact O-N 3.28Å; L324-N328 PolarHBondContact O-ND2 2.92Å; F325-N328 PolarHBondContact O-N 3.45Å; T326-N328 VanDerWaalsContact C-N 3.31Å; T326-N328 PolarHBondContact O-N 2.98Å
329I59.9Low64Low57 Ų5792.8 Ų92.829%0.29249%0.492SS..SBendtrans-85.7116.4179.3-66.1168.4000108.7F325 V333F325-I329 WeakPolarHBondContact O-CG1 3.37Å; F325-I329 PolarHBondContact O-N 3.15Å; I329-V333 HydrophobicContact CG2-CB 4.04Å; I329-V333 HydrophobicContact CG2-CG1 4.35Å
330S47.6Very low63.7Low81 Ų8195.2 Ų95.257%0.56650%0.503SS*.  trans-51.8142.5-18082.70000112.4K332 V333S330-K332 PolarHBondContact O-N 3.21Å; S330-V333 PolarHBondContact O-N 3.37Å; S330-V333 VanDerWaalsContact O-N 3.14Å
331N51.5Low63.6Low141 Ų14192.6 Ų92.675%0.75449%0.491SS*.THydrogen-bonded Turntrans-46.9-23.1-175.4-75.7-21.5000115.8M334N331-M334 HydrophobicContact CB-CE 4.41Å; N331-M334 WeakPolarHBondContact O-CB 3.42Å; N331-M334 WeakPolarHBondContact OD1-CE 3.34Å
332K45.1Very low63.6Low201 Ų20189.9 Ų89.987%0.87448%0.476SS*.THydrogen-bonded Turntrans-81-25.3-175.2-117.3179.6-179.6179.80115.1S330 M334S330-K332 PolarHBondContact O-N 3.21Å; K332-M334 VanDerWaalsContact C-N 3.31Å
333V45.4Very low64Low69 Ų6990.5 Ų90.542%0.41848%0.479SS..SBendtrans-90.3-4.4-179.6-178.80000111.5I329 S330 H337I329-V333 HydrophobicContact CG2-CB 4.04Å; I329-V333 HydrophobicContact CG2-CG1 4.35Å; S330-V333 PolarHBondContact O-N 3.37Å; S330-V333 VanDerWaalsContact O-N 3.14Å; V333-H337 WeakPolarHBondContact CG1-ND1 3.46Å; V333-H337 PolarHBondContact O-ND1 2.77Å
334M35Very low64.5Low53 Ų5393.1 Ų93.126%0.26148%0.483SS..Hα-helixtrans-77.7-28.5-157.7-153.7141.970.600114.7T326 N331 K332 S336 F338T326-M334 HydrophobicContact CG2-SD 4.33Å; N331-M334 HydrophobicContact CB-CE 4.41Å; N331-M334 WeakPolarHBondContact O-CB 3.42Å; N331-M334 WeakPolarHBondContact OD1-CE 3.34Å; K332-M334 VanDerWaalsContact C-N 3.31Å; M334-S336 PolarHBondContact O-N 2.82Å; M334-F338 WeakPolarHBondContact O-CB 3.46Å; M334-F338 PolarHBondContact O-N 3.49Å
335T42.8Very low64.9Low127 Ų12788.6 Ų88.678%0.77946%0.46SS*.Hα-helixtrans-68.7-32.1-171.6510000114.4
336S46.3Very low65.7Low77 Ų7782.9 Ų82.954%0.53844%0.435SS..Hα-helixtrans-92.7-38.8175.570.20000113.1M334 F338 N339M334-S336 PolarHBondContact O-N 2.82Å; S336-F338 VanDerWaalsContact C-N 3.34Å; S336-F338 PolarHBondContact O-N 3.04Å; S336-N339 PolarHBondContact O-N 2.99Å
337H43.6Very low66.8Low102 Ų10283.9 Ų83.947%0.47244%0.437SS..Hα-helixtrans-69.4-30.5-177.3-82.972.3000112.9V333 N339 M340 L341V333-H337 WeakPolarHBondContact CG1-ND1 3.46Å; V333-H337 PolarHBondContact O-ND1 2.77Å; H337-N339 PolarHBondContact O-N 3.49Å; H337-M340 PolarHBondContact O-N 3.17Å; H337-L341 WeakPolarHBondContact O-CB 3.29Å; H337-L341 PolarHBondContact O-N 3.2Å
338F52.5Low68Low74 Ų7480.3 Ų80.333%0.32542%0.419SS..Hα-helixtrans-54.3-44.3177.8-168.1-100.3000110.7L258 T326 M334 S336 H342L258-F338 HydrophobicContact CD1-CE1 4.01Å; L258-F338 HydrophobicContact CD1-CZ 4.15Å; T326-F338 HydrophobicContact CG2-CD2 4.45Å; T326-F338 HydrophobicContact CG2-CE2 4.47Å; M334-F338 WeakPolarHBondContact O-CB 3.46Å; M334-F338 PolarHBondContact O-N 3.49Å; S336-F338 VanDerWaalsContact C-N 3.34Å; S336-F338 PolarHBondContact O-N 3.04Å; F338-H342 AromaticContact CD1-CD2 3.56Å; F338-H342 AromaticContact CD2-CD2 3.68Å; F338-H342 AromaticContact CD2-NE2 3.42Å; F338-H342 WeakPolarHBondContact CD2-NE2 3.47Å; F338-H342 AromaticContact CE1-CD2 3.51Å; F338-H342 AromaticContact CE1-NE2 3.69Å; F338-H342 AromaticContact CE2-CD2 3.64Å; F338-H342 AromaticContact CE2-NE2 3.03Å; F338-H342 WeakPolarHBondContact CE2-NE2 3.25Å; F338-H342 AromaticContact CG-CD2 3.64Å; F338-H342 AromaticContact CG-NE2 3.91Å; F338-H342 AromaticContact CZ-CD2 3.54Å; F338-H342 AromaticContact CZ-NE2 3.17Å; F338-H342 WeakPolarHBondContact CZ-NE2 3.27Å; F338-H342 WeakPolarHBondContact O-CB 3.21Å; F338-H342 PolarHBondContact O-CD2 3.38Å; F338-H342 PolarHBondContact O-N 3.17Å
339N74.1Confident69.6Low95 Ų9575.5 Ų75.551%0.50839%0.392SS..Hα-helixtrans-67-46.4-179.9-71.2-15.1000112.2S336 H337 H342 L343S336-N339 PolarHBondContact O-N 2.99Å; H337-N339 PolarHBondContact O-N 3.49Å; N339-H342 PolarHBondContact O-N 3.43Å; N339-L343 WeakPolarHBondContact O-CB 3.33Å; N339-L343 WeakPolarHBondContact O-CG 3.39Å; N339-L343 PolarHBondContact O-N 2.82Å
340M84Confident71.3Confident132 Ų13273.1 Ų73.165%0.6538%0.381SS*.Hα-helixtrans-68.1-41.8-176.7-70.5-58.4-65.800113.2H337 L343 F344H337-M340 PolarHBondContact O-N 3.17Å; M340-L343 PolarHBondContact O-N 3.47Å; M340-L343 HydrophobicContact SD-CD1 4.29Å; M340-F344 WeakPolarHBondContact O-CB 3.49Å; M340-F344 PolarHBondContact O-N 3.21Å
341L86.6Confident73.7Confident45 Ų4570.2 Ų70.224%0.23636%0.361CS..Hα-helixtrans-65.7-41.9178.8-176.364.3000111.3I322 F325 H337 F344 N345I322-L341 HydrophobicContact CG1-CD1 4.21Å; I322-L341 HydrophobicContact CG1-CD2 4.45Å; I322-L341 HydrophobicContact CG1-CG 4.15Å; I322-L341 HydrophobicContact CG2-CD2 4.04Å; I322-L341 HydrophobicContact CG2-CG 4.22Å; F325-L341 HydrophobicContact CB-CD2 4.08Å; H337-L341 WeakPolarHBondContact O-CB 3.29Å; H337-L341 PolarHBondContact O-N 3.2Å; L341-F344 PolarHBondContact O-N 2.83Å; L341-N345 PolarHBondContact O-N 3.33Å
342H87.4Confident75.9Confident40 Ų4064.3 Ų64.319%0.18533%0.329CS..Hα-helixtrans-68.4-37.8176.5-76.4-54.2000112.6M264 F338 N339 F344 N345 S346M264-H342 HydrophobicContact CE-CB 3.64Å; M264-H342 VanDerWaalsContact CE-O 3.25Å; M264-H342 WeakPolarHBondContact CE-O 2.95Å; M264-H342 HydrophobicContact SD-CB 3.81Å; F338-H342 AromaticContact CD1-CD2 3.56Å; F338-H342 AromaticContact CD2-CD2 3.68Å; F338-H342 AromaticContact CD2-NE2 3.42Å; F338-H342 WeakPolarHBondContact CD2-NE2 3.47Å; F338-H342 AromaticContact CE1-CD2 3.51Å; F338-H342 AromaticContact CE1-NE2 3.69Å; F338-H342 AromaticContact CE2-CD2 3.64Å; F338-H342 AromaticContact CE2-NE2 3.03Å; F338-H342 WeakPolarHBondContact CE2-NE2 3.25Å; F338-H342 AromaticContact CG-CD2 3.64Å; F338-H342 AromaticContact CG-NE2 3.91Å; F338-H342 AromaticContact CZ-CD2 3.54Å; F338-H342 AromaticContact CZ-NE2 3.17Å; F338-H342 WeakPolarHBondContact CZ-NE2 3.27Å; F338-H342 WeakPolarHBondContact O-CB 3.21Å; F338-H342 PolarHBondContact O-CD2 3.38Å; F338-H342 PolarHBondContact O-N 3.17Å; N339-H342 PolarHBondContact O-N 3.43Å; H342-F344 VanDerWaalsContact C-N 3.33Å; H342-N345 VanDerWaalsContact O-CB 3.29Å; H342-N345 WeakPolarHBondContact O-CB 3.34Å; H342-N345 PolarHBondContact O-N 3.31Å; H342-S346 PolarHBondContact O-N 3.11Å; H342-S346 PolarHBondContact O-OG 2.88Å
343L91.6Very high78.4Confident27 Ų2755 Ų5514%0.14129%0.289CS..Hα-helixtrans-60.5-45.7172.4-73.7172.3000110.8M263 M264 S267 N339 M340 N345 S346 F347M263-L343 HydrophobicContact CB-CD2 3.9Å; M263-L343 HydrophobicContact CG-CD1 4.11Å; M263-L343 HydrophobicContact CG-CD2 3.49Å; M263-L343 VanDerWaalsContact CG-CD2 3.49Å; M263-L343 HydrophobicContact CG-CG 4.45Å; M263-L343 WeakPolarHBondContact O-CD2 3.47Å; M264-L343 HydrophobicContact CG-CD2 4.37Å; M264-L343 HydrophobicContact SD-CD2 3.94Å; M264-L343 HydrophobicContact SD-CG 4.34Å; S267-L343 PolarHBondContact OG-O 3.09Å; N339-L343 WeakPolarHBondContact O-CB 3.33Å; N339-L343 WeakPolarHBondContact O-CG 3.39Å; N339-L343 PolarHBondContact O-N 2.82Å; M340-L343 PolarHBondContact O-N 3.47Å; M340-L343 HydrophobicContact SD-CD1 4.29Å; L343-N345 VanDerWaalsContact C-N 3.33Å; L343-N345 PolarHBondContact O-N 3.05Å; L343-S346 PolarHBondContact O-N 3.28Å; L343-F347 PolarHBondContact O-N 3.15Å
344F92.7Very high80.9Confident113 Ų11351.8 Ų51.850%0.49627%0.269SS..Hα-helixtrans-62.7-38.2175.6-174.2-114000112.4M340 L341 H342 S346 F347 L348M340-F344 WeakPolarHBondContact O-CB 3.49Å; M340-F344 PolarHBondContact O-N 3.21Å; L341-F344 PolarHBondContact O-N 2.83Å; H342-F344 VanDerWaalsContact C-N 3.33Å; F344-S346 PolarHBondContact O-N 3.21Å; F344-F347 HydrophobicContact CE2-CD1 4.44Å; F344-F347 WeakPolarHBondContact O-CB 3.31Å; F344-F347 PolarHBondContact O-N 2.85Å; F344-L348 HydrophobicContact CD1-CD1 3.93Å; F344-L348 HydrophobicContact CD1-CG 4.29Å; F344-L348 HydrophobicContact CE1-CD1 3.47Å; F344-L348 VanDerWaalsContact CE1-CD1 3.47Å; F344-L348 HydrophobicContact CE1-CD2 4.34Å; F344-L348 HydrophobicContact CE1-CG 3.93Å; F344-L348 HydrophobicContact CE2-CD2 4.33Å; F344-L348 HydrophobicContact CE2-CG 4.34Å; F344-L348 HydrophobicContact CZ-CD1 3.92Å; F344-L348 HydrophobicContact CZ-CD2 3.92Å; F344-L348 HydrophobicContact CZ-CG 3.95Å; F344-L348 WeakPolarHBondContact O-CG 3.48Å; F344-L348 PolarHBondContact O-N 3.11Å
345N93.1Very high83.9Confident6 Ų651.7 Ų51.73%0.03227%0.268CS..Hα-helixtrans-56.6-49.5171.8-166.326.3000112.4C318 N319 I322 L341 H342 L343 F347 L348 Q349C318-N345 WeakPolarHBondContact CB-OD1 3.46Å; N319-N345 PolarHBondContact OD1-ND2 3.14Å; I322-N345 HydrophobicContact CD1-CB 3.11Å; I322-N345 WeakPolarHBondContact CD1-OD1 3.46Å; I322-N345 HydrophobicContact CG1-CB 4.45Å; L341-N345 PolarHBondContact O-N 3.33Å; H342-N345 VanDerWaalsContact O-CB 3.29Å; H342-N345 WeakPolarHBondContact O-CB 3.34Å; H342-N345 PolarHBondContact O-N 3.31Å; L343-N345 VanDerWaalsContact C-N 3.33Å; L343-N345 PolarHBondContact O-N 3.05Å; N345-F347 PolarHBondContact O-N 3.43Å; N345-L348 PolarHBondContact O-N 3.39Å; N345-L348 VanDerWaalsContact O-N 3.12Å; N345-Q349 PolarHBondContact ND2-NE2 3.34Å; N345-Q349 WeakPolarHBondContact O-CB 3.45Å; N345-Q349 WeakPolarHBondContact O-CG 3.44Å; N345-Q349 PolarHBondContact O-N 2.81Å; N345-Q349 PolarHBondContact OD1-NE2 3.5Å
346S94.1Very high86.5Confident2 Ų246.3 Ų46.31%0.01423%0.234CC..Hα-helixtrans-63.1-37.5-177.2-64.20000111M264 R268 H342 L343 F344 G350M264-S346 WeakPolarHBondContact CE-OG 3.27Å; M264-S346 WeakPolarHBondContact O-CB 3.43Å; M264-S346 PolarHBondContact SD-OG 3.21Å; R268-S346 WeakPolarHBondContact CA-O 3.3Å; H342-S346 PolarHBondContact O-N 3.11Å; H342-S346 PolarHBondContact O-OG 2.88Å; L343-S346 PolarHBondContact O-N 3.28Å; F344-S346 PolarHBondContact O-N 3.21Å; S346-G350 PolarHBondContact O-N 2.9Å
347F96.3Very high89Confident54 Ų5442.6 Ų42.624%0.23721%0.208CC..Hα-helixtrans-60.6-50.7171.5178.1-92.2000111.5S267 A270 G271 T274 L343 F344 N345 Q349 G350 T351S267-F347 WeakPolarHBondContact OG-CB 3.29Å; S267-F347 PolarHBondContact OG-N 3.39Å; A270-F347 HydrophobicContact CB-CD2 4.12Å; A270-F347 HydrophobicContact CB-CE2 4.21Å; G271-F347 VanDerWaalsContact CA-O 3.24Å; G271-F347 WeakPolarHBondContact CA-O 3.45Å; G271-F347 VanDerWaalsContact N-CD2 3.33Å; T274-F347 HydrophobicContact CG2-CZ 3.85Å; T274-F347 WeakPolarHBondContact OG1-CZ 3.25Å; L343-F347 PolarHBondContact O-N 3.15Å; F344-F347 HydrophobicContact CE2-CD1 4.44Å; F344-F347 WeakPolarHBondContact O-CB 3.31Å; F344-F347 PolarHBondContact O-N 2.85Å; N345-F347 PolarHBondContact O-N 3.43Å; F347-Q349 PolarHBondContact O-N 3Å; F347-G350 PolarHBondContact O-N 3Å; F347-T351 PolarHBondContact O-N 2.93Å; F347-T351 VanDerWaalsContact O-N 3.08Å; F347-T351 PolarHBondContact O-OG1 2.93Å
348L96.1Very high91.4Very high59 Ų5937.8 Ų37.831%0.30919%0.186SC..Hα-helixtrans-59.7-47.5178.2-72.2-178.5000111.3F344 N345 G350 T351 I352F344-L348 HydrophobicContact CD1-CD1 3.93Å; F344-L348 HydrophobicContact CD1-CG 4.29Å; F344-L348 HydrophobicContact CE1-CD1 3.47Å; F344-L348 VanDerWaalsContact CE1-CD1 3.47Å; F344-L348 HydrophobicContact CE1-CD2 4.34Å; F344-L348 HydrophobicContact CE1-CG 3.93Å; F344-L348 HydrophobicContact CE2-CD2 4.33Å; F344-L348 HydrophobicContact CE2-CG 4.34Å; F344-L348 HydrophobicContact CZ-CD1 3.92Å; F344-L348 HydrophobicContact CZ-CD2 3.92Å; F344-L348 HydrophobicContact CZ-CG 3.95Å; F344-L348 WeakPolarHBondContact O-CG 3.48Å; F344-L348 PolarHBondContact O-N 3.11Å; N345-L348 PolarHBondContact O-N 3.39Å; N345-L348 VanDerWaalsContact O-N 3.12Å; L348-G350 VanDerWaalsContact C-N 3.34Å; L348-G350 PolarHBondContact O-N 3.05Å; L348-T351 WeakPolarHBondContact O-CA 3.48Å; L348-T351 VanDerWaalsContact O-CB 3.26Å; L348-T351 WeakPolarHBondContact O-CB 3.44Å; L348-T351 PolarHBondContact O-N 3.25Å; L348-I352 WeakPolarHBondContact O-CG1 3.02Å; L348-I352 PolarHBondContact O-N 2.82Å
349Q95.6Very high93.5Very high30 Ų3036.4 Ų36.414%0.1418%0.18CC..Hα-helixtrans-59.1-43.7177.9-72.7-179.4-7.600112.6E315 C318 N319 N345 F347 T351 I352E315-Q349 HydrophobicContact CG-CG 4.37Å; C318-Q349 HydrophobicContact CB-CG 4.31Å; N319-Q349 PolarHBondContact ND2-NE2 3.08Å; N319-Q349 PolarHBondContact OD1-NE2 2.9Å; N345-Q349 PolarHBondContact ND2-NE2 3.34Å; N345-Q349 WeakPolarHBondContact O-CB 3.45Å; N345-Q349 WeakPolarHBondContact O-CG 3.44Å; N345-Q349 PolarHBondContact O-N 2.81Å; N345-Q349 PolarHBondContact OD1-NE2 3.5Å; F347-Q349 PolarHBondContact O-N 3Å; Q349-T351 PolarHBondContact O-N 2.64Å; Q349-I352 PolarHBondContact O-N 3.07Å
350G96.9Very high94.5Very high7 Ų735.8 Ų35.87%0.07218%0.175CC..Hα-helixtrans-60.2-31.2174.100000113.2T272 S346 F347 L348 P354T272-G350 VanDerWaalsContact CA-O 3.25Å; T272-G350 WeakPolarHBondContact CA-O 3.44Å; T272-G350 PolarHBondContact N-O 3.4Å; S346-G350 PolarHBondContact O-N 2.9Å; F347-G350 PolarHBondContact O-N 3Å; L348-G350 VanDerWaalsContact C-N 3.34Å; L348-G350 PolarHBondContact O-N 3.05Å; G350-P354 WeakPolarHBondContact O-CD 3.34Å
351T97.8Very high95Very high21 Ų2129.8 Ų29.813%0.12915%0.146CC..Hα-helixtrans-73.1-32-178.3-55.20000112.7G271 G275 F347 L348 Q349 F355G271-T351 WeakPolarHBondContact CA-OG1 3.36Å; G271-T351 VanDerWaalsContact O-CA 3.29Å; G271-T351 WeakPolarHBondContact O-CA 3.31Å; G271-T351 PolarHBondContact O-OG1 3.41Å; G275-T351 VanDerWaalsContact CA-CG2 3.48Å; G275-T351 WeakPolarHBondContact CA-O 3.43Å; F347-T351 PolarHBondContact O-N 2.93Å; F347-T351 VanDerWaalsContact O-N 3.08Å; F347-T351 PolarHBondContact O-OG1 2.93Å; L348-T351 WeakPolarHBondContact O-CA 3.48Å; L348-T351 VanDerWaalsContact O-CB 3.26Å; L348-T351 WeakPolarHBondContact O-CB 3.44Å; L348-T351 PolarHBondContact O-N 3.25Å; Q349-T351 PolarHBondContact O-N 2.64Å; T351-F355 VanDerWaalsContact O-CB 3.23Å; T351-F355 WeakPolarHBondContact O-CB 3.41Å; T351-F355 PolarHBondContact O-N 3.07Å
352I97.8Very high95.3Very high17 Ų1727.7 Ų27.79%0.08714%0.135CC..Hα-helixtrans-60.2-61.4-168.5-68.9165.6000112.5T311 M314 E315 L348 Q349 F355 I356T311-I352 HydrophobicContact CG2-CG2 4.13Å; M314-I352 HydrophobicContact CB-CD1 3.84Å; M314-I352 HydrophobicContact CB-CG1 4.3Å; M314-I352 HydrophobicContact CB-CG2 3.76Å; M314-I352 HydrophobicContact CG-CG2 4.46Å; E315-I352 HydrophobicContact CG-CD1 4.14Å; L348-I352 WeakPolarHBondContact O-CG1 3.02Å; L348-I352 PolarHBondContact O-N 2.82Å; Q349-I352 PolarHBondContact O-N 3.07Å; I352-F355 PolarHBondContact O-N 3.39Å; I352-I356 HydrophobicContact CG2-CD1 3.53Å; I352-I356 HydrophobicContact CG2-CG1 4.38Å; I352-I356 WeakPolarHBondContact O-CG1 3.36Å; I352-I356 PolarHBondContact O-N 3.08Å
353C98Very high95.5Very high5 Ų527.8 Ų27.83%0.03414%0.139CC..Hα-helixtrans-62-48.4-171.8-179.70000112.9Y38 T311 F355 I356 T357Y38-C353 PolarHBondContact O-SG 3Å; T311-C353 HydrophobicContact CG2-CB 3.71Å; C353-F355 VanDerWaalsContact C-N 3.29Å; C353-F355 PolarHBondContact O-N 3.27Å; C353-I356 PolarHBondContact O-N 3.12Å; C353-T357 VanDerWaalsContact O-CB 3.25Å; C353-T357 WeakPolarHBondContact O-CB 3.46Å; C353-T357 PolarHBondContact O-N 3.01Å; C353-T357 PolarHBondContact O-OG1 3.37Å
354P97.8Very high95.4Very high1 Ų128.4 Ų28.41%0.00615%0.151CC..Hα-helixtrans-58.4-41.7177.2-25.436.9000112.9F42 I57 T272 L276 G350 V358F42-P354 HydrophobicContact CE1-CB 4.4Å; I57-P354 HydrophobicContact CD1-CB 4.26Å; I57-P354 HydrophobicContact CD1-CG 3.75Å; T272-P354 HydrophobicContact CG2-CG 3.84Å; L276-P354 HydrophobicContact CB-CB 3.96Å; L276-P354 HydrophobicContact CD1-CB 4.47Å; G350-P354 WeakPolarHBondContact O-CD 3.34Å; P354-V358 WeakPolarHBondContact O-CB 3.27Å; P354-V358 WeakPolarHBondContact O-CG2 3.42Å; P354-V358 PolarHBondContact O-N 2.98Å; P354-V358 VanDerWaalsContact O-N 3.07Å
355F97.8Very high95.2Very high52 Ų5224.3 Ų24.323%0.22813%0.134CC..Hα-helixtrans-66.1-46179.1-173.2-107.2000112.2L278 L282 T351 I352 C353 F359 I360L278-F355 HydrophobicContact CB-CD2 3.79Å; L278-F355 HydrophobicContact CB-CE2 3.84Å; L282-F355 HydrophobicContact CD1-CE2 3.68Å; L282-F355 HydrophobicContact CD1-CZ 3.81Å; T351-F355 VanDerWaalsContact O-CB 3.23Å; T351-F355 WeakPolarHBondContact O-CB 3.41Å; T351-F355 PolarHBondContact O-N 3.07Å; I352-F355 PolarHBondContact O-N 3.39Å; C353-F355 VanDerWaalsContact C-N 3.29Å; C353-F355 PolarHBondContact O-N 3.27Å; F355-F359 AromaticContact CE1-CD1 3.93Å; F355-F359 HydrophobicContact CE1-CD1 3.93Å; F355-F359 HydrophobicContact CE1-CE1 4.5Å; F355-F359 HydrophobicContact CE2-CB 4.5Å; F355-F359 AromaticContact CE2-CD1 3.9Å; F355-F359 HydrophobicContact CE2-CD1 3.9Å; F355-F359 AromaticContact CZ-CD1 3.46Å; F355-F359 HydrophobicContact CZ-CD1 3.46Å; F355-F359 VanDerWaalsContact CZ-CD1 3.46Å; F355-F359 AromaticContact CZ-CE1 3.97Å; F355-F359 HydrophobicContact CZ-CE1 3.97Å; F355-F359 HydrophobicContact CZ-CG 4.47Å; F355-F359 WeakPolarHBondContact O-CB 3.44Å; F355-F359 PolarHBondContact O-N 3.35Å; F355-I360 HydrophobicContact CD1-CD1 4.46Å; F355-I360 HydrophobicContact CD1-CG1 4.05Å; F355-I360 HydrophobicContact CE1-CD1 3.86Å; F355-I360 HydrophobicContact CE1-CG1 3.96Å; F355-I360 PolarHBondContact O-N 2.84Å
356I97.8Very high94.7Very high13 Ų1326 Ų267%0.06714%0.143CC..Iπ-helixtrans-62.7-45.7178.3-69.8175.5000111V307 M314 I352 C353 I360 V361V307-I356 HydrophobicContact CG2-CG2 4.26Å; M314-I356 HydrophobicContact CG-CD1 4.44Å; I352-I356 HydrophobicContact CG2-CD1 3.53Å; I352-I356 HydrophobicContact CG2-CG1 4.38Å; I352-I356 WeakPolarHBondContact O-CG1 3.36Å; I352-I356 PolarHBondContact O-N 3.08Å; C353-I356 PolarHBondContact O-N 3.12Å; I356-I360 HydrophobicContact CG1-CG1 4.38Å; I356-I360 HydrophobicContact CG2-CB 4.47Å; I356-I360 PolarHBondContact O-N 2.9Å; I356-V361 HydrophobicContact CG2-CG2 3.82Å; I356-V361 PolarHBondContact O-N 3.45Å
357T97.1Very high94.3Very high0 Ų031.2 Ų31.20%017%0.17CC..Iπ-helixtrans-64-44.8-176-60.90000112.2F42 P43 Y46 Y47 V307 C353 P362F42-T357 HydrophobicContact CD1-CG2 4.37Å; F42-T357 HydrophobicContact CE1-CG2 3.58Å; F42-T357 HydrophobicContact CZ-CG2 3.8Å; P43-T357 HydrophobicContact CB-CG2 3.73Å; P43-T357 HydrophobicContact CG-CG2 4.06Å; P43-T357 WeakPolarHBondContact CG-OG1 3.43Å; Y46-T357 HydrophobicContact CD1-CG2 3.74Å; Y46-T357 HydrophobicContact CE1-CG2 4.49Å; Y46-T357 HydrophobicContact CG-CG2 4.16Å; Y47-T357 HydrophobicContact CE1-CG2 4.26Å; Y47-T357 WeakPolarHBondContact CE1-O 3.37Å; Y47-T357 PolarHBondContact OH-O 3.41Å; V307-T357 WeakPolarHBondContact CG1-OG1 3.47Å; C353-T357 VanDerWaalsContact O-CB 3.25Å; C353-T357 WeakPolarHBondContact O-CB 3.46Å; C353-T357 PolarHBondContact O-N 3.01Å; C353-T357 PolarHBondContact O-OG1 3.37Å; T357-P362 WeakPolarHBondContact O-CD 3.39Å; T357-P362 WeakPolarHBondContact O-CG 3.44Å
358V95.7Very high93.7Very high0 Ų034.7 Ų34.70%019%0.185CC..Iπ-helixtrans-84.6-39.4-173.9173.50000112.2F42 Y46 L276 G279 L280 K283 P354 P362F42-V358 HydrophobicContact CZ-CG2 4.03Å; Y46-V358 HydrophobicContact CE1-CB 4.4Å; Y46-V358 HydrophobicContact CE1-CG2 3.98Å; Y46-V358 HydrophobicContact CE2-CG2 4.04Å; L276-V358 HydrophobicContact CD1-CG2 3.74Å; G279-V358 VanDerWaalsContact C-CG1 3.4Å; L280-V358 HydrophobicContact CD2-CG1 3.75Å; L280-V358 HydrophobicContact CG-CG1 3.99Å; K283-V358 WeakPolarHBondContact CD-O 3.34Å; P354-V358 WeakPolarHBondContact O-CB 3.27Å; P354-V358 WeakPolarHBondContact O-CG2 3.42Å; P354-V358 PolarHBondContact O-N 2.98Å; P354-V358 VanDerWaalsContact O-N 3.07Å; V358-P362 WeakPolarHBondContact O-CG 3.37Å
359F95.4Very high92.8Very high46 Ų4637 Ų3720%0.20219%0.191CC..Iπ-helixtrans-108.3-61.2-172.4171.6-120.2000113.3L282 K283 F355 T363L282-F359 HydrophobicContact CB-CD1 4.35Å; L282-F359 HydrophobicContact CB-CD2 3.51Å; L282-F359 HydrophobicContact CB-CE1 4.41Å; L282-F359 HydrophobicContact CB-CE2 3.61Å; L282-F359 HydrophobicContact CB-CG 3.91Å; L282-F359 HydrophobicContact CB-CZ 4.07Å; L282-F359 HydrophobicContact CD1-CD1 3.7Å; L282-F359 HydrophobicContact CD1-CD2 4.35Å; L282-F359 HydrophobicContact CD1-CE1 3.57Å; L282-F359 HydrophobicContact CD1-CE2 4.26Å; L282-F359 HydrophobicContact CD1-CG 4.09Å; L282-F359 HydrophobicContact CD1-CZ 3.87Å; K283-F359 HydrophobicContact CB-CD2 4.02Å; F355-F359 AromaticContact CE1-CD1 3.93Å; F355-F359 HydrophobicContact CE1-CD1 3.93Å; F355-F359 HydrophobicContact CE1-CE1 4.5Å; F355-F359 HydrophobicContact CE2-CB 4.5Å; F355-F359 AromaticContact CE2-CD1 3.9Å; F355-F359 HydrophobicContact CE2-CD1 3.9Å; F355-F359 AromaticContact CZ-CD1 3.46Å; F355-F359 HydrophobicContact CZ-CD1 3.46Å; F355-F359 VanDerWaalsContact CZ-CD1 3.46Å; F355-F359 AromaticContact CZ-CE1 3.97Å; F355-F359 HydrophobicContact CZ-CE1 3.97Å; F355-F359 HydrophobicContact CZ-CG 4.47Å; F355-F359 WeakPolarHBondContact O-CB 3.44Å; F355-F359 PolarHBondContact O-N 3.35Å; F359-T363 WeakPolarHBondContact O-CB 3.07Å; F359-T363 PolarHBondContact O-N 2.91Å; F359-T363 PolarHBondContact O-OG1 3.48Å
360I95.6Very high92Very high81 Ų8144.8 Ų44.842%0.41522%0.219SC..Iπ-helixtrans-62.6-57.4-167.1-59.6-66.7000111.4F355 I356 T363 G364F355-I360 HydrophobicContact CD1-CD1 4.46Å; F355-I360 HydrophobicContact CD1-CG1 4.05Å; F355-I360 HydrophobicContact CE1-CD1 3.86Å; F355-I360 HydrophobicContact CE1-CG1 3.96Å; F355-I360 PolarHBondContact O-N 2.84Å; I356-I360 HydrophobicContact CG1-CG1 4.38Å; I356-I360 HydrophobicContact CG2-CB 4.47Å; I356-I360 PolarHBondContact O-N 2.9Å; I360-T363 PolarHBondContact O-N 3.22Å; I360-G364 PolarHBondContact O-N 3.44Å
361V95.1Very high91.2Very high7 Ų752.1 Ų52.14%0.04225%0.249CC..Hα-helixtrans-65.6-49.2-175.2168.90000111.5Y47 I306 V307 I356 T363 G364 M365Y47-V361 WeakPolarHBondContact OH-CB 2.85Å; Y47-V361 VanDerWaalsContact OH-CG1 3.28Å; Y47-V361 WeakPolarHBondContact OH-CG1 3.49Å; I306-V361 HydrophobicContact CB-CG2 4.32Å; I306-V361 HydrophobicContact CG2-CG2 3.67Å; V307-V361 HydrophobicContact CG2-CB 4.16Å; V307-V361 HydrophobicContact CG2-CG1 4.37Å; V307-V361 HydrophobicContact CG2-CG2 3.75Å; I356-V361 HydrophobicContact CG2-CG2 3.82Å; I356-V361 PolarHBondContact O-N 3.45Å; V361-T363 PolarHBondContact O-N 3.43Å; V361-G364 PolarHBondContact O-N 3.46Å; V361-M365 HydrophobicContact CG1-CG 4.06Å; V361-M365 WeakPolarHBondContact O-CB 3.4Å; V361-M365 VanDerWaalsContact O-CG 3.29Å; V361-M365 WeakPolarHBondContact O-CG 3.37Å; V361-M365 PolarHBondContact O-N 3.2Å
362P92.4Very high90.2Very high0 Ų058.1 Ų58.10%027%0.27CS..Hα-helixtrans-59.2-33.1176.1-32.241.9000114.4Y47 K283 V291 T357 V358 N366Y47-P362 HydrophobicContact CE1-CG 3.98Å; K283-P362 HydrophobicContact CD-CB 3.62Å; K283-P362 PolarHBondContact NZ-O 3.03Å; V291-P362 HydrophobicContact CG1-CB 3.43Å; V291-P362 VanDerWaalsContact CG1-CB 3.43Å; V291-P362 HydrophobicContact CG1-CG 3.31Å; T357-P362 WeakPolarHBondContact O-CD 3.39Å; T357-P362 WeakPolarHBondContact O-CG 3.44Å; V358-P362 WeakPolarHBondContact O-CG 3.37Å; P362-N366 WeakPolarHBondContact O-CB 3.48Å; P362-N366 PolarHBondContact O-N 3.24Å; P362-N366 VanDerWaalsContact O-N 3.11Å; P362-N366 PolarHBondContact O-ND2 3.31Å; P362-N366 PolarHBondContact O-OD1 2.9Å
363T91.6Very high88.8Confident43 Ų4364.4 Ų64.426%0.26430%0.304SS..Hα-helixtrans-71.8-45.9177.1-58.40000110.8F359 I360 V361 M365 N366 L367F359-T363 WeakPolarHBondContact O-CB 3.07Å; F359-T363 PolarHBondContact O-N 2.91Å; F359-T363 PolarHBondContact O-OG1 3.48Å; I360-T363 PolarHBondContact O-N 3.22Å; V361-T363 PolarHBondContact O-N 3.43Å; T363-M365 PolarHBondContact O-N 3.29Å; T363-N366 PolarHBondContact O-N 3.09Å; T363-L367 HydrophobicContact CG2-CD1 4.29Å; T363-L367 VanDerWaalsContact O-CG 3.32Å; T363-L367 WeakPolarHBondContact O-CG 3.33Å; T363-L367 PolarHBondContact O-N 3.32Å
364G90Very high88.3Confident39 Ų3967.4 Ų67.440%0.40232%0.317SS..Hα-helixtrans-58.8-46.2174.100000112.8I360 V361 L367 F368I360-G364 PolarHBondContact O-N 3.44Å; V361-G364 PolarHBondContact O-N 3.46Å; G364-L367 PolarHBondContact O-N 3.17Å; G364-F368 PolarHBondContact O-N 3.14Å
365M87.3Confident87.8Confident28 Ų2870.8 Ų70.814%0.13833%0.334CS..Hα-helixtrans-65.5-40.5-180-67.8-58.5-7500112.5L292 I299 F302 V361 T363 F368 Y369L292-M365 HydrophobicContact CD2-CB 4.2Å; L292-M365 HydrophobicContact CD2-CG 4.16Å; I299-M365 HydrophobicContact CG2-CE 3.75Å; F302-M365 HydrophobicContact CD1-CE 4Å; F302-M365 HydrophobicContact CD1-SD 4.22Å; F302-M365 HydrophobicContact CE1-CE 4.45Å; F302-M365 HydrophobicContact CE1-SD 4.23Å; V361-M365 HydrophobicContact CG1-CG 4.06Å; V361-M365 WeakPolarHBondContact O-CB 3.4Å; V361-M365 VanDerWaalsContact O-CG 3.29Å; V361-M365 WeakPolarHBondContact O-CG 3.37Å; V361-M365 PolarHBondContact O-N 3.2Å; T363-M365 PolarHBondContact O-N 3.29Å; M365-F368 PolarHBondContact O-N 3.46Å; M365-Y369 WeakPolarHBondContact O-CB 3.35Å; M365-Y369 PolarHBondContact O-N 3.19Å
366N83.8Confident87.3Confident40 Ų4071.9 Ų71.921%0.21434%0.34CS..Hα-helixtrans-68.7-35.2177.5-71-5.7000112.4K283 V291 P362 T363 R370K283-N366 PolarHBondContact NZ-ND2 3.33Å; V291-N366 PolarHBondContact O-OD1 2.89Å; P362-N366 WeakPolarHBondContact O-CB 3.48Å; P362-N366 PolarHBondContact O-N 3.24Å; P362-N366 VanDerWaalsContact O-N 3.11Å; P362-N366 PolarHBondContact O-ND2 3.31Å; P362-N366 PolarHBondContact O-OD1 2.9Å; T363-N366 PolarHBondContact O-N 3.09Å; N366-R370 WeakPolarHBondContact O-CB 3.47Å; N366-R370 WeakPolarHBondContact O-CG 3.46Å; N366-R370 PolarHBondContact O-N 3.38Å
367L85.4Confident86.7Confident113 Ų11375.4 Ų75.459%0.59236%0.356SS*.Hα-helixtrans-66.1-41.1173.8-72.4172.4000111.4T363 G364 K371T363-L367 HydrophobicContact CG2-CD1 4.29Å; T363-L367 VanDerWaalsContact O-CG 3.32Å; T363-L367 WeakPolarHBondContact O-CG 3.33Å; T363-L367 PolarHBondContact O-N 3.32Å; G364-L367 PolarHBondContact O-N 3.17Å; L367-K371 WeakPolarHBondContact O-CB 3.37Å; L367-K371 PolarHBondContact O-N 2.83Å
368F82.4Confident86Confident126 Ų12680.1 Ų80.155%0.55338%0.378SS*.Hα-helixtrans-62.4-49.5174-171.5-88.2000110.9G364 M365 R370 K371 Y372G364-F368 PolarHBondContact O-N 3.14Å; M365-F368 PolarHBondContact O-N 3.46Å; F368-R370 PolarHBondContact O-N 2.94Å; F368-K371 PolarHBondContact O-N 3.47Å; F368-K371 VanDerWaalsContact O-N 3.09Å; F368-Y372 AromaticContact CD1-CD2 3.89Å; F368-Y372 HydrophobicContact CD1-CD2 3.89Å; F368-Y372 HydrophobicContact CD1-CE2 4.35Å; F368-Y372 AromaticContact CD2-CD2 3.91Å; F368-Y372 HydrophobicContact CD2-CD2 3.91Å; F368-Y372 AromaticContact CD2-CE2 3.54Å; F368-Y372 HydrophobicContact CD2-CE2 3.54Å; F368-Y372 AromaticContact CE1-CD2 3.69Å; F368-Y372 HydrophobicContact CE1-CD2 3.69Å; F368-Y372 HydrophobicContact CE1-CE2 4.1Å; F368-Y372 AromaticContact CE2-CD2 3.73Å; F368-Y372 HydrophobicContact CE2-CD2 3.73Å; F368-Y372 AromaticContact CE2-CE2 3.24Å; F368-Y372 HydrophobicContact CE2-CE2 3.24Å; F368-Y372 AromaticContact CG-CD2 3.99Å; F368-Y372 HydrophobicContact CG-CD2 3.99Å; F368-Y372 HydrophobicContact CG-CE2 4.1Å; F368-Y372 AromaticContact CZ-CD2 3.6Å; F368-Y372 HydrophobicContact CZ-CD2 3.6Å; F368-Y372 AromaticContact CZ-CE2 3.54Å; F368-Y372 HydrophobicContact CZ-CE2 3.54Å; F368-Y372 HydrophobicContact CZ-CG 4.5Å; F368-Y372 VanDerWaalsContact O-CD2 3.28Å; F368-Y372 WeakPolarHBondContact O-CD2 3.38Å; F368-Y372 PolarHBondContact O-N 3.42Å
369Y77.4Confident85.4Confident107 Ų10785.4 Ų85.442%0.4240%0.403SS..Hα-helixtrans-58.8-43.2-179.2-171.4-87.9000112.9M365 K371 N373M365-Y369 WeakPolarHBondContact O-CB 3.35Å; M365-Y369 PolarHBondContact O-N 3.19Å; Y369-K371 VanDerWaalsContact C-N 3.27Å; Y369-K371 PolarHBondContact O-N 3.06Å; Y369-N373 VanDerWaalsContact CD2-ND2 3.34Å; Y369-N373 WeakPolarHBondContact CD2-ND2 3.26Å; Y369-N373 HydrophobicContact CE1-CB 4.3Å; Y369-N373 WeakPolarHBondContact CE2-ND2 3.1Å; Y369-N373 VanDerWaalsContact CZ-ND2 3.28Å; Y369-N373 PolarHBondContact O-N 3.21Å; Y369-N373 VanDerWaalsContact O-N 3.12Å; Y369-N373 PolarHBondContact O-ND2 2.81Å
370R78.6Confident84.6Confident195 Ų19588.2 Ų88.274%0.73642%0.417SS*.Hα-helixtrans-69.9-18.1177.6-74.2179.1178.9-176.2-0.9114.6N366 F368N366-R370 WeakPolarHBondContact O-CB 3.47Å; N366-R370 WeakPolarHBondContact O-CG 3.46Å; N366-R370 PolarHBondContact O-N 3.38Å; F368-R370 PolarHBondContact O-N 2.94Å
371K81Confident83.8Confident160 Ų16088.8 Ų88.870%0.69642%0.418SS*.Hα-helixtrans-87.7-29.4-179.2-175.1175.3178.4-178.50111.9L367 F368 Y369L367-K371 WeakPolarHBondContact O-CB 3.37Å; L367-K371 PolarHBondContact O-N 2.83Å; F368-K371 PolarHBondContact O-N 3.47Å; F368-K371 VanDerWaalsContact O-N 3.09Å; Y369-K371 VanDerWaalsContact C-N 3.27Å; Y369-K371 PolarHBondContact O-N 3.06Å
372Y76.2Confident82.9Confident147 Ų14795.6 Ų95.658%0.57645%0.449SS*.Hα-helixtrans-110.1-4.3-174.4-65.5-74.6000114.2F368F368-Y372 AromaticContact CD1-CD2 3.89Å; F368-Y372 HydrophobicContact CD1-CD2 3.89Å; F368-Y372 HydrophobicContact CD1-CE2 4.35Å; F368-Y372 AromaticContact CD2-CD2 3.91Å; F368-Y372 HydrophobicContact CD2-CD2 3.91Å; F368-Y372 AromaticContact CD2-CE2 3.54Å; F368-Y372 HydrophobicContact CD2-CE2 3.54Å; F368-Y372 AromaticContact CE1-CD2 3.69Å; F368-Y372 HydrophobicContact CE1-CD2 3.69Å; F368-Y372 HydrophobicContact CE1-CE2 4.1Å; F368-Y372 AromaticContact CE2-CD2 3.73Å; F368-Y372 HydrophobicContact CE2-CD2 3.73Å; F368-Y372 AromaticContact CE2-CE2 3.24Å; F368-Y372 HydrophobicContact CE2-CE2 3.24Å; F368-Y372 AromaticContact CG-CD2 3.99Å; F368-Y372 HydrophobicContact CG-CD2 3.99Å; F368-Y372 HydrophobicContact CG-CE2 4.1Å; F368-Y372 AromaticContact CZ-CD2 3.6Å; F368-Y372 HydrophobicContact CZ-CD2 3.6Å; F368-Y372 AromaticContact CZ-CE2 3.54Å; F368-Y372 HydrophobicContact CZ-CE2 3.54Å; F368-Y372 HydrophobicContact CZ-CG 4.5Å; F368-Y372 VanDerWaalsContact O-CD2 3.28Å; F368-Y372 WeakPolarHBondContact O-CD2 3.38Å; F368-Y372 PolarHBondContact O-N 3.42Å
373N68.3Low82Confident149 Ų149104.3 Ų104.380%0.79749%0.49SS*.  trans-1290167.3-56.7-57.2000108.5Y369Y369-N373 VanDerWaalsContact CD2-ND2 3.34Å; Y369-N373 WeakPolarHBondContact CD2-ND2 3.26Å; Y369-N373 HydrophobicContact CE1-CB 4.3Å; Y369-N373 WeakPolarHBondContact CE2-ND2 3.1Å; Y369-N373 VanDerWaalsContact CZ-ND2 3.28Å; Y369-N373 PolarHBondContact O-N 3.21Å; Y369-N373 VanDerWaalsContact O-N 3.12Å; Y369-N373 PolarHBondContact O-ND2 2.81Å

Retrieved 373 of 373 residues in 603 ms (Link to these results)

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