A0A096MV54_PAPAN Loading...

MTSS I-BAR domain containing 1

AlphaFold DB , UniProt , Accession A0A096MV54, Species PAPAN (Papio anubis, Olive baboon), Gene MTSS1, Length 759 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
1M68.9Low87Confident160 Ų16077.9 Ų77.979%0.78844%0.436SS*.  0-74.20-158.6161.3-76.600109.4A3 V4 I5 N174M1-A3 PolarHBondContact O-N 3.11Å; M1-A3 VanDerWaalsContact O-N 3.11Å; M1-V4 WeakPolarHBondContact O-CB 3.39Å; M1-V4 PolarHBondContact O-N 3.23Å; M1-I5 HydrophobicContact CG-CD1 3.96Å; M1-I5 PolarHBondContact O-N 3.26Å; M1-N174 VanDerWaalsContact CG-OD1 3.29Å; M1-N174 WeakPolarHBondContact CG-OD1 3.41Å; M1-N174 PolarHBondContact SD-OD1 3Å
2E76.5Confident87.9Confident73 Ų7374.2 Ų74.234%0.34141%0.414SS..Hα-helixtrans-36.4-55.3179.9-55.7-177.9176.700116V4 I5 E6 V173 Y177E2-V4 PolarHBondContact O-N 3.37Å; E2-I5 PolarHBondContact O-N 3.03Å; E2-I5 VanDerWaalsContact O-N 3.17Å; E2-E6 PolarHBondContact O-N 3.01Å; E2-V173 WeakPolarHBondContact OE1-CG1 3.46Å; E2-Y177 HydrophobicContact CB-CD2 4.06Å; E2-Y177 HydrophobicContact CB-CE2 3.87Å; E2-Y177 HydrophobicContact CG-CD2 3.75Å; E2-Y177 HydrophobicContact CG-CE2 3.71Å
3A82.3Confident88.6Confident80 Ų8069.5 Ų69.566%0.66139%0.392SS*.Hα-helixtrans-66.9-16.3-177.100000115.3M1M1-A3 PolarHBondContact O-N 3.11Å; M1-A3 VanDerWaalsContact O-N 3.11Å
4V87.4Confident89.3Confident84 Ų8467.1 Ų67.151%0.50939%0.391SS..Hα-helixtrans-80.6-49.6171.4-177.80000109M1 E2 E6 K7 E8M1-V4 WeakPolarHBondContact O-CB 3.39Å; M1-V4 PolarHBondContact O-N 3.23Å; E2-V4 PolarHBondContact O-N 3.37Å; V4-E6 VanDerWaalsContact C-N 3.29Å; V4-E6 PolarHBondContact O-N 3.09Å; V4-K7 WeakPolarHBondContact O-CB 3.48Å; V4-K7 PolarHBondContact O-N 3.3Å; V4-E8 WeakPolarHBondContact CG1-OE1 3.35Å; V4-E8 PolarHBondContact O-N 3.26Å
5I86.1Confident89.9Confident8 Ų867.9 Ų67.94%0.04139%0.393CS..Hα-helixtrans-57.7-41.9176.5-57.9166.3000110.6M1 E2 K7 E8 C9 L178 E181M1-I5 HydrophobicContact CG-CD1 3.96Å; M1-I5 PolarHBondContact O-N 3.26Å; E2-I5 PolarHBondContact O-N 3.03Å; E2-I5 VanDerWaalsContact O-N 3.17Å; I5-K7 VanDerWaalsContact C-N 3.31Å; I5-K7 PolarHBondContact O-N 3Å; I5-E8 PolarHBondContact O-N 2.87Å; I5-C9 WeakPolarHBondContact O-CB 3.31Å; I5-C9 PolarHBondContact O-N 3.25Å; I5-C9 PolarHBondContact O-SG 2.87Å; I5-L178 HydrophobicContact CD1-CD2 3.77Å; I5-L178 HydrophobicContact CD1-CG 4.19Å; I5-E181 HydrophobicContact CG2-CB 3.83Å; I5-E181 HydrophobicContact CG2-CG 4.08Å; I5-E181 WeakPolarHBondContact CG2-OE2 3.37Å
6E87.3Confident90.5Very high70 Ų7063.9 Ų63.933%0.32737%0.369SS..Hα-helixtrans-63.2-34176.9179.9160.8-131.900113.2E2 V4 S10 R134E2-E6 PolarHBondContact O-N 3.01Å; V4-E6 VanDerWaalsContact C-N 3.29Å; V4-E6 PolarHBondContact O-N 3.09Å; E6-S10 WeakPolarHBondContact O-CB 3.4Å; E6-S10 PolarHBondContact O-N 2.79Å; E6-S10 VanDerWaalsContact O-N 3.1Å; E6-S10 PolarHBondContact O-OG 3.05Å; E6-R134 IonicContact OE1-CZ 3.17Å; E6-R134 IonicContact OE1-NH1 2.68Å; E6-R134 PolarHBondContact OE1-NH1 2.87Å; E6-R134 IonicContact OE1-NH2 2.74Å; E6-R134 PolarHBondContact OE1-NH2 3.15Å
7K92.1Very high90.9Very high162 Ų16265.1 Ų65.170%0.70437%0.371SS*.Hα-helixtrans-68.6-41.9173.4-173.8-169.7174.2-1660111.1V4 I5 S10 A11V4-K7 WeakPolarHBondContact O-CB 3.48Å; V4-K7 PolarHBondContact O-N 3.3Å; I5-K7 VanDerWaalsContact C-N 3.31Å; I5-K7 PolarHBondContact O-N 3Å; K7-S10 WeakPolarHBondContact O-CB 3.49Å; K7-S10 PolarHBondContact O-N 3.18Å; K7-A11 PolarHBondContact O-N 2.9Å
8E92.6Very high91.4Very high87 Ų8765.6 Ų65.641%0.40738%0.375SS..Hα-helixtrans-67.8-45.5178.9-71172-166.300111.7V4 I5 S10 A11 L12V4-E8 WeakPolarHBondContact CG1-OE1 3.35Å; V4-E8 PolarHBondContact O-N 3.26Å; I5-E8 PolarHBondContact O-N 2.87Å; E8-S10 PolarHBondContact O-N 3.03Å; E8-A11 PolarHBondContact O-N 3.43Å; E8-A11 VanDerWaalsContact O-N 3.09Å; E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 3.25Å
9C93.6Very high91.7Very high1 Ų162.5 Ų62.51%0.00736%0.358CS..Hα-helixtrans-54.9-37.6169.6-68.40000112.5I5 G13 L180 E181 E184I5-C9 WeakPolarHBondContact O-CB 3.31Å; I5-C9 PolarHBondContact O-N 3.25Å; I5-C9 PolarHBondContact O-SG 2.87Å; C9-G13 PolarHBondContact O-N 3.39Å; C9-L180 HydrophobicContact CB-CD2 4.34Å; C9-L180 HydrophobicContact CB-CG 4.46Å; C9-E181 WeakPolarHBondContact SG-CA 3.48Å; C9-E184 HydrophobicContact CB-CG 4.37Å
10S93.8Very high92.1Very high66 Ų6659.5 Ų59.546%0.46234%0.34SS..Hα-helixtrans-71.7-34.5178-57.90000112.5E6 K7 E8 G14E6-S10 WeakPolarHBondContact O-CB 3.4Å; E6-S10 PolarHBondContact O-N 2.79Å; E6-S10 VanDerWaalsContact O-N 3.1Å; E6-S10 PolarHBondContact O-OG 3.05Å; K7-S10 WeakPolarHBondContact O-CB 3.49Å; K7-S10 PolarHBondContact O-N 3.18Å; E8-S10 PolarHBondContact O-N 3.03Å; S10-G14 PolarHBondContact O-N 3.39Å; S10-G14 VanDerWaalsContact O-N 3.15Å
11A96.8Very high92.4Very high66 Ų6660.1 Ų60.155%0.54535%0.348SS..Hα-helixtrans-70.3-43.4173.200000112K7 E8 G14 L15K7-A11 PolarHBondContact O-N 2.9Å; E8-A11 PolarHBondContact O-N 3.43Å; E8-A11 VanDerWaalsContact O-N 3.09Å; A11-G14 PolarHBondContact O-N 3.41Å; A11-L15 PolarHBondContact O-N 3.31Å
12L97.8Very high93.8Very high33 Ų3356.8 Ų56.817%0.17333%0.333CS..Hα-helixtrans-64-46.1177.3-69.5163000112E8 G14 L15 F16 E184 K185 V188E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 3.25Å; L12-G14 VanDerWaalsContact C-N 3.3Å; L12-G14 PolarHBondContact O-N 2.89Å; L12-L15 PolarHBondContact O-N 3.05Å; L12-F16 PolarHBondContact O-N 2.8Å; L12-E184 HydrophobicContact CB-CB 3.71Å; L12-E184 HydrophobicContact CD1-CB 4Å; L12-E184 HydrophobicContact CG-CB 4.5Å; L12-K185 HydrophobicContact CD1-CG 3.73Å; L12-K185 HydrophobicContact CD2-CG 4.14Å; L12-V188 HydrophobicContact CB-CG2 4.28Å; L12-V188 HydrophobicContact CD2-CG2 4.2Å; L12-V188 VanDerWaalsContact O-CG2 3.27Å; L12-V188 WeakPolarHBondContact O-CG2 3.5Å
13G97.2Very high94.9Very high13 Ų1353.5 Ų53.513%0.13432%0.318CS..Hα-helixtrans-63.7-34.7175.600000113C9 Q17 E184C9-G13 PolarHBondContact O-N 3.39Å; G13-Q17 WeakPolarHBondContact O-CB 3.36Å; G13-Q17 WeakPolarHBondContact O-CG 3.47Å; G13-Q17 PolarHBondContact O-N 3.05Å; G13-E184 VanDerWaalsContact CA-OE2 3.26Å; G13-E184 WeakPolarHBondContact CA-OE2 3.31Å
14G97.9Very high95.6Very high37 Ų3752.6 Ų52.638%0.38130%0.299SS..Hα-helixtrans-64.9-45171.600000112.9S10 A11 L12 Q17 T18S10-G14 PolarHBondContact O-N 3.39Å; S10-G14 VanDerWaalsContact O-N 3.15Å; A11-G14 PolarHBondContact O-N 3.41Å; L12-G14 VanDerWaalsContact C-N 3.3Å; L12-G14 PolarHBondContact O-N 2.89Å; G14-Q17 PolarHBondContact O-N 2.87Å; G14-T18 PolarHBondContact O-N 3.47Å; G14-T18 PolarHBondContact O-OG1 2.9Å
15L98.5Very high96.1Very high79 Ų7951 Ų5141%0.41430%0.3SS..Hα-helixtrans-62.5-45.1175.2176.258.6000111.7A11 L12 Q17 T18 I19 V188A11-L15 PolarHBondContact O-N 3.31Å; L12-L15 PolarHBondContact O-N 3.05Å; L15-Q17 PolarHBondContact O-N 3.32Å; L15-T18 WeakPolarHBondContact O-CB 3.41Å; L15-T18 PolarHBondContact O-N 3.17Å; L15-T18 VanDerWaalsContact O-N 3.16Å; L15-I19 HydrophobicContact CD1-CD1 3.96Å; L15-I19 HydrophobicContact CD1-CG1 4.18Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 WeakPolarHBondContact O-CD1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.31Å; L15-I19 PolarHBondContact O-N 3.03Å; L15-V188 HydrophobicContact CD2-CG1 3.78Å; L15-V188 HydrophobicContact CD2-CG2 4.5Å; L15-V188 HydrophobicContact CG-CG1 4.18Å; L15-V188 HydrophobicContact CG-CG2 4.47Å
16F98.8Very high96.7Very high3 Ų351.9 Ų51.91%0.01331%0.307CS..Hα-helixtrans-56.6-48.5175.1175.7-95.4000111.8L12 T18 I19 I20 H126 A187 V188 A191L12-F16 PolarHBondContact O-N 2.8Å; F16-T18 VanDerWaalsContact C-N 3.29Å; F16-T18 PolarHBondContact O-N 3.49Å; F16-I19 PolarHBondContact O-N 3.33Å; F16-I20 HydrophobicContact CD1-CG1 4.11Å; F16-I20 HydrophobicContact CD2-CG1 4.38Å; F16-I20 HydrophobicContact CE1-CD1 4.3Å; F16-I20 HydrophobicContact CE1-CG1 3.64Å; F16-I20 HydrophobicContact CE2-CD1 4.15Å; F16-I20 HydrophobicContact CE2-CG1 3.97Å; F16-I20 HydrophobicContact CG-CG1 4.45Å; F16-I20 HydrophobicContact CZ-CD1 3.77Å; F16-I20 HydrophobicContact CZ-CG1 3.57Å; F16-I20 WeakPolarHBondContact O-CB 3.34Å; F16-I20 VanDerWaalsContact O-CG1 3.26Å; F16-I20 WeakPolarHBondContact O-CG1 3.42Å; F16-I20 PolarHBondContact O-N 3.21Å; F16-H126 HydrophobicContact CD1-CB 4.1Å; F16-H126 AromaticContact CD1-CE1 3.71Å; F16-H126 AromaticContact CD1-CG 3.54Å; F16-H126 AromaticContact CD1-ND1 3.37Å; F16-H126 WeakPolarHBondContact CD1-ND1 3.35Å; F16-H126 HydrophobicContact CE1-CB 3.32Å; F16-H126 AromaticContact CE1-CG 3.28Å; F16-H126 AromaticContact CE1-ND1 3.34Å; F16-H126 VanDerWaalsContact CE1-ND1 3.34Å; F16-H126 WeakPolarHBondContact CE1-ND1 3.43Å; F16-H126 HydrophobicContact CE2-CB 4.25Å; F16-H126 HydrophobicContact CZ-CB 3.41Å; F16-H126 VanDerWaalsContact CZ-CB 3.41Å; F16-H126 AromaticContact CZ-CG 3.81Å; F16-A187 HydrophobicContact CD2-CB 3.85Å; F16-A187 WeakPolarHBondContact CD2-O 3.41Å; F16-A187 HydrophobicContact CE2-CB 4.04Å; F16-A187 HydrophobicContact CG-CB 4.39Å; F16-V188 HydrophobicContact CB-CG2 3.96Å; F16-A191 HydrophobicContact CD2-CB 3.77Å; F16-A191 HydrophobicContact CE2-CB 3.87Å
17Q98.4Very high97.2Very high85 Ų8549.7 Ų49.740%0.39730%0.296SS..Hα-helixtrans-67.6-28.1178.7-73.6-69.4-4500112.8G13 G14 L15 S21 D123G13-Q17 WeakPolarHBondContact O-CB 3.36Å; G13-Q17 WeakPolarHBondContact O-CG 3.47Å; G13-Q17 PolarHBondContact O-N 3.05Å; G14-Q17 PolarHBondContact O-N 2.87Å; L15-Q17 PolarHBondContact O-N 3.32Å; Q17-S21 VanDerWaalsContact O-CB 3.24Å; Q17-S21 WeakPolarHBondContact O-CB 3.37Å; Q17-S21 PolarHBondContact O-N 2.96Å; Q17-D123 PolarHBondContact NE2-OD1 3.06Å
18T98.6Very high97.5Very high73 Ų7346 Ų4645%0.44829%0.288SS..Hα-helixtrans-64.7-54.5170.9-550000110.6G14 L15 F16 I20 S21 D22G14-T18 PolarHBondContact O-N 3.47Å; G14-T18 PolarHBondContact O-OG1 2.9Å; L15-T18 WeakPolarHBondContact O-CB 3.41Å; L15-T18 PolarHBondContact O-N 3.17Å; L15-T18 VanDerWaalsContact O-N 3.16Å; F16-T18 VanDerWaalsContact C-N 3.29Å; F16-T18 PolarHBondContact O-N 3.49Å; T18-I20 VanDerWaalsContact C-N 3.31Å; T18-I20 PolarHBondContact O-N 3.16Å; T18-S21 CarbonylContact O-C 3.57Å; T18-S21 WeakPolarHBondContact O-CA 3.29Å; T18-S21 VanDerWaalsContact O-CB 3.31Å; T18-S21 WeakPolarHBondContact O-CB 3.31Å; T18-S21 PolarHBondContact O-N 3.18Å; T18-D22 PolarHBondContact O-N 3.39Å
19I98.7Very high97.8Very high8 Ų847 Ų474%0.04130%0.3CS..Hα-helixtrans-59.9-41179.8-56.7154.1000111.1L15 F16 S21 D22 M23 V188 A191 L192 E195L15-I19 HydrophobicContact CD1-CD1 3.96Å; L15-I19 HydrophobicContact CD1-CG1 4.18Å; L15-I19 HydrophobicContact CG-CD1 3.92Å; L15-I19 WeakPolarHBondContact O-CD1 3.3Å; L15-I19 WeakPolarHBondContact O-CG1 3.31Å; L15-I19 PolarHBondContact O-N 3.03Å; F16-I19 PolarHBondContact O-N 3.33Å; I19-S21 VanDerWaalsContact C-N 3.35Å; I19-S21 PolarHBondContact O-N 2.89Å; I19-D22 PolarHBondContact O-N 3.11Å; I19-M23 HydrophobicContact CG2-CE 4.19Å; I19-M23 HydrophobicContact CG2-CG 4.49Å; I19-M23 VanDerWaalsContact O-CB 3.28Å; I19-M23 WeakPolarHBondContact O-CB 3.4Å; I19-M23 WeakPolarHBondContact O-CG 3.43Å; I19-M23 PolarHBondContact O-N 2.84Å; I19-V188 HydrophobicContact CD1-CG1 4.34Å; I19-A191 HydrophobicContact CB-CB 4.15Å; I19-A191 HydrophobicContact CD1-CB 4.24Å; I19-A191 HydrophobicContact CG2-CB 3.84Å; I19-L192 HydrophobicContact CD1-CD2 3.56Å; I19-L192 HydrophobicContact CD1-CG 3.79Å; I19-L192 HydrophobicContact CG1-CD2 4.13Å; I19-E195 HydrophobicContact CG2-CB 4.14Å
20I98.6Very high98.1Very high2 Ų248 Ų481%0.0130%0.303CS..Hα-helixtrans-64.5-37.8174.9-69.2-73.9000111.9F16 T18 M23 K24 L122 D123F16-I20 HydrophobicContact CD1-CG1 4.11Å; F16-I20 HydrophobicContact CD2-CG1 4.38Å; F16-I20 HydrophobicContact CE1-CD1 4.3Å; F16-I20 HydrophobicContact CE1-CG1 3.64Å; F16-I20 HydrophobicContact CE2-CD1 4.15Å; F16-I20 HydrophobicContact CE2-CG1 3.97Å; F16-I20 HydrophobicContact CG-CG1 4.45Å; F16-I20 HydrophobicContact CZ-CD1 3.77Å; F16-I20 HydrophobicContact CZ-CG1 3.57Å; F16-I20 WeakPolarHBondContact O-CB 3.34Å; F16-I20 VanDerWaalsContact O-CG1 3.26Å; F16-I20 WeakPolarHBondContact O-CG1 3.42Å; F16-I20 PolarHBondContact O-N 3.21Å; T18-I20 VanDerWaalsContact C-N 3.31Å; T18-I20 PolarHBondContact O-N 3.16Å; I20-M23 HydrophobicContact CD1-CE 3.85Å; I20-K24 HydrophobicContact CG2-CD 4.14Å; I20-K24 WeakPolarHBondContact O-CB 3.39Å; I20-K24 VanDerWaalsContact O-CG 3.24Å; I20-K24 WeakPolarHBondContact O-CG 3.44Å; I20-K24 PolarHBondContact O-N 3.03Å; I20-K24 VanDerWaalsContact O-N 3.13Å; I20-L122 HydrophobicContact CD1-CB 4.01Å; I20-D123 HydrophobicContact CD1-CB 4.42Å; I20-D123 HydrophobicContact CG2-CB 4.01Å
21S98.6Very high98.3Very high72 Ų7248 Ų4850%0.50330%0.296SS..Hα-helixtrans-65.3-47.8174.7178.90000111.3Q17 T18 I19 K24 G25Q17-S21 VanDerWaalsContact O-CB 3.24Å; Q17-S21 WeakPolarHBondContact O-CB 3.37Å; Q17-S21 PolarHBondContact O-N 2.96Å; T18-S21 CarbonylContact O-C 3.57Å; T18-S21 WeakPolarHBondContact O-CA 3.29Å; T18-S21 VanDerWaalsContact O-CB 3.31Å; T18-S21 WeakPolarHBondContact O-CB 3.31Å; T18-S21 PolarHBondContact O-N 3.18Å; I19-S21 VanDerWaalsContact C-N 3.35Å; I19-S21 PolarHBondContact O-N 2.89Å; S21-K24 CarbonylContact O-C 3.57Å; S21-K24 PolarHBondContact O-N 3.19Å; S21-K24 VanDerWaalsContact O-N 3.16Å; S21-G25 PolarHBondContact O-N 2.92Å
22D98.6Very high98.4Very high90 Ų9048.8 Ų48.848%0.48129%0.291SS..Hα-helixtrans-68.5-41.5-177.2-64-24.8000111.2T18 I19 K24 G25 S26T18-D22 PolarHBondContact O-N 3.39Å; I19-D22 PolarHBondContact O-N 3.11Å; D22-K24 VanDerWaalsContact C-N 3.29Å; D22-K24 PolarHBondContact O-N 2.86Å; D22-G25 CarbonylContact O-C 3.59Å; D22-G25 PolarHBondContact O-N 3.39Å; D22-G25 VanDerWaalsContact O-N 3.14Å; D22-S26 PolarHBondContact O-N 3.17Å
23M98.5Very high98.4Very high4 Ų450.6 Ų50.62%0.0230%0.298CS..Hα-helixtrans-57.1-39.6169.9-80.1-157.8-69.700113I19 I20 S26 A191 E194 E195 R198I19-M23 HydrophobicContact CG2-CE 4.19Å; I19-M23 HydrophobicContact CG2-CG 4.49Å; I19-M23 VanDerWaalsContact O-CB 3.28Å; I19-M23 WeakPolarHBondContact O-CB 3.4Å; I19-M23 WeakPolarHBondContact O-CG 3.43Å; I19-M23 PolarHBondContact O-N 2.84Å; I20-M23 HydrophobicContact CD1-CE 3.85Å; M23-S26 PolarHBondContact O-OG 2.95Å; M23-A191 HydrophobicContact CE-CB 4.47Å; M23-E194 HydrophobicContact CE-CB 4.43Å; M23-E194 HydrophobicContact CE-CG 4.02Å; M23-E194 HydrophobicContact SD-CB 4.25Å; M23-E194 HydrophobicContact SD-CG 3.6Å; M23-E194 VanDerWaalsContact SD-CG 3.6Å; M23-E195 HydrophobicContact CG-CB 4.05Å; M23-E195 HydrophobicContact CG-CG 4.27Å; M23-E195 HydrophobicContact SD-CB 3.87Å; M23-R198 PolarHBondContact O-NH1 3.46Å
24K98.3Very high98.5Very high62 Ų6250.5 Ų50.527%0.2729%0.294SS..Hα-helixtrans-77.2-28.7176.2-71.7173.1-174.5177.70112.9I20 S21 D22 S26 Y27 A119 N120 D123I20-K24 HydrophobicContact CG2-CD 4.14Å; I20-K24 WeakPolarHBondContact O-CB 3.39Å; I20-K24 VanDerWaalsContact O-CG 3.24Å; I20-K24 WeakPolarHBondContact O-CG 3.44Å; I20-K24 PolarHBondContact O-N 3.03Å; I20-K24 VanDerWaalsContact O-N 3.13Å; S21-K24 CarbonylContact O-C 3.57Å; S21-K24 PolarHBondContact O-N 3.19Å; S21-K24 VanDerWaalsContact O-N 3.16Å; D22-K24 VanDerWaalsContact C-N 3.29Å; D22-K24 PolarHBondContact O-N 2.86Å; K24-S26 VanDerWaalsContact C-N 3.33Å; K24-Y27 HydrophobicContact CB-CE2 4.19Å; K24-Y27 HydrophobicContact CG-CE2 4.33Å; K24-Y27 WeakPolarHBondContact O-CD2 3.47Å; K24-Y27 WeakPolarHBondContact O-CE2 3.38Å; K24-A119 HydrophobicContact CG-CB 4.42Å; K24-N120 VanDerWaalsContact CE-OD1 3.29Å; K24-N120 WeakPolarHBondContact CE-OD1 3.24Å; K24-N120 PolarHBondContact NZ-OD1 3.04Å; K24-D123 IonicContact NZ-OD2 3.66Å; K24-D123 PolarHBondContact NZ-OD2 3.2Å
25G98.3Very high98.5Very high51 Ų5152.7 Ų52.753%0.52630%0.297SS..Hα-helixtrans-75.5-19.5174.500000113.7S21 D22 Y27 P28S21-G25 PolarHBondContact O-N 2.92Å; D22-G25 CarbonylContact O-C 3.59Å; D22-G25 PolarHBondContact O-N 3.39Å; D22-G25 VanDerWaalsContact O-N 3.14Å; G25-Y27 PolarHBondContact O-N 3.22Å; G25-P28 VanDerWaalsContact O-CD 3.3Å; G25-P28 WeakPolarHBondContact O-CD 3.33Å
26S98.3Very high98.5Very high26 Ų2654.1 Ų54.118%0.18230%0.3CS..THydrogen-bonded Turntrans-70-23.8-177.673.80000115.1D22 M23 K24 V29 W30D22-S26 PolarHBondContact O-N 3.17Å; M23-S26 PolarHBondContact O-OG 2.95Å; K24-S26 VanDerWaalsContact C-N 3.33Å; S26-V29 WeakPolarHBondContact O-CB 3.37Å; S26-V29 PolarHBondContact O-N 3Å; S26-W30 PolarHBondContact O-N 2.9Å
27Y98.1Very high98.5Very high24 Ų2454.3 Ų54.39%0.09430%0.302CS..Hα-helixtrans-56.1-42.6-169-55-50000114.8K24 G25 V29 W30 E31 M112 W115 K116K24-Y27 HydrophobicContact CB-CE2 4.19Å; K24-Y27 HydrophobicContact CG-CE2 4.33Å; K24-Y27 WeakPolarHBondContact O-CD2 3.47Å; K24-Y27 WeakPolarHBondContact O-CE2 3.38Å; G25-Y27 PolarHBondContact O-N 3.22Å; Y27-V29 PolarHBondContact O-N 3.07Å; Y27-W30 PolarHBondContact O-N 3.15Å; Y27-E31 WeakPolarHBondContact O-CB 3.44Å; Y27-E31 WeakPolarHBondContact O-CG 3.41Å; Y27-E31 PolarHBondContact O-N 3Å; Y27-M112 HydrophobicContact CD1-CE 3.69Å; Y27-M112 HydrophobicContact CD1-SD 4.34Å; Y27-M112 HydrophobicContact CG-CE 4.07Å; Y27-W115 HydrophobicContact CE1-CB 4.29Å; Y27-W115 PolarHBondContact OH-O 2.97Å; Y27-K116 HydrophobicContact CD1-CG 4.08Å; Y27-K116 HydrophobicContact CD2-CG 4.06Å; Y27-K116 HydrophobicContact CE1-CG 3.73Å; Y27-K116 HydrophobicContact CE2-CG 3.71Å; Y27-K116 HydrophobicContact CG-CG 4.26Å; Y27-K116 WeakPolarHBondContact OH-CA 3.39Å
28P98.5Very high98.6Very high84 Ų8451.7 Ų51.755%0.54530%0.298SS..Hα-helixtrans-63.7-24.7177.9-2335.8000114.1G25 D32G25-P28 VanDerWaalsContact O-CD 3.3Å; G25-P28 WeakPolarHBondContact O-CD 3.33Å; P28-D32 WeakPolarHBondContact O-CB 3.37Å; P28-D32 PolarHBondContact O-N 3.16Å
29V98.7Very high98.6Very high107 Ų10754.4 Ų54.465%0.64830%0.303SS*.Hα-helixtrans-75-43.2176.6-175.70000110.4S26 Y27 F33S26-V29 WeakPolarHBondContact O-CB 3.37Å; S26-V29 PolarHBondContact O-N 3Å; Y27-V29 PolarHBondContact O-N 3.07Å; V29-F33 WeakPolarHBondContact O-CB 3.47Å; V29-F33 PolarHBondContact O-N 3.26Å
30W98.6Very high98.6Very high22 Ų2258.5 Ų58.58%0.08333%0.325CS..Hα-helixtrans-64.7-41.6172.5-65.1114.3000112S26 Y27 F33 I34 L108 M112 W115 F199 F202S26-W30 PolarHBondContact O-N 2.9Å; Y27-W30 PolarHBondContact O-N 3.15Å; W30-F33 WeakPolarHBondContact O-CB 3.48Å; W30-F33 PolarHBondContact O-N 3.25Å; W30-I34 WeakPolarHBondContact O-CD1 3.49Å; W30-I34 VanDerWaalsContact O-CG1 3.25Å; W30-I34 WeakPolarHBondContact O-CG1 3.26Å; W30-I34 PolarHBondContact O-N 2.72Å; W30-L108 HydrophobicContact CE3-CD1 4.35Å; W30-L108 HydrophobicContact CE3-CD2 4.27Å; W30-M112 HydrophobicContact CB-CE 3.99Å; W30-M112 HydrophobicContact CB-SD 3.43Å; W30-M112 WeakPolarHBondContact CB-SD 3.37Å; W30-M112 HydrophobicContact CG-SD 3.94Å; W30-W115 HydrophobicContact CD2-CZ3 4.04Å; W30-W115 AromaticContact CE2-CZ3 3.98Å; W30-W115 HydrophobicContact CG-CZ3 4.3Å; W30-W115 HydrophobicContact CZ2-CZ3 4.39Å; W30-F199 AromaticContact CH2-CD1 3.86Å; W30-F199 HydrophobicContact CH2-CD1 3.86Å; W30-F199 AromaticContact CH2-CE1 3.91Å; W30-F199 HydrophobicContact CH2-CE1 3.91Å; W30-F199 AromaticContact CZ2-CD1 3.89Å; W30-F199 HydrophobicContact CZ2-CD1 3.89Å; W30-F199 AromaticContact CZ2-CE1 3.61Å; W30-F199 HydrophobicContact CZ2-CE1 3.61Å; W30-F199 HydrophobicContact CZ2-CZ 4.23Å; W30-F202 HydrophobicContact CH2-CB 3.88Å; W30-F202 HydrophobicContact CH2-CD1 4.09Å; W30-F202 HydrophobicContact CH2-CD2 4.34Å; W30-F202 AromaticContact CH2-CG 3.83Å; W30-F202 HydrophobicContact CH2-CG 3.83Å; W30-F202 HydrophobicContact CZ3-CB 3.98Å; W30-F202 HydrophobicContact CZ3-CD1 4.09Å; W30-F202 AromaticContact CZ3-CD2 3.65Å; W30-F202 HydrophobicContact CZ3-CD2 3.65Å; W30-F202 HydrophobicContact CZ3-CE2 4.13Å; W30-F202 AromaticContact CZ3-CG 3.62Å; W30-F202 HydrophobicContact CZ3-CG 3.62Å
31E98.5Very high98.6Very high67 Ų6759.2 Ų59.231%0.31333%0.328SS..Hα-helixtrans-66.1-40.3177.9-71.7167.7-175.100111.6Y27 N35 M112 K116Y27-E31 WeakPolarHBondContact O-CB 3.44Å; Y27-E31 WeakPolarHBondContact O-CG 3.41Å; Y27-E31 PolarHBondContact O-N 3Å; E31-N35 WeakPolarHBondContact O-CB 3.47Å; E31-N35 PolarHBondContact O-N 2.69Å; E31-N35 VanDerWaalsContact O-N 3.07Å; E31-N35 PolarHBondContact O-ND2 2.68Å; E31-M112 HydrophobicContact CG-CE 3.67Å; E31-M112 WeakPolarHBondContact OE1-CE 3.47Å; E31-K116 IonicContact OE1-NZ 2.75Å; E31-K116 PolarHBondContact OE1-NZ 3.09Å
32D98.7Very high98.6Very high83 Ų8358.6 Ų58.644%0.44432%0.324SS..Hα-helixtrans-66.3-41.3171.8-169.560.8000111.6P28 N35 K36P28-D32 WeakPolarHBondContact O-CB 3.37Å; P28-D32 PolarHBondContact O-N 3.16Å; D32-N35 CarbonylContact O-C 3.53Å; D32-N35 WeakPolarHBondContact O-CA 3.46Å; D32-N35 WeakPolarHBondContact O-CB 3.41Å; D32-N35 PolarHBondContact O-N 3.09Å; D32-N35 VanDerWaalsContact O-N 3.15Å; D32-K36 WeakPolarHBondContact O-CG 3.39Å; D32-K36 PolarHBondContact O-N 3Å; D32-K36 WeakPolarHBondContact OD1-CE 3.26Å; D32-K36 IonicContact OD1-NZ 3.35Å; D32-K36 PolarHBondContact OD1-NZ 3.43Å; D32-K36 WeakPolarHBondContact OD2-CE 3.47Å; D32-K36 IonicContact OD2-NZ 2.9Å; D32-K36 PolarHBondContact OD2-NZ 3.06Å; D32-K36 VanDerWaalsContact OD2-NZ 3.11Å
33F98.8Very high98.6Very high71 Ų7159.9 Ų59.931%0.31133%0.327SS..Hα-helixtrans-57.3-51.1175.5176.5-89.6000112.1V29 W30 N35 K36 A37 L104 L108 F202V29-F33 WeakPolarHBondContact O-CB 3.47Å; V29-F33 PolarHBondContact O-N 3.26Å; W30-F33 WeakPolarHBondContact O-CB 3.48Å; W30-F33 PolarHBondContact O-N 3.25Å; F33-N35 VanDerWaalsContact C-N 3.25Å; F33-N35 PolarHBondContact O-N 2.74Å; F33-K36 PolarHBondContact O-N 2.77Å; F33-K36 VanDerWaalsContact O-N 3.1Å; F33-A37 HydrophobicContact CE1-CB 4.43Å; F33-A37 WeakPolarHBondContact O-CB 3.41Å; F33-A37 PolarHBondContact O-N 3.34Å; F33-L104 HydrophobicContact CE1-CD2 4.23Å; F33-L104 HydrophobicContact CE1-CG 4.46Å; F33-L104 HydrophobicContact CZ-CD2 4.17Å; F33-L108 HydrophobicContact CD1-CD2 3.79Å; F33-L108 HydrophobicContact CE1-CD2 3.95Å; F33-F202 HydrophobicContact CD1-CE2 4.35Å; F33-F202 AromaticContact CE1-CE2 3.65Å; F33-F202 HydrophobicContact CE1-CE2 3.65Å; F33-F202 HydrophobicContact CE1-CZ 4.34Å; F33-F202 HydrophobicContact CE2-CE2 4.39Å; F33-F202 HydrophobicContact CE2-CZ 4.28Å; F33-F202 AromaticContact CZ-CE2 3.67Å; F33-F202 HydrophobicContact CZ-CE2 3.67Å; F33-F202 AromaticContact CZ-CZ 3.92Å; F33-F202 HydrophobicContact CZ-CZ 3.92Å
34I98.7Very high98.6Very high10 Ų1060.7 Ų60.75%0.05133%0.331CS..Hα-helixtrans-55.9-44175.3-66.5160.5000109.8W30 K36 A37 G38 I105 L108 Q109 M112W30-I34 WeakPolarHBondContact O-CD1 3.49Å; W30-I34 VanDerWaalsContact O-CG1 3.25Å; W30-I34 WeakPolarHBondContact O-CG1 3.26Å; W30-I34 PolarHBondContact O-N 2.72Å; I34-K36 PolarHBondContact O-N 3.18Å; I34-A37 PolarHBondContact O-N 3.31Å; I34-G38 PolarHBondContact O-N 3.1Å; I34-I105 HydrophobicContact CG2-CG2 4.27Å; I34-L108 HydrophobicContact CD1-CD2 4.37Å; I34-L108 HydrophobicContact CD1-CG 4.12Å; I34-L108 HydrophobicContact CG1-CD2 3.84Å; I34-L108 HydrophobicContact CG1-CG 4.09Å; I34-Q109 HydrophobicContact CD1-CB 4.39Å; I34-Q109 HydrophobicContact CG2-CB 4.43Å; I34-M112 HydrophobicContact CD1-CG 4.01Å
35N98.6Very high98.6Very high83 Ų8365.3 Ų65.344%0.44435%0.347SS..Hα-helixtrans-64.8-33.2177.4-88.8-84.3000114.1E31 D32 F33 K39E31-N35 WeakPolarHBondContact O-CB 3.47Å; E31-N35 PolarHBondContact O-N 2.69Å; E31-N35 VanDerWaalsContact O-N 3.07Å; E31-N35 PolarHBondContact O-ND2 2.68Å; D32-N35 CarbonylContact O-C 3.53Å; D32-N35 WeakPolarHBondContact O-CA 3.46Å; D32-N35 WeakPolarHBondContact O-CB 3.41Å; D32-N35 PolarHBondContact O-N 3.09Å; D32-N35 VanDerWaalsContact O-N 3.15Å; F33-N35 VanDerWaalsContact C-N 3.25Å; F33-N35 PolarHBondContact O-N 2.74Å; N35-K39 VanDerWaalsContact O-CD 3.31Å; N35-K39 WeakPolarHBondContact O-CD 3.36Å; N35-K39 VanDerWaalsContact O-CG 3.29Å; N35-K39 WeakPolarHBondContact O-CG 3.43Å; N35-K39 PolarHBondContact O-N 3.4Å
36K98.8Very high98.6Very high110 Ų11067 Ų6748%0.47835%0.347SS..Hα-helixtrans-73.8-43.5171.9-52.5-53.9160.8174.60111.1D32 F33 I34 G38 K39 L40D32-K36 WeakPolarHBondContact O-CG 3.39Å; D32-K36 PolarHBondContact O-N 3Å; D32-K36 WeakPolarHBondContact OD1-CE 3.26Å; D32-K36 IonicContact OD1-NZ 3.35Å; D32-K36 PolarHBondContact OD1-NZ 3.43Å; D32-K36 WeakPolarHBondContact OD2-CE 3.47Å; D32-K36 IonicContact OD2-NZ 2.9Å; D32-K36 PolarHBondContact OD2-NZ 3.06Å; D32-K36 VanDerWaalsContact OD2-NZ 3.11Å; F33-K36 PolarHBondContact O-N 2.77Å; F33-K36 VanDerWaalsContact O-N 3.1Å; I34-K36 PolarHBondContact O-N 3.18Å; K36-G38 PolarHBondContact O-N 3.09Å; K36-K39 PolarHBondContact O-N 3.06Å; K36-K39 VanDerWaalsContact O-N 3.16Å; K36-L40 PolarHBondContact O-N 3.27Å
37A98.7Very high98.6Very high7 Ų769.3 Ų69.36%0.05836%0.36CS..Hα-helixtrans-60-45.3-179.800000111F33 I34 K39 L40 Q41 I105F33-A37 HydrophobicContact CE1-CB 4.43Å; F33-A37 WeakPolarHBondContact O-CB 3.41Å; F33-A37 PolarHBondContact O-N 3.34Å; I34-A37 PolarHBondContact O-N 3.31Å; A37-K39 VanDerWaalsContact C-N 3.34Å; A37-K39 PolarHBondContact O-N 3.46Å; A37-L40 PolarHBondContact O-N 3.36Å; A37-Q41 WeakPolarHBondContact O-CB 3.35Å; A37-Q41 PolarHBondContact O-N 2.85Å; A37-I105 VanDerWaalsContact C-CD1 3.47Å; A37-I105 HydrophobicContact CB-CD1 3.87Å; A37-I105 HydrophobicContact CB-CG1 3.63Å
38G98.7Very high98.6Very high29 Ų2968.4 Ų68.430%0.29936%0.357SS..Hα-helixtrans-60.4-38.6173.700000113.8I34 K36 Q41 S42I34-G38 PolarHBondContact O-N 3.1Å; K36-G38 PolarHBondContact O-N 3.09Å; G38-Q41 PolarHBondContact O-N 2.86Å; G38-S42 WeakPolarHBondContact O-CB 3.43Å; G38-S42 PolarHBondContact O-N 2.65Å
39K98.7Very high98.6Very high130 Ų13069 Ų6957%0.56536%0.359SS*.Hα-helixtrans-67.8-42.5174.9-73.3167.2-173165.90111.9N35 K36 A37 S42 Q43N35-K39 VanDerWaalsContact O-CD 3.31Å; N35-K39 WeakPolarHBondContact O-CD 3.36Å; N35-K39 VanDerWaalsContact O-CG 3.29Å; N35-K39 WeakPolarHBondContact O-CG 3.43Å; N35-K39 PolarHBondContact O-N 3.4Å; K36-K39 PolarHBondContact O-N 3.06Å; K36-K39 VanDerWaalsContact O-N 3.16Å; A37-K39 VanDerWaalsContact C-N 3.34Å; A37-K39 PolarHBondContact O-N 3.46Å; K39-S42 PolarHBondContact O-N 3.18Å; K39-Q43 WeakPolarHBondContact O-CG 3.43Å; K39-Q43 PolarHBondContact O-N 2.83Å; K39-Q43 VanDerWaalsContact O-N 3.09Å
40L98.6Very high98.6Very high95 Ų9566.8 Ų66.850%0.49735%0.352SS..Hα-helixtrans-59.9-47.5173.4175.460.4000111K36 A37 S42 Q43 L44 L100K36-L40 PolarHBondContact O-N 3.27Å; A37-L40 PolarHBondContact O-N 3.36Å; L40-S42 PolarHBondContact O-N 3.2Å; L40-Q43 PolarHBondContact O-N 2.97Å; L40-Q43 VanDerWaalsContact O-N 3.15Å; L40-L44 HydrophobicContact CD1-CD1 4.12Å; L40-L44 HydrophobicContact CD1-CG 4.17Å; L40-L44 HydrophobicContact CG-CD1 3.88Å; L40-L44 HydrophobicContact CG-CG 4.4Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 2.79Å; L40-L100 HydrophobicContact CD2-CD2 4.28Å; L40-L100 HydrophobicContact CG-CD2 4.24Å
41Q98.5Very high98.6Very high17 Ų1767.2 Ų67.28%0.07936%0.36CS..Hα-helixtrans-61.1-42.8179.3-159.1-86.3-300112.2A37 G38 Q43 L44 R45 S97 L100 I101 I105A37-Q41 WeakPolarHBondContact O-CB 3.35Å; A37-Q41 PolarHBondContact O-N 2.85Å; G38-Q41 PolarHBondContact O-N 2.86Å; Q41-Q43 PolarHBondContact O-N 3.07Å; Q41-L44 PolarHBondContact O-N 3.25Å; Q41-R45 WeakPolarHBondContact O-CG 3.32Å; Q41-R45 PolarHBondContact O-N 3.06Å; Q41-R45 VanDerWaalsContact OE1-CD 3.26Å; Q41-S97 WeakPolarHBondContact CG-O 3.48Å; Q41-S97 PolarHBondContact NE2-O 3.48Å; Q41-L100 HydrophobicContact CB-CD2 3.77Å; Q41-L100 HydrophobicContact CB-CG 4.17Å; Q41-L100 HydrophobicContact CG-CB 4.3Å; Q41-L100 HydrophobicContact CG-CD2 4.01Å; Q41-L100 HydrophobicContact CG-CG 4.11Å; Q41-I101 HydrophobicContact CG-CB 4.04Å; Q41-I101 HydrophobicContact CG-CG2 4.47Å; Q41-I105 HydrophobicContact CB-CD1 3.94Å; Q41-I105 HydrophobicContact CG-CD1 4.33Å
42S98.6Very high98.6Very high58 Ų5864.9 Ų64.941%0.40635%0.352SS..Hα-helixtrans-57.1-46.6172.2170.20000112.3G38 K39 L40 R45 T46G38-S42 WeakPolarHBondContact O-CB 3.43Å; G38-S42 PolarHBondContact O-N 2.65Å; K39-S42 PolarHBondContact O-N 3.18Å; L40-S42 PolarHBondContact O-N 3.2Å; S42-R45 PolarHBondContact O-N 2.85Å; S42-T46 PolarHBondContact O-N 3.32Å; S42-T46 PolarHBondContact O-OG1 3.11Å
43Q98.7Very high98.6Very high117 Ų11763.9 Ų63.955%0.54736%0.356SS..Hα-helixtrans-69-34.6178.2-64.3-55.6-7700113K39 L40 Q41 T46 T47K39-Q43 WeakPolarHBondContact O-CG 3.43Å; K39-Q43 PolarHBondContact O-N 2.83Å; K39-Q43 VanDerWaalsContact O-N 3.09Å; L40-Q43 PolarHBondContact O-N 2.97Å; L40-Q43 VanDerWaalsContact O-N 3.15Å; Q41-Q43 PolarHBondContact O-N 3.07Å; Q43-T46 PolarHBondContact O-N 3.09Å; Q43-T47 WeakPolarHBondContact O-CB 3.46Å; Q43-T47 PolarHBondContact O-N 3.11Å; Q43-T47 PolarHBondContact O-OG1 2.95Å
44L98.4Very high98.6Very high22 Ų2266.3 Ų66.312%0.11537%0.367CS..Hα-helixtrans-61.9-44.2174.2-73.4165.2000111.2L40 Q41 T46 T47 V48 L93 F96 L100L40-L44 HydrophobicContact CD1-CD1 4.12Å; L40-L44 HydrophobicContact CD1-CG 4.17Å; L40-L44 HydrophobicContact CG-CD1 3.88Å; L40-L44 HydrophobicContact CG-CG 4.4Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 2.79Å; Q41-L44 PolarHBondContact O-N 3.25Å; L44-T46 VanDerWaalsContact C-N 3.35Å; L44-T46 PolarHBondContact O-N 3.09Å; L44-T47 PolarHBondContact O-N 3.11Å; L44-V48 WeakPolarHBondContact O-CB 3.16Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 2.98Å; L44-L93 HydrophobicContact CD2-CD1 3.97Å; L44-F96 HydrophobicContact CD1-CD1 4.04Å; L44-F96 HydrophobicContact CD1-CE1 3.63Å; L44-F96 HydrophobicContact CD2-CE1 4.32Å; L44-L100 HydrophobicContact CD1-CD2 3.75Å
45R98.3Very high98.6Very high158 Ų15866.1 Ų66.160%0.59637%0.366SS*.Hα-helixtrans-58.9-42.7174.2-69.2177.270.1167.24.4112.4Q41 S42 V49Q41-R45 WeakPolarHBondContact O-CG 3.32Å; Q41-R45 PolarHBondContact O-N 3.06Å; Q41-R45 VanDerWaalsContact OE1-CD 3.26Å; S42-R45 PolarHBondContact O-N 2.85Å; R45-V49 WeakPolarHBondContact O-CG2 3.15Å; R45-V49 PolarHBondContact O-N 3.42Å
46T98.6Very high98.6Very high86 Ų8665.7 Ų65.753%0.52836%0.363SS..Hα-helixtrans-66.7-42.3175.3-570000112S42 Q43 L44 V48 V49 A50S42-T46 PolarHBondContact O-N 3.32Å; S42-T46 PolarHBondContact O-OG1 3.11Å; Q43-T46 PolarHBondContact O-N 3.09Å; L44-T46 VanDerWaalsContact C-N 3.35Å; L44-T46 PolarHBondContact O-N 3.09Å; T46-V48 VanDerWaalsContact C-N 3.34Å; T46-V48 PolarHBondContact O-N 3.4Å; T46-V49 PolarHBondContact O-N 3.17Å; T46-A50 PolarHBondContact O-N 3.19Å
47T98.6Very high98.6Very high75 Ų7563 Ų6346%0.4636%0.361SS..Hα-helixtrans-60.7-43.3177.9-57.30000111.3Q43 L44 V49 A50 A51Q43-T47 WeakPolarHBondContact O-CB 3.46Å; Q43-T47 PolarHBondContact O-N 3.11Å; Q43-T47 PolarHBondContact O-OG1 2.95Å; L44-T47 PolarHBondContact O-N 3.11Å; T47-V49 PolarHBondContact O-N 3.44Å; T47-A50 PolarHBondContact O-N 3.35Å; T47-A51 WeakPolarHBondContact O-CB 3.39Å; T47-A51 PolarHBondContact O-N 3.45Å
48V98.4Very high98.6Very high5 Ų565.1 Ų65.13%0.0337%0.369CS..Hα-helixtrans-57.9-45.1174.6155.40000112.3L44 T46 A51 A52 L93 R94L44-V48 WeakPolarHBondContact O-CB 3.16Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 2.98Å; T46-V48 VanDerWaalsContact C-N 3.34Å; T46-V48 PolarHBondContact O-N 3.4Å; V48-A51 PolarHBondContact O-N 2.98Å; V48-A52 PolarHBondContact O-N 2.99Å; V48-L93 HydrophobicContact CG2-CB 4.12Å; V48-L93 HydrophobicContact CG2-CD2 3.79Å; V48-L93 HydrophobicContact CG2-CG 3.78Å; V48-R94 HydrophobicContact CB-CG 4.42Å; V48-R94 HydrophobicContact CG1-CG 3.41Å; V48-R94 VanDerWaalsContact CG1-CG 3.41Å; V48-R94 HydrophobicContact CG2-CG 4.09Å
49V98.5Very high98.6Very high96 Ų9665 Ų6558%0.58236%0.361SS*.Hα-helixtrans-67.4-40.7178.8172.80000111.2R45 T46 T47 A52 A53R45-V49 WeakPolarHBondContact O-CG2 3.15Å; R45-V49 PolarHBondContact O-N 3.42Å; T46-V49 PolarHBondContact O-N 3.17Å; T47-V49 PolarHBondContact O-N 3.44Å; V49-A52 PolarHBondContact O-N 3.27Å; V49-A53 PolarHBondContact O-N 2.75Å
50A98.7Very high98.6Very high61 Ų6165.6 Ų65.650%0.50436%0.364SS..Hα-helixtrans-65-38174.800000112.5T46 T47 F54T46-A50 PolarHBondContact O-N 3.19Å; T47-A50 PolarHBondContact O-N 3.35Å; A50-F54 WeakPolarHBondContact O-CB 3.42Å; A50-F54 PolarHBondContact O-N 3.39Å
51A98.4Very high98.6Very high31 Ų3164.8 Ų64.826%0.25636%0.362SS..Hα-helixtrans-64.1-45.617600000111.9T47 V48 A53 F54 L55 E90T47-A51 WeakPolarHBondContact O-CB 3.39Å; T47-A51 PolarHBondContact O-N 3.45Å; V48-A51 PolarHBondContact O-N 2.98Å; A51-A53 PolarHBondContact O-N 2.88Å; A51-F54 WeakPolarHBondContact O-CB 3.36Å; A51-F54 PolarHBondContact O-N 3.26Å; A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.36Å; A51-L55 PolarHBondContact O-N 3.04Å; A51-E90 HydrophobicContact CB-CG 4.21Å
52A98.5Very high98.6Very high18 Ų1864 Ų6415%0.14936%0.358CS..Hα-helixtrans-57.1-49.917600000112V48 V49 F54 L55 D56 E90V48-A52 PolarHBondContact O-N 2.99Å; V49-A52 PolarHBondContact O-N 3.27Å; A52-F54 VanDerWaalsContact C-N 3.31Å; A52-F54 PolarHBondContact O-N 3.45Å; A52-L55 PolarHBondContact O-N 2.92Å; A52-L55 VanDerWaalsContact O-N 3.07Å; A52-D56 PolarHBondContact O-N 3.19Å; A52-E90 WeakPolarHBondContact CA-OE2 3.36Å
53A98.6Very high98.6Very high62 Ų6264.3 Ų64.351%0.51236%0.356SS..Hα-helixtrans-62.8-35.9178.400000112.9V49 A51 A57V49-A53 PolarHBondContact O-N 2.75Å; A51-A53 PolarHBondContact O-N 2.88Å; A53-A57 PolarHBondContact O-N 3.39Å
54F98.8Very high98.6Very high123 Ų12364.9 Ų64.954%0.53936%0.36SS..Hα-helixtrans-64.3-41.8171.3167-99000112A50 A51 A52 A57 F58A50-F54 WeakPolarHBondContact O-CB 3.42Å; A50-F54 PolarHBondContact O-N 3.39Å; A51-F54 WeakPolarHBondContact O-CB 3.36Å; A51-F54 PolarHBondContact O-N 3.26Å; A52-F54 VanDerWaalsContact C-N 3.31Å; A52-F54 PolarHBondContact O-N 3.45Å; F54-A57 WeakPolarHBondContact O-CB 3.31Å; F54-A57 PolarHBondContact O-N 3.46Å; F54-F58 HydrophobicContact CE1-CD2 4.21Å; F54-F58 AromaticContact CZ-CD2 3.88Å; F54-F58 HydrophobicContact CZ-CD2 3.88Å; F54-F58 WeakPolarHBondContact O-CB 3.24Å; F54-F58 PolarHBondContact O-N 3.03Å
55L98.6Very high98.6Very high6 Ų664.6 Ų64.63%0.03136%0.361CS..Hα-helixtrans-72.5-28.3180-66.1175.3000113.3A51 A52 A57 Q59 H86 R87 E90A51-L55 VanDerWaalsContact O-CG 3.31Å; A51-L55 WeakPolarHBondContact O-CG 3.36Å; A51-L55 PolarHBondContact O-N 3.04Å; A52-L55 PolarHBondContact O-N 2.92Å; A52-L55 VanDerWaalsContact O-N 3.07Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-Q59 WeakPolarHBondContact O-CB 3.38Å; L55-Q59 PolarHBondContact O-N 3.23Å; L55-H86 HydrophobicContact CD1-CB 3.77Å; L55-H86 HydrophobicContact CD2-CB 3.45Å; L55-H86 VanDerWaalsContact CD2-CB 3.45Å; L55-H86 HydrophobicContact CG-CB 4.26Å; L55-R87 HydrophobicContact CB-CG 4.39Å; L55-R87 HydrophobicContact CD1-CG 3.85Å; L55-R87 PolarHBondContact O-NH2 3.22Å; L55-E90 HydrophobicContact CD1-CB 4.41Å
56D98.7Very high98.5Very high74 Ų7458.8 Ų58.840%0.39634%0.343SS..Hα-helixtrans-69.9-30.3168.6-68.5-25.7000112.5A52 K60 R87A52-D56 PolarHBondContact O-N 3.19Å; D56-K60 WeakPolarHBondContact O-CD 3.42Å; D56-K60 WeakPolarHBondContact O-CE 3.17Å; D56-K60 WeakPolarHBondContact O-CG 3.49Å; D56-R87 IonicContact OD1-CZ 2.95Å; D56-R87 VanDerWaalsContact OD1-CZ 3.27Å; D56-R87 IonicContact OD1-NH1 3.77Å; D56-R87 PolarHBondContact OD1-NH1 2.78Å; D56-R87 IonicContact OD1-NH2 3.23Å; D56-R87 PolarHBondContact OD1-NH2 2.95Å
57A98.8Very high98.5Very high53 Ų5361.2 Ų61.244%0.43835%0.353SS..Hα-helixtrans-75.5-41.4170.900000112A53 F54 L55 Q59 K60 V61A53-A57 PolarHBondContact O-N 3.39Å; F54-A57 WeakPolarHBondContact O-CB 3.31Å; F54-A57 PolarHBondContact O-N 3.46Å; L55-A57 VanDerWaalsContact C-N 3.34Å; A57-Q59 PolarHBondContact O-N 2.7Å; A57-K60 PolarHBondContact O-N 2.88Å; A57-V61 PolarHBondContact O-N 3.2Å
58F98.8Very high98.3Very high52 Ų5260.3 Ų60.323%0.22835%0.347CS..Hα-helixtrans-60.6-44176.4-169.3-74.6000111.4F54 K60 V61 A62 L79 M82 C83F54-F58 HydrophobicContact CE1-CD2 4.21Å; F54-F58 AromaticContact CZ-CD2 3.88Å; F54-F58 HydrophobicContact CZ-CD2 3.88Å; F54-F58 WeakPolarHBondContact O-CB 3.24Å; F54-F58 PolarHBondContact O-N 3.03Å; F58-K60 VanDerWaalsContact C-N 3.31Å; F58-K60 PolarHBondContact O-N 3.28Å; F58-V61 WeakPolarHBondContact O-CB 3.22Å; F58-V61 PolarHBondContact O-N 3.19Å; F58-V61 VanDerWaalsContact O-N 3.1Å; F58-A62 PolarHBondContact O-N 2.96Å; F58-A62 VanDerWaalsContact O-N 3.08Å; F58-L79 HydrophobicContact CE1-CB 4.17Å; F58-L79 HydrophobicContact CE1-CD2 4.19Å; F58-L79 WeakPolarHBondContact CE1-O 3.43Å; F58-L79 HydrophobicContact CZ-CD2 3.86Å; F58-M82 HydrophobicContact CE1-CB 4.48Å; F58-M82 HydrophobicContact CZ-CB 4.44Å; F58-M82 HydrophobicContact CZ-CG 4.27Å; F58-C83 HydrophobicContact CD1-CB 3.77Å; F58-C83 HydrophobicContact CE1-CB 4.09Å
59Q98.7Very high98Very high27 Ų2768 Ų6813%0.12638%0.375CS..Hα-helixtrans-59.9-40.8179-169.854.647.300111.6L55 A57 V61 A62 D63 T80 C83L55-Q59 WeakPolarHBondContact O-CB 3.38Å; L55-Q59 PolarHBondContact O-N 3.23Å; A57-Q59 PolarHBondContact O-N 2.7Å; Q59-V61 PolarHBondContact O-N 2.95Å; Q59-A62 CarbonylContact O-C 3.55Å; Q59-A62 WeakPolarHBondContact O-CA 3.4Å; Q59-A62 WeakPolarHBondContact O-CB 3.32Å; Q59-A62 PolarHBondContact O-N 3.39Å; Q59-D63 PolarHBondContact NE2-OD1 3.26Å; Q59-D63 PolarHBondContact O-N 3.34Å; Q59-T80 PolarHBondContact NE2-OG1 2.93Å; Q59-C83 VanDerWaalsContact OE1-CB 3.22Å; Q59-C83 PolarHBondContact OE1-SG 2.88Å
60K98.8Very high97.7Very high142 Ų14264.1 Ų64.162%0.61736%0.355SS*.Hα-helixtrans-60.4-32.7176.8-66.7163.5-169.7170.90113D56 A57 F58 M64D56-K60 WeakPolarHBondContact O-CD 3.42Å; D56-K60 WeakPolarHBondContact O-CE 3.17Å; D56-K60 WeakPolarHBondContact O-CG 3.49Å; A57-K60 PolarHBondContact O-N 2.88Å; F58-K60 VanDerWaalsContact C-N 3.31Å; F58-K60 PolarHBondContact O-N 3.28Å; K60-M64 VanDerWaalsContact O-CB 3.26Å; K60-M64 WeakPolarHBondContact O-CB 3.37Å; K60-M64 PolarHBondContact O-N 3.24Å
61V98.7Very high97.5Very high77 Ų7761.5 Ų61.547%0.46733%0.334SS..Hα-helixtrans-71.5-41.2173.6-179.80000110.9A57 F58 Q59 M64 A65A57-V61 PolarHBondContact O-N 3.2Å; F58-V61 WeakPolarHBondContact O-CB 3.22Å; F58-V61 PolarHBondContact O-N 3.19Å; F58-V61 VanDerWaalsContact O-N 3.1Å; Q59-V61 PolarHBondContact O-N 2.95Å; V61-M64 PolarHBondContact O-N 3.15Å; V61-A65 PolarHBondContact O-N 3.42Å; V61-A65 VanDerWaalsContact O-N 3.08Å
62A98.5Very high97.4Very high0 Ų063 Ų630%034%0.341CS..Hα-helixtrans-63.3-43.1174.700000112.2F58 Q59 A65 T66 G76 L79 T80F58-A62 PolarHBondContact O-N 2.96Å; F58-A62 VanDerWaalsContact O-N 3.08Å; Q59-A62 CarbonylContact O-C 3.55Å; Q59-A62 WeakPolarHBondContact O-CA 3.4Å; Q59-A62 WeakPolarHBondContact O-CB 3.32Å; Q59-A62 PolarHBondContact O-N 3.39Å; A62-A65 PolarHBondContact O-N 2.94Å; A62-T66 WeakPolarHBondContact O-CB 3.26Å; A62-T66 PolarHBondContact O-N 3.36Å; A62-T66 PolarHBondContact O-OG1 2.82Å; A62-G76 WeakPolarHBondContact O-CA 3.44Å; A62-L79 HydrophobicContact CB-CB 3.52Å; A62-T80 WeakPolarHBondContact CB-OG1 3.4Å
63D98.6Very high97.3Very high66 Ų6669.4 Ų69.435%0.35336%0.361SS..Hα-helixtrans-64.5-44.9176.1-61.9-29.1000111Q59 A65 T66 N67Q59-D63 PolarHBondContact NE2-OD1 3.26Å; Q59-D63 PolarHBondContact O-N 3.34Å; D63-A65 VanDerWaalsContact C-N 3.32Å; D63-A65 PolarHBondContact O-N 3.07Å; D63-T66 PolarHBondContact O-N 2.95Å; D63-T66 VanDerWaalsContact O-N 3.15Å; D63-N67 PolarHBondContact O-N 3.2Å; D63-N67 PolarHBondContact O-ND2 2.98Å
64M98.4Very high97.2Very high129 Ų12970.7 Ų70.764%0.63536%0.356SS*.Hα-helixtrans-56.4-46.3176-179.8177.266.100111.2K60 V61 T68K60-M64 VanDerWaalsContact O-CB 3.26Å; K60-M64 WeakPolarHBondContact O-CB 3.37Å; K60-M64 PolarHBondContact O-N 3.24Å; V61-M64 PolarHBondContact O-N 3.15Å; M64-T68 WeakPolarHBondContact O-CG2 3.23Å
65A98.1Very high97.2Very high15 Ų1566.8 Ų66.812%0.12434%0.34CS..Hα-helixtrans-66.2-41.1174.800000112.4V61 A62 D63 N67 T68 T72V61-A65 PolarHBondContact O-N 3.42Å; V61-A65 VanDerWaalsContact O-N 3.08Å; A62-A65 PolarHBondContact O-N 2.94Å; D63-A65 VanDerWaalsContact C-N 3.32Å; D63-A65 PolarHBondContact O-N 3.07Å; A65-N67 PolarHBondContact O-N 2.89Å; A65-T68 WeakPolarHBondContact O-CB 3.42Å; A65-T68 PolarHBondContact O-N 3.03Å; A65-T68 PolarHBondContact O-OG1 3.26Å; A65-T72 HydrophobicContact CB-CG2 4.42Å
66T97.9Very high97.1Very high36 Ų3666.5 Ų66.522%0.22134%0.339CS..Hα-helixtrans-63-29.9179.5-56.90000112.8A62 D63 T68 R73 G76 S77A62-T66 WeakPolarHBondContact O-CB 3.26Å; A62-T66 PolarHBondContact O-N 3.36Å; A62-T66 PolarHBondContact O-OG1 2.82Å; D63-T66 PolarHBondContact O-N 2.95Å; D63-T66 VanDerWaalsContact O-N 3.15Å; T66-T68 VanDerWaalsContact C-N 3.29Å; T66-T68 PolarHBondContact O-N 3.37Å; T66-R73 WeakPolarHBondContact O-CD 3.36Å; T66-R73 VanDerWaalsContact O-CG 3.32Å; T66-R73 WeakPolarHBondContact O-CG 3.37Å; T66-G76 WeakPolarHBondContact OG1-CA 3.28Å; T66-G76 PolarHBondContact OG1-O 3.47Å; T66-S77 PolarHBondContact OG1-N 3.39Å
67N96.8Very high97.1Very high137 Ų13765 Ų6573%0.73333%0.334SS*.THydrogen-bonded Turntrans-83.83.9176.6-72.1-63.6000114.2D63 A65D63-N67 PolarHBondContact O-N 3.2Å; D63-N67 PolarHBondContact O-ND2 2.98Å; A65-N67 PolarHBondContact O-N 2.89Å
68T95.4Very high97.1Very high56 Ų5662.5 Ų62.534%0.34431%0.314SS..SBendtrans-86.1-169.1172.369.80000112.3M64 A65 T66 T72M64-T68 WeakPolarHBondContact O-CG2 3.23Å; A65-T68 WeakPolarHBondContact O-CB 3.42Å; A65-T68 PolarHBondContact O-N 3.03Å; A65-T68 PolarHBondContact O-OG1 3.26Å; T66-T68 VanDerWaalsContact C-N 3.29Å; T66-T68 PolarHBondContact O-N 3.37Å; T68-T72 HydrophobicContact CG2-CG2 4.2Å; T68-T72 WeakPolarHBondContact OG1-CB 3.34Å; T68-T72 VanDerWaalsContact OG1-CG2 3.24Å; T68-T72 WeakPolarHBondContact OG1-CG2 3.5Å
69R92.1Very high97.1Very high166 Ų16661.6 Ų61.663%0.62631%0.311SS*.SBendtrans-118.1155.5-179.5-58.1-176.6-176.8-131.30.3110.7V247R69-V247 HydrophobicContact CB-CG1 4.23Å
70G92.6Very high97Very high15 Ų1562.3 Ų62.316%0.15532%0.317CS..THydrogen-bonded Turntrans66.7-155-179.700000113.2T72 R73 S243 S244G70-T72 PolarHBondContact O-N 2.98Å; G70-R73 WeakPolarHBondContact O-CB 3.4Å; G70-R73 PolarHBondContact O-N 2.94Å; G70-S243 WeakPolarHBondContact CA-O 3.42Å; G70-S244 WeakPolarHBondContact CA-OG 3.45Å
71G93.6Very high97Very high7 Ų760.7 Ų60.77%0.07231%0.307CS..Hα-helixtrans-60.1-21.7-173.100000115.4R73 E74 I75 S243 S244G71-R73 PolarHBondContact O-N 2.87Å; G71-E74 VanDerWaalsContact CA-OE2 3.3Å; G71-E74 WeakPolarHBondContact CA-OE2 3.48Å; G71-E74 WeakPolarHBondContact O-CA 3.45Å; G71-E74 VanDerWaalsContact O-CB 3.29Å; G71-E74 WeakPolarHBondContact O-CB 3.27Å; G71-E74 PolarHBondContact O-N 2.94Å; G71-I75 PolarHBondContact O-N 3.11Å; G71-S243 VanDerWaalsContact CA-OG 3.26Å; G71-S243 WeakPolarHBondContact CA-OG 3.35Å; G71-S243 PolarHBondContact N-OG 3.47Å; G71-S244 PolarHBondContact N-OG 3.1Å
72T96.7Very high96.9Very high63 Ų6358 Ų5839%0.38729%0.29SS..Hα-helixtrans-61.5-27.5174.3-50.10000112.7A65 T68 G70 E74 G76A65-T72 HydrophobicContact CB-CG2 4.42Å; T68-T72 HydrophobicContact CG2-CG2 4.2Å; T68-T72 WeakPolarHBondContact OG1-CB 3.34Å; T68-T72 VanDerWaalsContact OG1-CG2 3.24Å; T68-T72 WeakPolarHBondContact OG1-CG2 3.5Å; G70-T72 PolarHBondContact O-N 2.98Å; T72-E74 VanDerWaalsContact C-N 3.35Å; T72-G76 PolarHBondContact O-N 3.35Å
73R96.6Very high96.9Very high151 Ų15158 Ų5857%0.5729%0.29SS*.Hα-helixtrans-70.3-31171.6176.3167.2-179.1-134.4-0.3112.8T66 G70 G71 S77T66-R73 WeakPolarHBondContact O-CD 3.36Å; T66-R73 VanDerWaalsContact O-CG 3.32Å; T66-R73 WeakPolarHBondContact O-CG 3.37Å; G70-R73 WeakPolarHBondContact O-CB 3.4Å; G70-R73 PolarHBondContact O-N 2.94Å; G71-R73 PolarHBondContact O-N 2.87Å; R73-S77 WeakPolarHBondContact O-CB 3.36Å; R73-S77 PolarHBondContact O-N 2.98Å; R73-S77 PolarHBondContact O-OG 3.32Å
74E96.4Very high96.8Very high90 Ų9060.2 Ų60.242%0.42130%0.3SS..Hα-helixtrans-71.9-42.8176.5-52.4178.3120.300109.5G71 T72 S77 A78 L233 S243G71-E74 VanDerWaalsContact CA-OE2 3.3Å; G71-E74 WeakPolarHBondContact CA-OE2 3.48Å; G71-E74 WeakPolarHBondContact O-CA 3.45Å; G71-E74 VanDerWaalsContact O-CB 3.29Å; G71-E74 WeakPolarHBondContact O-CB 3.27Å; G71-E74 PolarHBondContact O-N 2.94Å; T72-E74 VanDerWaalsContact C-N 3.35Å; E74-S77 WeakPolarHBondContact O-CB 3.24Å; E74-S77 PolarHBondContact O-N 3.04Å; E74-A78 PolarHBondContact O-N 2.62Å; E74-L233 HydrophobicContact CB-CD2 3.95Å; E74-S243 VanDerWaalsContact OE2-CB 3.31Å; E74-S243 WeakPolarHBondContact OE2-CB 3.18Å; E74-S243 PolarHBondContact OE2-OG 3.49Å
75I97.9Very high96.7Very high40 Ų4058.5 Ų58.521%0.20529%0.286CS..Hα-helixtrans-56.5-49.9169.6-60.9170.2000110.9G71 S77 A78 L79 L230 L233 T234G71-I75 PolarHBondContact O-N 3.11Å; I75-S77 VanDerWaalsContact C-N 3.28Å; I75-S77 PolarHBondContact O-N 3.12Å; I75-A78 PolarHBondContact O-N 3.47Å; I75-A78 VanDerWaalsContact O-N 3.12Å; I75-L79 HydrophobicContact CG2-CD1 4.1Å; I75-L79 HydrophobicContact CG2-CG 4.36Å; I75-L79 WeakPolarHBondContact O-CG 3.41Å; I75-L79 PolarHBondContact O-N 2.6Å; I75-L230 HydrophobicContact CG2-CD2 4.44Å; I75-L233 WeakPolarHBondContact CD1-O 3.38Å; I75-L233 HydrophobicContact CG1-CB 3.92Å; I75-T234 HydrophobicContact CD1-CG2 3.99Å; I75-T234 HydrophobicContact CG1-CG2 4.31Å
76G98.1Very high96.6Very high0 Ų060.9 Ų60.90%029%0.294CS..Hα-helixtrans-58.3-38.9176.900000113.4A62 T66 T72 L79 T80A62-G76 WeakPolarHBondContact O-CA 3.44Å; T66-G76 WeakPolarHBondContact OG1-CA 3.28Å; T66-G76 PolarHBondContact OG1-O 3.47Å; T72-G76 PolarHBondContact O-N 3.35Å; G76-L79 PolarHBondContact O-N 3.45Å; G76-T80 PolarHBondContact O-N 2.99Å; G76-T80 PolarHBondContact O-OG1 2.91Å
77S97.9Very high96.5Very high43 Ų4362.7 Ų62.730%0.30130%0.297SS..Hα-helixtrans-65.8-37.7175.9-580000112.3T66 R73 E74 I75 R81T66-S77 PolarHBondContact OG1-N 3.39Å; R73-S77 WeakPolarHBondContact O-CB 3.36Å; R73-S77 PolarHBondContact O-N 2.98Å; R73-S77 PolarHBondContact O-OG 3.32Å; E74-S77 WeakPolarHBondContact O-CB 3.24Å; E74-S77 PolarHBondContact O-N 3.04Å; I75-S77 VanDerWaalsContact C-N 3.28Å; I75-S77 PolarHBondContact O-N 3.12Å; S77-R81 PolarHBondContact O-N 2.94Å; S77-R81 PolarHBondContact O-NH1 2.84Å
78A98Very high96.5Very high0 Ų057.9 Ų57.90%027%0.274CS..Hα-helixtrans-71.8-37.7174.700000112.7E74 I75 T80 R81 M82 I226 L230 L233E74-A78 PolarHBondContact O-N 2.62Å; I75-A78 PolarHBondContact O-N 3.47Å; I75-A78 VanDerWaalsContact O-N 3.12Å; A78-T80 VanDerWaalsContact C-N 3.35Å; A78-T80 PolarHBondContact O-N 3.31Å; A78-R81 WeakPolarHBondContact O-CB 3.41Å; A78-R81 PolarHBondContact O-N 2.95Å; A78-M82 PolarHBondContact O-N 3.34Å; A78-I226 WeakPolarHBondContact O-CG2 3.44Å; A78-L230 HydrophobicContact CB-CD2 3.55Å; A78-L230 HydrophobicContact CB-CG 3.9Å; A78-L233 HydrophobicContact CB-CD1 3.7Å
79L98.4Very high96.6Very high34 Ų3457 Ų5718%0.17827%0.267CS..Hα-helixtrans-61.8-41.7171.6-69.1173000111.3F58 A62 I75 G76 R81 M82 C83 L230F58-L79 HydrophobicContact CE1-CB 4.17Å; F58-L79 HydrophobicContact CE1-CD2 4.19Å; F58-L79 WeakPolarHBondContact CE1-O 3.43Å; F58-L79 HydrophobicContact CZ-CD2 3.86Å; A62-L79 HydrophobicContact CB-CB 3.52Å; I75-L79 HydrophobicContact CG2-CD1 4.1Å; I75-L79 HydrophobicContact CG2-CG 4.36Å; I75-L79 WeakPolarHBondContact O-CG 3.41Å; I75-L79 PolarHBondContact O-N 2.6Å; G76-L79 PolarHBondContact O-N 3.45Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 2.99Å; L79-M82 WeakPolarHBondContact O-CB 3.21Å; L79-M82 PolarHBondContact O-N 3Å; L79-M82 VanDerWaalsContact O-N 3.09Å; L79-C83 PolarHBondContact O-N 2.87Å; L79-L230 HydrophobicContact CD2-CD1 4.2Å; L79-L230 HydrophobicContact CD2-CD2 3.88Å; L79-L230 HydrophobicContact CG-CD2 3.99Å
80T98.3Very high96.8Very high41 Ų4150.1 Ų50.125%0.25224%0.242SC..Hα-helixtrans-61.1-40.7174.6-65.10000111.7Q59 A62 G76 A78 M82 C83 M84Q59-T80 PolarHBondContact NE2-OG1 2.93Å; A62-T80 WeakPolarHBondContact CB-OG1 3.4Å; G76-T80 PolarHBondContact O-N 2.99Å; G76-T80 PolarHBondContact O-OG1 2.91Å; A78-T80 VanDerWaalsContact C-N 3.35Å; A78-T80 PolarHBondContact O-N 3.31Å; T80-M82 VanDerWaalsContact C-N 3.33Å; T80-M82 PolarHBondContact O-N 3.4Å; T80-C83 PolarHBondContact O-N 3.44Å; T80-M84 WeakPolarHBondContact O-CG 3.39Å; T80-M84 PolarHBondContact O-N 2.9Å
81R97.3Very high97Very high108 Ų10851.4 Ų51.441%0.40825%0.252SS..Hα-helixtrans-58.9-44.3171.5-68.8-173.3-72.4-86.414.7111.7S77 A78 L79 M84 R85 I226 D229S77-R81 PolarHBondContact O-N 2.94Å; S77-R81 PolarHBondContact O-NH1 2.84Å; A78-R81 WeakPolarHBondContact O-CB 3.41Å; A78-R81 PolarHBondContact O-N 2.95Å; L79-R81 VanDerWaalsContact C-N 3.33Å; L79-R81 PolarHBondContact O-N 2.99Å; R81-M84 PolarHBondContact O-N 3.35Å; R81-R85 PolarHBondContact O-N 3.44Å; R81-R85 VanDerWaalsContact O-N 3.17Å; R81-I226 HydrophobicContact CB-CD1 3.97Å; R81-I226 HydrophobicContact CB-CG1 4.29Å; R81-I226 HydrophobicContact CB-CG2 4.11Å; R81-D229 IonicContact CZ-OD2 2.9Å; R81-D229 IonicContact NE-OD2 3.27Å; R81-D229 PolarHBondContact NE-OD2 2.88Å; R81-D229 IonicContact NH2-OD1 3.65Å; R81-D229 IonicContact NH2-OD2 2.7Å; R81-D229 PolarHBondContact NH2-OD2 3.31Å
82M97.5Very high97.1Very high22 Ų2253.4 Ų53.411%0.10826%0.258CS..Hα-helixtrans-63.5-42.7179.5-171.261.785.400111.9F58 A78 L79 T80 R85 H86 L223 I226 L230F58-M82 HydrophobicContact CE1-CB 4.48Å; F58-M82 HydrophobicContact CZ-CB 4.44Å; F58-M82 HydrophobicContact CZ-CG 4.27Å; A78-M82 PolarHBondContact O-N 3.34Å; L79-M82 WeakPolarHBondContact O-CB 3.21Å; L79-M82 PolarHBondContact O-N 3Å; L79-M82 VanDerWaalsContact O-N 3.09Å; T80-M82 VanDerWaalsContact C-N 3.33Å; T80-M82 PolarHBondContact O-N 3.4Å; M82-R85 PolarHBondContact O-N 3.16Å; M82-H86 PolarHBondContact O-N 3.34Å; M82-H86 VanDerWaalsContact O-N 3.11Å; M82-H86 PolarHBondContact O-ND1 2.84Å; M82-H86 VanDerWaalsContact SD-CE1 3.59Å; M82-L223 HydrophobicContact SD-CD2 3.69Å; M82-I226 HydrophobicContact CB-CG2 3.97Å; M82-I226 HydrophobicContact CE-CB 3.87Å; M82-I226 HydrophobicContact CE-CG2 3.87Å; M82-I226 HydrophobicContact SD-CB 4.45Å; M82-I226 HydrophobicContact SD-CG2 4.43Å; M82-L230 HydrophobicContact CB-CD1 4.37Å; M82-L230 HydrophobicContact CE-CD1 3.81Å
83C97.9Very high97.1Very high0 Ų052 Ų520%025%0.248CC..Hα-helixtrans-59.4-49.6175.5-175.60000111.7F58 Q59 L79 T80 R85 H86 R87F58-C83 HydrophobicContact CD1-CB 3.77Å; F58-C83 HydrophobicContact CE1-CB 4.09Å; Q59-C83 VanDerWaalsContact OE1-CB 3.22Å; Q59-C83 PolarHBondContact OE1-SG 2.88Å; L79-C83 PolarHBondContact O-N 2.87Å; T80-C83 PolarHBondContact O-N 3.44Å; C83-R85 VanDerWaalsContact C-N 3.3Å; C83-R85 PolarHBondContact O-N 3.06Å; C83-H86 PolarHBondContact O-N 2.95Å; C83-H86 VanDerWaalsContact O-N 3.07Å; C83-R87 PolarHBondContact O-N 2.87Å
84M96.8Very high97.2Very high112 Ų11250 Ų5055%0.55224%0.24SC*.Hα-helixtrans-63.9-32.5-178.9-68-58.3-67.200112.8T80 R81 R87 S88T80-M84 WeakPolarHBondContact O-CG 3.39Å; T80-M84 PolarHBondContact O-N 2.9Å; R81-M84 PolarHBondContact O-N 3.35Å; M84-R87 PolarHBondContact O-N 3.27Å; M84-S88 PolarHBondContact O-N 3.17Å; M84-S88 VanDerWaalsContact O-N 3.17Å
85R95.7Very high97.2Very high92 Ų9250 Ų5035%0.34724%0.241SC..Hα-helixtrans-69.7-37.9170.9-68.9-63.2169.6-156.8-6.4113.1R81 M82 C83 R87 S88 I89 E219 H222 L223 I226R81-R85 PolarHBondContact O-N 3.44Å; R81-R85 VanDerWaalsContact O-N 3.17Å; M82-R85 PolarHBondContact O-N 3.16Å; C83-R85 VanDerWaalsContact C-N 3.3Å; C83-R85 PolarHBondContact O-N 3.06Å; R85-R87 VanDerWaalsContact C-N 3.33Å; R85-R87 PolarHBondContact O-N 3.12Å; R85-S88 VanDerWaalsContact O-CB 3.24Å; R85-S88 WeakPolarHBondContact O-CB 3.32Å; R85-S88 PolarHBondContact O-N 3.5Å; R85-I89 PolarHBondContact O-N 2.91Å; R85-I89 VanDerWaalsContact O-N 3.09Å; R85-E219 IonicContact NH1-OE2 3.54Å; R85-E219 PolarHBondContact NH1-OE2 2.94Å; R85-H222 HydrophobicContact CG-CB 4.22Å; R85-L223 HydrophobicContact CB-CD2 3.58Å; R85-I226 HydrophobicContact CB-CD1 4.39Å; R85-I226 HydrophobicContact CG-CD1 3.56Å
86H96.4Very high97.2Very high66 Ų6649.1 Ų49.131%0.30624%0.235SC..Hα-helixtrans-66.6-33.7173.2-74.680.8000112.5L55 M82 C83 S88 I89 E90L55-H86 HydrophobicContact CD1-CB 3.77Å; L55-H86 HydrophobicContact CD2-CB 3.45Å; L55-H86 VanDerWaalsContact CD2-CB 3.45Å; L55-H86 HydrophobicContact CG-CB 4.26Å; M82-H86 PolarHBondContact O-N 3.34Å; M82-H86 VanDerWaalsContact O-N 3.11Å; M82-H86 PolarHBondContact O-ND1 2.84Å; M82-H86 VanDerWaalsContact SD-CE1 3.59Å; C83-H86 PolarHBondContact O-N 2.95Å; C83-H86 VanDerWaalsContact O-N 3.07Å; H86-S88 VanDerWaalsContact C-N 3.3Å; H86-S88 PolarHBondContact O-N 3.42Å; H86-I89 PolarHBondContact O-N 2.83Å; H86-E90 WeakPolarHBondContact O-CB 3.45Å; H86-E90 PolarHBondContact O-N 3.3Å
87R97.1Very high97.2Very high73 Ų7349.3 Ų49.328%0.27524%0.237SC..Hα-helixtrans-64-34.2171.2-68.7-173-169.4-105.2-4.3112.4L55 D56 C83 M84 R85 E90 A91L55-R87 HydrophobicContact CB-CG 4.39Å; L55-R87 HydrophobicContact CD1-CG 3.85Å; L55-R87 PolarHBondContact O-NH2 3.22Å; D56-R87 IonicContact OD1-CZ 2.95Å; D56-R87 VanDerWaalsContact OD1-CZ 3.27Å; D56-R87 IonicContact OD1-NH1 3.77Å; D56-R87 PolarHBondContact OD1-NH1 2.78Å; D56-R87 IonicContact OD1-NH2 3.23Å; D56-R87 PolarHBondContact OD1-NH2 2.95Å; C83-R87 PolarHBondContact O-N 2.87Å; M84-R87 PolarHBondContact O-N 3.27Å; R85-R87 VanDerWaalsContact C-N 3.33Å; R85-R87 PolarHBondContact O-N 3.12Å; R87-E90 PolarHBondContact O-N 2.93Å; R87-A91 WeakPolarHBondContact O-CB 3.5Å; R87-A91 PolarHBondContact O-N 3.49Å
88S96.3Very high97.2Very high37 Ų3750.1 Ų50.126%0.25924%0.243SC..Hα-helixtrans-62.3-47.3172.3-159.80000111.6M84 R85 H86 E90 A91 K92 E219M84-S88 PolarHBondContact O-N 3.17Å; M84-S88 VanDerWaalsContact O-N 3.17Å; R85-S88 VanDerWaalsContact O-CB 3.24Å; R85-S88 WeakPolarHBondContact O-CB 3.32Å; R85-S88 PolarHBondContact O-N 3.5Å; H86-S88 VanDerWaalsContact C-N 3.3Å; H86-S88 PolarHBondContact O-N 3.42Å; S88-E90 PolarHBondContact O-N 3.33Å; S88-A91 PolarHBondContact O-N 2.67Å; S88-K92 PolarHBondContact O-N 2.71Å; S88-E219 WeakPolarHBondContact CB-OE2 3.28Å; S88-E219 PolarHBondContact OG-OE2 3.36Å
89I96.1Very high97.3Very high37 Ų3750.8 Ų50.819%0.1925%0.248CC..Hα-helixtrans-64-39.8175.7-64.8166.1000111.3R85 H86 K92 L93 E219 L223R85-I89 PolarHBondContact O-N 2.91Å; R85-I89 VanDerWaalsContact O-N 3.09Å; H86-I89 PolarHBondContact O-N 2.83Å; I89-K92 PolarHBondContact O-N 2.68Å; I89-L93 WeakPolarHBondContact O-CB 3.3Å; I89-L93 PolarHBondContact O-N 2.83Å; I89-E219 HydrophobicContact CD1-CB 4.1Å; I89-E219 HydrophobicContact CG1-CB 3.53Å; I89-E219 HydrophobicContact CG1-CG 4.24Å; I89-L223 HydrophobicContact CD1-CD1 3.71Å; I89-L223 HydrophobicContact CD1-CD2 4.27Å; I89-L223 HydrophobicContact CD1-CG 4.18Å
90E96.4Very high97.3Very high21 Ų2149.6 Ų49.610%0.09824%0.241CC..Hα-helixtrans-62.5-42.7175.3-168.9-140.6123.800111.8A51 A52 L55 H86 R87 S88 K92 L93 R94A51-E90 HydrophobicContact CB-CG 4.21Å; A52-E90 WeakPolarHBondContact CA-OE2 3.36Å; L55-E90 HydrophobicContact CD1-CB 4.41Å; H86-E90 WeakPolarHBondContact O-CB 3.45Å; H86-E90 PolarHBondContact O-N 3.3Å; R87-E90 PolarHBondContact O-N 2.93Å; S88-E90 PolarHBondContact O-N 3.33Å; E90-K92 VanDerWaalsContact C-N 3.33Å; E90-K92 PolarHBondContact O-N 2.92Å; E90-L93 PolarHBondContact O-N 3.38Å; E90-R94 WeakPolarHBondContact O-CG 3.49Å; E90-R94 PolarHBondContact O-N 3.15Å; E90-R94 IonicContact OE1-CZ 2.65Å; E90-R94 IonicContact OE1-NE 2.63Å; E90-R94 PolarHBondContact OE1-NE 3.2Å; E90-R94 IonicContact OE1-NH2 2.78Å; E90-R94 PolarHBondContact OE1-NH2 3.42Å
91A96.8Very high97.3Very high43 Ų4349.3 Ų49.336%0.35524%0.238SC..Hα-helixtrans-63.9-36.3174.400000112.3R87 S88 R94 Q95R87-A91 WeakPolarHBondContact O-CB 3.5Å; R87-A91 PolarHBondContact O-N 3.49Å; S88-A91 PolarHBondContact O-N 2.67Å; A91-R94 WeakPolarHBondContact O-CB 3.4Å; A91-R94 PolarHBondContact O-N 3.37Å; A91-Q95 WeakPolarHBondContact O-CG 3.41Å; A91-Q95 PolarHBondContact O-N 3.14Å; A91-Q95 VanDerWaalsContact O-N 3.16Å
92K96.1Very high97.3Very high48 Ų4848.6 Ų48.621%0.20924%0.242CC..Hα-helixtrans-71.7-36.4172-79.2-51.4-153.2164.10113.6S88 I89 E90 R94 Q95 F96 E212 S215 M216S88-K92 PolarHBondContact O-N 2.71Å; I89-K92 PolarHBondContact O-N 2.68Å; E90-K92 VanDerWaalsContact C-N 3.33Å; E90-K92 PolarHBondContact O-N 2.92Å; K92-R94 VanDerWaalsContact C-N 3.27Å; K92-R94 PolarHBondContact O-N 2.92Å; K92-Q95 PolarHBondContact O-N 3.06Å; K92-Q95 VanDerWaalsContact O-N 3.11Å; K92-F96 WeakPolarHBondContact O-CB 3.46Å; K92-F96 PolarHBondContact O-N 2.76Å; K92-E212 IonicContact NZ-OE1 3.31Å; K92-E212 PolarHBondContact NZ-OE1 2.84Å; K92-E212 IonicContact NZ-OE2 3.42Å; K92-E212 PolarHBondContact NZ-OE2 3.37Å; K92-S215 WeakPolarHBondContact CD-OG 3.34Å; K92-S215 WeakPolarHBondContact CE-OG 3.47Å; K92-S215 PolarHBondContact NZ-OG 2.85Å; K92-S215 VanDerWaalsContact NZ-OG 3.11Å; K92-M216 HydrophobicContact CB-CG 3.47Å; K92-M216 VanDerWaalsContact CB-CG 3.47Å; K92-M216 HydrophobicContact CB-SD 4.44Å; K92-M216 HydrophobicContact CG-CG 4.46Å
93L97.1Very high97.4Very high34 Ų3449.7 Ų49.718%0.17825%0.252CS..Hα-helixtrans-64.8-32.6173.3-16966000111.9L44 V48 I89 E90 F96 S97 M216L44-L93 HydrophobicContact CD2-CD1 3.97Å; V48-L93 HydrophobicContact CG2-CB 4.12Å; V48-L93 HydrophobicContact CG2-CD2 3.79Å; V48-L93 HydrophobicContact CG2-CG 3.78Å; I89-L93 WeakPolarHBondContact O-CB 3.3Å; I89-L93 PolarHBondContact O-N 2.83Å; E90-L93 PolarHBondContact O-N 3.38Å; L93-F96 HydrophobicContact CD1-CD1 4.23Å; L93-S97 VanDerWaalsContact O-CB 3.3Å; L93-S97 WeakPolarHBondContact O-CB 3.39Å; L93-S97 PolarHBondContact O-N 3.33Å; L93-M216 HydrophobicContact CB-SD 4.06Å; L93-M216 HydrophobicContact CD1-CE 4.23Å; L93-M216 HydrophobicContact CD1-SD 3.87Å
94R97.7Very high97.4Very high108 Ų10849.9 Ų49.941%0.40825%0.253SS..Hα-helixtrans-61.6-49.6167.7-73.6169.3-171.8-87.60.8111.7V48 E90 A91 K92 S97 S98V48-R94 HydrophobicContact CB-CG 4.42Å; V48-R94 HydrophobicContact CG1-CG 3.41Å; V48-R94 VanDerWaalsContact CG1-CG 3.41Å; V48-R94 HydrophobicContact CG2-CG 4.09Å; E90-R94 WeakPolarHBondContact O-CG 3.49Å; E90-R94 PolarHBondContact O-N 3.15Å; E90-R94 IonicContact OE1-CZ 2.65Å; E90-R94 IonicContact OE1-NE 2.63Å; E90-R94 PolarHBondContact OE1-NE 3.2Å; E90-R94 IonicContact OE1-NH2 2.78Å; E90-R94 PolarHBondContact OE1-NH2 3.42Å; A91-R94 WeakPolarHBondContact O-CB 3.4Å; A91-R94 PolarHBondContact O-N 3.37Å; K92-R94 VanDerWaalsContact C-N 3.27Å; K92-R94 PolarHBondContact O-N 2.92Å; R94-S97 PolarHBondContact O-N 2.9Å; R94-S98 PolarHBondContact O-N 3.16Å
95Q97.6Very high97.5Very high91 Ų9145.1 Ų45.143%0.42523%0.23SC..Hα-helixtrans-61.4-45.9179.8-70.8173.39.100111.8A91 K92 S97 S98 A99 E212A91-Q95 WeakPolarHBondContact O-CG 3.41Å; A91-Q95 PolarHBondContact O-N 3.14Å; A91-Q95 VanDerWaalsContact O-N 3.16Å; K92-Q95 PolarHBondContact O-N 3.06Å; K92-Q95 VanDerWaalsContact O-N 3.11Å; Q95-S97 PolarHBondContact O-N 3.43Å; Q95-S98 PolarHBondContact O-N 2.65Å; Q95-S98 VanDerWaalsContact O-N 3.16Å; Q95-A99 PolarHBondContact O-N 3Å; Q95-E212 HydrophobicContact CB-CG 4.49Å; Q95-E212 PolarHBondContact OE1-OE2 2.99Å
96F98.1Very high97.6Very high21 Ų2144.1 Ų44.19%0.09223%0.231CC..Hα-helixtrans-56.5-45.5171174.4-104000112.7L44 K92 L93 S98 A99 L100 V209 E212 E213 M216L44-F96 HydrophobicContact CD1-CD1 4.04Å; L44-F96 HydrophobicContact CD1-CE1 3.63Å; L44-F96 HydrophobicContact CD2-CE1 4.32Å; K92-F96 WeakPolarHBondContact O-CB 3.46Å; K92-F96 PolarHBondContact O-N 2.76Å; L93-F96 HydrophobicContact CD1-CD1 4.23Å; F96-S98 VanDerWaalsContact C-N 3.28Å; F96-S98 PolarHBondContact O-N 3.5Å; F96-A99 PolarHBondContact O-N 2.9Å; F96-L100 WeakPolarHBondContact O-CB 3.42Å; F96-L100 PolarHBondContact O-N 2.99Å; F96-V209 HydrophobicContact CD2-CG1 4Å; F96-V209 WeakPolarHBondContact CD2-O 3.31Å; F96-V209 HydrophobicContact CE2-CG1 3.67Å; F96-V209 HydrophobicContact CZ-CG1 4.41Å; F96-E212 HydrophobicContact CB-CB 4.11Å; F96-E212 HydrophobicContact CD2-CB 4.4Å; F96-E213 HydrophobicContact CD2-CB 3.97Å; F96-E213 HydrophobicContact CE2-CB 3.79Å; F96-E213 HydrophobicContact CE2-CG 4.28Å; F96-M216 HydrophobicContact CB-CE 3.92Å; F96-M216 HydrophobicContact CD1-CE 4.2Å; F96-M216 HydrophobicContact CD2-CE 4.2Å; F96-M216 HydrophobicContact CG-CE 3.86Å
97S98.3Very high97.7Very high5 Ų542.8 Ų42.84%0.03523%0.228CC..Hα-helixtrans-66-27.5177.8-171.30000113.3Q41 L93 R94 Q95Q41-S97 WeakPolarHBondContact CG-O 3.48Å; Q41-S97 PolarHBondContact NE2-O 3.48Å; L93-S97 VanDerWaalsContact O-CB 3.3Å; L93-S97 WeakPolarHBondContact O-CB 3.39Å; L93-S97 PolarHBondContact O-N 3.33Å; R94-S97 PolarHBondContact O-N 2.9Å; Q95-S97 PolarHBondContact O-N 3.43Å
98S98.3Very high97.8Very high60 Ų6039.3 Ų39.342%0.4222%0.215SC..Hα-helixtrans-75.7-51.4170.5-810000111.5R94 Q95 F96 L100 I101 D102R94-S98 PolarHBondContact O-N 3.16Å; Q95-S98 PolarHBondContact O-N 2.65Å; Q95-S98 VanDerWaalsContact O-N 3.16Å; F96-S98 VanDerWaalsContact C-N 3.28Å; F96-S98 PolarHBondContact O-N 3.5Å; S98-L100 PolarHBondContact O-N 3.16Å; S98-L100 VanDerWaalsContact O-N 3.13Å; S98-I101 WeakPolarHBondContact O-CG2 3.27Å; S98-I101 PolarHBondContact O-N 3.3Å; S98-D102 WeakPolarHBondContact O-CB 3.19Å; S98-D102 PolarHBondContact O-N 3.13Å
99A98.4Very high97.9Very high13 Ų1341.6 Ų41.611%0.10722%0.222CC..Hα-helixtrans-53.7-38.6177.500000112.3Q95 F96 I101 C103 V209 E212Q95-A99 PolarHBondContact O-N 3Å; F96-A99 PolarHBondContact O-N 2.9Å; A99-I101 PolarHBondContact O-N 3.38Å; A99-C103 WeakPolarHBondContact O-CA 3.3Å; A99-C103 VanDerWaalsContact O-CB 3.23Å; A99-C103 WeakPolarHBondContact O-CB 3.06Å; A99-C103 PolarHBondContact O-N 2.93Å; A99-V209 HydrophobicContact CB-CG2 4.41Å; A99-E212 HydrophobicContact CB-CG 4.26Å
100L98.6Very high97.9Very high9 Ų947 Ų475%0.04725%0.246CC..Iπ-helixtrans-60.3-38.4175.9179.758.8000113.5L40 Q41 L44 F96 S98 L104 I105 V209L40-L100 HydrophobicContact CD2-CD2 4.28Å; L40-L100 HydrophobicContact CG-CD2 4.24Å; Q41-L100 HydrophobicContact CB-CD2 3.77Å; Q41-L100 HydrophobicContact CB-CG 4.17Å; Q41-L100 HydrophobicContact CG-CB 4.3Å; Q41-L100 HydrophobicContact CG-CD2 4.01Å; Q41-L100 HydrophobicContact CG-CG 4.11Å; L44-L100 HydrophobicContact CD1-CD2 3.75Å; F96-L100 WeakPolarHBondContact O-CB 3.42Å; F96-L100 PolarHBondContact O-N 2.99Å; S98-L100 PolarHBondContact O-N 3.16Å; S98-L100 VanDerWaalsContact O-N 3.13Å; L100-L104 HydrophobicContact CD1-CD2 4.06Å; L100-I105 HydrophobicContact CD1-CD1 4.29Å; L100-I105 HydrophobicContact CG-CD1 3.94Å; L100-I105 WeakPolarHBondContact O-CD1 3.41Å; L100-I105 VanDerWaalsContact O-CG1 3.25Å; L100-I105 WeakPolarHBondContact O-CG1 3.33Å; L100-I105 PolarHBondContact O-N 3.48Å; L100-V209 HydrophobicContact CB-CG1 4.03Å; L100-V209 HydrophobicContact CD1-CG1 4.22Å
101I98.6Very high98Very high36 Ų3648.5 Ų48.519%0.18525%0.253CS..Iπ-helixtrans-82.8-46.4177.3-176.961.2000111.9Q41 S98 A99 I105 N106Q41-I101 HydrophobicContact CG-CB 4.04Å; Q41-I101 HydrophobicContact CG-CG2 4.47Å; S98-I101 WeakPolarHBondContact O-CG2 3.27Å; S98-I101 PolarHBondContact O-N 3.3Å; A99-I101 PolarHBondContact O-N 3.38Å; I101-I105 HydrophobicContact CD1-CB 3.85Å; I101-I105 HydrophobicContact CD1-CD1 4.21Å; I101-I105 HydrophobicContact CD1-CG2 3.66Å; I101-N106 VanDerWaalsContact CD1-OD1 3.25Å; I101-N106 WeakPolarHBondContact CD1-OD1 3.42Å; I101-N106 PolarHBondContact O-N 2.78Å
102D98.4Very high98Very high92 Ų9246.4 Ų46.449%0.49224%0.236SC..Iπ-helixtrans-83.5-32.8-167.9-58.4-41.3000113.1S98 P107S98-D102 WeakPolarHBondContact O-CB 3.19Å; S98-D102 PolarHBondContact O-N 3.13Å; D102-P107 WeakPolarHBondContact O-CD 3.2Å; D102-P107 VanDerWaalsContact O-CG 3.27Å; D102-P107 WeakPolarHBondContact O-CG 3.44Å
103C98.4Very high98.1Very high46 Ų4648.7 Ų48.731%0.31125%0.247SC..Iπ-helixtrans-99.6-24.2-179.1-53.70000113.9A99 M205 P208A99-C103 WeakPolarHBondContact O-CA 3.3Å; A99-C103 VanDerWaalsContact O-CB 3.23Å; A99-C103 WeakPolarHBondContact O-CB 3.06Å; A99-C103 PolarHBondContact O-N 2.93Å; C103-M205 WeakPolarHBondContact O-CA 3.42Å; C103-M205 VanDerWaalsContact O-CB 3.3Å; C103-M205 WeakPolarHBondContact O-CB 3.4Å; C103-P208 HydrophobicContact CB-CB 4.36Å; C103-P208 HydrophobicContact CB-CG 3.62Å
104L98.7Very high98.1Very high3 Ų350.9 Ų50.92%0.01626%0.257CS..Iπ-helixtrans-116.5-61.4-175.6-177.360.4000114.2F33 L100 L108 F202 M205 L206 V209F33-L104 HydrophobicContact CE1-CD2 4.23Å; F33-L104 HydrophobicContact CE1-CG 4.46Å; F33-L104 HydrophobicContact CZ-CD2 4.17Å; L100-L104 HydrophobicContact CD1-CD2 4.06Å; L104-L108 HydrophobicContact CD1-CD2 4.41Å; L104-L108 WeakPolarHBondContact O-CB 3.17Å; L104-L108 PolarHBondContact O-N 3.23Å; L104-L108 VanDerWaalsContact O-N 3.07Å; L104-F202 HydrophobicContact CD1-CD2 4.04Å; L104-F202 HydrophobicContact CD1-CE2 3.95Å; L104-M205 HydrophobicContact CD1-CB 3.68Å; L104-L206 HydrophobicContact CD1-CB 4.47Å; L104-L206 HydrophobicContact CD2-CD1 3.8Å; L104-V209 HydrophobicContact CB-CG2 3.9Å; L104-V209 HydrophobicContact CD2-CG2 4.43Å
105I98.7Very high98.1Very high13 Ų1346.1 Ų46.17%0.06724%0.239CC..Iπ-helixtrans-64.5-54.8-171.8-68.7159.8000111.8I34 A37 Q41 L100 I101 Q109I34-I105 HydrophobicContact CG2-CG2 4.27Å; A37-I105 VanDerWaalsContact C-CD1 3.47Å; A37-I105 HydrophobicContact CB-CD1 3.87Å; A37-I105 HydrophobicContact CB-CG1 3.63Å; Q41-I105 HydrophobicContact CB-CD1 3.94Å; Q41-I105 HydrophobicContact CG-CD1 4.33Å; L100-I105 HydrophobicContact CD1-CD1 4.29Å; L100-I105 HydrophobicContact CG-CD1 3.94Å; L100-I105 WeakPolarHBondContact O-CD1 3.41Å; L100-I105 VanDerWaalsContact O-CG1 3.25Å; L100-I105 WeakPolarHBondContact O-CG1 3.33Å; L100-I105 PolarHBondContact O-N 3.48Å; I101-I105 HydrophobicContact CD1-CB 3.85Å; I101-I105 HydrophobicContact CD1-CD1 4.21Å; I101-I105 HydrophobicContact CD1-CG2 3.66Å; I105-Q109 VanDerWaalsContact O-CB 3.26Å; I105-Q109 WeakPolarHBondContact O-CB 3.29Å; I105-Q109 PolarHBondContact O-N 2.97Å
106N98.4Very high98.2Very high71 Ų7143.8 Ų43.838%0.3823%0.227SC..Hα-helixtrans-66.1-48.9-176.8-63.9-20.8000111.9I101 L108 Q109 E110I101-N106 VanDerWaalsContact CD1-OD1 3.25Å; I101-N106 WeakPolarHBondContact CD1-OD1 3.42Å; I101-N106 PolarHBondContact O-N 2.78Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 2.99Å; N106-Q109 PolarHBondContact O-N 3.36Å; N106-Q109 VanDerWaalsContact O-N 3.17Å; N106-E110 PolarHBondContact O-N 3.22Å
107P98.5Very high98.2Very high37 Ų3748.5 Ų48.524%0.2425%0.247CC..Hα-helixtrans-63.1-36.7179.5-25.738.3000113.4D102 Q111 M205D102-P107 WeakPolarHBondContact O-CD 3.2Å; D102-P107 VanDerWaalsContact O-CG 3.27Å; D102-P107 WeakPolarHBondContact O-CG 3.44Å; P107-Q111 WeakPolarHBondContact O-CB 3.44Å; P107-Q111 PolarHBondContact O-N 3.14Å; P107-M205 HydrophobicContact CB-CE 3.73Å; P107-M205 HydrophobicContact CB-CG 4.32Å; P107-M205 HydrophobicContact CB-SD 4.27Å; P107-M205 WeakPolarHBondContact O-CE 3.35Å
108L98.5Very high98.2Very high0 Ų050.3 Ų50.30%026%0.258CS..Hα-helixtrans-68.9-38.5176.3-171.963.3000111.3W30 F33 I34 L104 N106 Q111 M112 W115 F202 M205W30-L108 HydrophobicContact CE3-CD1 4.35Å; W30-L108 HydrophobicContact CE3-CD2 4.27Å; F33-L108 HydrophobicContact CD1-CD2 3.79Å; F33-L108 HydrophobicContact CE1-CD2 3.95Å; I34-L108 HydrophobicContact CD1-CD2 4.37Å; I34-L108 HydrophobicContact CD1-CG 4.12Å; I34-L108 HydrophobicContact CG1-CD2 3.84Å; I34-L108 HydrophobicContact CG1-CG 4.09Å; L104-L108 HydrophobicContact CD1-CD2 4.41Å; L104-L108 WeakPolarHBondContact O-CB 3.17Å; L104-L108 PolarHBondContact O-N 3.23Å; L104-L108 VanDerWaalsContact O-N 3.07Å; N106-L108 VanDerWaalsContact C-N 3.34Å; N106-L108 PolarHBondContact O-N 2.99Å; L108-Q111 PolarHBondContact O-N 3.17Å; L108-M112 VanDerWaalsContact O-CG 3.32Å; L108-M112 WeakPolarHBondContact O-CG 3.29Å; L108-M112 PolarHBondContact O-N 3.01Å; L108-M112 VanDerWaalsContact O-N 3.15Å; L108-W115 HydrophobicContact CD1-CH2 3.58Å; L108-W115 HydrophobicContact CD1-CZ3 3.81Å; L108-F202 HydrophobicContact CD1-CD2 4.45Å; L108-F202 HydrophobicContact CD2-CD2 4.09Å; L108-F202 HydrophobicContact CD2-CE2 4.4Å; L108-M205 HydrophobicContact CB-SD 3.95Å; L108-M205 HydrophobicContact CD1-SD 4.04Å
109Q98Very high98.2Very high86 Ų8647.5 Ų47.540%0.40224%0.239SC..Hα-helixtrans-64.8-37177.4-178.759.187.700112.8I34 I105 N106I34-Q109 HydrophobicContact CD1-CB 4.39Å; I34-Q109 HydrophobicContact CG2-CB 4.43Å; I105-Q109 VanDerWaalsContact O-CB 3.26Å; I105-Q109 WeakPolarHBondContact O-CB 3.29Å; I105-Q109 PolarHBondContact O-N 2.97Å; N106-Q109 PolarHBondContact O-N 3.36Å; N106-Q109 VanDerWaalsContact O-N 3.17Å
110E96.8Very high98.2Very high151 Ų15149.9 Ų49.971%0.70625%0.25SC*.Hα-helixtrans-69.8-46.1172.1-69.6175.2-160.800111.7N106 M112 E113N106-E110 PolarHBondContact O-N 3.22Å; E110-M112 PolarHBondContact O-N 3.37Å; E110-E113 PolarHBondContact O-N 2.63Å
111Q97.6Very high98.2Very high51 Ų5153.7 Ų53.724%0.23827%0.267CS..Hα-helixtrans-60.7-27.8-176.1-178.864.691.700113.2P107 L108 E113 E114 W115 T201 M205P107-Q111 WeakPolarHBondContact O-CB 3.44Å; P107-Q111 PolarHBondContact O-N 3.14Å; L108-Q111 PolarHBondContact O-N 3.17Å; Q111-E113 PolarHBondContact O-N 2.74Å; Q111-E114 PolarHBondContact O-N 3.28Å; Q111-W115 HydrophobicContact CG-CD2 3.89Å; Q111-W115 HydrophobicContact CG-CE3 4.5Å; Q111-W115 HydrophobicContact CG-CG 4.35Å; Q111-W115 HydrophobicContact CG-CH2 4.2Å; Q111-W115 HydrophobicContact CG-CZ2 3.52Å; Q111-W115 PolarHBondContact O-N 3.34Å; Q111-T201 HydrophobicContact CG-CG2 4.25Å; Q111-M205 HydrophobicContact CB-CE 3.98Å; Q111-M205 HydrophobicContact CG-CE 4.18Å
112M98Very high98.2Very high0 Ų053.6 Ų53.60%027%0.267CS..Hα-helixtrans-55.4-43.6176.5-80.7-68.7-65.500114.1Y27 W30 E31 I34 L108 E110 E114 W115 K116Y27-M112 HydrophobicContact CD1-CE 3.69Å; Y27-M112 HydrophobicContact CD1-SD 4.34Å; Y27-M112 HydrophobicContact CG-CE 4.07Å; W30-M112 HydrophobicContact CB-CE 3.99Å; W30-M112 HydrophobicContact CB-SD 3.43Å; W30-M112 WeakPolarHBondContact CB-SD 3.37Å; W30-M112 HydrophobicContact CG-SD 3.94Å; E31-M112 HydrophobicContact CG-CE 3.67Å; E31-M112 WeakPolarHBondContact OE1-CE 3.47Å; I34-M112 HydrophobicContact CD1-CG 4.01Å; L108-M112 VanDerWaalsContact O-CG 3.32Å; L108-M112 WeakPolarHBondContact O-CG 3.29Å; L108-M112 PolarHBondContact O-N 3.01Å; L108-M112 VanDerWaalsContact O-N 3.15Å; E110-M112 PolarHBondContact O-N 3.37Å; M112-E114 VanDerWaalsContact C-N 3.34Å; M112-W115 PolarHBondContact O-N 3.47Å; M112-W115 HydrophobicContact SD-CE3 3.93Å; M112-W115 HydrophobicContact SD-CZ3 4.2Å; M112-K116 WeakPolarHBondContact O-CG 2.78Å; M112-K116 PolarHBondContact O-N 3.22Å
113E96.6Very high98.1Very high95 Ų9550.9 Ų50.944%0.44425%0.252SS..Hα-helixtrans-73.1-29.2-179.6-68.7-52.7127.900112E110 Q111 K116 K117E110-E113 PolarHBondContact O-N 2.63Å; Q111-E113 PolarHBondContact O-N 2.74Å; E113-K116 PolarHBondContact O-N 3Å; E113-K116 VanDerWaalsContact OE1-CD 3.24Å; E113-K116 WeakPolarHBondContact OE1-CD 2.93Å; E113-K116 WeakPolarHBondContact OE1-CE 3.39Å; E113-K116 IonicContact OE1-NZ 2.78Å; E113-K116 PolarHBondContact OE1-NZ 2.78Å; E113-K117 VanDerWaalsContact O-CE 3.24Å; E113-K117 WeakPolarHBondContact O-CE 3.48Å; E113-K117 WeakPolarHBondContact O-CG 3.44Å; E113-K117 PolarHBondContact O-N 3.41Å
114E97.8Very high98.1Very high80 Ų8054.9 Ų54.937%0.37426%0.264SS..Hα-helixtrans-72.7-40172.1-163.755.4-132.300111.6Q111 M112 K116 K117 V118Q111-E114 PolarHBondContact O-N 3.28Å; M112-E114 VanDerWaalsContact C-N 3.34Å; E114-K116 PolarHBondContact O-N 3.44Å; E114-K117 WeakPolarHBondContact O-CA 3.45Å; E114-K117 WeakPolarHBondContact O-CB 3.27Å; E114-K117 PolarHBondContact O-N 2.76Å; E114-K117 WeakPolarHBondContact OE2-CD 3.48Å; E114-K117 WeakPolarHBondContact OE2-CE 3.4Å; E114-K117 IonicContact OE2-NZ 3.24Å; E114-K117 PolarHBondContact OE2-NZ 3.03Å; E114-V118 HydrophobicContact CG-CG2 4.32Å; E114-V118 WeakPolarHBondContact O-CG2 3.47Å; E114-V118 PolarHBondContact O-N 3.45Å
115W98.6Very high98.1Very high9 Ų957.7 Ų57.73%0.03428%0.279CS..Hα-helixtrans-61.5-31.2171-70.3-16.4000112.9Y27 W30 L108 Q111 M112 A119 R198 T201Y27-W115 HydrophobicContact CE1-CB 4.29Å; Y27-W115 PolarHBondContact OH-O 2.97Å; W30-W115 HydrophobicContact CD2-CZ3 4.04Å; W30-W115 AromaticContact CE2-CZ3 3.98Å; W30-W115 HydrophobicContact CG-CZ3 4.3Å; W30-W115 HydrophobicContact CZ2-CZ3 4.39Å; L108-W115 HydrophobicContact CD1-CH2 3.58Å; L108-W115 HydrophobicContact CD1-CZ3 3.81Å; Q111-W115 HydrophobicContact CG-CD2 3.89Å; Q111-W115 HydrophobicContact CG-CE3 4.5Å; Q111-W115 HydrophobicContact CG-CG 4.35Å; Q111-W115 HydrophobicContact CG-CH2 4.2Å; Q111-W115 HydrophobicContact CG-CZ2 3.52Å; Q111-W115 PolarHBondContact O-N 3.34Å; M112-W115 PolarHBondContact O-N 3.47Å; M112-W115 HydrophobicContact SD-CE3 3.93Å; M112-W115 HydrophobicContact SD-CZ3 4.2Å; W115-A119 WeakPolarHBondContact O-CB 3.44Å; W115-A119 PolarHBondContact O-N 3.37Å; W115-R198 HydrophobicContact CD2-CB 4.36Å; W115-R198 HydrophobicContact CD2-CG 3.84Å; W115-R198 HydrophobicContact CE3-CG 4.45Å; W115-R198 HydrophobicContact CG-CG 4.07Å; W115-R198 HydrophobicContact CH2-CB 4.1Å; W115-R198 HydrophobicContact CZ2-CB 3.76Å; W115-R198 HydrophobicContact CZ2-CG 4.01Å; W115-R198 WeakPolarHBondContact CZ2-O 3.3Å; W115-R198 PolarHBondContact O-NH2 3.32Å; W115-T201 HydrophobicContact CZ2-CG2 4.23Å
116K98.3Very high98.1Very high42 Ų4258.1 Ų58.118%0.18328%0.281CS..Hα-helixtrans-68.3-39.6170-71.6165.3-169.5175.80111.7Y27 E31 M112 E113 E114 N120Y27-K116 HydrophobicContact CD1-CG 4.08Å; Y27-K116 HydrophobicContact CD2-CG 4.06Å; Y27-K116 HydrophobicContact CE1-CG 3.73Å; Y27-K116 HydrophobicContact CE2-CG 3.71Å; Y27-K116 HydrophobicContact CG-CG 4.26Å; Y27-K116 WeakPolarHBondContact OH-CA 3.39Å; E31-K116 IonicContact OE1-NZ 2.75Å; E31-K116 PolarHBondContact OE1-NZ 3.09Å; M112-K116 WeakPolarHBondContact O-CG 2.78Å; M112-K116 PolarHBondContact O-N 3.22Å; E113-K116 PolarHBondContact O-N 3Å; E113-K116 VanDerWaalsContact OE1-CD 3.24Å; E113-K116 WeakPolarHBondContact OE1-CD 2.93Å; E113-K116 WeakPolarHBondContact OE1-CE 3.39Å; E113-K116 IonicContact OE1-NZ 2.78Å; E113-K116 PolarHBondContact OE1-NZ 2.78Å; E114-K116 PolarHBondContact O-N 3.44Å; K116-N120 WeakPolarHBondContact O-CB 3.33Å; K116-N120 PolarHBondContact O-N 3.27Å; K116-N120 PolarHBondContact O-ND2 2.95Å
117K98.3Very high98.1Very high119 Ų11957.2 Ų57.252%0.51728%0.284SS..Hα-helixtrans-66-53.7174.4-74.1171.7-114.2161.40112.4E113 E114 A119 N120 Q121E113-K117 VanDerWaalsContact O-CE 3.24Å; E113-K117 WeakPolarHBondContact O-CE 3.48Å; E113-K117 WeakPolarHBondContact O-CG 3.44Å; E113-K117 PolarHBondContact O-N 3.41Å; E114-K117 WeakPolarHBondContact O-CA 3.45Å; E114-K117 WeakPolarHBondContact O-CB 3.27Å; E114-K117 PolarHBondContact O-N 2.76Å; E114-K117 WeakPolarHBondContact OE2-CD 3.48Å; E114-K117 WeakPolarHBondContact OE2-CE 3.4Å; E114-K117 IonicContact OE2-NZ 3.24Å; E114-K117 PolarHBondContact OE2-NZ 3.03Å; K117-A119 PolarHBondContact O-N 3.34Å; K117-N120 PolarHBondContact O-N 3.37Å; K117-Q121 PolarHBondContact O-N 3.22Å
118V98.4Very high98.1Very high44 Ų4461.5 Ų61.527%0.26730%0.299SS..Hα-helixtrans-62.3-46.3-174176.50000112.3E114 N120 Q121 L122 E194E114-V118 HydrophobicContact CG-CG2 4.32Å; E114-V118 WeakPolarHBondContact O-CG2 3.47Å; E114-V118 PolarHBondContact O-N 3.45Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 3.46Å; V118-Q121 PolarHBondContact O-N 3.37Å; V118-L122 HydrophobicContact CG1-CD1 4.21Å; V118-L122 HydrophobicContact CG1-CG 4.43Å; V118-L122 PolarHBondContact O-N 3.22Å; V118-E194 HydrophobicContact CG1-CG 4.17Å; V118-E194 WeakPolarHBondContact CG1-OE2 3.41Å
119A98.2Very high98Very high0 Ų064.8 Ų64.80%031%0.314CS..Hα-helixtrans-61.2-39.7176.900000112.4K24 W115 K117 Q121 D123K24-A119 HydrophobicContact CG-CB 4.42Å; W115-A119 WeakPolarHBondContact O-CB 3.44Å; W115-A119 PolarHBondContact O-N 3.37Å; K117-A119 PolarHBondContact O-N 3.34Å; A119-Q121 VanDerWaalsContact C-N 3.29Å; A119-Q121 PolarHBondContact O-N 3.48Å; A119-D123 WeakPolarHBondContact O-CB 3.5Å; A119-D123 PolarHBondContact O-N 3.5Å
120N98.2Very high97.9Very high64 Ų6463.8 Ų63.834%0.34231%0.307SS..Hα-helixtrans-72.6-19.8175.7-77.2-51.9000113.3K24 K116 K117 V118 K124K24-N120 VanDerWaalsContact CE-OD1 3.29Å; K24-N120 WeakPolarHBondContact CE-OD1 3.24Å; K24-N120 PolarHBondContact NZ-OD1 3.04Å; K116-N120 WeakPolarHBondContact O-CB 3.33Å; K116-N120 PolarHBondContact O-N 3.27Å; K116-N120 PolarHBondContact O-ND2 2.95Å; K117-N120 PolarHBondContact O-N 3.37Å; V118-N120 VanDerWaalsContact C-N 3.31Å; V118-N120 PolarHBondContact O-N 3.46Å; N120-K124 WeakPolarHBondContact O-CD 3.43Å; N120-K124 WeakPolarHBondContact O-CE 3.25Å; N120-K124 WeakPolarHBondContact O-CG 3.43Å
121Q98.5Very high97.9Very high89 Ų8963 Ų6342%0.41630%0.301SS..Hα-helixtrans-83.2-43.9174.6-172.755.135.200111.8K117 V118 A119 D123 K124 D125K117-Q121 PolarHBondContact O-N 3.22Å; V118-Q121 PolarHBondContact O-N 3.37Å; A119-Q121 VanDerWaalsContact C-N 3.29Å; A119-Q121 PolarHBondContact O-N 3.48Å; Q121-D123 VanDerWaalsContact C-N 3.3Å; Q121-D123 PolarHBondContact O-N 2.95Å; Q121-K124 PolarHBondContact O-N 3.26Å; Q121-D125 VanDerWaalsContact NE2-CG 3.32Å; Q121-D125 PolarHBondContact NE2-OD1 3.37Å; Q121-D125 PolarHBondContact NE2-OD2 3.02Å; Q121-D125 PolarHBondContact O-N 3.1Å
122L98.4Very high97.9Very high33 Ų3365.8 Ų65.817%0.17331%0.313CS..Hα-helixtrans-55-45.6174.2-73.1172.5000112I20 V118 D125 H126 K190 E194I20-L122 HydrophobicContact CD1-CB 4.01Å; V118-L122 HydrophobicContact CG1-CD1 4.21Å; V118-L122 HydrophobicContact CG1-CG 4.43Å; V118-L122 PolarHBondContact O-N 3.22Å; L122-D125 PolarHBondContact O-N 2.93Å; L122-H126 WeakPolarHBondContact O-CB 3.32Å; L122-H126 PolarHBondContact O-N 2.76Å; L122-K190 HydrophobicContact CD2-CB 4.1Å; L122-K190 HydrophobicContact CD2-CD 4.41Å; L122-E194 HydrophobicContact CD1-CB 3.84Å; L122-E194 HydrophobicContact CD1-CG 3.84Å
123D98.3Very high97.8Very high36 Ų3666.7 Ų66.719%0.19332%0.32CS..Hα-helixtrans-61.7-44.5177.8-171.226.3000112.5Q17 I20 K24 A119 Q121 A127Q17-D123 PolarHBondContact NE2-OD1 3.06Å; I20-D123 HydrophobicContact CD1-CB 4.42Å; I20-D123 HydrophobicContact CG2-CB 4.01Å; K24-D123 IonicContact NZ-OD2 3.66Å; K24-D123 PolarHBondContact NZ-OD2 3.2Å; A119-D123 WeakPolarHBondContact O-CB 3.5Å; A119-D123 PolarHBondContact O-N 3.5Å; Q121-D123 VanDerWaalsContact C-N 3.3Å; Q121-D123 PolarHBondContact O-N 2.95Å; D123-A127 WeakPolarHBondContact O-CB 3.41Å; D123-A127 PolarHBondContact O-N 3.41Å
124K98.4Very high97.8Very high129 Ų12965.4 Ų65.456%0.56131%0.311SS*.Hα-helixtrans-63.1-43.7175.1-72.6166.2-166.2167.60112.4N120 Q121 K128N120-K124 WeakPolarHBondContact O-CD 3.43Å; N120-K124 WeakPolarHBondContact O-CE 3.25Å; N120-K124 WeakPolarHBondContact O-CG 3.43Å; Q121-K124 PolarHBondContact O-N 3.26Å; K124-K128 WeakPolarHBondContact O-CB 3.4Å; K124-K128 PolarHBondContact O-N 3.38Å
125D98.3Very high97.8Very high62 Ų6267.3 Ų67.333%0.33232%0.32SS..Hα-helixtrans-72.6-35.2-177.9-78.4-38.5000112.2Q121 L122 K128 E129Q121-D125 VanDerWaalsContact NE2-CG 3.32Å; Q121-D125 PolarHBondContact NE2-OD1 3.37Å; Q121-D125 PolarHBondContact NE2-OD2 3.02Å; Q121-D125 PolarHBondContact O-N 3.1Å; L122-D125 PolarHBondContact O-N 2.93Å; D125-K128 PolarHBondContact O-N 3Å; D125-K128 IonicContact OD1-NZ 2.68Å; D125-E129 WeakPolarHBondContact O-CB 3.45Å; D125-E129 PolarHBondContact O-N 2.85Å
126H98.3Very high97.7Very high22 Ų2269.5 Ų69.510%0.10233%0.33CS..Hα-helixtrans-59.5-55.4168.1173.6-107.1000111.2F16 L122 K128 E129 Y130 E184F16-H126 HydrophobicContact CD1-CB 4.1Å; F16-H126 AromaticContact CD1-CE1 3.71Å; F16-H126 AromaticContact CD1-CG 3.54Å; F16-H126 AromaticContact CD1-ND1 3.37Å; F16-H126 WeakPolarHBondContact CD1-ND1 3.35Å; F16-H126 HydrophobicContact CE1-CB 3.32Å; F16-H126 AromaticContact CE1-CG 3.28Å; F16-H126 AromaticContact CE1-ND1 3.34Å; F16-H126 VanDerWaalsContact CE1-ND1 3.34Å; F16-H126 WeakPolarHBondContact CE1-ND1 3.43Å; F16-H126 HydrophobicContact CE2-CB 4.25Å; F16-H126 HydrophobicContact CZ-CB 3.41Å; F16-H126 VanDerWaalsContact CZ-CB 3.41Å; F16-H126 AromaticContact CZ-CG 3.81Å; L122-H126 WeakPolarHBondContact O-CB 3.32Å; L122-H126 PolarHBondContact O-N 2.76Å; H126-K128 PolarHBondContact O-N 3.31Å; H126-K128 VanDerWaalsContact O-N 3.16Å; H126-E129 PolarHBondContact O-N 3.28Å; H126-Y130 VanDerWaalsContact O-CB 3.23Å; H126-Y130 WeakPolarHBondContact O-CB 3.48Å; H126-Y130 PolarHBondContact O-N 3.49Å; H126-E184 IonicContact CD2-OE1 2.61Å; H126-E184 PolarHBondContact CD2-OE1 2.76Å; H126-E184 IonicContact CD2-OE2 2.66Å; H126-E184 IonicContact CE1-OE2 2.65Å; H126-E184 VanDerWaalsContact NE2-CD 3.26Å; H126-E184 IonicContact NE2-OE1 3.48Å; H126-E184 PolarHBondContact NE2-OE1 3.22Å; H126-E184 IonicContact NE2-OE2 2.67Å; H126-E184 PolarHBondContact NE2-OE2 2.85Å
127A98Very high97.6Very high53 Ų5367.8 Ų67.844%0.43832%0.323SS..Hα-helixtrans-58.2-33.8-179.400000112.9D123 K131D123-A127 WeakPolarHBondContact O-CB 3.41Å; D123-A127 PolarHBondContact O-N 3.41Å; A127-K131 WeakPolarHBondContact O-CB 3.48Å; A127-K131 PolarHBondContact O-N 3.49Å
128K98Very high97.6Very high127 Ų12769.9 Ų69.955%0.55233%0.332SS*.Hα-helixtrans-69.9-52.6176173.9-177.9165-165.50112.4K124 D125 H126 K131 K132K124-K128 WeakPolarHBondContact O-CB 3.4Å; K124-K128 PolarHBondContact O-N 3.38Å; D125-K128 PolarHBondContact O-N 3Å; D125-K128 IonicContact OD1-NZ 2.68Å; H126-K128 PolarHBondContact O-N 3.31Å; H126-K128 VanDerWaalsContact O-N 3.16Å; K128-K131 PolarHBondContact O-N 2.9Å; K128-K132 WeakPolarHBondContact O-CB 3.44Å; K128-K132 PolarHBondContact O-N 3.11Å; K128-K132 VanDerWaalsContact O-N 3.12Å
129E96.8Very high97.6Very high68 Ų6873.4 Ų73.432%0.31834%0.344SS..Hα-helixtrans-73.6-36.6-177-69.3-65.2125.900112.2D125 H126 K131 K132 A133 T183D125-E129 WeakPolarHBondContact O-CB 3.45Å; D125-E129 PolarHBondContact O-N 2.85Å; H126-E129 PolarHBondContact O-N 3.28Å; E129-K131 PolarHBondContact O-N 3.12Å; E129-K132 WeakPolarHBondContact O-CB 3.48Å; E129-K132 PolarHBondContact O-N 2.91Å; E129-K132 VanDerWaalsContact OE1-CD 3.3Å; E129-K132 WeakPolarHBondContact OE1-CD 3.48Å; E129-K132 IonicContact OE1-NZ 3.3Å; E129-K132 PolarHBondContact OE1-NZ 3.37Å; E129-K132 WeakPolarHBondContact OE2-CD 3.47Å; E129-K132 WeakPolarHBondContact OE2-CE 3.25Å; E129-K132 IonicContact OE2-NZ 3.14Å; E129-K132 PolarHBondContact OE2-NZ 3.02Å; E129-A133 WeakPolarHBondContact O-CB 3.4Å; E129-A133 PolarHBondContact O-N 3.07Å; E129-T183 HydrophobicContact CB-CG2 4.38Å
130Y96.4Very high97.5Very high65 Ų6576 Ų7626%0.25536%0.355SS..Hα-helixtrans-56.4-48.8170.8-177.2-92.4000111.8H126 K132 A133 R134 L180 E184H126-Y130 VanDerWaalsContact O-CB 3.23Å; H126-Y130 WeakPolarHBondContact O-CB 3.48Å; H126-Y130 PolarHBondContact O-N 3.49Å; Y130-K132 VanDerWaalsContact C-N 3.33Å; Y130-K132 PolarHBondContact O-N 3.43Å; Y130-A133 PolarHBondContact O-N 3.02Å; Y130-R134 HydrophobicContact CD1-CG 4.07Å; Y130-R134 HydrophobicContact CE1-CG 3.61Å; Y130-R134 HydrophobicContact CE2-CG 4.46Å; Y130-R134 WeakPolarHBondContact O-CB 3.31Å; Y130-R134 WeakPolarHBondContact O-CG 3.29Å; Y130-R134 PolarHBondContact O-N 2.78Å; Y130-R134 PolarHBondContact OH-NE 3.45Å; Y130-R134 PolarHBondContact OH-NH2 2.97Å; Y130-L180 HydrophobicContact CD2-CD1 3.81Å; Y130-L180 HydrophobicContact CE2-CD1 3.97Å; Y130-E184 HydrophobicContact CD2-CG 4.37Å; Y130-E184 WeakPolarHBondContact CD2-OE1 3.25Å
131K97.4Very high97.4Very high136 Ų13674.8 Ų74.859%0.59135%0.352SS*.Hα-helixtrans-62.3-39.8179.5-175174.1-175.6175.50112A127 K128 E129 Q135A127-K131 WeakPolarHBondContact O-CB 3.48Å; A127-K131 PolarHBondContact O-N 3.49Å; K128-K131 PolarHBondContact O-N 2.9Å; E129-K131 PolarHBondContact O-N 3.12Å; K131-Q135 WeakPolarHBondContact O-CB 3.39Å; K131-Q135 VanDerWaalsContact O-CG 3.22Å; K131-Q135 WeakPolarHBondContact O-CG 3.44Å; K131-Q135 PolarHBondContact O-N 3.29Å
132K97.3Very high97.3Very high109 Ų10973.2 Ų73.247%0.47435%0.351SS..Hα-helixtrans-66.6-45.9175.6173.7-172.1170.4-159.80112K128 E129 Y130 Q135 E136K128-K132 WeakPolarHBondContact O-CB 3.44Å; K128-K132 PolarHBondContact O-N 3.11Å; K128-K132 VanDerWaalsContact O-N 3.12Å; E129-K132 WeakPolarHBondContact O-CB 3.48Å; E129-K132 PolarHBondContact O-N 2.91Å; E129-K132 VanDerWaalsContact OE1-CD 3.3Å; E129-K132 WeakPolarHBondContact OE1-CD 3.48Å; E129-K132 IonicContact OE1-NZ 3.3Å; E129-K132 PolarHBondContact OE1-NZ 3.37Å; E129-K132 WeakPolarHBondContact OE2-CD 3.47Å; E129-K132 WeakPolarHBondContact OE2-CE 3.25Å; E129-K132 IonicContact OE2-NZ 3.14Å; E129-K132 PolarHBondContact OE2-NZ 3.02Å; Y130-K132 VanDerWaalsContact C-N 3.33Å; Y130-K132 PolarHBondContact O-N 3.43Å; K132-Q135 PolarHBondContact O-N 2.78Å; K132-E136 PolarHBondContact O-N 3.22Å
133A96.3Very high97.2Very high19 Ų1975.1 Ų75.116%0.15736%0.361CS..Hα-helixtrans-62.4-46.9175.700000111.8E129 Y130 Q135 E136 I137 L180E129-A133 WeakPolarHBondContact O-CB 3.4Å; E129-A133 PolarHBondContact O-N 3.07Å; Y130-A133 PolarHBondContact O-N 3.02Å; A133-Q135 VanDerWaalsContact C-N 3.32Å; A133-Q135 PolarHBondContact O-N 2.87Å; A133-E136 PolarHBondContact O-N 2.71Å; A133-I137 WeakPolarHBondContact O-CG1 3.46Å; A133-I137 PolarHBondContact O-N 2.96Å; A133-L180 HydrophobicContact CB-CB 4.39Å; A133-L180 HydrophobicContact CB-CD1 3.75Å
134R95.8Very high97Very high68 Ų6874 Ų7426%0.25736%0.356SS..Hα-helixtrans-59.7-36.9173.2-77.1-62.8-153.9163.66.5113.2E6 Y130 K138E6-R134 IonicContact OE1-CZ 3.17Å; E6-R134 IonicContact OE1-NH1 2.68Å; E6-R134 PolarHBondContact OE1-NH1 2.87Å; E6-R134 IonicContact OE1-NH2 2.74Å; E6-R134 PolarHBondContact OE1-NH2 3.15Å; Y130-R134 HydrophobicContact CD1-CG 4.07Å; Y130-R134 HydrophobicContact CE1-CG 3.61Å; Y130-R134 HydrophobicContact CE2-CG 4.46Å; Y130-R134 WeakPolarHBondContact O-CB 3.31Å; Y130-R134 WeakPolarHBondContact O-CG 3.29Å; Y130-R134 PolarHBondContact O-N 2.78Å; Y130-R134 PolarHBondContact OH-NE 3.45Å; Y130-R134 PolarHBondContact OH-NH2 2.97Å; R134-K138 WeakPolarHBondContact O-CB 3.32Å; R134-K138 PolarHBondContact O-N 3.03Å
135Q97.4Very high96.9Very high119 Ų11971.9 Ų71.956%0.55635%0.35SS*.Hα-helixtrans-67-41.6174.5-79.4175-1.700112.5K131 K132 A133 K138 K139K131-Q135 WeakPolarHBondContact O-CB 3.39Å; K131-Q135 VanDerWaalsContact O-CG 3.22Å; K131-Q135 WeakPolarHBondContact O-CG 3.44Å; K131-Q135 PolarHBondContact O-N 3.29Å; K132-Q135 PolarHBondContact O-N 2.78Å; A133-Q135 VanDerWaalsContact C-N 3.32Å; A133-Q135 PolarHBondContact O-N 2.87Å; Q135-K138 PolarHBondContact O-N 3.3Å; Q135-K139 WeakPolarHBondContact O-CB 3.24Å; Q135-K139 PolarHBondContact O-N 3.42Å
136E97.1Very high96.7Very high55 Ų5574.2 Ų74.226%0.25736%0.357SS..Hα-helixtrans-66.4-41176.3-85.3-80114.400112.6K132 A133 K139 K140 K176K132-E136 PolarHBondContact O-N 3.22Å; A133-E136 PolarHBondContact O-N 2.71Å; E136-K139 PolarHBondContact O-N 3Å; E136-K139 WeakPolarHBondContact OE1-CD 3.44Å; E136-K139 IonicContact OE1-NZ 2.72Å; E136-K139 PolarHBondContact OE1-NZ 3.29Å; E136-K140 PolarHBondContact O-N 3.49Å; E136-K176 HydrophobicContact CB-CD 4.32Å; E136-K176 IonicContact OE2-NZ 3.26Å; E136-K176 PolarHBondContact OE2-NZ 3.49Å
137I96.5Very high96.4Very high6 Ų674.2 Ų74.23%0.03136%0.358CS..Hα-helixtrans-58.1-50.5170.7-67.7164.4000110.1A133 K139 K140 S141 K176 Y177 L180A133-I137 WeakPolarHBondContact O-CG1 3.46Å; A133-I137 PolarHBondContact O-N 2.96Å; I137-K139 VanDerWaalsContact C-N 3.27Å; I137-K139 PolarHBondContact O-N 2.92Å; I137-K140 PolarHBondContact O-N 2.83Å; I137-S141 WeakPolarHBondContact O-CB 3.12Å; I137-S141 PolarHBondContact O-N 3.02Å; I137-S141 PolarHBondContact O-OG 3.35Å; I137-K176 HydrophobicContact CG1-CB 3.7Å; I137-Y177 HydrophobicContact CD1-CD1 3.99Å; I137-Y177 HydrophobicContact CD1-CE1 4.2Å; I137-Y177 HydrophobicContact CD1-CG 4.41Å; I137-Y177 HydrophobicContact CG2-CD2 4.43Å; I137-Y177 HydrophobicContact CG2-CE1 4.03Å; I137-Y177 HydrophobicContact CG2-CE2 3.88Å; I137-L180 HydrophobicContact CD1-CB 3.93Å; I137-L180 HydrophobicContact CD1-CD2 3.67Å; I137-L180 HydrophobicContact CD1-CG 4.41Å
138K97.4Very high96.1Very high163 Ų16375.1 Ų75.171%0.70935%0.353SS*.Hα-helixtrans-59.5-37.3-179.8-177.4175.6-179.2175.90112.5R134 Q135 S142R134-K138 WeakPolarHBondContact O-CB 3.32Å; R134-K138 PolarHBondContact O-N 3.03Å; Q135-K138 PolarHBondContact O-N 3.3Å; K138-S142 VanDerWaalsContact O-CB 3.26Å; K138-S142 WeakPolarHBondContact O-CB 3.33Å; K138-S142 PolarHBondContact O-N 2.86Å; K138-S142 VanDerWaalsContact O-N 3.09Å
139K97.8Very high95.8Very high118 Ų11875.4 Ų75.451%0.51335%0.354SS..Hα-helixtrans-66.7-55.1176.1175.3178158.7-158.80111.3Q135 E136 I137 S141 S142 D143Q135-K139 WeakPolarHBondContact O-CB 3.24Å; Q135-K139 PolarHBondContact O-N 3.42Å; E136-K139 PolarHBondContact O-N 3Å; E136-K139 WeakPolarHBondContact OE1-CD 3.44Å; E136-K139 IonicContact OE1-NZ 2.72Å; E136-K139 PolarHBondContact OE1-NZ 3.29Å; I137-K139 VanDerWaalsContact C-N 3.27Å; I137-K139 PolarHBondContact O-N 2.92Å; K139-S141 PolarHBondContact O-N 2.78Å; K139-S142 WeakPolarHBondContact O-CB 3.47Å; K139-S142 PolarHBondContact O-N 3.18Å; K139-D143 PolarHBondContact O-N 3.31Å
140K96.8Very high95.4Very high54 Ų5478.4 Ų78.424%0.23537%0.366CS..Hα-helixtrans-56.8-48.7176.7-73.6-70.3-155.3171.30111.7E136 I137 S142 D143 T144 D172 V173 K176E136-K140 PolarHBondContact O-N 3.49Å; I137-K140 PolarHBondContact O-N 2.83Å; K140-S142 VanDerWaalsContact C-N 3.29Å; K140-S142 PolarHBondContact O-N 3.42Å; K140-D143 PolarHBondContact O-N 3.44Å; K140-T144 PolarHBondContact O-N 2.86Å; K140-T144 PolarHBondContact O-OG1 3.25Å; K140-D172 HydrophobicContact CD-CB 4.22Å; K140-D172 WeakPolarHBondContact CE-OD1 3.05Å; K140-D172 IonicContact NZ-OD1 2.86Å; K140-D172 PolarHBondContact NZ-OD1 3.47Å; K140-D172 IonicContact NZ-OD2 2.7Å; K140-D172 PolarHBondContact NZ-OD2 2.85Å; K140-V173 HydrophobicContact CB-CG2 3.81Å; K140-K176 HydrophobicContact CG-CG 4.23Å
141S96.1Very high94.9Very high40 Ų4075.4 Ų75.428%0.2836%0.355SS..Hα-helixtrans-59.2-37.8178.6-52.40000112.8I137 K139 L145I137-S141 WeakPolarHBondContact O-CB 3.12Å; I137-S141 PolarHBondContact O-N 3.02Å; I137-S141 PolarHBondContact O-OG 3.35Å; K139-S141 PolarHBondContact O-N 2.78Å; S141-L145 VanDerWaalsContact O-CB 3.31Å; S141-L145 WeakPolarHBondContact O-CB 3.38Å; S141-L145 PolarHBondContact O-N 2.7Å
142S97Very high94.3Very high55 Ų5575.5 Ų75.539%0.38536%0.356SS..Hα-helixtrans-64.7-42.7174.6-178.60000112.1K138 K139 K140 L145 K146K138-S142 VanDerWaalsContact O-CB 3.26Å; K138-S142 WeakPolarHBondContact O-CB 3.33Å; K138-S142 PolarHBondContact O-N 2.86Å; K138-S142 VanDerWaalsContact O-N 3.09Å; K139-S142 WeakPolarHBondContact O-CB 3.47Å; K139-S142 PolarHBondContact O-N 3.18Å; K140-S142 VanDerWaalsContact C-N 3.29Å; K140-S142 PolarHBondContact O-N 3.42Å; S142-L145 PolarHBondContact O-N 2.91Å; S142-K146 VanDerWaalsContact O-CG 3.3Å; S142-K146 WeakPolarHBondContact O-CG 3.48Å; S142-K146 PolarHBondContact O-N 3.05Å; S142-K146 WeakPolarHBondContact OG-CE 3.36Å
143D95.4Very high93.6Very high74 Ų7477.5 Ų77.540%0.39636%0.364SS..Hα-helixtrans-71.8-39.5178.8-67.9-35.5000112.2K139 K140 L145 K146 L147K139-D143 PolarHBondContact O-N 3.31Å; K140-D143 PolarHBondContact O-N 3.44Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 2.79Å; D143-K146 WeakPolarHBondContact O-CB 3.48Å; D143-K146 PolarHBondContact O-N 3.15Å; D143-K146 VanDerWaalsContact O-N 3.17Å; D143-K146 WeakPolarHBondContact OD1-CE 3.43Å; D143-K146 IonicContact OD1-NZ 2.65Å; D143-K146 PolarHBondContact OD1-NZ 3.41Å; D143-L147 PolarHBondContact O-N 2.8Å
144T95Very high92.6Very high12 Ų1278.2 Ų78.27%0.07437%0.366CS..Hα-helixtrans-61.1-40.6171.6-51.70000111.5K140 K146 L147 Q148 L166 A169 L170K140-T144 PolarHBondContact O-N 2.86Å; K140-T144 PolarHBondContact O-OG1 3.25Å; T144-K146 PolarHBondContact O-N 2.86Å; T144-L147 PolarHBondContact O-N 2.95Å; T144-Q148 WeakPolarHBondContact O-CB 3.31Å; T144-Q148 PolarHBondContact O-N 3.07Å; T144-L166 HydrophobicContact CG2-CD1 4.1Å; T144-A169 HydrophobicContact CG2-CB 3.91Å; T144-A169 PolarHBondContact OG1-O 3.26Å; T144-L170 HydrophobicContact CG2-CD2 3.75Å; T144-L170 HydrophobicContact CG2-CG 3.88Å
145L95.4Very high91.2Very high85 Ų8579.2 Ų79.245%0.44538%0.377SS..Hα-helixtrans-66-35.3174.1-177.963.4000112.8S141 S142 D143 L147 K149S141-L145 VanDerWaalsContact O-CB 3.31Å; S141-L145 WeakPolarHBondContact O-CB 3.38Å; S141-L145 PolarHBondContact O-N 2.7Å; S142-L145 PolarHBondContact O-N 2.91Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-L145 PolarHBondContact O-N 2.79Å; L145-L147 VanDerWaalsContact C-N 3.35Å; L145-K149 VanDerWaalsContact O-CG 3.31Å; L145-K149 WeakPolarHBondContact O-CG 3.44Å; L145-K149 PolarHBondContact O-N 3.21Å; L145-K149 VanDerWaalsContact O-N 3.16Å
146K94.3Very high89.6Confident110 Ų11079 Ų7948%0.47838%0.384SS..Hα-helixtrans-65.5-39.8171.6-66.7163.8-154.5166.60110.9S142 D143 T144 K149 K150S142-K146 VanDerWaalsContact O-CG 3.3Å; S142-K146 WeakPolarHBondContact O-CG 3.48Å; S142-K146 PolarHBondContact O-N 3.05Å; S142-K146 WeakPolarHBondContact OG-CE 3.36Å; D143-K146 WeakPolarHBondContact O-CB 3.48Å; D143-K146 PolarHBondContact O-N 3.15Å; D143-K146 VanDerWaalsContact O-N 3.17Å; D143-K146 WeakPolarHBondContact OD1-CE 3.43Å; D143-K146 IonicContact OD1-NZ 2.65Å; D143-K146 PolarHBondContact OD1-NZ 3.41Å; T144-K146 PolarHBondContact O-N 2.86Å; K146-K149 PolarHBondContact O-N 3.45Å; K146-K150 PolarHBondContact O-N 3.1Å
147L92.2Very high88Confident23 Ų2383 Ų8312%0.1241%0.406CS..Hα-helixtrans-69.9-41.9179.5-170.857000111.9D143 T144 L145 K149 K150 A151 I162 Q165 L166 A169D143-L147 PolarHBondContact O-N 2.8Å; T144-L147 PolarHBondContact O-N 2.95Å; L145-L147 VanDerWaalsContact C-N 3.35Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 PolarHBondContact O-N 3.34Å; L147-K150 HydrophobicContact CD1-CD 4.49Å; L147-K150 CarbonylContact O-C 3.54Å; L147-K150 WeakPolarHBondContact O-CA 3.37Å; L147-K150 WeakPolarHBondContact O-CB 3.44Å; L147-K150 PolarHBondContact O-N 3.31Å; L147-A151 PolarHBondContact O-N 3.47Å; L147-I162 HydrophobicContact CD1-CG2 3.99Å; L147-Q165 HydrophobicContact CD2-CB 4.12Å; L147-Q165 HydrophobicContact CD2-CG 3.84Å; L147-Q165 WeakPolarHBondContact CD2-O 3.49Å; L147-L166 HydrophobicContact CD2-CB 4.49Å; L147-L166 HydrophobicContact CG-CB 4.48Å; L147-A169 HydrophobicContact CD2-CB 3.85Å
148Q91.2Very high86.2Confident71 Ų7186.2 Ų86.233%0.33244%0.441SS..Hα-helixtrans-60.1-35.6173-164.1-170.668.700112T144 K150 K152 L166T144-Q148 WeakPolarHBondContact O-CB 3.31Å; T144-Q148 PolarHBondContact O-N 3.07Å; Q148-K150 VanDerWaalsContact C-N 3.28Å; Q148-K150 PolarHBondContact O-N 2.89Å; Q148-K152 WeakPolarHBondContact O-CG 3.33Å; Q148-K152 PolarHBondContact O-N 2.9Å; Q148-L166 HydrophobicContact CB-CD1 3.85Å; Q148-L166 HydrophobicContact CB-CD2 4.38Å; Q148-L166 HydrophobicContact CG-CD1 4.35Å; Q148-L166 HydrophobicContact CG-CD2 4.14Å
149K91.4Very high84.4Confident134 Ų13486.7 Ų86.758%0.58344%0.438SS*.Hα-helixtrans-72.1-16.2172.3-73.4174.4-179.5-179.50114L145 K146 L147L145-K149 VanDerWaalsContact O-CG 3.31Å; L145-K149 WeakPolarHBondContact O-CG 3.44Å; L145-K149 PolarHBondContact O-N 3.21Å; L145-K149 VanDerWaalsContact O-N 3.16Å; K146-K149 PolarHBondContact O-N 3.45Å; L147-K149 VanDerWaalsContact C-N 3.26Å; L147-K149 PolarHBondContact O-N 3.34Å
150K88.9Confident82.8Confident131 Ų13183.8 Ų83.857%0.5744%0.442SS*.Hα-helixtrans-86.1-46.6169.4-71.1178.9176.6-176.30111.2K146 L147 Q148 K152 K153 V154 I162K146-K150 PolarHBondContact O-N 3.1Å; L147-K150 HydrophobicContact CD1-CD 4.49Å; L147-K150 CarbonylContact O-C 3.54Å; L147-K150 WeakPolarHBondContact O-CA 3.37Å; L147-K150 WeakPolarHBondContact O-CB 3.44Å; L147-K150 PolarHBondContact O-N 3.31Å; Q148-K150 VanDerWaalsContact C-N 3.28Å; Q148-K150 PolarHBondContact O-N 2.89Å; K150-K152 PolarHBondContact O-N 3.35Å; K150-K153 WeakPolarHBondContact O-CB 3.35Å; K150-K153 PolarHBondContact O-N 3.29Å; K150-V154 PolarHBondContact O-N 3.4Å; K150-I162 HydrophobicContact CB-CD1 4.48Å
151A86.3Confident81.7Confident2 Ų287.3 Ų87.32%0.01746%0.463CS..Hα-helixtrans-48.6-57.2176.700000111L147 K153 V154 D155 I162 L166L147-A151 PolarHBondContact O-N 3.47Å; A151-K153 PolarHBondContact O-N 3.42Å; A151-V154 WeakPolarHBondContact O-CA 3.4Å; A151-V154 PolarHBondContact O-N 3.17Å; A151-D155 PolarHBondContact O-N 2.86Å; A151-I162 HydrophobicContact CB-CG2 3.79Å; A151-L166 HydrophobicContact CB-CD2 4.07Å
152K84.6Confident81.1Confident138 Ų13887 Ų8760%0.646%0.458SS*.Hα-helixtrans-58.7-9.9178.8-68.1-178.9176.5-177.40116.3Q148 K150 D155Q148-K152 WeakPolarHBondContact O-CG 3.33Å; Q148-K152 PolarHBondContact O-N 2.9Å; K150-K152 PolarHBondContact O-N 3.35Å; K152-D155 WeakPolarHBondContact CA-OD2 3.44Å; K152-D155 PolarHBondContact N-OD2 3.15Å
153K82.8Confident80.6Confident151 Ų15188.1 Ų88.166%0.65746%0.457SS*.Hα-helixtrans-100.9-18.8172.5-69.6-174.3172.7-165.70113.4K150 A151 T156K150-K153 WeakPolarHBondContact O-CB 3.35Å; K150-K153 PolarHBondContact O-N 3.29Å; A151-K153 PolarHBondContact O-N 3.42Å; K153-T156 VanDerWaalsContact C-OG1 3.23Å; K153-T156 PolarHBondContact O-OG1 2.93Å
154V75.8Confident80.3Confident33 Ų3388.7 Ų88.720%0.247%0.465CS..Hα-helixtrans-101.8-25.4-177.1176.60000111.1K150 A151 T156 L157 G158 R159 I162K150-V154 PolarHBondContact O-N 3.4Å; A151-V154 WeakPolarHBondContact O-CA 3.4Å; A151-V154 PolarHBondContact O-N 3.17Å; V154-T156 VanDerWaalsContact C-N 3.27Å; V154-T156 PolarHBondContact O-N 2.67Å; V154-L157 CarbonylContact O-C 3.3Å; V154-L157 VanDerWaalsContact O-C 3.3Å; V154-L157 WeakPolarHBondContact O-CA 3.39Å; V154-L157 PolarHBondContact O-N 3.22Å; V154-G158 PolarHBondContact O-N 3.29Å; V154-R159 HydrophobicContact CG1-CB 3.74Å; V154-I162 HydrophobicContact CB-CD1 3.94Å; V154-I162 HydrophobicContact CG1-CD1 4.05Å; V154-I162 HydrophobicContact CG2-CD1 3.72Å
155D65.4Low80.1Confident89 Ų8993.8 Ų93.848%0.47649%0.488SS..G310 helixtrans-57-43.1166.3-55.9-34.9000110.6A151 K152 L157 G158A151-D155 PolarHBondContact O-N 2.86Å; K152-D155 WeakPolarHBondContact CA-OD2 3.44Å; K152-D155 PolarHBondContact N-OD2 3.15Å; D155-L157 PolarHBondContact O-N 2.9Å; D155-G158 PolarHBondContact O-N 3.21Å
156T64.4Low79.8Confident115 Ų11590.2 Ų90.271%0.70647%0.469SS*.G310 helixtrans-65.6-1.5171.541.30000114.8K153 V154K153-T156 VanDerWaalsContact C-OG1 3.23Å; K153-T156 PolarHBondContact O-OG1 2.93Å; V154-T156 VanDerWaalsContact C-N 3.27Å; V154-T156 PolarHBondContact O-N 2.67Å
157L64.2Low79.7Confident140 Ų14088.8 Ų88.873%0.73347%0.467SS*.G310 helixtrans-127.58.5177.8-74.2166.1000112.8V154 D155 R159V154-L157 CarbonylContact O-C 3.3Å; V154-L157 VanDerWaalsContact O-C 3.3Å; V154-L157 WeakPolarHBondContact O-CA 3.39Å; V154-L157 PolarHBondContact O-N 3.22Å; D155-L157 PolarHBondContact O-N 2.9Å; L157-R159 PolarHBondContact O-N 3.42Å
158G57.2Low79.8Confident73 Ų7391.2 Ų91.275%0.75349%0.486SS*.THydrogen-bonded Turntrans70.922.2167.600000117.4V154 D155V154-G158 PolarHBondContact O-N 3.29Å; D155-G158 PolarHBondContact O-N 3.21Å
159R59.3Low80Confident172 Ų17288.4 Ų88.465%0.64948%0.475SS*.  trans-105.5112.8172.7-71.4-172.5-178.9-87.4-0.6112.2V154 L157 D161V154-R159 HydrophobicContact CG1-CB 3.74Å; L157-R159 PolarHBondContact O-N 3.42Å; R159-D161 VanDerWaalsContact C-N 3.29Å; R159-D161 PolarHBondContact O-N 3Å
160G65.2Low80.2Confident58 Ų5885.5 Ų85.560%0.59847%0.465SS*.G310 helixtrans-72.6-10.2-178.800000116.3I162 Q163 P164G160-I162 PolarHBondContact O-N 2.96Å; G160-Q163 PolarHBondContact O-N 3.04Å; G160-P164 WeakPolarHBondContact O-CD 3.25Å
161D74.5Confident80.5Confident127 Ų12784.2 Ų84.268%0.67946%0.461SS*.G310 helixtrans-61.8-19.9-168.7-58.1-58.4000115.3R159R159-D161 VanDerWaalsContact C-N 3.29Å; R159-D161 PolarHBondContact O-N 3Å
162I83.1Confident80.9Confident33 Ų3386.9 Ų86.917%0.16948%0.475CS..G310 helixtrans-83.8-27.3-178.2-65.3-174000112.6L147 K150 A151 V154 G160 Q165 L166L147-I162 HydrophobicContact CD1-CG2 3.99Å; K150-I162 HydrophobicContact CB-CD1 4.48Å; A151-I162 HydrophobicContact CB-CG2 3.79Å; V154-I162 HydrophobicContact CB-CD1 3.94Å; V154-I162 HydrophobicContact CG1-CD1 4.05Å; V154-I162 HydrophobicContact CG2-CD1 3.72Å; G160-I162 PolarHBondContact O-N 2.96Å; I162-Q165 WeakPolarHBondContact O-CB 3.37Å; I162-Q165 PolarHBondContact O-N 3.5Å; I162-Q165 VanDerWaalsContact O-N 3.07Å; I162-L166 PolarHBondContact O-N 3.06Å
163Q85.6Confident81.5Confident79 Ų7980.5 Ų80.537%0.36945%0.448SS..Hα-helixtrans-61-47.7-174.1-17657.739.400112.7G160 Q165 L166 D167G160-Q163 PolarHBondContact O-N 3.04Å; Q163-Q165 PolarHBondContact O-N 2.85Å; Q163-Q165 VanDerWaalsContact O-N 3.16Å; Q163-L166 WeakPolarHBondContact O-CB 3.27Å; Q163-L166 PolarHBondContact O-N 3.25Å; Q163-D167 PolarHBondContact NE2-OD1 3.32Å; Q163-D167 PolarHBondContact NE2-OD2 3.19Å; Q163-D167 PolarHBondContact O-N 2.99Å; Q163-D167 VanDerWaalsContact O-OD2 3.1Å
164P89.6Confident82.1Confident86 Ų8674.2 Ų74.256%0.55842%0.422SS*.Hα-helixtrans-61.4-27.7175.7-22.334.3000113.6G160 S168G160-P164 WeakPolarHBondContact O-CD 3.25Å; P164-S168 VanDerWaalsContact O-CB 3.31Å; P164-S168 WeakPolarHBondContact O-CB 3.26Å; P164-S168 PolarHBondContact O-N 2.65Å; P164-S168 VanDerWaalsContact O-N 3.09Å
165Q89.8Confident83.1Confident119 Ų11976.4 Ų76.456%0.55643%0.432SS*.Hα-helixtrans-74.2-36.2175.5-158.1-177.938.100111.4L147 I162 Q163 A169L147-Q165 HydrophobicContact CD2-CB 4.12Å; L147-Q165 HydrophobicContact CD2-CG 3.84Å; L147-Q165 WeakPolarHBondContact CD2-O 3.49Å; I162-Q165 WeakPolarHBondContact O-CB 3.37Å; I162-Q165 PolarHBondContact O-N 3.5Å; I162-Q165 VanDerWaalsContact O-N 3.07Å; Q163-Q165 PolarHBondContact O-N 2.85Å; Q163-Q165 VanDerWaalsContact O-N 3.16Å; Q165-A169 VanDerWaalsContact O-CB 3.31Å; Q165-A169 WeakPolarHBondContact O-CB 3.42Å; Q165-A169 PolarHBondContact O-N 2.74Å
166L91Very high84.6Confident11 Ų1174.5 Ų74.56%0.05842%0.42CS..Hα-helixtrans-67.4-43.3174177.759.9000111.5T144 L147 Q148 A151 I162 Q163 A169 L170T144-L166 HydrophobicContact CG2-CD1 4.1Å; L147-L166 HydrophobicContact CD2-CB 4.49Å; L147-L166 HydrophobicContact CG-CB 4.48Å; Q148-L166 HydrophobicContact CB-CD1 3.85Å; Q148-L166 HydrophobicContact CB-CD2 4.38Å; Q148-L166 HydrophobicContact CG-CD1 4.35Å; Q148-L166 HydrophobicContact CG-CD2 4.14Å; A151-L166 HydrophobicContact CB-CD2 4.07Å; I162-L166 PolarHBondContact O-N 3.06Å; Q163-L166 WeakPolarHBondContact O-CB 3.27Å; Q163-L166 PolarHBondContact O-N 3.25Å; L166-A169 CarbonylContact O-C 3.58Å; L166-A169 PolarHBondContact O-N 3.13Å; L166-A169 VanDerWaalsContact O-N 3.15Å; L166-L170 HydrophobicContact CD1-CD1 4.42Å; L166-L170 HydrophobicContact CD1-CG 4.46Å; L166-L170 HydrophobicContact CG-CD1 4.21Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 2.94Å
167D91.4Very high86.1Confident80 Ų8070.1 Ų70.143%0.42839%0.39SS..Hα-helixtrans-63.5-43.4177.8-62.5-38.1000111.2Q163 A169 L170 Q171Q163-D167 PolarHBondContact NE2-OD1 3.32Å; Q163-D167 PolarHBondContact NE2-OD2 3.19Å; Q163-D167 PolarHBondContact O-N 2.99Å; Q163-D167 VanDerWaalsContact O-OD2 3.1Å; D167-A169 VanDerWaalsContact C-N 3.32Å; D167-A169 PolarHBondContact O-N 3.12Å; D167-L170 PolarHBondContact O-N 3.38Å; D167-Q171 PolarHBondContact O-N 3.09Å
168S94.9Very high87.6Confident73 Ų7367.1 Ų67.151%0.5137%0.374SS..Hα-helixtrans-60-39.7171.4-175.60000112.6P164 Q171 D172P164-S168 VanDerWaalsContact O-CB 3.31Å; P164-S168 WeakPolarHBondContact O-CB 3.26Å; P164-S168 PolarHBondContact O-N 2.65Å; P164-S168 VanDerWaalsContact O-N 3.09Å; S168-Q171 PolarHBondContact O-N 3.45Å; S168-D172 WeakPolarHBondContact O-CB 3.42Å; S168-D172 PolarHBondContact O-N 3.16Å
169A95.3Very high89.5Confident13 Ų1368.3 Ų68.311%0.10736%0.363CS..Hα-helixtrans-72.1-25177.500000113.6T144 L147 Q165 L166 D167 V173T144-A169 HydrophobicContact CG2-CB 3.91Å; T144-A169 PolarHBondContact OG1-O 3.26Å; L147-A169 HydrophobicContact CD2-CB 3.85Å; Q165-A169 VanDerWaalsContact O-CB 3.31Å; Q165-A169 WeakPolarHBondContact O-CB 3.42Å; Q165-A169 PolarHBondContact O-N 2.74Å; L166-A169 CarbonylContact O-C 3.58Å; L166-A169 PolarHBondContact O-N 3.13Å; L166-A169 VanDerWaalsContact O-N 3.15Å; D167-A169 VanDerWaalsContact C-N 3.32Å; D167-A169 PolarHBondContact O-N 3.12Å; A169-V173 WeakPolarHBondContact O-CG2 3.43Å
170L94.4Very high91.3Very high72 Ų7260.1 Ų60.138%0.37733%0.332SS..Hα-helixtrans-75.3-42.8171.1-72.9163.7000110.8T144 L166 D167 D172 V173 N174T144-L170 HydrophobicContact CG2-CD2 3.75Å; T144-L170 HydrophobicContact CG2-CG 3.88Å; L166-L170 HydrophobicContact CD1-CD1 4.42Å; L166-L170 HydrophobicContact CD1-CG 4.46Å; L166-L170 HydrophobicContact CG-CD1 4.21Å; L166-L170 WeakPolarHBondContact O-CG 3.35Å; L166-L170 PolarHBondContact O-N 2.94Å; D167-L170 PolarHBondContact O-N 3.38Å; L170-D172 VanDerWaalsContact C-N 3.32Å; L170-D172 PolarHBondContact O-N 2.97Å; L170-V173 PolarHBondContact O-N 3.15Å; L170-V173 VanDerWaalsContact O-N 3.11Å; L170-N174 PolarHBondContact O-N 3Å; L170-N174 VanDerWaalsContact O-N 3.09Å
171Q95.5Very high92.7Very high104 Ų10458.4 Ų58.449%0.48631%0.309SS..Hα-helixtrans-59.1-44.5172.6-170.564.945.700111.4D167 S168 V173 N174 D175D167-Q171 PolarHBondContact O-N 3.09Å; S168-Q171 PolarHBondContact O-N 3.45Å; Q171-V173 PolarHBondContact O-N 3.44Å; Q171-V173 VanDerWaalsContact O-N 3.11Å; Q171-N174 PolarHBondContact O-N 3Å; Q171-D175 PolarHBondContact NE2-OD1 3.41Å; Q171-D175 WeakPolarHBondContact O-CB 3.33Å; Q171-D175 PolarHBondContact O-N 3.05Å
172D96.1Very high93.8Very high59 Ų5956.3 Ų56.332%0.31630%0.295SS..Hα-helixtrans-54.4-26.5174.3-114.6-24.6000114.3K140 S168 L170 K176K140-D172 HydrophobicContact CD-CB 4.22Å; K140-D172 WeakPolarHBondContact CE-OD1 3.05Å; K140-D172 IonicContact NZ-OD1 2.86Å; K140-D172 PolarHBondContact NZ-OD1 3.47Å; K140-D172 IonicContact NZ-OD2 2.7Å; K140-D172 PolarHBondContact NZ-OD2 2.85Å; S168-D172 WeakPolarHBondContact O-CB 3.42Å; S168-D172 PolarHBondContact O-N 3.16Å; L170-D172 VanDerWaalsContact C-N 3.32Å; L170-D172 PolarHBondContact O-N 2.97Å; D172-K176 WeakPolarHBondContact O-CG 3.5Å
173V96.4Very high94.5Very high4 Ų456.8 Ų56.82%0.02430%0.299CS..Hα-helixtrans-84.5-45175171.10000110.4E2 K140 A169 L170 Q171 D175 K176 Y177E2-V173 WeakPolarHBondContact OE1-CG1 3.46Å; K140-V173 HydrophobicContact CB-CG2 3.81Å; A169-V173 WeakPolarHBondContact O-CG2 3.43Å; L170-V173 PolarHBondContact O-N 3.15Å; L170-V173 VanDerWaalsContact O-N 3.11Å; Q171-V173 PolarHBondContact O-N 3.44Å; Q171-V173 VanDerWaalsContact O-N 3.11Å; V173-D175 PolarHBondContact O-N 3.07Å; V173-K176 WeakPolarHBondContact O-CB 3.3Å; V173-K176 PolarHBondContact O-N 2.86Å; V173-K176 VanDerWaalsContact O-N 3.11Å; V173-Y177 HydrophobicContact CG1-CD2 3.95Å; V173-Y177 HydrophobicContact CG1-CE2 3.69Å; V173-Y177 WeakPolarHBondContact O-CD2 3.32Å; V173-Y177 PolarHBondContact O-N 3.26Å; V173-Y177 VanDerWaalsContact O-N 3.09Å
174N95.6Very high95.1Very high19 Ų1953 Ų5310%0.10228%0.282CS..Hα-helixtrans-61.8-43.3178.1-168.380.8000112.1M1 L170 Q171 K176 Y177 L178M1-N174 VanDerWaalsContact CG-OD1 3.29Å; M1-N174 WeakPolarHBondContact CG-OD1 3.41Å; M1-N174 PolarHBondContact SD-OD1 3Å; L170-N174 PolarHBondContact O-N 3Å; L170-N174 VanDerWaalsContact O-N 3.09Å; Q171-N174 PolarHBondContact O-N 3Å; N174-K176 PolarHBondContact O-N 3.05Å; N174-Y177 WeakPolarHBondContact O-CB 3.49Å; N174-Y177 PolarHBondContact O-N 3.17Å; N174-L178 PolarHBondContact O-N 3.35Å
175D96.5Very high95.5Very high78 Ų7852 Ų5242%0.41727%0.268SS..Hα-helixtrans-59.3-31.7174.5-71.12000112.2Q171 V173 L179Q171-D175 PolarHBondContact NE2-OD1 3.41Å; Q171-D175 WeakPolarHBondContact O-CB 3.33Å; Q171-D175 PolarHBondContact O-N 3.05Å; V173-D175 PolarHBondContact O-N 3.07Å; D175-L179 WeakPolarHBondContact O-CB 3.48Å; D175-L179 PolarHBondContact O-N 3Å
176K96.6Very high95.9Very high50 Ų5050.4 Ų50.422%0.21726%0.261CS..Hα-helixtrans-78-29176.2-69.2-79.5177.4167.60112.9E136 I137 K140 D172 V173 N174 L179 L180E136-K176 HydrophobicContact CB-CD 4.32Å; E136-K176 IonicContact OE2-NZ 3.26Å; E136-K176 PolarHBondContact OE2-NZ 3.49Å; I137-K176 HydrophobicContact CG1-CB 3.7Å; K140-K176 HydrophobicContact CG-CG 4.23Å; D172-K176 WeakPolarHBondContact O-CG 3.5Å; V173-K176 WeakPolarHBondContact O-CB 3.3Å; V173-K176 PolarHBondContact O-N 2.86Å; V173-K176 VanDerWaalsContact O-N 3.11Å; N174-K176 PolarHBondContact O-N 3.05Å; K176-L179 HydrophobicContact CD-CD2 4.48Å; K176-L180 PolarHBondContact O-N 3.23Å; K176-L180 VanDerWaalsContact O-N 3.11Å
177Y96.1Very high96.3Very high23 Ų2350.4 Ų50.49%0.0926%0.263CS..Hα-helixtrans-68.2-45.8168.5-81.7-72.1000111.3E2 I137 V173 N174 L179 L180 E181E2-Y177 HydrophobicContact CB-CD2 4.06Å; E2-Y177 HydrophobicContact CB-CE2 3.87Å; E2-Y177 HydrophobicContact CG-CD2 3.75Å; E2-Y177 HydrophobicContact CG-CE2 3.71Å; I137-Y177 HydrophobicContact CD1-CD1 3.99Å; I137-Y177 HydrophobicContact CD1-CE1 4.2Å; I137-Y177 HydrophobicContact CD1-CG 4.41Å; I137-Y177 HydrophobicContact CG2-CD2 4.43Å; I137-Y177 HydrophobicContact CG2-CE1 4.03Å; I137-Y177 HydrophobicContact CG2-CE2 3.88Å; V173-Y177 HydrophobicContact CG1-CD2 3.95Å; V173-Y177 HydrophobicContact CG1-CE2 3.69Å; V173-Y177 WeakPolarHBondContact O-CD2 3.32Å; V173-Y177 PolarHBondContact O-N 3.26Å; V173-Y177 VanDerWaalsContact O-N 3.09Å; N174-Y177 WeakPolarHBondContact O-CB 3.49Å; N174-Y177 PolarHBondContact O-N 3.17Å; Y177-L179 VanDerWaalsContact C-N 3.3Å; Y177-L179 PolarHBondContact O-N 3.31Å; Y177-L180 WeakPolarHBondContact O-CB 3.33Å; Y177-L180 PolarHBondContact O-N 3.26Å; Y177-L180 VanDerWaalsContact O-N 3.12Å; Y177-E181 PolarHBondContact O-N 3.38Å
178L95.8Very high96.6Very high76 Ų7647.1 Ų47.140%0.39825%0.245SC..Hα-helixtrans-60.4-38.3174.7-66.3171.2000112.1I5 N174 E181 E182I5-L178 HydrophobicContact CD1-CD2 3.77Å; I5-L178 HydrophobicContact CD1-CG 4.19Å; N174-L178 PolarHBondContact O-N 3.35Å; L178-E181 WeakPolarHBondContact O-CB 3.25Å; L178-E181 PolarHBondContact O-N 3.21Å; L178-E182 PolarHBondContact O-N 3.21Å
179L96.6Very high96.8Very high99 Ų9948.6 Ų48.652%0.51824%0.24SC..Hα-helixtrans-66.5-35.6174.4-176.762.6000112.9D175 K176 Y177 T183D175-L179 WeakPolarHBondContact O-CB 3.48Å; D175-L179 PolarHBondContact O-N 3Å; K176-L179 HydrophobicContact CD-CD2 4.48Å; Y177-L179 VanDerWaalsContact C-N 3.3Å; Y177-L179 PolarHBondContact O-N 3.31Å; L179-T183 WeakPolarHBondContact O-CB 3.43Å; L179-T183 PolarHBondContact O-N 3.04Å; L179-T183 PolarHBondContact O-OG1 3.39Å
180L96.4Very high96.9Very high0 Ų053.4 Ų53.40%026%0.258CS..Hα-helixtrans-65.9-43.4172.1172.966.5000110.8C9 Y130 A133 I137 K176 Y177 E182 T183 E184C9-L180 HydrophobicContact CB-CD2 4.34Å; C9-L180 HydrophobicContact CB-CG 4.46Å; Y130-L180 HydrophobicContact CD2-CD1 3.81Å; Y130-L180 HydrophobicContact CE2-CD1 3.97Å; A133-L180 HydrophobicContact CB-CB 4.39Å; A133-L180 HydrophobicContact CB-CD1 3.75Å; I137-L180 HydrophobicContact CD1-CB 3.93Å; I137-L180 HydrophobicContact CD1-CD2 3.67Å; I137-L180 HydrophobicContact CD1-CG 4.41Å; K176-L180 PolarHBondContact O-N 3.23Å; K176-L180 VanDerWaalsContact O-N 3.11Å; Y177-L180 WeakPolarHBondContact O-CB 3.33Å; Y177-L180 PolarHBondContact O-N 3.26Å; Y177-L180 VanDerWaalsContact O-N 3.12Å; L180-E182 PolarHBondContact O-N 3.39Å; L180-T183 WeakPolarHBondContact O-CB 3.36Å; L180-T183 PolarHBondContact O-N 2.88Å; L180-T183 VanDerWaalsContact O-N 3.15Å; L180-E184 HydrophobicContact CD1-CG 4.32Å; L180-E184 PolarHBondContact O-N 3.35Å
181E96.6Very high97.1Very high22 Ų2250 Ų5010%0.10324%0.24CC..Hα-helixtrans-58.2-48.2178.8-164.3-160.9122.600112.1I5 C9 Y177 L178 T183 E184 K185I5-E181 HydrophobicContact CG2-CB 3.83Å; I5-E181 HydrophobicContact CG2-CG 4.08Å; I5-E181 WeakPolarHBondContact CG2-OE2 3.37Å; C9-E181 WeakPolarHBondContact SG-CA 3.48Å; Y177-E181 PolarHBondContact O-N 3.38Å; L178-E181 WeakPolarHBondContact O-CB 3.25Å; L178-E181 PolarHBondContact O-N 3.21Å; E181-T183 VanDerWaalsContact C-N 3.32Å; E181-T183 PolarHBondContact O-N 3.5Å; E181-E184 PolarHBondContact O-N 3.48Å; E181-K185 WeakPolarHBondContact O-CG 3.39Å; E181-K185 PolarHBondContact O-N 3.49Å; E181-K185 WeakPolarHBondContact OE1-CE 3.5Å; E181-K185 IonicContact OE1-NZ 2.71Å; E181-K185 PolarHBondContact OE1-NZ 3.49Å
182E97.1Very high97.3Very high82 Ų8248.8 Ų48.838%0.38324%0.237SC..Hα-helixtrans-72-26.3177-164.755.2-139.700112.5L178 L180 K185 Q186 R189L178-E182 PolarHBondContact O-N 3.21Å; L180-E182 PolarHBondContact O-N 3.39Å; E182-K185 WeakPolarHBondContact OE2-CD 3.11Å; E182-Q186 VanDerWaalsContact O-CB 3.28Å; E182-Q186 WeakPolarHBondContact O-CB 3.4Å; E182-Q186 PolarHBondContact O-N 3.31Å; E182-R189 IonicContact OE1-CZ 2.84Å; E182-R189 VanDerWaalsContact OE1-CZ 3.24Å; E182-R189 IonicContact OE1-NH1 2.6Å; E182-R189 PolarHBondContact OE1-NH1 3.45Å; E182-R189 IonicContact OE1-NH2 2.88Å; E182-R189 PolarHBondContact OE1-NH2 2.78Å; E182-R189 IonicContact OE2-NH2 2.62Å
183T96.9Very high97.4Very high43 Ų4351.9 Ų51.926%0.26425%0.252SS..Hα-helixtrans-64.4-45.5170.2-59.60000111E129 L179 L180 E181 Q186 A187E129-T183 HydrophobicContact CB-CG2 4.38Å; L179-T183 WeakPolarHBondContact O-CB 3.43Å; L179-T183 PolarHBondContact O-N 3.04Å; L179-T183 PolarHBondContact O-OG1 3.39Å; L180-T183 WeakPolarHBondContact O-CB 3.36Å; L180-T183 PolarHBondContact O-N 2.88Å; L180-T183 VanDerWaalsContact O-N 3.15Å; E181-T183 VanDerWaalsContact C-N 3.32Å; E181-T183 PolarHBondContact O-N 3.5Å; T183-Q186 PolarHBondContact O-N 3.18Å; T183-A187 PolarHBondContact O-N 3.33Å
184E97.9Very high97.5Very high0 Ų053.5 Ų53.50%026%0.259CS..Hα-helixtrans-67.4-43176.8-67.4-5791.100111.8C9 L12 G13 H126 Y130 L180 E181 Q186 A187 V188C9-E184 HydrophobicContact CB-CG 4.37Å; L12-E184 HydrophobicContact CB-CB 3.71Å; L12-E184 HydrophobicContact CD1-CB 4Å; L12-E184 HydrophobicContact CG-CB 4.5Å; G13-E184 VanDerWaalsContact CA-OE2 3.26Å; G13-E184 WeakPolarHBondContact CA-OE2 3.31Å; H126-E184 IonicContact CD2-OE1 2.61Å; H126-E184 PolarHBondContact CD2-OE1 2.76Å; H126-E184 IonicContact CD2-OE2 2.66Å; H126-E184 IonicContact CE1-OE2 2.65Å; H126-E184 VanDerWaalsContact NE2-CD 3.26Å; H126-E184 IonicContact NE2-OE1 3.48Å; H126-E184 PolarHBondContact NE2-OE1 3.22Å; H126-E184 IonicContact NE2-OE2 2.67Å; H126-E184 PolarHBondContact NE2-OE2 2.85Å; Y130-E184 HydrophobicContact CD2-CG 4.37Å; Y130-E184 WeakPolarHBondContact CD2-OE1 3.25Å; L180-E184 HydrophobicContact CD1-CG 4.32Å; L180-E184 PolarHBondContact O-N 3.35Å; E181-E184 PolarHBondContact O-N 3.48Å; E184-Q186 VanDerWaalsContact C-N 3.29Å; E184-Q186 PolarHBondContact O-N 3.35Å; E184-A187 WeakPolarHBondContact O-CB 3.34Å; E184-A187 PolarHBondContact O-N 3.42Å; E184-V188 WeakPolarHBondContact O-CG2 3.23Å; E184-V188 PolarHBondContact O-N 3.23Å
185K98.3Very high97.7Very high64 Ų6455.1 Ų55.128%0.27827%0.266SS..Hα-helixtrans-55.1-45.4171.9-74.2168171171.20111.2L12 E181 E182 V188 R189L12-K185 HydrophobicContact CD1-CG 3.73Å; L12-K185 HydrophobicContact CD2-CG 4.14Å; E181-K185 WeakPolarHBondContact O-CG 3.39Å; E181-K185 PolarHBondContact O-N 3.49Å; E181-K185 WeakPolarHBondContact OE1-CE 3.5Å; E181-K185 IonicContact OE1-NZ 2.71Å; E181-K185 PolarHBondContact OE1-NZ 3.49Å; E182-K185 WeakPolarHBondContact OE2-CD 3.11Å; K185-V188 PolarHBondContact O-N 3.28Å; K185-R189 WeakPolarHBondContact O-CG 3.3Å; K185-R189 PolarHBondContact O-N 3.42Å
186Q98.4Very high97.8Very high87 Ų8759.7 Ų59.741%0.40728%0.278SS..Hα-helixtrans-72.5-27.5-179.9-167.761.2600113.3E182 T183 E184 K190E182-Q186 VanDerWaalsContact O-CB 3.28Å; E182-Q186 WeakPolarHBondContact O-CB 3.4Å; E182-Q186 PolarHBondContact O-N 3.31Å; T183-Q186 PolarHBondContact O-N 3.18Å; E184-Q186 VanDerWaalsContact C-N 3.29Å; E184-Q186 PolarHBondContact O-N 3.35Å; Q186-K190 VanDerWaalsContact O-CG 3.31Å; Q186-K190 WeakPolarHBondContact O-CG 3.44Å; Q186-K190 PolarHBondContact O-N 2.97Å; Q186-K190 VanDerWaalsContact O-N 3.14Å
187A98.4Very high97.9Very high11 Ų1158.5 Ų58.59%0.09128%0.28CS..Hα-helixtrans-66.4-48.1169.400000111.3F16 T183 E184 R189 K190 A191F16-A187 HydrophobicContact CD2-CB 3.85Å; F16-A187 WeakPolarHBondContact CD2-O 3.41Å; F16-A187 HydrophobicContact CE2-CB 4.04Å; F16-A187 HydrophobicContact CG-CB 4.39Å; T183-A187 PolarHBondContact O-N 3.33Å; E184-A187 WeakPolarHBondContact O-CB 3.34Å; E184-A187 PolarHBondContact O-N 3.42Å; A187-R189 PolarHBondContact O-N 2.88Å; A187-K190 PolarHBondContact O-N 3.18Å; A187-A191 PolarHBondContact O-N 3.44Å
188V98.8Very high98Very high10 Ų1057.7 Ų57.76%0.06128%0.277CS..Hα-helixtrans-58.1-47.2174.9172.40000111.2L12 L15 F16 I19 E184 K185 K190 A191 L192L12-V188 HydrophobicContact CB-CG2 4.28Å; L12-V188 HydrophobicContact CD2-CG2 4.2Å; L12-V188 VanDerWaalsContact O-CG2 3.27Å; L12-V188 WeakPolarHBondContact O-CG2 3.5Å; L15-V188 HydrophobicContact CD2-CG1 3.78Å; L15-V188 HydrophobicContact CD2-CG2 4.5Å; L15-V188 HydrophobicContact CG-CG1 4.18Å; L15-V188 HydrophobicContact CG-CG2 4.47Å; F16-V188 HydrophobicContact CB-CG2 3.96Å; I19-V188 HydrophobicContact CD1-CG1 4.34Å; E184-V188 WeakPolarHBondContact O-CG2 3.23Å; E184-V188 PolarHBondContact O-N 3.23Å; K185-V188 PolarHBondContact O-N 3.28Å; V188-K190 VanDerWaalsContact C-N 3.33Å; V188-K190 PolarHBondContact O-N 3.02Å; V188-A191 PolarHBondContact O-N 2.94Å; V188-L192 HydrophobicContact CG1-CD1 3.88Å; V188-L192 HydrophobicContact CG1-CG 4.35Å; V188-L192 WeakPolarHBondContact O-CG 3.37Å; V188-L192 PolarHBondContact O-N 3.42Å
189R98.8Very high98.1Very high104 Ų10459.1 Ų59.139%0.39228%0.28SS..Hα-helixtrans-57.3-43.3176.6-70.4-175-153.5107.5-1.5112E182 K185 A187 I193E182-R189 IonicContact OE1-CZ 2.84Å; E182-R189 VanDerWaalsContact OE1-CZ 3.24Å; E182-R189 IonicContact OE1-NH1 2.6Å; E182-R189 PolarHBondContact OE1-NH1 3.45Å; E182-R189 IonicContact OE1-NH2 2.88Å; E182-R189 PolarHBondContact OE1-NH2 2.78Å; E182-R189 IonicContact OE2-NH2 2.62Å; K185-R189 WeakPolarHBondContact O-CG 3.3Å; K185-R189 PolarHBondContact O-N 3.42Å; A187-R189 PolarHBondContact O-N 2.88Å; R189-I193 WeakPolarHBondContact O-CB 3.45Å; R189-I193 WeakPolarHBondContact O-CD1 3.43Å; R189-I193 WeakPolarHBondContact O-CG1 3.32Å; R189-I193 PolarHBondContact O-N 3.13Å
190K98.7Very high98.2Very high115 Ų11556.5 Ų56.550%0.527%0.27SS..Hα-helixtrans-62.6-43176-74.7173.4178.4-176.70112.6L122 Q186 A187 V188 I193 E194L122-K190 HydrophobicContact CD2-CB 4.1Å; L122-K190 HydrophobicContact CD2-CD 4.41Å; Q186-K190 VanDerWaalsContact O-CG 3.31Å; Q186-K190 WeakPolarHBondContact O-CG 3.44Å; Q186-K190 PolarHBondContact O-N 2.97Å; Q186-K190 VanDerWaalsContact O-N 3.14Å; A187-K190 PolarHBondContact O-N 3.18Å; V188-K190 VanDerWaalsContact C-N 3.33Å; V188-K190 PolarHBondContact O-N 3.02Å; K190-I193 PolarHBondContact O-N 2.96Å; K190-E194 WeakPolarHBondContact O-CB 3.47Å; K190-E194 PolarHBondContact O-N 3.37Å
191A98.7Very high98.4Very high0 Ų058.7 Ų58.70%028%0.283CS..Hα-helixtrans-64-45178.900000112.1F16 I19 M23 A187 V188 I193 E194 E195F16-A191 HydrophobicContact CD2-CB 3.77Å; F16-A191 HydrophobicContact CE2-CB 3.87Å; I19-A191 HydrophobicContact CB-CB 4.15Å; I19-A191 HydrophobicContact CD1-CB 4.24Å; I19-A191 HydrophobicContact CG2-CB 3.84Å; M23-A191 HydrophobicContact CE-CB 4.47Å; A187-A191 PolarHBondContact O-N 3.44Å; V188-A191 PolarHBondContact O-N 2.94Å; A191-I193 PolarHBondContact O-N 2.87Å; A191-E194 PolarHBondContact O-N 3.16Å; A191-E195 WeakPolarHBondContact O-CB 3.45Å; A191-E195 PolarHBondContact O-N 3.38Å
192L98.8Very high98.5Very high78 Ų7859.2 Ų59.241%0.40829%0.285SS..Hα-helixtrans-65-36.6176.7-68.3172.6000112.9I19 V188 R196I19-L192 HydrophobicContact CD1-CD2 3.56Å; I19-L192 HydrophobicContact CD1-CG 3.79Å; I19-L192 HydrophobicContact CG1-CD2 4.13Å; V188-L192 HydrophobicContact CG1-CD1 3.88Å; V188-L192 HydrophobicContact CG1-CG 4.35Å; V188-L192 WeakPolarHBondContact O-CG 3.37Å; V188-L192 PolarHBondContact O-N 3.42Å; L192-R196 VanDerWaalsContact O-CB 3.27Å; L192-R196 WeakPolarHBondContact O-CB 3.02Å; L192-R196 PolarHBondContact O-N 2.88Å
193I98.8Very high98.5Very high124 Ų12459.6 Ų59.664%0.63629%0.289SS*.Hα-helixtrans-67.2-43.1176.2-71.9165.7000110.9R189 K190 A191 G197R189-I193 WeakPolarHBondContact O-CB 3.45Å; R189-I193 WeakPolarHBondContact O-CD1 3.43Å; R189-I193 WeakPolarHBondContact O-CG1 3.32Å; R189-I193 PolarHBondContact O-N 3.13Å; K190-I193 PolarHBondContact O-N 2.96Å; A191-I193 PolarHBondContact O-N 2.87Å; I193-G197 WeakPolarHBondContact O-CA 3.49Å; I193-G197 PolarHBondContact O-N 3.33Å
194E98.6Very high98.6Very high38 Ų3860.1 Ų60.118%0.17829%0.294CS..Hα-helixtrans-63.4-49174.9170.961.5-164.400111.4M23 V118 L122 K190 A191 R196 G197 R198M23-E194 HydrophobicContact CE-CB 4.43Å; M23-E194 HydrophobicContact CE-CG 4.02Å; M23-E194 HydrophobicContact SD-CB 4.25Å; M23-E194 HydrophobicContact SD-CG 3.6Å; M23-E194 VanDerWaalsContact SD-CG 3.6Å; V118-E194 HydrophobicContact CG1-CG 4.17Å; V118-E194 WeakPolarHBondContact CG1-OE2 3.41Å; L122-E194 HydrophobicContact CD1-CB 3.84Å; L122-E194 HydrophobicContact CD1-CG 3.84Å; K190-E194 WeakPolarHBondContact O-CB 3.47Å; K190-E194 PolarHBondContact O-N 3.37Å; A191-E194 PolarHBondContact O-N 3.16Å; E194-R196 PolarHBondContact O-N 3.11Å; E194-G197 WeakPolarHBondContact O-CA 3.29Å; E194-G197 PolarHBondContact O-N 3.43Å; E194-G197 VanDerWaalsContact O-N 3.1Å; E194-R198 WeakPolarHBondContact O-CG 3.47Å; E194-R198 PolarHBondContact O-N 2.96Å; E194-R198 IonicContact OE1-CZ 3.98Å; E194-R198 VanDerWaalsContact OE1-CZ 3.23Å; E194-R198 IonicContact OE1-NE 2.71Å; E194-R198 PolarHBondContact OE1-NE 2.69Å; E194-R198 IonicContact OE1-NH2 2.68Å; E194-R198 PolarHBondContact OE1-NH2 3.11Å
195E98.5Very high98.6Very high54 Ų5461.3 Ų61.325%0.25230%0.3SS..Hα-helixtrans-56.7-52.6178.4179177-113.800111.7I19 M23 A191 G197 R198 F199I19-E195 HydrophobicContact CG2-CB 4.14Å; M23-E195 HydrophobicContact CG-CB 4.05Å; M23-E195 HydrophobicContact CG-CG 4.27Å; M23-E195 HydrophobicContact SD-CB 3.87Å; A191-E195 WeakPolarHBondContact O-CB 3.45Å; A191-E195 PolarHBondContact O-N 3.38Å; E195-G197 VanDerWaalsContact C-N 3.27Å; E195-G197 PolarHBondContact O-N 3.31Å; E195-R198 WeakPolarHBondContact O-CB 3.48Å; E195-R198 PolarHBondContact O-N 2.9Å; E195-F199 HydrophobicContact CG-CE2 4.4Å; E195-F199 VanDerWaalsContact O-CD2 3.29Å; E195-F199 WeakPolarHBondContact O-CD2 3.31Å
196R98.8Very high98.7Very high173 Ų17360.7 Ų60.765%0.65330%0.3SS*.Hα-helixtrans-60.8-38.4174.7-176.4-177.9174.3-78.40.9111.7L192 E194 R198 F199 C200L192-R196 VanDerWaalsContact O-CB 3.27Å; L192-R196 WeakPolarHBondContact O-CB 3.02Å; L192-R196 PolarHBondContact O-N 2.88Å; E194-R196 PolarHBondContact O-N 3.11Å; R196-R198 VanDerWaalsContact C-N 3.3Å; R196-R198 PolarHBondContact O-N 3.39Å; R196-F199 PolarHBondContact O-N 2.88Å; R196-C200 PolarHBondContact O-N 3.38Å; R196-C200 PolarHBondContact O-SG 3.07Å; R196-C200 VanDerWaalsContact O-SG 3.41Å
197G98.7Very high98.7Very high26 Ų2664 Ų6427%0.26831%0.308SS..Hα-helixtrans-55.8-42.2178.400000112.6I193 E194 E195 F199 C200 T201I193-G197 WeakPolarHBondContact O-CA 3.49Å; I193-G197 PolarHBondContact O-N 3.33Å; E194-G197 WeakPolarHBondContact O-CA 3.29Å; E194-G197 PolarHBondContact O-N 3.43Å; E194-G197 VanDerWaalsContact O-N 3.1Å; E195-G197 VanDerWaalsContact C-N 3.27Å; E195-G197 PolarHBondContact O-N 3.31Å; G197-F199 PolarHBondContact O-N 3.28Å; G197-C200 PolarHBondContact O-N 2.66Å; G197-T201 PolarHBondContact O-N 3.48Å; G197-T201 PolarHBondContact O-OG1 3.29Å
198R98.6Very high98.6Very high5 Ų566 Ų662%0.01932%0.32CS..Hα-helixtrans-56.7-49.5177.6-64.6168.4-179-141.6-9.6112.1M23 W115 E194 E195 R196 T201 F202M23-R198 PolarHBondContact O-NH1 3.46Å; W115-R198 HydrophobicContact CD2-CB 4.36Å; W115-R198 HydrophobicContact CD2-CG 3.84Å; W115-R198 HydrophobicContact CE3-CG 4.45Å; W115-R198 HydrophobicContact CG-CG 4.07Å; W115-R198 HydrophobicContact CH2-CB 4.1Å; W115-R198 HydrophobicContact CZ2-CB 3.76Å; W115-R198 HydrophobicContact CZ2-CG 4.01Å; W115-R198 WeakPolarHBondContact CZ2-O 3.3Å; W115-R198 PolarHBondContact O-NH2 3.32Å; E194-R198 WeakPolarHBondContact O-CG 3.47Å; E194-R198 PolarHBondContact O-N 2.96Å; E194-R198 IonicContact OE1-CZ 3.98Å; E194-R198 VanDerWaalsContact OE1-CZ 3.23Å; E194-R198 IonicContact OE1-NE 2.71Å; E194-R198 PolarHBondContact OE1-NE 2.69Å; E194-R198 IonicContact OE1-NH2 2.68Å; E194-R198 PolarHBondContact OE1-NH2 3.11Å; E195-R198 WeakPolarHBondContact O-CB 3.48Å; E195-R198 PolarHBondContact O-N 2.9Å; R196-R198 VanDerWaalsContact C-N 3.3Å; R196-R198 PolarHBondContact O-N 3.39Å; R198-T201 PolarHBondContact O-N 2.61Å; R198-F202 PolarHBondContact O-N 3.3Å
199F98.8Very high98.6Very high106 Ų10665.7 Ų65.747%0.46532%0.318SS..Hα-helixtrans-66.8-37.9177.2-63.8-73.6000112.4W30 E195 R196 G197 F202 I203W30-F199 AromaticContact CH2-CD1 3.86Å; W30-F199 HydrophobicContact CH2-CD1 3.86Å; W30-F199 AromaticContact CH2-CE1 3.91Å; W30-F199 HydrophobicContact CH2-CE1 3.91Å; W30-F199 AromaticContact CZ2-CD1 3.89Å; W30-F199 HydrophobicContact CZ2-CD1 3.89Å; W30-F199 AromaticContact CZ2-CE1 3.61Å; W30-F199 HydrophobicContact CZ2-CE1 3.61Å; W30-F199 HydrophobicContact CZ2-CZ 4.23Å; E195-F199 HydrophobicContact CG-CE2 4.4Å; E195-F199 VanDerWaalsContact O-CD2 3.29Å; E195-F199 WeakPolarHBondContact O-CD2 3.31Å; R196-F199 PolarHBondContact O-N 2.88Å; G197-F199 PolarHBondContact O-N 3.28Å; F199-F202 PolarHBondContact O-N 2.92Å; F199-I203 WeakPolarHBondContact O-CB 3.41Å; F199-I203 WeakPolarHBondContact O-CD1 3.47Å; F199-I203 VanDerWaalsContact O-CG1 3.25Å; F199-I203 WeakPolarHBondContact O-CG1 3.34Å; F199-I203 PolarHBondContact O-N 3.47Å
200C98.7Very high98.6Very high45 Ų4563.9 Ų63.930%0.30432%0.316SS..Hα-helixtrans-64.5-38.1174.3-69.10000113R196 G197 S204R196-C200 PolarHBondContact O-N 3.38Å; R196-C200 PolarHBondContact O-SG 3.07Å; R196-C200 VanDerWaalsContact O-SG 3.41Å; G197-C200 PolarHBondContact O-N 2.66Å; C200-S204 WeakPolarHBondContact O-CB 3.45Å; C200-S204 PolarHBondContact O-N 3.27Å; C200-S204 PolarHBondContact O-OG 3.47Å
201T98.7Very high98.5Very high46 Ų4662.6 Ų62.628%0.28231%0.312SS..Hα-helixtrans-66.2-47.5173.8-67.80000111Q111 W115 G197 R198 I203 S204 M205Q111-T201 HydrophobicContact CG-CG2 4.25Å; W115-T201 HydrophobicContact CZ2-CG2 4.23Å; G197-T201 PolarHBondContact O-N 3.48Å; G197-T201 PolarHBondContact O-OG1 3.29Å; R198-T201 PolarHBondContact O-N 2.61Å; T201-I203 PolarHBondContact O-N 3.05Å; T201-S204 WeakPolarHBondContact O-CA 3.43Å; T201-S204 WeakPolarHBondContact O-CB 3.42Å; T201-S204 PolarHBondContact O-N 2.72Å; T201-M205 HydrophobicContact CG2-CE 3.56Å; T201-M205 HydrophobicContact CG2-SD 4.12Å; T201-M205 WeakPolarHBondContact O-CG 3.41Å; T201-M205 PolarHBondContact O-N 2.87Å
202F98.8Very high98.3Very high33 Ų3364.9 Ų64.915%0.14532%0.322CS..Hα-helixtrans-56.4-46.5174.2166.9-108.4000112.9W30 F33 L104 L108 R198 F199 S204 M205 L206W30-F202 HydrophobicContact CH2-CB 3.88Å; W30-F202 HydrophobicContact CH2-CD1 4.09Å; W30-F202 HydrophobicContact CH2-CD2 4.34Å; W30-F202 AromaticContact CH2-CG 3.83Å; W30-F202 HydrophobicContact CH2-CG 3.83Å; W30-F202 HydrophobicContact CZ3-CB 3.98Å; W30-F202 HydrophobicContact CZ3-CD1 4.09Å; W30-F202 AromaticContact CZ3-CD2 3.65Å; W30-F202 HydrophobicContact CZ3-CD2 3.65Å; W30-F202 HydrophobicContact CZ3-CE2 4.13Å; W30-F202 AromaticContact CZ3-CG 3.62Å; W30-F202 HydrophobicContact CZ3-CG 3.62Å; F33-F202 HydrophobicContact CD1-CE2 4.35Å; F33-F202 AromaticContact CE1-CE2 3.65Å; F33-F202 HydrophobicContact CE1-CE2 3.65Å; F33-F202 HydrophobicContact CE1-CZ 4.34Å; F33-F202 HydrophobicContact CE2-CE2 4.39Å; F33-F202 HydrophobicContact CE2-CZ 4.28Å; F33-F202 AromaticContact CZ-CE2 3.67Å; F33-F202 HydrophobicContact CZ-CE2 3.67Å; F33-F202 AromaticContact CZ-CZ 3.92Å; F33-F202 HydrophobicContact CZ-CZ 3.92Å; L104-F202 HydrophobicContact CD1-CD2 4.04Å; L104-F202 HydrophobicContact CD1-CE2 3.95Å; L108-F202 HydrophobicContact CD1-CD2 4.45Å; L108-F202 HydrophobicContact CD2-CD2 4.09Å; L108-F202 HydrophobicContact CD2-CE2 4.4Å; R198-F202 PolarHBondContact O-N 3.3Å; F199-F202 PolarHBondContact O-N 2.92Å; F202-S204 PolarHBondContact O-N 3.43Å; F202-M205 WeakPolarHBondContact O-CB 3.44Å; F202-M205 PolarHBondContact O-N 3.12Å; F202-L206 HydrophobicContact CE1-CD2 4.22Å; F202-L206 HydrophobicContact CZ-CD2 4.09Å; F202-L206 WeakPolarHBondContact O-CB 3.4Å; F202-L206 PolarHBondContact O-N 3.36Å
203I98.7Very high98.1Very high89 Ų8965.6 Ų65.646%0.45632%0.323SS..Hα-helixtrans-62.9-30.7175.7-69.2164000111.2F199 T201 R207F199-I203 WeakPolarHBondContact O-CB 3.41Å; F199-I203 WeakPolarHBondContact O-CD1 3.47Å; F199-I203 VanDerWaalsContact O-CG1 3.25Å; F199-I203 WeakPolarHBondContact O-CG1 3.34Å; F199-I203 PolarHBondContact O-N 3.47Å; T201-I203 PolarHBondContact O-N 3.05Å; I203-R207 VanDerWaalsContact O-CG 3.31Å; I203-R207 WeakPolarHBondContact O-CG 3.24Å; I203-R207 PolarHBondContact O-N 3.47Å; I203-R207 PolarHBondContact O-NE 3.49Å
204S98.6Very high97.9Very high55 Ų5563.7 Ų63.739%0.38531%0.314SS..Hα-helixtrans-73.3-35.2176.6-580000113C200 T201 F202 R207 P208C200-S204 WeakPolarHBondContact O-CB 3.45Å; C200-S204 PolarHBondContact O-N 3.27Å; C200-S204 PolarHBondContact O-OG 3.47Å; T201-S204 WeakPolarHBondContact O-CA 3.43Å; T201-S204 WeakPolarHBondContact O-CB 3.42Å; T201-S204 PolarHBondContact O-N 2.72Å; F202-S204 PolarHBondContact O-N 3.43Å; S204-R207 PolarHBondContact OG-NH2 3.17Å; S204-P208 WeakPolarHBondContact O-CD 3.15Å
205M98.6Very high97.6Very high25 Ų2563.6 Ų63.612%0.12332%0.317CS..Hα-helixtrans-69.2-37.2170.5-68.7165.1174.400112.3C103 L104 P107 L108 Q111 T201 F202 P208C103-M205 WeakPolarHBondContact O-CA 3.42Å; C103-M205 VanDerWaalsContact O-CB 3.3Å; C103-M205 WeakPolarHBondContact O-CB 3.4Å; L104-M205 HydrophobicContact CD1-CB 3.68Å; P107-M205 HydrophobicContact CB-CE 3.73Å; P107-M205 HydrophobicContact CB-CG 4.32Å; P107-M205 HydrophobicContact CB-SD 4.27Å; P107-M205 WeakPolarHBondContact O-CE 3.35Å; L108-M205 HydrophobicContact CB-SD 3.95Å; L108-M205 HydrophobicContact CD1-SD 4.04Å; Q111-M205 HydrophobicContact CB-CE 3.98Å; Q111-M205 HydrophobicContact CG-CE 4.18Å; T201-M205 HydrophobicContact CG2-CE 3.56Å; T201-M205 HydrophobicContact CG2-SD 4.12Å; T201-M205 WeakPolarHBondContact O-CG 3.41Å; T201-M205 PolarHBondContact O-N 2.87Å; F202-M205 WeakPolarHBondContact O-CB 3.44Å; F202-M205 PolarHBondContact O-N 3.12Å; M205-P208 WeakPolarHBondContact O-CD 3.34Å; M205-P208 WeakPolarHBondContact O-CG 3.46Å
206L98.6Very high97.3Very high51 Ų5162.1 Ų62.127%0.26731%0.311SS..Hα-helixtrans-74.4-38.2-178.3-179.661.5000113.4L104 F202 V209 I210L104-L206 HydrophobicContact CD1-CB 4.47Å; L104-L206 HydrophobicContact CD2-CD1 3.8Å; F202-L206 HydrophobicContact CE1-CD2 4.22Å; F202-L206 HydrophobicContact CZ-CD2 4.09Å; F202-L206 WeakPolarHBondContact O-CB 3.4Å; F202-L206 PolarHBondContact O-N 3.36Å; L206-V209 WeakPolarHBondContact O-CB 3.46Å; L206-V209 PolarHBondContact O-N 3.36Å; L206-I210 HydrophobicContact CD1-CD1 4.14Å; L206-I210 HydrophobicContact CD1-CG1 4.14Å; L206-I210 HydrophobicContact CG-CD1 4.45Å; L206-I210 HydrophobicContact CG-CG1 4.02Å; L206-I210 PolarHBondContact O-N 3.34Å
207R98.4Very high96.7Very high157 Ų15758.8 Ų58.859%0.59231%0.305SS*.Hα-helixtrans-47.1-51.5-177.5-88.7-178-67157.2-2.3115.5I203 S204 V209 I210 E211I203-R207 VanDerWaalsContact O-CG 3.31Å; I203-R207 WeakPolarHBondContact O-CG 3.24Å; I203-R207 PolarHBondContact O-N 3.47Å; I203-R207 PolarHBondContact O-NE 3.49Å; S204-R207 PolarHBondContact OG-NH2 3.17Å; R207-V209 VanDerWaalsContact C-N 3.25Å; R207-V209 PolarHBondContact O-N 3.1Å; R207-I210 PolarHBondContact O-N 3.27Å; R207-E211 PolarHBondContact O-N 2.69Å
208P97.9Very high96.2Very high52 Ų5259.3 Ų59.334%0.33831%0.311SS..Hα-helixtrans-63.4-28.317924.5-35.4000113.7C103 S204 M205 E211 E212C103-P208 HydrophobicContact CB-CB 4.36Å; C103-P208 HydrophobicContact CB-CG 3.62Å; S204-P208 WeakPolarHBondContact O-CD 3.15Å; M205-P208 WeakPolarHBondContact O-CD 3.34Å; M205-P208 WeakPolarHBondContact O-CG 3.46Å; P208-E211 PolarHBondContact O-N 3.41Å; P208-E212 PolarHBondContact O-N 3.44Å
209V98.4Very high95.6Very high4 Ų460.8 Ų60.82%0.02432%0.318CS..Hα-helixtrans-68.1-40.6175.5-167.10000110.7F96 A99 L100 L104 L206 R207 E212 E213F96-V209 HydrophobicContact CD2-CG1 4Å; F96-V209 WeakPolarHBondContact CD2-O 3.31Å; F96-V209 HydrophobicContact CE2-CG1 3.67Å; F96-V209 HydrophobicContact CZ-CG1 4.41Å; A99-V209 HydrophobicContact CB-CG2 4.41Å; L100-V209 HydrophobicContact CB-CG1 4.03Å; L100-V209 HydrophobicContact CD1-CG1 4.22Å; L104-V209 HydrophobicContact CB-CG2 3.9Å; L104-V209 HydrophobicContact CD2-CG2 4.43Å; L206-V209 WeakPolarHBondContact O-CB 3.46Å; L206-V209 PolarHBondContact O-N 3.36Å; R207-V209 VanDerWaalsContact C-N 3.25Å; R207-V209 PolarHBondContact O-N 3.1Å; V209-E212 PolarHBondContact O-N 3.28Å; V209-E213 PolarHBondContact O-N 3.17Å
210I97.4Very high94.8Very high66 Ų6659.4 Ų59.434%0.33832%0.315SS..Hα-helixtrans-71.4-33177.5-56.4-59000111.8L206 R207 E212 E213 I214L206-I210 HydrophobicContact CD1-CD1 4.14Å; L206-I210 HydrophobicContact CD1-CG1 4.14Å; L206-I210 HydrophobicContact CG-CD1 4.45Å; L206-I210 HydrophobicContact CG-CG1 4.02Å; L206-I210 PolarHBondContact O-N 3.34Å; R207-I210 PolarHBondContact O-N 3.27Å; I210-E212 VanDerWaalsContact C-N 3.35Å; I210-E212 PolarHBondContact O-N 3.39Å; I210-E213 WeakPolarHBondContact O-CB 3.37Å; I210-E213 PolarHBondContact O-N 3.33Å; I210-I214 HydrophobicContact CG2-CD1 3.96Å; I210-I214 HydrophobicContact CG2-CG1 4.35Å; I210-I214 WeakPolarHBondContact O-CG1 3.46Å; I210-I214 PolarHBondContact O-N 3.27Å
211E96.6Very high94.2Very high88 Ų8860.8 Ų60.841%0.41132%0.322SS..Hα-helixtrans-62.5-41.8174.9-168.269-158.600111.4R207 P208 E213 I214 S215 W413R207-E211 PolarHBondContact O-N 2.69Å; P208-E211 PolarHBondContact O-N 3.41Å; E211-E213 VanDerWaalsContact C-N 3.35Å; E211-E213 PolarHBondContact O-N 3.02Å; E211-I214 PolarHBondContact O-N 3.46Å; E211-S215 WeakPolarHBondContact O-CB 3.43Å; E211-S215 PolarHBondContact O-N 2.9Å; E211-W413 VanDerWaalsContact OE2-CH2 3.25Å; E211-W413 WeakPolarHBondContact OE2-CH2 3.39Å
212E96Very high93.8Very high47 Ų4762.3 Ų62.322%0.2233%0.325CS..Hα-helixtrans-66-35.5173.8-72.8-59.415200112.4K92 Q95 F96 A99 P208 V209 I210 S215 M216K92-E212 IonicContact NZ-OE1 3.31Å; K92-E212 PolarHBondContact NZ-OE1 2.84Å; K92-E212 IonicContact NZ-OE2 3.42Å; K92-E212 PolarHBondContact NZ-OE2 3.37Å; Q95-E212 HydrophobicContact CB-CG 4.49Å; Q95-E212 PolarHBondContact OE1-OE2 2.99Å; F96-E212 HydrophobicContact CB-CB 4.11Å; F96-E212 HydrophobicContact CD2-CB 4.4Å; A99-E212 HydrophobicContact CB-CG 4.26Å; P208-E212 PolarHBondContact O-N 3.44Å; V209-E212 PolarHBondContact O-N 3.28Å; I210-E212 VanDerWaalsContact C-N 3.35Å; I210-E212 PolarHBondContact O-N 3.39Å; E212-S215 WeakPolarHBondContact O-CB 3.41Å; E212-S215 PolarHBondContact O-N 3.04Å; E212-S215 PolarHBondContact O-OG 2.84Å; E212-S215 PolarHBondContact OE2-OG 3.43Å; E212-M216 PolarHBondContact O-N 3.49Å
213E93.9Very high93.5Very high93 Ų9362.2 Ų62.244%0.43533%0.326SS..Hα-helixtrans-64.2-44.9173.1-168.3171.3-154.600112.3F96 V209 I210 E211 S215 M216F96-E213 HydrophobicContact CD2-CB 3.97Å; F96-E213 HydrophobicContact CE2-CB 3.79Å; F96-E213 HydrophobicContact CE2-CG 4.28Å; V209-E213 PolarHBondContact O-N 3.17Å; I210-E213 WeakPolarHBondContact O-CB 3.37Å; I210-E213 PolarHBondContact O-N 3.33Å; E211-E213 VanDerWaalsContact C-N 3.35Å; E211-E213 PolarHBondContact O-N 3.02Å; E213-S215 VanDerWaalsContact C-N 3.26Å; E213-S215 PolarHBondContact O-N 3.49Å; E213-M216 HydrophobicContact CB-CE 4.4Å; E213-M216 HydrophobicContact CG-CE 4.28Å; E213-M216 WeakPolarHBondContact O-CB 3.3Å; E213-M216 PolarHBondContact O-N 3.24Å
214I94.5Very high93.2Very high84 Ų8464.4 Ų64.443%0.43134%0.335SS..Hα-helixtrans-60.7-38.6173.7-69.4166.5000110.4I210 E211 M216 L217I210-I214 HydrophobicContact CG2-CD1 3.96Å; I210-I214 HydrophobicContact CG2-CG1 4.35Å; I210-I214 WeakPolarHBondContact O-CG1 3.46Å; I210-I214 PolarHBondContact O-N 3.27Å; E211-I214 PolarHBondContact O-N 3.46Å; I214-M216 VanDerWaalsContact C-N 3.28Å; I214-M216 PolarHBondContact O-N 3.46Å; I214-L217 WeakPolarHBondContact O-CB 3.47Å; I214-L217 PolarHBondContact O-N 2.81Å
215S93.1Very high92.9Very high36 Ų3666.6 Ų66.625%0.25235%0.346SS..Hα-helixtrans-62.7-31.3179.986.70000113.5K92 E211 E212 E213 L217 G218K92-S215 WeakPolarHBondContact CD-OG 3.34Å; K92-S215 WeakPolarHBondContact CE-OG 3.47Å; K92-S215 PolarHBondContact NZ-OG 2.85Å; K92-S215 VanDerWaalsContact NZ-OG 3.11Å; E211-S215 WeakPolarHBondContact O-CB 3.43Å; E211-S215 PolarHBondContact O-N 2.9Å; E212-S215 WeakPolarHBondContact O-CB 3.41Å; E212-S215 PolarHBondContact O-N 3.04Å; E212-S215 PolarHBondContact O-OG 2.84Å; E212-S215 PolarHBondContact OE2-OG 3.43Å; E213-S215 VanDerWaalsContact C-N 3.26Å; E213-S215 PolarHBondContact O-N 3.49Å; S215-L217 VanDerWaalsContact C-N 3.27Å; S215-L217 PolarHBondContact O-N 3.48Å; S215-G218 PolarHBondContact O-N 3.25Å
216M91.1Very high92.8Very high23 Ų2366.1 Ų66.111%0.11334%0.343CS..Hα-helixtrans-64.2-30.1174.3-75.6-173.3-77.400112.8K92 L93 F96 E212 E213 I214 G218 E219K92-M216 HydrophobicContact CB-CG 3.47Å; K92-M216 VanDerWaalsContact CB-CG 3.47Å; K92-M216 HydrophobicContact CB-SD 4.44Å; K92-M216 HydrophobicContact CG-CG 4.46Å; L93-M216 HydrophobicContact CB-SD 4.06Å; L93-M216 HydrophobicContact CD1-CE 4.23Å; L93-M216 HydrophobicContact CD1-SD 3.87Å; F96-M216 HydrophobicContact CB-CE 3.92Å; F96-M216 HydrophobicContact CD1-CE 4.2Å; F96-M216 HydrophobicContact CD2-CE 4.2Å; F96-M216 HydrophobicContact CG-CE 3.86Å; E212-M216 PolarHBondContact O-N 3.49Å; E213-M216 HydrophobicContact CB-CE 4.4Å; E213-M216 HydrophobicContact CG-CE 4.28Å; E213-M216 WeakPolarHBondContact O-CB 3.3Å; E213-M216 PolarHBondContact O-N 3.24Å; I214-M216 VanDerWaalsContact C-N 3.28Å; I214-M216 PolarHBondContact O-N 3.46Å; M216-G218 VanDerWaalsContact C-N 3.25Å; M216-G218 PolarHBondContact O-N 3.28Å; M216-E219 PolarHBondContact O-N 3.27Å
217L87.8Confident92.7Very high104 Ų10466.9 Ų66.955%0.54535%0.353SS..Hα-helixtrans-67.7-25.8-177.4-56.8178.5000112.7I214 S215 I220I214-L217 WeakPolarHBondContact O-CB 3.47Å; I214-L217 PolarHBondContact O-N 2.81Å; S215-L217 VanDerWaalsContact C-N 3.27Å; S215-L217 PolarHBondContact O-N 3.48Å; L217-I220 HydrophobicContact CD2-CD1 3.95Å; L217-I220 PolarHBondContact O-N 3.29Å
218G87.4Confident92.6Very high37 Ų3764.5 Ų64.538%0.38135%0.349SS..Hα-helixtrans-60.6-48176.300000112.5S215 M216 I220 T221S215-G218 PolarHBondContact O-N 3.25Å; M216-G218 VanDerWaalsContact C-N 3.25Å; M216-G218 PolarHBondContact O-N 3.28Å; G218-I220 VanDerWaalsContact C-N 3.25Å; G218-I220 PolarHBondContact O-N 2.94Å; G218-T221 WeakPolarHBondContact O-CB 3.42Å; G218-T221 PolarHBondContact O-N 3.16Å; G218-T221 VanDerWaalsContact O-N 3.17Å; G218-T221 PolarHBondContact O-OG1 3Å
219E86.1Confident92.5Very high36 Ų3664.1 Ų64.117%0.16834%0.344CS..Hα-helixtrans-65-27-178.8-65.2-60.6119.200113.1R85 S88 I89 M216 T221 H222 L223R85-E219 IonicContact NH1-OE2 3.54Å; R85-E219 PolarHBondContact NH1-OE2 2.94Å; S88-E219 WeakPolarHBondContact CB-OE2 3.28Å; S88-E219 PolarHBondContact OG-OE2 3.36Å; I89-E219 HydrophobicContact CD1-CB 4.1Å; I89-E219 HydrophobicContact CG1-CB 3.53Å; I89-E219 HydrophobicContact CG1-CG 4.24Å; M216-E219 PolarHBondContact O-N 3.27Å; E219-T221 PolarHBondContact O-N 3.48Å; E219-H222 WeakPolarHBondContact O-CB 3.48Å; E219-H222 PolarHBondContact O-N 2.85Å; E219-H222 VanDerWaalsContact O-N 3.1Å; E219-L223 PolarHBondContact O-N 2.7Å
220I81.7Confident92.4Very high77 Ų7765.2 Ų65.240%0.39535%0.349SS..Hα-helixtrans-61.6-32177.5-58.5178.4000111L217 G218 H222 L223L217-I220 HydrophobicContact CD2-CD1 3.95Å; L217-I220 PolarHBondContact O-N 3.29Å; G218-I220 VanDerWaalsContact C-N 3.25Å; G218-I220 PolarHBondContact O-N 2.94Å; I220-H222 VanDerWaalsContact C-N 3.27Å; I220-H222 PolarHBondContact O-N 2.85Å; I220-L223 WeakPolarHBondContact O-CB 3.4Å; I220-L223 PolarHBondContact O-N 3.41Å
221T86.6Confident92.4Very high74 Ų7467.2 Ų67.245%0.45436%0.356SS..Hα-helixtrans-60.9-37.3176.169.60000111.9G218 E219 L223 Q224G218-T221 WeakPolarHBondContact O-CB 3.42Å; G218-T221 PolarHBondContact O-N 3.16Å; G218-T221 VanDerWaalsContact O-N 3.17Å; G218-T221 PolarHBondContact O-OG1 3Å; E219-T221 PolarHBondContact O-N 3.48Å; T221-L223 VanDerWaalsContact C-N 3.35Å; T221-L223 PolarHBondContact O-N 3.14Å; T221-Q224 PolarHBondContact O-N 3.39Å
222H90.3Very high92.4Very high78 Ų7866.3 Ų66.336%0.36136%0.359SS..Hα-helixtrans-72.3-26.2178.3-61.9-33.5000113.2R85 E219 I220 Q224 I226R85-H222 HydrophobicContact CG-CB 4.22Å; E219-H222 WeakPolarHBondContact O-CB 3.48Å; E219-H222 PolarHBondContact O-N 2.85Å; E219-H222 VanDerWaalsContact O-N 3.1Å; I220-H222 VanDerWaalsContact C-N 3.27Å; I220-H222 PolarHBondContact O-N 2.85Å; H222-Q224 VanDerWaalsContact C-N 3.29Å; H222-Q224 PolarHBondContact O-N 3.11Å; H222-I226 WeakPolarHBondContact O-CG1 3.37Å; H222-I226 PolarHBondContact O-N 3.19Å
223L91.8Very high92.4Very high31 Ų3166.5 Ų66.516%0.16236%0.361CS..Hα-helixtrans-64.7-34.7174-58.6-178.3000111.7M82 R85 I89 E219 I220 T221 I226 S227M82-L223 HydrophobicContact SD-CD2 3.69Å; R85-L223 HydrophobicContact CB-CD2 3.58Å; I89-L223 HydrophobicContact CD1-CD1 3.71Å; I89-L223 HydrophobicContact CD1-CD2 4.27Å; I89-L223 HydrophobicContact CD1-CG 4.18Å; E219-L223 PolarHBondContact O-N 2.7Å; I220-L223 WeakPolarHBondContact O-CB 3.4Å; I220-L223 PolarHBondContact O-N 3.41Å; T221-L223 VanDerWaalsContact C-N 3.35Å; T221-L223 PolarHBondContact O-N 3.14Å; L223-I226 PolarHBondContact O-N 3.32Å; L223-S227 WeakPolarHBondContact O-CB 3.4Å; L223-S227 PolarHBondContact O-N 3.36Å
224Q91.7Very high92.5Very high135 Ų13565.5 Ų65.563%0.63136%0.362SS*.Hα-helixtrans-62.3-45.8-178.8-62.8-179.6-12.100111.6T221 H222 I226 S227 E228T221-Q224 PolarHBondContact O-N 3.39Å; H222-Q224 VanDerWaalsContact C-N 3.29Å; H222-Q224 PolarHBondContact O-N 3.11Å; Q224-I226 PolarHBondContact O-N 3.41Å; Q224-S227 PolarHBondContact O-N 3.09Å; Q224-E228 PolarHBondContact O-N 2.97Å; Q224-E228 VanDerWaalsContact O-N 3.12Å
225T94.1Very high92.5Very high101 Ų10167.4 Ų67.462%0.6237%0.37SS*.Hα-helixtrans-60.7-45.1177.4-47.10000111.8S227 E228 D229T225-S227 VanDerWaalsContact C-N 3.32Å; T225-S227 PolarHBondContact O-N 2.74Å; T225-E228 PolarHBondContact O-N 2.72Å; T225-D229 VanDerWaalsContact O-CB 3.3Å; T225-D229 WeakPolarHBondContact O-CB 3.44Å; T225-D229 PolarHBondContact O-N 3.08Å
226I96.1Very high92.4Very high14 Ų1470.5 Ų70.57%0.07238%0.384CS..Hα-helixtrans-72.6-28.1-178.9-52.3161.5000111A78 R81 M82 R85 H222 L223 Q224 L230A78-I226 WeakPolarHBondContact O-CG2 3.44Å; R81-I226 HydrophobicContact CB-CD1 3.97Å; R81-I226 HydrophobicContact CB-CG1 4.29Å; R81-I226 HydrophobicContact CB-CG2 4.11Å; M82-I226 HydrophobicContact CB-CG2 3.97Å; M82-I226 HydrophobicContact CE-CB 3.87Å; M82-I226 HydrophobicContact CE-CG2 3.87Å; M82-I226 HydrophobicContact SD-CB 4.45Å; M82-I226 HydrophobicContact SD-CG2 4.43Å; R85-I226 HydrophobicContact CB-CD1 4.39Å; R85-I226 HydrophobicContact CG-CD1 3.56Å; H222-I226 WeakPolarHBondContact O-CG1 3.37Å; H222-I226 PolarHBondContact O-N 3.19Å; L223-I226 PolarHBondContact O-N 3.32Å; Q224-I226 PolarHBondContact O-N 3.41Å; I226-L230 HydrophobicContact CG2-CD1 4.26Å; I226-L230 HydrophobicContact CG2-CG 4.48Å; I226-L230 WeakPolarHBondContact O-CB 3.49Å; I226-L230 WeakPolarHBondContact O-CG 3.43Å; I226-L230 PolarHBondContact O-N 3.32Å
227S96.3Very high92.6Very high68 Ų6874.5 Ų74.548%0.47641%0.412SS..Hα-helixtrans-68.7-39.2174.6-171.20000112.6L223 Q224 T225 K231L223-S227 WeakPolarHBondContact O-CB 3.4Å; L223-S227 PolarHBondContact O-N 3.36Å; Q224-S227 PolarHBondContact O-N 3.09Å; T225-S227 VanDerWaalsContact C-N 3.32Å; T225-S227 PolarHBondContact O-N 2.74Å; S227-K231 VanDerWaalsContact O-CB 3.29Å; S227-K231 WeakPolarHBondContact O-CB 3.43Å; S227-K231 PolarHBondContact O-N 3.41Å
228E95.8Very high92.9Very high107 Ų10778.6 Ų78.650%0.543%0.428SS..Hα-helixtrans-74.8-36.8177.1-17159.5-148.300111.4Q224 T225 K231 S232Q224-E228 PolarHBondContact O-N 2.97Å; Q224-E228 VanDerWaalsContact O-N 3.12Å; T225-E228 PolarHBondContact O-N 2.72Å; E228-K231 PolarHBondContact O-N 3.06Å; E228-K231 IonicContact OE1-NZ 3.81Å; E228-K231 PolarHBondContact OE1-NZ 3.47Å; E228-K231 IonicContact OE2-NZ 2.83Å; E228-K231 PolarHBondContact OE2-NZ 3.3Å; E228-S232 PolarHBondContact O-N 3.16Å
229D95.9Very high93.2Very high43 Ų4383.9 Ų83.923%0.2344%0.44CS..Hα-helixtrans-54.8-56.6168.5173.829.3000111.2R81 T225 K231 S232 L233R81-D229 IonicContact CZ-OD2 2.9Å; R81-D229 IonicContact NE-OD2 3.27Å; R81-D229 PolarHBondContact NE-OD2 2.88Å; R81-D229 IonicContact NH2-OD1 3.65Å; R81-D229 IonicContact NH2-OD2 2.7Å; R81-D229 PolarHBondContact NH2-OD2 3.31Å; T225-D229 VanDerWaalsContact O-CB 3.3Å; T225-D229 WeakPolarHBondContact O-CB 3.44Å; T225-D229 PolarHBondContact O-N 3.08Å; D229-K231 VanDerWaalsContact C-N 3.31Å; D229-K231 PolarHBondContact O-N 3.49Å; D229-S232 PolarHBondContact O-N 3.37Å; D229-S232 VanDerWaalsContact O-N 3.08Å; D229-S232 PolarHBondContact O-OG 3.34Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 2.97Å; D229-L233 WeakPolarHBondContact OD1-CD1 3.38Å
230L97.2Very high93.5Very high27 Ų2786.2 Ų86.214%0.14145%0.453CS..Hα-helixtrans-56.8-40.8175.2-79.6167.7000113.1I75 A78 L79 M82 I226 L233 T234I75-L230 HydrophobicContact CG2-CD2 4.44Å; A78-L230 HydrophobicContact CB-CD2 3.55Å; A78-L230 HydrophobicContact CB-CG 3.9Å; L79-L230 HydrophobicContact CD2-CD1 4.2Å; L79-L230 HydrophobicContact CD2-CD2 3.88Å; L79-L230 HydrophobicContact CG-CD2 3.99Å; M82-L230 HydrophobicContact CB-CD1 4.37Å; M82-L230 HydrophobicContact CE-CD1 3.81Å; I226-L230 HydrophobicContact CG2-CD1 4.26Å; I226-L230 HydrophobicContact CG2-CG 4.48Å; I226-L230 WeakPolarHBondContact O-CB 3.49Å; I226-L230 WeakPolarHBondContact O-CG 3.43Å; I226-L230 PolarHBondContact O-N 3.32Å; L230-L233 PolarHBondContact O-N 2.92Å; L230-T234 WeakPolarHBondContact O-CB 3.18Å; L230-T234 WeakPolarHBondContact O-CG2 3.36Å; L230-T234 PolarHBondContact O-N 2.98Å; L230-T234 VanDerWaalsContact O-N 3.14Å; L230-T234 PolarHBondContact O-OG1 2.76Å
231K97.3Very high94.1Very high109 Ų10985.6 Ų85.647%0.47445%0.454SS..Hα-helixtrans-62.7-42.2175.5165.5167.1160.8-94.70111.6S227 E228 D229 T234 M235S227-K231 VanDerWaalsContact O-CB 3.29Å; S227-K231 WeakPolarHBondContact O-CB 3.43Å; S227-K231 PolarHBondContact O-N 3.41Å; E228-K231 PolarHBondContact O-N 3.06Å; E228-K231 IonicContact OE1-NZ 3.81Å; E228-K231 PolarHBondContact OE1-NZ 3.47Å; E228-K231 IonicContact OE2-NZ 2.83Å; E228-K231 PolarHBondContact OE2-NZ 3.3Å; D229-K231 VanDerWaalsContact C-N 3.31Å; D229-K231 PolarHBondContact O-N 3.49Å; K231-T234 PolarHBondContact O-N 3.08Å; K231-T234 PolarHBondContact O-OG1 3.13Å; K231-M235 WeakPolarHBondContact O-CG 3.34Å; K231-M235 PolarHBondContact O-N 3.37Å
232S96.6Very high94.4Very high69 Ų6986.4 Ų86.448%0.48346%0.463SS..Hα-helixtrans-65.7-40.2175.877.90000112.6E228 D229 T234 M235E228-S232 PolarHBondContact O-N 3.16Å; D229-S232 PolarHBondContact O-N 3.37Å; D229-S232 VanDerWaalsContact O-N 3.08Å; D229-S232 PolarHBondContact O-OG 3.34Å; S232-T234 PolarHBondContact O-N 3.2Å; S232-M235 WeakPolarHBondContact O-CG 3.26Å
233L96Very high94.4Very high51 Ų5184.5 Ų84.527%0.26746%0.458SS..Hα-helixtrans-72.9-10.6178.6-66.4170.7000114E74 I75 A78 D229 L230E74-L233 HydrophobicContact CB-CD2 3.95Å; I75-L233 WeakPolarHBondContact CD1-O 3.38Å; I75-L233 HydrophobicContact CG1-CB 3.92Å; A78-L233 HydrophobicContact CB-CD1 3.7Å; D229-L233 WeakPolarHBondContact O-CG 3.43Å; D229-L233 PolarHBondContact O-N 2.97Å; D229-L233 WeakPolarHBondContact OD1-CD1 3.38Å; L230-L233 PolarHBondContact O-N 2.92Å
234T96Very high94.5Very high72 Ų7283.9 Ų83.944%0.44246%0.456SS..THydrogen-bonded Turntrans-116.612.6-179.152.90000113.7I75 L230 K231 S232I75-T234 HydrophobicContact CD1-CG2 3.99Å; I75-T234 HydrophobicContact CG1-CG2 4.31Å; L230-T234 WeakPolarHBondContact O-CB 3.18Å; L230-T234 WeakPolarHBondContact O-CG2 3.36Å; L230-T234 PolarHBondContact O-N 2.98Å; L230-T234 VanDerWaalsContact O-N 3.14Å; L230-T234 PolarHBondContact O-OG1 2.76Å; K231-T234 PolarHBondContact O-N 3.08Å; K231-T234 PolarHBondContact O-OG1 3.13Å; S232-T234 PolarHBondContact O-N 3.2Å
235M93.8Very high94.6Very high123 Ų12382.2 Ų82.261%0.60645%0.449SS*.SBendtrans-61.9146.8171.2-68.7-61.1-60.900111.9K231 S232K231-M235 WeakPolarHBondContact O-CG 3.34Å; K231-M235 PolarHBondContact O-N 3.37Å; S232-M235 WeakPolarHBondContact O-CG 3.26Å
236D91.8Very high94.4Very high101 Ų10182 Ų8254%0.5444%0.441SS..SBendtrans43.159177.6-63.1-12.6000115H238 K239D236-H238 PolarHBondContact O-N 3.22Å; D236-K239 HydrophobicContact CB-CB 4.11Å; D236-K239 WeakPolarHBondContact O-CB 3.36Å; D236-K239 PolarHBondContact O-N 3.2Å
237P94.2Very high94.1Very high107 Ų10783.6 Ų83.670%0.69545%0.451SS*.THydrogen-bonded Turntrans-65-2.6-171.328.3-37.7000115.6
238H95.3Very high93.7Very high191 Ų19185.4 Ų85.488%0.88445%0.454SS*.THydrogen-bonded Turntrans-99.82.4172.8-59.1-51.1000113.4D236D236-H238 PolarHBondContact O-N 3.22Å
239K93.9Very high93.4Very high148 Ų14885.3 Ų85.364%0.64346%0.457SS*.SBendtrans-114.7144.5177.1-173.8-177.7174-172.40109.4D236D236-K239 HydrophobicContact CB-CB 4.11Å; D236-K239 WeakPolarHBondContact O-CB 3.36Å; D236-K239 PolarHBondContact O-N 3.2Å
240L92Very high92.8Very high85 Ų8587.6 Ų87.645%0.44547%0.469SS..  trans-75.3128.5173-142.879.1000109.5E245 I248L240-E245 HydrophobicContact CB-CG 4.22Å; L240-E245 HydrophobicContact CD2-CG 3.84Å; L240-E245 HydrophobicContact CG-CG 4.44Å; L240-I248 HydrophobicContact CD2-CD1 3.6Å
241P93.9Very high92Very high63 Ų6389.8 Ų89.841%0.40948%0.48SS..  trans-75.1155.5171.930.5-34.5000110.6S243 S244 E245P241-S243 VanDerWaalsContact C-N 3.26Å; P241-S243 PolarHBondContact O-N 3.23Å; P241-S244 CarbonylContact O-C 3.58Å; P241-S244 WeakPolarHBondContact O-CA 3.24Å; P241-S244 WeakPolarHBondContact O-CB 3.45Å; P241-S244 PolarHBondContact O-N 3.46Å; P241-E245 PolarHBondContact O-N 3.36Å
242S91.9Very high90.5Very high92 Ų9293.6 Ų93.664%0.64350%0.497SS*.Hα-helixtrans-59.5-33.2-178.5510000113.5S244 E245 Q246S242-S244 PolarHBondContact O-N 2.93Å; S242-E245 PolarHBondContact O-N 3.08Å; S242-Q246 PolarHBondContact O-N 2.81Å
243S91Very high88.9Confident38 Ų3893.7 Ų93.727%0.26651%0.509SS..Hα-helixtrans-64.5-22.1173.156.10000113.2G70 G71 E74 P241G70-S243 WeakPolarHBondContact CA-O 3.42Å; G71-S243 VanDerWaalsContact CA-OG 3.26Å; G71-S243 WeakPolarHBondContact CA-OG 3.35Å; G71-S243 PolarHBondContact N-OG 3.47Å; E74-S243 VanDerWaalsContact OE2-CB 3.31Å; E74-S243 WeakPolarHBondContact OE2-CB 3.18Å; E74-S243 PolarHBondContact OE2-OG 3.49Å; P241-S243 VanDerWaalsContact C-N 3.26Å; P241-S243 PolarHBondContact O-N 3.23Å
244S93.7Very high87.3Confident17 Ų1793.4 Ų93.412%0.11951%0.511CS..Hα-helixtrans-91.3-32.7170.1-66.50000113.2G70 G71 P241 S242 Q246 V247G70-S244 WeakPolarHBondContact CA-OG 3.45Å; G71-S244 PolarHBondContact N-OG 3.1Å; P241-S244 CarbonylContact O-C 3.58Å; P241-S244 WeakPolarHBondContact O-CA 3.24Å; P241-S244 WeakPolarHBondContact O-CB 3.45Å; P241-S244 PolarHBondContact O-N 3.46Å; S242-S244 PolarHBondContact O-N 2.93Å; S244-Q246 VanDerWaalsContact C-N 3.31Å; S244-Q246 PolarHBondContact O-N 3.45Å; S244-V247 PolarHBondContact O-N 3.18Å
245E93.4Very high85.3Confident100 Ų10098.4 Ų98.447%0.46754%0.535SS..Hα-helixtrans-61.7-39.4172.8-68.1-177.3150.800111.5L240 P241 S242 V247 I248 L249L240-E245 HydrophobicContact CB-CG 4.22Å; L240-E245 HydrophobicContact CD2-CG 3.84Å; L240-E245 HydrophobicContact CG-CG 4.44Å; P241-E245 PolarHBondContact O-N 3.36Å; S242-E245 PolarHBondContact O-N 3.08Å; E245-V247 VanDerWaalsContact C-N 3.26Å; E245-V247 PolarHBondContact O-N 2.94Å; E245-I248 WeakPolarHBondContact O-CB 3.44Å; E245-I248 PolarHBondContact O-N 3.28Å; E245-L249 PolarHBondContact O-N 2.68Å; E245-L249 VanDerWaalsContact O-N 3.14Å
246Q89.9Confident83.5Confident97 Ų9799 Ų9945%0.45353%0.532SS..Hα-helixtrans-57-38.5177-170.861.142.500112.4S242 S244 I248 L249 D250S242-Q246 PolarHBondContact O-N 2.81Å; S244-Q246 VanDerWaalsContact C-N 3.31Å; S244-Q246 PolarHBondContact O-N 3.45Å; Q246-I248 PolarHBondContact O-N 3.07Å; Q246-L249 WeakPolarHBondContact O-CB 3.36Å; Q246-L249 PolarHBondContact O-N 2.75Å; Q246-D250 PolarHBondContact NE2-OD1 3.16Å; Q246-D250 PolarHBondContact O-N 3.32Å
247V90.1Very high81.6Confident48 Ų4899.3 Ų99.329%0.29154%0.542SS..Hα-helixtrans-61.7-30.6177.2-1770000112R69 S244 E245 L251R69-V247 HydrophobicContact CB-CG1 4.23Å; S244-V247 PolarHBondContact O-N 3.18Å; E245-V247 VanDerWaalsContact C-N 3.26Å; E245-V247 PolarHBondContact O-N 2.94Å; V247-L251 WeakPolarHBondContact O-CB 3.44Å; V247-L251 PolarHBondContact O-N 3.33Å
248I88.4Confident80Confident105 Ų105101 Ų10154%0.53853%0.534SS..Hα-helixtrans-76.2-37.7175.8-55.6175.8000110.4L240 E245 Q246 K252L240-I248 HydrophobicContact CD2-CD1 3.6Å; E245-I248 WeakPolarHBondContact O-CB 3.44Å; E245-I248 PolarHBondContact O-N 3.28Å; Q246-I248 PolarHBondContact O-N 3.07Å; I248-K252 PolarHBondContact O-N 2.93Å
249L88.5Confident78Confident105 Ų10596.7 Ų96.755%0.5553%0.526SS..Hα-helixtrans-67.2-45.2176.2-62.7176000111.8E245 Q246 L251 K252 G253E245-L249 PolarHBondContact O-N 2.68Å; E245-L249 VanDerWaalsContact O-N 3.14Å; Q246-L249 WeakPolarHBondContact O-CB 3.36Å; Q246-L249 PolarHBondContact O-N 2.75Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.07Å; L249-K252 WeakPolarHBondContact O-CB 3.29Å; L249-K252 PolarHBondContact O-N 3.45Å; L249-K252 VanDerWaalsContact O-N 3.08Å; L249-G253 PolarHBondContact O-N 3.07Å
250D83.9Confident76.1Confident92 Ų9299.3 Ų99.349%0.49253%0.533SS..Hα-helixtrans-61.6-40.3177.6-62.9-21.9000111.6Q246 K252 G253 S254Q246-D250 PolarHBondContact NE2-OD1 3.16Å; Q246-D250 PolarHBondContact O-N 3.32Å; D250-K252 VanDerWaalsContact C-N 3.27Å; D250-K252 PolarHBondContact O-N 3.48Å; D250-G253 PolarHBondContact O-N 3.12Å; D250-S254 PolarHBondContact O-OG 3.33Å
251L80.3Confident74.1Confident73 Ų73104 Ų10438%0.38255%0.552SS.*Hα-helixtrans-66-29175.8-172.664.5000112.4V247 L249 G253 Y256 W258V247-L251 WeakPolarHBondContact O-CB 3.44Å; V247-L251 PolarHBondContact O-N 3.33Å; L249-L251 VanDerWaalsContact C-N 3.32Å; L249-L251 PolarHBondContact O-N 3.07Å; L251-G253 VanDerWaalsContact C-N 3.27Å; L251-G253 PolarHBondContact O-N 2.97Å; L251-Y256 HydrophobicContact CD1-CD2 3.73Å; L251-Y256 HydrophobicContact CD1-CE2 4.39Å; L251-Y256 HydrophobicContact CD1-CG 4.02Å; L251-W258 HydrophobicContact CD1-CZ2 4.27Å
252K66.4Low72.3Confident188 Ų188106.3 Ų106.382%0.81757%0.566SS**Hα-helixtrans-75.1-16.3177.3-164.2177.7179.4-1770113I248 L249 D250I248-K252 PolarHBondContact O-N 2.93Å; L249-K252 WeakPolarHBondContact O-CB 3.29Å; L249-K252 PolarHBondContact O-N 3.45Å; L249-K252 VanDerWaalsContact O-N 3.08Å; D250-K252 VanDerWaalsContact C-N 3.27Å; D250-K252 PolarHBondContact O-N 3.48Å
253G62.2Low70.9Confident71 Ų71107 Ų10773%0.73257%0.568SS**THydrogen-bonded Turntrans-102.111.8177.500000115L249 D250 L251L249-G253 PolarHBondContact O-N 3.07Å; D250-G253 PolarHBondContact O-N 3.12Å; L251-G253 VanDerWaalsContact C-N 3.27Å; L251-G253 PolarHBondContact O-N 2.97Å
254S61.9Low69.4Low45 Ų45110.8 Ų110.832%0.31559%0.592SS.*SBendtrans-138135.4-173.144.40000113.5D250 Y256D250-S254 PolarHBondContact O-OG 3.33Å; S254-Y256 PolarHBondContact O-N 2.87Å; S254-Y256 WeakPolarHBondContact OG-CD2 3.43Å; S254-Y256 WeakPolarHBondContact OG-CE2 3.37Å
255D54.8Low67.6Low177 Ų177115.4 Ų115.495%0.94762%0.624SS**  trans-74.357.1-176.2-65.4-54000113.3S257D255-S257 PolarHBondContact O-N 3.09Å
256Y56Low65.9Low136 Ų136115.6 Ų115.653%0.53364%0.637SS.*  trans-71.393177.2-88.4-86.2000111.9L251 S254 W258L251-Y256 HydrophobicContact CD1-CD2 3.73Å; L251-Y256 HydrophobicContact CD1-CE2 4.39Å; L251-Y256 HydrophobicContact CD1-CG 4.02Å; S254-Y256 PolarHBondContact O-N 2.87Å; S254-Y256 WeakPolarHBondContact OG-CD2 3.43Å; S254-Y256 WeakPolarHBondContact OG-CE2 3.37Å; Y256-W258 VanDerWaalsContact C-N 3.27Å; Y256-W258 HydrophobicContact CD1-CZ2 4.19Å; Y256-W258 VanDerWaalsContact O-CD1 3.31Å; Y256-W258 PolarHBondContact O-N 2.98Å
257S51.7Low64.2Low108 Ų108117 Ų11776%0.75565%0.654SS**  trans-65.286.6160.7-173.80000109.9D255 S259D255-S257 PolarHBondContact O-N 3.09Å; S257-S259 VanDerWaalsContact C-N 3.27Å; S257-S259 PolarHBondContact O-N 3.45Å
258W61.1Low62.2Low142 Ų142119.8 Ų119.854%0.53868%0.675SS.*  trans-70.486169.8-68.2100.4000109.2L251 Y256 Y260L251-W258 HydrophobicContact CD1-CZ2 4.27Å; Y256-W258 VanDerWaalsContact C-N 3.27Å; Y256-W258 HydrophobicContact CD1-CZ2 4.19Å; Y256-W258 VanDerWaalsContact O-CD1 3.31Å; Y256-W258 PolarHBondContact O-N 2.98Å; W258-Y260 HydrophobicContact CB-CD2 4.3Å; W258-Y260 HydrophobicContact CB-CE2 4.03Å; W258-Y260 WeakPolarHBondContact O-CD2 3.37Å; W258-Y260 PolarHBondContact O-N 3.42Å
259S53.8Low60.4Low101 Ų101121.1 Ų121.171%0.70669%0.689SS**  trans-67.784.4171.261.10000109.5S257 Q261S257-S259 VanDerWaalsContact C-N 3.27Å; S257-S259 PolarHBondContact O-N 3.45Å; S259-Q261 VanDerWaalsContact C-N 3.34Å; S259-Q261 PolarHBondContact O-N 3.24Å
260Y54Low58.6Low203 Ų203123.2 Ų123.280%0.79671%0.706SS**  trans-57.9101.3165.7-77.3-87.8000107.7W258 T262W258-Y260 HydrophobicContact CB-CD2 4.3Å; W258-Y260 HydrophobicContact CB-CE2 4.03Å; W258-Y260 WeakPolarHBondContact O-CD2 3.37Å; W258-Y260 PolarHBondContact O-N 3.42Å; Y260-T262 PolarHBondContact O-N 3.2Å
261Q48.5Very low57.1Low182 Ų182126.3 Ų126.385%0.8572%0.719SS**  trans-75.581.4-178.5-168.7170.59.300108.5S259S259-Q261 VanDerWaalsContact C-N 3.34Å; S259-Q261 PolarHBondContact O-N 3.24Å
262T56.9Low55.3Low113 Ų113128.8 Ų128.869%0.69374%0.743SS**  trans-45.6126.7168.5-50.50000107.9Y260Y260-T262 PolarHBondContact O-N 3.2Å
263P62.2Low54.7Low105 Ų105130.2 Ų130.268%0.68274%0.743SS**PPolyproline II helixtrans-54.9132.9-177.221.6-32.9000109S265P263-S265 PolarHBondContact O-N 3.49Å
264P60.2Low53.9Low118 Ų118135.8 Ų135.877%0.76675%0.748SS**PPolyproline II helixtrans-57.1126.4-171.322.5-33.2000109.5S266P264-S266 PolarHBondContact O-N 2.95Å
265S55.4Low53.2Low114 Ų114139.2 Ų139.280%0.79777%0.771SS**PPolyproline II helixtrans-51.4132.5-178.3-51.50000109.9P263P263-S265 PolarHBondContact O-N 3.49Å
266S58.5Low52.6Low105 Ų105136.2 Ų136.273%0.73476%0.764SS**PPolyproline II helixtrans-48.8136.3-175.9-52.10000110.9P264 S268P264-S266 PolarHBondContact O-N 2.95Å; S266-S268 PolarHBondContact O-N 2.87Å
267P52.9Low52Low125 Ų125136.4 Ų136.481%0.81278%0.779SS**  trans-58.8110.3-167.922.4-33.6000110.6T269P267-T269 PolarHBondContact O-N 3.17Å
268S49.6Very low51.5Low107 Ų107137.1 Ų137.175%0.74878%0.783SS**  trans-62.7112180-68.40000109.3S266 T270S266-S268 PolarHBondContact O-N 2.87Å; S268-T270 PolarHBondContact O-N 3.37Å; S268-T270 VanDerWaalsContact O-N 3.12Å
269T49.3Very low50.6Low134 Ų134136.2 Ų136.282%0.82280%0.798SS**  trans-58.5115.8-176.7500000110.6P267 M271P267-T269 PolarHBondContact O-N 3.17Å; T269-M271 PolarHBondContact O-N 3.43Å
270T50.5Low49.9Very low148 Ų148136.8 Ų136.891%0.90880%0.802SS**SBendtrans-75.563.1-171.333.40000113.5S268S268-T270 PolarHBondContact O-N 3.37Å; S268-T270 VanDerWaalsContact O-N 3.12Å
271M54.1Low49.4Very low157 Ų157134.7 Ų134.777%0.77380%0.804SS**  trans-143.463.5171.7-165.767.9104.900113T269T269-M271 PolarHBondContact O-N 3.43Å
272S42.2Very low48.9Very low126 Ų126133.2 Ų133.288%0.88180%0.802SS**  trans-153.8144.9148.9-88.40000110.4
273R53.3Low47.9Very low218 Ų218133.7 Ų133.782%0.82381%0.81SS**  trans-116.9149.9-168-58.8-179177.8-166.4-1.6110.9
274K44.2Very low46.8Very low188 Ų188134.6 Ų134.682%0.81781%0.813SS**  trans84.2118.1161.7-57.7151170.5-74.70117.4
275S48Very low45.6Very low116 Ų116135.8 Ų135.881%0.81181%0.813SS**  trans49.8117.2136630000121.1
276S42.4Very low44.5Very low115 Ų115134.9 Ų134.980%0.80481%0.807SS**  -153.9141.6106.654.40000110.8
277V44.1Very low43.4Very low140 Ų140135.1 Ų135.185%0.84881%0.808SS**  trans-91131.6166.3-78.50000109.5
278C40.1Very low42.5Very low123 Ų123135.8 Ų135.883%0.83181%0.805SS**  trans-156.3102.4159.4-1040000109.9
279S42.2Very low41.7Very low123 Ų123136.5 Ų136.586%0.8681%0.81SS**  trans-73.1136160.8-52.50000108.5
280S39.8Very low41.2Very low112 Ų112141.1 Ų141.178%0.78381%0.812SS**  trans-149.6111.1169.7-70.60000109.3
281L42.3Very low40.5Very low160 Ų160139.4 Ų139.484%0.83881%0.807SS**  trans-90.2155.9173.5-70.7167.6000110
282N38.7Very low39.6Very low150 Ų150137.3 Ų137.380%0.80281%0.807SS**  trans38.8114.1155.7-62.22.6000118.8
283S36Very low39Very low123 Ų123135 Ų13586%0.8680%0.803SS**  trans-123.8134.7136.148.10000109.2
284V38.5Very low38.2Very low124 Ų124129.6 Ų129.675%0.75280%0.799SS**  trans-110177.4170.9-69.30000108.8
285N36.3Very low37.7Very low144 Ų144129 Ų12977%0.7780%0.799SS**  trans80.6109.7172.7-76.843.9000118.4
286S31.3Very low36.9Very low95 Ų95127.3 Ų127.366%0.66479%0.787SS**  99.4102.2117.7-66.30000120.3
287S35.6Very low36.4Very low110 Ų110130.4 Ų130.477%0.76979%0.788SS**  84.4129.5115.5-560000120.6
288D33.1Very low36.2Very low139 Ų139129 Ų12974%0.74379%0.785SS**  trans38122.3143.5-100.7-59.2000120.7
289S33Very low36.4Very low121 Ų121129.3 Ų129.385%0.84679%0.785SS**  -164.1154.8101.6-83.60000113.3
290R40.2Very low36.1Very low231 Ų231128.6 Ų128.687%0.87278%0.78SS**  trans-97.5126.6179.7-62.815458.7-162.90.3111
291S34.9Very low35.7Very low113 Ų113128.8 Ų128.879%0.7978%0.781SS**  trans-160.9118.7160.2-167.20000107.9
292S35Very low35.6Very low112 Ų112129.7 Ų129.778%0.78378%0.781SS**  cis98.3112.740.9-69.30000112.2
293G30.5Very low35.1Very low78 Ų78131.9 Ų131.980%0.80478%0.779SS**  trans80.6154.8175.700000114.9
294S35.6Very low34.9Very low104 Ų104135.7 Ų135.773%0.72778%0.775SS**  cis-168.5158.4-13.246.10000110.2
295H33.9Very low34.3Very low176 Ų176139.8 Ų139.882%0.81578%0.779SS**  trans17.4142149.6-54.3-48.6000120.7
296S31.1Very low33.9Very low81 Ų81144.6 Ų144.657%0.56679%0.786SS**  cis-176.4-168.40.3-99.10000108.2
297H32.9Very low33.8Very low179 Ų179143.2 Ų143.283%0.82978%0.776SS**  trans83.399.1160.3-48.3-74.8000118.5
298S38.6Very low33.5Very low110 Ų110142.6 Ų142.677%0.76977%0.772SS**  trans-70.7165.8137.7-44.70000109.9
299P45.2Very low33.3Very low131 Ų131143.2 Ų143.285%0.85178%0.775SS**  -138.1170.996.338.6-27.9000114.3
300S34.9Very low33Very low107 Ų107145.4 Ų145.475%0.74878%0.776SS**  trans-116.9146.4175.3173.90000111
301S32.1Very low32.3Very low116 Ų116139.7 Ų139.781%0.81177%0.767SS**  trans-161.9126.6157.260.30000112.1
302H39.8Very low32Very low179 Ų179142.4 Ų142.483%0.82977%0.768SS**  trans-90.7146.2167.1-67.4-91.1000111
303Y29Very low31.6Very low196 Ų196145.8 Ų145.877%0.76977%0.771SS**  trans-151.4123.3158.9-119.4-91.2000115
304R31.1Very low31.6Very low203 Ų203146.2 Ų146.277%0.76677%0.767SS**  trans27.6111.8156.5-57.1-176.4-164176.910.9122.9
305Y26.7Very low32.3Very low211 Ų211146.7 Ų146.783%0.82777%0.767SS**  32.6124.5113.5-157.4-86.9000121.8S307Y305-S307 WeakPolarHBondContact CE1-OG 3.46Å; Y305-S307 PolarHBondContact OH-OG 3.06Å
306R27.7Very low32.2Very low245 Ų245144.4 Ų144.493%0.92577%0.765SS**  trans-155.1154.4147.7-179.4170.6-80.1-106.23.6110
307S28.2Very low32.5Very low66 Ų66150.4 Ų150.446%0.46278%0.776SS.*  trans-111.3174.4-164.2-46.10000116.3Y305Y305-S307 WeakPolarHBondContact CE1-OG 3.46Å; Y305-S307 PolarHBondContact OH-OG 3.06Å
308S30.8Very low32.5Very low96 Ų96148.1 Ų148.167%0.67177%0.769SS**  trans84112.8141.454.90000122.9
309N27.9Very low32Very low152 Ų152147 Ų14781%0.81376%0.761SS**  73.5120.7128.9-52.80.1000121.6
310L27.3Very low31.2Very low168 Ų168146.2 Ų146.288%0.8876%0.759SS**  -163.4163.9109.4-136.262000115.3
311T24.6Very low30.8Very low110 Ų110147.1 Ų147.168%0.67576%0.76SS**  trans-63158.3-170.854.70000120.2
312Q28.9Very low30.7Very low171 Ų171146.8 Ų146.880%0.79976%0.757SS**  -174.5139.2115.9-93.9168.323.400108.4
313Q26.9Very low30.3Very low182 Ų182142 Ų14285%0.8574%0.743SS**  62.4136.861.5-73.7-168.7-8.900114.3
314A30Very low30.5Very low87 Ų87141.5 Ų141.572%0.71975%0.748SS**  cis-163.3-133.5-12.300000108.5
315P50.2Low30.3Very low114 Ų114138.5 Ų138.574%0.7475%0.747SS**  -117.9-179.2-75.438.7-27.2000114
316V33.1Very low30.9Very low128 Ų128133.4 Ų133.478%0.77674%0.743SS**  trans177.5104.2133.3149.30000106.3
317R35.8Very low31.1Very low207 Ų207125.7 Ų125.778%0.78174%0.739SS**  71.2136.386.5-82-169.5174.6-148.5-0.6113.5
318L33.3Very low31.3Very low132 Ų132131.5 Ų131.569%0.69176%0.757SS**  cis-154.8144.218.2-117.9163000114
319S28.7Very low31.4Very low85 Ų85134.4 Ų134.459%0.59476%0.763SS**  trans38.2118.9144.761.70000122.5
320S27.9Very low31.6Very low115 Ų115131.3 Ų131.380%0.80475%0.753SS**  86.6157.288-51.70000113.4
321V27.8Very low31.9Very low127 Ų127131.6 Ų131.677%0.7775%0.75SS**  cis-162.7136.543166.10000111
322S28.1Very low32.2Very low109 Ų109132 Ų13276%0.76275%0.748SS**  trans54.1164.1155.3-950000122
323S32.8Very low32.4Very low77 Ų77126.8 Ų126.854%0.53873%0.734SS.*  cis178.4151.4-28.950.60000111.1
324H32.9Very low32.7Very low186 Ų186126.5 Ų126.586%0.86173%0.73SS**  trans68.9158.1150.1-67.3-1.5000116.8
325D27Very low32.7Very low140 Ų140129.7 Ų129.775%0.74973%0.731SS**  cis-154.4170.5-14.2172.543.7000109.6
326S38.9Very low31.8Very low105 Ų105128.9 Ų128.973%0.73473%0.727SS**  trans-21147.9169.8-52.50000120.2
327G32.7Very low31.5Very low83 Ų83132.2 Ų132.286%0.85673%0.731SS**  trans-152122.6161.900000112
328F32.8Very low31.3Very low188 Ų188127.6 Ų127.683%0.82573%0.731SS**  trans-140.6124.3-171.6-178.8-74.2000111.5
329I30.9Very low31.8Very low156 Ų156127 Ų12780%0.874%0.735SS**  trans-168.3133.1158.933.3175.6000106.4
330S33.5Very low31.8Very low87 Ų87128.3 Ų128.361%0.60874%0.744SS**  68.1130.255.4-48.70000111.5
331Q33.6Very low32.3Very low174 Ų174128.9 Ų128.981%0.81375%0.745SS**  cis-153.6168.530.4-106.9-164.1-75.900109.7
332D30.6Very low32.3Very low120 Ų120131 Ų13164%0.64275%0.748SS**  cis-154.1-136.5-1.2-157-102.7000112
333A33.3Very low33.5Very low61 Ų61130.8 Ų130.850%0.50475%0.745SS.*  trans-92.4-178.4-173.700000114.7
334F32.8Very low34.1Very low175 Ų175132.5 Ų132.577%0.76875%0.754SS**  cis-160164.234-55.1-92.5000110.5
335Q30.2Very low33.8Very low155 Ų155131.9 Ų131.972%0.72475%0.751SS**  cis-166.4127.2-14.3-114.7-175.195.300111.7
336S30.3Very low33.8Very low96 Ų96129.6 Ų129.667%0.67175%0.752SS**  trans67.2155.3142.982.10000120.3
337K27.5Very low33.9Very low199 Ų199129.7 Ų129.787%0.86575%0.75SS**  cis-142.2163.719.3-65.4175.3-179.2174.80113.1
338S30.8Very low33.6Very low110 Ų110132.6 Ų132.677%0.76975%0.746SS**  trans-101.1-170.7170.370.40000110.7
339P45.6Very low33.2Very low119 Ų119130.7 Ų130.777%0.77374%0.74SS**  cis-141.5-174.839.242-20.5000117.6
340S28Very low33Very low112 Ų112130.6 Ų130.678%0.78374%0.74SS**  trans-82.1173.2176.4-400000113.9
341P38.6Very low32.6Very low127 Ų127130.4 Ų130.483%0.82574%0.739SS**  -151.7-172.882.440-19.3000117.5
342M27.3Very low32.3Very low172 Ų172129.8 Ų129.885%0.84774%0.741SS**  trans-119.6-178.2175.1-88.2-91.1-75.100109.8
343P54.4Low32.1Very low105 Ų105127.4 Ų127.468%0.68274%0.744SS**  cis-123.1-136.80.830.6-4000110.3
344P44.2Very low31.7Very low112 Ų112134.2 Ų134.273%0.72776%0.763SS**  cis-141.2-150.7-7.646.2-24.1000117.3
345E26.7Very low31.4Very low173 Ų173129.5 Ų129.581%0.80875%0.752SS**  trans-59.2152.8-177.5-70.2143.612200118.2
346A28.2Very low31.1Very low92 Ų92129.9 Ų129.976%0.7675%0.753SS**  cis95.9164.142.800000113.4
347P40Very low30.9Very low108 Ų108134.8 Ų134.870%0.70176%0.759SS**  cis-137.1-157.51.243.8-23.8000115.8
348N26.6Very low30.7Very low143 Ų143129.9 Ų129.977%0.76575%0.749SS**  trans94.7147.4164.4-63-22.4000120.5
349Q23.9Very low30.6Very low149 Ų149132.1 Ų132.170%0.69675%0.752SS**  cis174.1124.3-38.5-97.5-100.520.600109.1
350L27.5Very low29.7Very low154 Ų154131.2 Ų131.281%0.80675%0.748SS**  trans37162.8140.3-62.1-166.2000123.3
351S24.9Very low29.6Very low83 Ų83130.1 Ų130.158%0.5874%0.74SS**  cis-176.2160.2-17.5177.60000111.4
352N27.5Very low29.1Very low161 Ų161130.6 Ų130.686%0.86173%0.732SS**  trans55.7176156-73.90.1000120.7
353G25.8Very low28.9Very low69 Ų69128.1 Ų128.171%0.71173%0.731SS**  cis151.391.2-18.900000118.2
354F25.5Very low27.6Very low204 Ų204130 Ų13090%0.89573%0.731SS**  trans69.4116.9146-125.9-120.9000125.3
355S26.6Very low26.9Very low77 Ų77131.9 Ų131.954%0.53874%0.74SS.*  trans66.9129.7134.7-62.90000126
356H24Very low27Very low163 Ų163126.7 Ų126.776%0.75573%0.733SS**  168.5125.1111.9-102-94.3000117
357Y25Very low27.4Very low199 Ų199128.1 Ų128.178%0.7873%0.734SS**  trans70.4132.3136.1-86.5-129.4000126.9
358S24.5Very low26.8Very low96 Ų96129.4 Ų129.467%0.67174%0.74SS**  trans68.8153.8136.4-69.40000123
359L26.9Very low26.8Very low156 Ų156126 Ų12682%0.81774%0.739SS**  cis-171.9178.4-31.5-130166.9000109.5
360S27.2Very low27Very low101 Ų101124.2 Ų124.271%0.70675%0.749SS**  trans73.3152.9166-74.60000117.5
361S26.2Very low26.9Very low88 Ų88120.3 Ų120.362%0.61575%0.746SS**  cis-162.4167.7-5.7-98.60000108.9
362E27.7Very low27Very low138 Ų138125 Ų12565%0.64576%0.764SS**  cis171.5144.7-15.1175.7179.5153.700111.2H364E362-H364 WeakPolarHBondContact CG-NE2 3.37Å; E362-H364 IonicContact OE1-CD2 3.92Å; E362-H364 IonicContact OE1-CE1 2.78Å; E362-H364 PolarHBondContact OE1-CE1 3.38Å; E362-H364 VanDerWaalsContact OE1-CE1 3.26Å; E362-H364 IonicContact OE1-NE2 2.7Å; E362-H364 PolarHBondContact OE1-NE2 3.17Å
363S22.7Very low27Very low119 Ų119126.2 Ų126.283%0.83276%0.762SS**  trans-162.9146.2160.963.60000111.2
364H28.5Very low27.7Very low145 Ų145128.2 Ų128.267%0.67176%0.763SS**  trans-118.8146.3-166.8-51.8-88.3000113.1E362E362-H364 WeakPolarHBondContact CG-NE2 3.37Å; E362-H364 IonicContact OE1-CD2 3.92Å; E362-H364 IonicContact OE1-CE1 2.78Å; E362-H364 PolarHBondContact OE1-CE1 3.38Å; E362-H364 VanDerWaalsContact OE1-CE1 3.26Å; E362-H364 IonicContact OE1-NE2 2.7Å; E362-H364 PolarHBondContact OE1-NE2 3.17Å
365V29.8Very low27.8Very low152 Ų152127.2 Ų127.292%0.92176%0.76SS**  -169.2126.2116.4175.70000109.7
366G27.7Very low27.8Very low64 Ų64129.1 Ų129.166%0.6677%0.772SS**  trans97.7142.5148.800000117.4
367P36Very low28Very low122 Ų122129.3 Ų129.379%0.79278%0.778SS**  trans-112.9146.9-147.637.8-24.5000114
368T27.7Very low28.3Very low134 Ų134125.6 Ų125.682%0.82278%0.778SS**  cis72.4127.447.1-51.40000112.5
369G26.6Very low29Very low71 Ų71125.6 Ų125.673%0.73278%0.784SS**  cis130.2116.2-4.300000113.1
370A27.9Very low29.1Very low112 Ų112123.2 Ų123.293%0.92678%0.781SS**  trans-154.9144.8169.100000109.3
371G26.5Very low29.3Very low72 Ų72129.9 Ų129.974%0.74279%0.79SS**  cis161.3100.7-5.600000110.5
372L26.5Very low29.4Very low181 Ų181134.2 Ų134.295%0.94881%0.805SS**  trans-110.1118.3-178.9-80.6168.1000111.2
373F28.8Very low29.6Very low187 Ų187135.1 Ų135.182%0.8281%0.814SS**  trans-104.3144.4164.9-94.6-88.6000110.2
374P40.1Very low30.3Very low112 Ų112135.5 Ų135.573%0.72781%0.814SS**  trans-88136.2177.933.7-32.9000112.4
375H27.5Very low30.3Very low183 Ų183139.7 Ų139.785%0.84782%0.823SS**  trans-130.3148.6164.2-69.3-70.1000109.9
376C26.5Very low30.3Very low116 Ų116139 Ų13978%0.78482%0.82SS**  trans-107.9164.1-173.1-700000113
377L28.1Very low30.4Very low168 Ų168142.1 Ų142.188%0.8883%0.826SS**  trans77.4156169.3-47.4178.3000116.4
378P30.9Very low30.1Very low120 Ų120141.7 Ų141.778%0.77983%0.826SS**  cis-115.4167.3-1338.2-26.3000113.1
379A38.8Very low30.1Very low97 Ų97141.7 Ų141.780%0.80283%0.825SS**  trans-78.4138.5173.800000112.1
380S29Very low30.1Very low106 Ų106146.5 Ų146.574%0.74183%0.828SS**  trans-161.3135.5167-90.20000113.6
381R31.4Very low30.2Very low241 Ų241148 Ų14891%0.90982%0.82SS**  trans56.492.5161.3-56.6-176.6-173.2-148-0.3117.2
382L28.5Very low30.8Very low178 Ų178150.2 Ų150.293%0.93282%0.821SS**  trans-87.6117.6152.7-69.6174.2000109.6
383L32.8Very low30.8Very low158 Ų158148.6 Ų148.683%0.82781%0.813SS**  trans-117.8138.8154.5-82.7169.1000107R385L383-R385 PolarHBondContact O-N 2.69Å
384P36.2Very low30.7Very low127 Ų127149.7 Ų149.783%0.82581%0.814SS**PPolyproline II helixtrans-72.2117.4-17228-33.8000111.5
385R28.1Very low30.2Very low232 Ų232148 Ų14888%0.87581%0.809SS**PPolyproline II helixtrans-92.4122.1168.6-172.5173.5-176.6139.30.7109.5L383L383-R385 PolarHBondContact O-N 2.69Å
386V30.7Very low30.2Very low139 Ų139147.4 Ų147.484%0.84281%0.806SS**PPolyproline II helixtrans-63142.5175.81800000110.4
387T29.8Very low30.2Very low128 Ų128151.3 Ų151.379%0.78581%0.806SS**  trans-136.1114.4-179.246.60000112.5
388S29.2Very low30.1Very low114 Ų114153.7 Ų153.780%0.79781%0.805SS**  trans-179.6140156.9-1770000108.9
389V28.5Very low30.1Very low134 Ų134153.6 Ų153.681%0.81280%0.802SS**  cis-155.2153.2-23.7134.90000105.6
390H27.4Very low29.8Very low171 Ų171157.3 Ų157.379%0.79281%0.807SS**  trans-65.3149.6173.2-96.5-100.3000111.4
391L28.6Very low29.7Very low145 Ų145155.1 Ų155.176%0.75980%0.801SS**  168.2177.466.1-158.159.5000106.6
392P39Very low29.8Very low117 Ų117150.5 Ų150.576%0.7680%0.802SS**  cis-109-173.4-24718.6000113.4
393D27.5Very low30Very low147 Ų147145.5 Ų145.579%0.78679%0.794SS**  trans-92.5134.7173.5-174.811.8000112.2
394Y26.2Very low29.9Very low211 Ų211147.1 Ų147.183%0.82780%0.8SS**  trans-162.4127.4159.1-144.8-85.3000110.5
395A29.1Very low29.7Very low76 Ų76151.1 Ų151.163%0.62881%0.805SS**  trans-112.3138.5-174.500000113
396H26.9Very low30Very low170 Ų170146.1 Ų146.179%0.78780%0.802SS**  trans-152.1159.4153.6-91.4-62.4000111.2
397Y27Very low29.9Very low198 Ų198144.8 Ų144.878%0.77680%0.799SS**  trans-87.7148.4-166.1-73.9-126.1000112.9
398Y26.6Very low29.8Very low218 Ų218143.8 Ų143.886%0.85580%0.797SS**  179.6170.896.3-104.2-72.5000115.1
399T31.6Very low29.8Very low119 Ų119147.4 Ų147.473%0.7380%0.801SS**  trans-84.9140.7-165-48.20000115.7
400I31Very low30.2Very low174 Ų174148 Ų14889%0.89280%0.798SS**  trans-168.8151.5150.4-92.1141.7000104.3
401G27.6Very low30.4Very low61 Ų61145.3 Ų145.363%0.62980%0.796SS**  cis155.8137.73.900000106.2
402P33.8Very low30.6Very low143 Ų143142.6 Ų142.693%0.92979%0.789SS**  trans-86142.5-153.632-36.4000115.6
403G31.8Very low30.5Very low74 Ų74144.5 Ų144.576%0.76378%0.781SS**  trans120.981.9150.900000117.3
404M30.8Very low30.9Very low191 Ų191144.4 Ų144.494%0.94177%0.774SS**  trans-160.3120.5151.4-109.1179.8121.800110.1
405F32.7Very low31.4Very low212 Ų212139.1 Ų139.193%0.9376%0.76SS**PPolyproline II helixtrans-101.2120.6172.3-77.3-85.1000110.2
406P33.7Very low31.7Very low126 Ų126147.4 Ų147.482%0.81878%0.775SS**PPolyproline II helixtrans-76123160-11.628.7000109.4
407S28.4Very low32.2Very low112 Ų112143.5 Ų143.578%0.78377%0.772SS**PPolyproline II helixtrans-71.7141.5175.2-1740000111.4Q409S407-Q409 PolarHBondContact O-N 3.31Å; S407-Q409 VanDerWaalsContact O-N 3.12Å
408S28.9Very low32.6Very low106 Ų106141.5 Ų141.574%0.74177%0.768SS**  trans-74.198.2-178.555.90000112.1I410S408-I410 PolarHBondContact O-N 3.34Å
409Q29.3Very low33.4Very low190 Ų190136.2 Ų136.289%0.88876%0.76SS**  trans-81.9100.7166.5-71.1-168.3100110.7S407S407-Q409 PolarHBondContact O-N 3.31Å; S407-Q409 VanDerWaalsContact O-N 3.12Å
410I35.8Very low33.9Very low146 Ų146132.8 Ų132.875%0.74975%0.748SS**  trans-76.8131163.3-59.9171.6000107.5S408 S412S408-I410 PolarHBondContact O-N 3.34Å; I410-S412 PolarHBondContact O-N 3.29Å
411P31.1Very low34.4Very low115 Ų115131.6 Ų131.675%0.74775%0.752SS**  trans-57.8120.3177.8-26.935.8000112.6W413P411-W413 PolarHBondContact O-N 3.47Å
412S33.2Very low34.9Very low88 Ų88139.2 Ų139.262%0.61576%0.763SS**  trans-73.3110.8177179.80000110.5I410 K414I410-S412 PolarHBondContact O-N 3.29Å; S412-K414 PolarHBondContact O-N 3.37Å; S412-K414 VanDerWaalsContact O-N 3.13Å
413W37.3Very low35.1Very low157 Ų157139 Ų13960%0.59576%0.755SS**THydrogen-bonded Turntrans-75.48.5179.651.7-93000114.5E211 P411E211-W413 VanDerWaalsContact OE2-CH2 3.25Å; E211-W413 WeakPolarHBondContact OE2-CH2 3.39Å; P411-W413 PolarHBondContact O-N 3.47Å
414K36.2Very low35.3Very low145 Ų145144 Ų14463%0.6376%0.758SS**THydrogen-bonded Turntrans-95.5-3-165.3-68.7-178174.3177.90116.3S412S412-K414 PolarHBondContact O-N 3.37Å; S412-K414 VanDerWaalsContact O-N 3.13Å
415D37.6Very low35.5Very low100 Ų100140.7 Ų140.754%0.53575%0.751SS.*G310 helixtrans-84.4-8.9-174.4-106.5-51.9000115.8A417 K418D415-A417 PolarHBondContact O-N 3.36Å; D415-K418 WeakPolarHBondContact OD1-CE 3.26Å; D415-K418 IonicContact OD1-NZ 2.69Å; D415-K418 PolarHBondContact OD1-NZ 3.22Å
416W34.7Very low35.3Very low250 Ų250137.7 Ų137.795%0.94774%0.744SS**G310 helixtrans-71.79.6179.4-71.395.8000115.2
417A37.4Very low35Very low88 Ų88137.7 Ų137.773%0.72774%0.741SS**G310 helixtrans-105.58.4-175.100000114.6D415D415-A417 PolarHBondContact O-N 3.36Å
418K36.2Very low35Very low157 Ų157138.5 Ų138.568%0.68374%0.737SS**PPolyproline II helixtrans-97.1121.4175.5-69.8166.4-178.8159.30110.2D415D415-K418 WeakPolarHBondContact OD1-CE 3.26Å; D415-K418 IonicContact OD1-NZ 2.69Å; D415-K418 PolarHBondContact OD1-NZ 3.22Å
419P41.5Very low35Very low106 Ų106139.5 Ų139.569%0.68874%0.738SS**PPolyproline II helixtrans-64.7143168.128.2-33.1000110
420G43.3Very low34.9Very low47 Ų47138.2 Ų138.249%0.48574%0.737SS.*PPolyproline II helixtrans-69.6164.5176.600000112.2Y422G420-Y422 PolarHBondContact O-N 3.31Å
421P41.1Very low34.5Very low149 Ų149141 Ų14197%0.96875%0.747SS**THydrogen-bonded Turntrans-73.831.4-173.132.6-38.1000114.7
422Y38.8Very low34.4Very low222 Ų222147.2 Ų147.287%0.87176%0.755SS**THydrogen-bonded Turntrans-123-10.2-177-142.3-95000114.4G420 Q424G420-Y422 PolarHBondContact O-N 3.31Å; Y422-Q424 PolarHBondContact O-N 2.97Å
423D38.2Very low34.1Very low139 Ų139154.4 Ų154.474%0.74377%0.769SS**  trans-81.879.4175.6-81.7-50.4000111.9
424Q35.9Very low33.8Very low177 Ų177154.4 Ų154.483%0.82777%0.773SS**  trans-131.7137.8155.6-72.2-164.114.600110.9Y422 L426Y422-Q424 PolarHBondContact O-N 2.97Å; Q424-L426 PolarHBondContact O-N 3.24Å
425P33.4Very low33.2Very low123 Ų123154.9 Ų154.980%0.79978%0.777SS**  trans-74.7109.9-176.629.2-34.1000112V427P425-V427 PolarHBondContact O-N 2.7Å; P425-V427 VanDerWaalsContact O-N 3.15Å
426L30Very low32.7Very low149 Ų149158 Ų15878%0.7879%0.786SS**  trans-75.6100.1-179.6-154.182.2000111.9Q424 N428Q424-L426 PolarHBondContact O-N 3.24Å; L426-N428 PolarHBondContact O-N 2.9Å
427V27.3Very low32.6Very low125 Ų125154.8 Ų154.876%0.75877%0.774SS**  trans-82.897.7177.8-176.80000110.7P425 T429P425-V427 PolarHBondContact O-N 2.7Å; P425-V427 VanDerWaalsContact O-N 3.15Å; V427-T429 PolarHBondContact O-N 2.65Å
428N28.5Very low32Very low130 Ų130157.5 Ų157.570%0.69577%0.772SS**  trans-81.5110.6178.7-80.9-51000112.9L426L426-N428 PolarHBondContact O-N 2.9Å
429T27.7Very low32.2Very low127 Ų127155.4 Ų155.478%0.77977%0.774SS**  trans-100.895.816940.30000111.8V427V427-T429 PolarHBondContact O-N 2.65Å
430L27.6Very low31.5Very low162 Ų162157.5 Ų157.585%0.84878%0.779SS**  trans-130.4100.6169.5-73.7176.9000111.4
431Q28Very low31.9Very low205 Ų205160.2 Ų160.296%0.95879%0.788SS**  trans-96.9157.6163.1-71.7-166.2-2.200111
432R29.2Very low31.4Very low246 Ų246161 Ų16193%0.92879%0.785SS**  trans-139.8114.1-157.9-175.6-166.9-165.4-169.18.8114.1
433R27.2Very low30.9Very low238 Ų238154 Ų15490%0.89878%0.779SS**  trans-167.5132.6157.1-103.5174.6179-138.8-0.4107
434K29.3Very low30.4Very low158 Ų158151.4 Ų151.469%0.68779%0.786SS**  6311454.9-168.8175.9-175-85.50110.6
435E23.8Very low29.8Very low155 Ų155146.4 Ų146.472%0.72478%0.781SS**  -141.1-144.568.7-158.282.8-137.500113.9
436K27.7Very low30.5Very low164 Ų164146.4 Ų146.471%0.71378%0.781SS**  trans-155.2144-154-178.4-155.9174.8-178.10113.6
437R31.9Very low30.6Very low184 Ų184145.2 Ų145.269%0.69478%0.78SS**  trans96.9116149.2-126.6-177.7170130.625.1121.5
438E24.7Very low30.7Very low145 Ų145145.2 Ų145.268%0.67878%0.781SS**  trans42.8158.1135.4-68.2178.710500123.1
439P41.9Very low30.9Very low112 Ų112143 Ų14373%0.72778%0.78SS**  cis-138.3-174-26.437.8-17.6000115.7
440D25.7Very low30.8Very low151 Ų151142.4 Ų142.481%0.80778%0.782SS**  trans-15.8174.9156.1-89.1-55.2000122.7
441P51.5Low30.7Very low103 Ų103138 Ų13867%0.66978%0.775SS**  cis-138.9-177.4-0.634.9-13.9000117.3
442N30.6Very low31.5Very low167 Ų167134.2 Ų134.289%0.89377%0.769SS**  trans63.8150.9153.1-86.7-20.1000120.1
443G28.7Very low32.4Very low73 Ų73127.7 Ų127.775%0.75376%0.758SS**  cis160.9156.1-7.100000112.9
444G27.8Very low32.7Very low86 Ų86121.2 Ų121.289%0.88776%0.755SS**  trans130.912317000000116.4
445G24Very low32.8Very low71 Ų71118.4 Ų118.473%0.73276%0.762SS**  trans-106-142.1164.100000110.8
446P47.6Very low33Very low123 Ų123115.1 Ų115.180%0.79976%0.761SS**  cis-98.4-124.98.8-0.325.4000114.4
447T31.9Very low33.1Very low124 Ų124116.3 Ų116.376%0.76177%0.769SS**  cis-159.9172.711.9-13.50000115.8
448T30.4Very low32.9Very low125 Ų125115.8 Ų115.877%0.76777%0.774SS**  trans-61.3163175.649.40000117.1
449A31.6Very low33Very low83 Ų83112.8 Ų112.869%0.68678%0.775SS**  cis-165.9179.2-2.700000111.9
450S26.4Very low32.3Very low115 Ų115116.9 Ų116.980%0.80478%0.784SS**  trans17.1135.7153570000120.8
451G24.8Very low32.8Very low69 Ų69119.3 Ų119.371%0.71178%0.782SS**  cis83.2148.618.200000113.5
452P44.4Very low32.1Very low127 Ų127120.4 Ų120.483%0.82579%0.789SS**  cis-125.9-140.3-1044.7-26000110.4
453P49.7Very low32.4Very low109 Ų109122.5 Ų122.571%0.70878%0.784SS**  cis-133.7174.4-25.240.4-23.7000116.8
454A32.1Very low32.4Very low101 Ų101125.1 Ų125.184%0.83579%0.792SS**  trans62.5150.1150.500000120.6
455A31.9Very low32.5Very low100 Ų100129.4 Ų129.483%0.82679%0.791SS**  cis-160173.6-18.100000107.2
456A28.3Very low32.6Very low86 Ų86132.5 Ų132.571%0.71180%0.796SS**  cis-157.9177.321.700000112.7
457E29.2Very low31.7Very low188 Ų188132.8 Ų132.888%0.87979%0.794SS**  trans63.1146.8168.4-63-177.2121.600117.6
458E27Very low31.5Very low173 Ų173132.4 Ų132.481%0.80880%0.797SS**  cis-147.3175.92.3-144.1-157128.300112.2
459A28.7Very low31.3Very low83 Ų83131.6 Ų131.669%0.68680%0.803SS**  trans54.663.7153.200000121.3
460Q27.3Very low31.3Very low198 Ų198132.5 Ų132.593%0.92581%0.811SS**  trans23.6131.1139.9-64.8-178.4-30.400123
461R34.2Very low31.6Very low201 Ų201134.1 Ų134.176%0.75882%0.816SS**  trans-112.5167.8150.8-152-166.5-160102.11.8108.9
462P36.9Very low32Very low126 Ų126142 Ų14282%0.81882%0.824SS**  -146.6-178.7107.335-17.7000115.5
463R36.9Very low31.9Very low211 Ų211142.2 Ų142.280%0.79683%0.826SS**  trans-110.6156.7174.5-75.1176.2160.4120.5-10.1111.2
464S28.7Very low31.5Very low129 Ų129138.8 Ų138.890%0.90281%0.81SS**  trans-165.8171.9137.3-84.20000111.3
465M30.3Very low32Very low176 Ų176142 Ų14287%0.86781%0.808SS**  trans-113.1142.4-172.6-63.316352.400112.7
466T26.3Very low32.6Very low136 Ų136146 Ų14683%0.83481%0.809SS**  trans-166.3122.9143.214.90000114.3
467V28.6Very low33.5Very low128 Ų128148.4 Ų148.478%0.77681%0.807SS**  39.7119128.8-175.20000121.4
468S28.1Very low34.4Very low117 Ų117146.1 Ų146.182%0.81880%0.797SS**  trans60.6123.2145.8-59.50000123.5
469A26.7Very low35.6Very low108 Ų108141 Ų14189%0.89378%0.784SS**  trans-144.8150.8130.400000108.7
470A30.7Very low36.9Very low102 Ų102141.3 Ų141.384%0.84378%0.78SS**  trans-132.8135.7-179.100000111.5
471T33.4Very low38.6Very low148 Ų148137.6 Ų137.691%0.90876%0.763SS**  trans-107.3148.5166.631.50000109.9
472R33.4Very low39.9Very low235 Ų235135 Ų13589%0.88776%0.759SS**  trans-98.6143.2-167.6-72179.2164.7169.3-5.6112.2
473P41.1Very low41Very low132 Ų132134.5 Ų134.586%0.85775%0.749SS**  trans-75.5127.6152.732.2-29.3000108.8
474G42.2Very low42.3Very low37 Ų37126.8 Ų126.838%0.38173%0.73SS.*  trans-167.3-48.8178.900000113.8E476 M477G474-E476 VanDerWaalsContact C-N 3.32Å; G474-E476 PolarHBondContact O-N 3.07Å; G474-M477 PolarHBondContact O-N 3.29Å
475E41.8Very low43.9Very low169 Ų169125 Ų12579%0.7971%0.71SS**Hα-helixtrans-63.5-30.4-169-63.2168142.300113.9M477E475-M477 VanDerWaalsContact C-N 3.32Å; E475-M477 PolarHBondContact O-N 2.86Å
476E44.7Very low45.1Very low182 Ų182119.5 Ų119.585%0.8569%0.693SS**Hα-helixtrans-72.2-20.3174.1-70.5-167.7136.100114G474G474-E476 VanDerWaalsContact C-N 3.32Å; G474-E476 PolarHBondContact O-N 3.07Å
477M46.6Very low46.3Very low138 Ų138119 Ų11968%0.6868%0.684SS**Hα-helixtrans-84.7-37.2-178.6-159.6162.874.400111.7G474 E475 C480 E481G474-M477 PolarHBondContact O-N 3.29Å; E475-M477 VanDerWaalsContact C-N 3.32Å; E475-M477 PolarHBondContact O-N 2.86Å; M477-C480 WeakPolarHBondContact O-CB 3.31Å; M477-C480 PolarHBondContact O-N 3.15Å; M477-E481 PolarHBondContact O-N 3.08Å
478E48.9Very low47.2Very low139 Ų139117.4 Ų117.465%0.6568%0.679SS**Hα-helixtrans-63.7-41.9178-65.4-179.1149.300111.7C480 E481 E482E478-C480 PolarHBondContact O-N 3.4Å; E478-E481 PolarHBondContact O-N 3.4Å; E478-E482 PolarHBondContact O-N 2.68Å
479A51.3Low48.1Very low66 Ų66121.9 Ų121.955%0.54568%0.678SS.*Hα-helixtrans-63.1-28.3175.600000113.5L483A479-L483 PolarHBondContact O-N 2.76Å
480C56.4Low49Very low89 Ų89119.6 Ų119.660%0.60167%0.665SS**Hα-helixtrans-79.6-36.7176.5-159.70000111.5M477 E478 A484M477-C480 WeakPolarHBondContact O-CB 3.31Å; M477-C480 PolarHBondContact O-N 3.15Å; E478-C480 PolarHBondContact O-N 3.4Å; C480-A484 PolarHBondContact O-N 2.99Å
481E64.3Low49.4Very low121 Ų121122.5 Ų122.557%0.56567%0.666SS**Hα-helixtrans-71.6-37.9176.4-170.5162.6-164.300112.3M477 E478 L483 A484 L485M477-E481 PolarHBondContact O-N 3.08Å; E478-E481 PolarHBondContact O-N 3.4Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 3.46Å; E481-A484 PolarHBondContact O-N 2.98Å; E481-L485 HydrophobicContact CG-CD1 4.39Å; E481-L485 WeakPolarHBondContact O-CG 3.3Å; E481-L485 PolarHBondContact O-N 2.93Å
482E60.9Low49.4Very low147 Ų147124 Ų12469%0.68766%0.663SS**Hα-helixtrans-61.1-41.9173-173.9173.3-152.700111.8E478 A484 L485 A486E478-E482 PolarHBondContact O-N 2.68Å; E482-A484 VanDerWaalsContact C-N 3.34Å; E482-A484 PolarHBondContact O-N 3.02Å; E482-L485 PolarHBondContact O-N 2.78Å; E482-A486 WeakPolarHBondContact O-CB 3.41Å; E482-A486 PolarHBondContact O-N 3.22Å
483L60.3Low49.3Very low114 Ų114120.9 Ų120.960%0.59766%0.663SS**Hα-helixtrans-62.3-40.6175.4-16186.7000111.8A479 E481 A486 L487A479-L483 PolarHBondContact O-N 2.76Å; E481-L483 VanDerWaalsContact C-N 3.35Å; E481-L483 PolarHBondContact O-N 3.46Å; L483-A486 PolarHBondContact O-N 3.01Å; L483-L487 WeakPolarHBondContact O-CG 3.2Å; L483-L487 PolarHBondContact O-N 3.01Å
484A64.2Low48.7Very low49 Ų49121 Ų12141%0.40566%0.656SS.*Hα-helixtrans-66.2-38.417600000112.4C480 E481 E482 S488C480-A484 PolarHBondContact O-N 2.99Å; E481-A484 PolarHBondContact O-N 2.98Å; E482-A484 VanDerWaalsContact C-N 3.34Å; E482-A484 PolarHBondContact O-N 3.02Å; A484-S488 WeakPolarHBondContact O-CB 3.41Å; A484-S488 PolarHBondContact O-N 3.07Å; A484-S488 PolarHBondContact O-OG 3.21Å
485L62.3Low48.5Very low92 Ų92125.3 Ų125.348%0.48268%0.675SS.*Hα-helixtrans-68.4-36.2174.7-72.6168.4000112.3E481 E482 S488 R489E481-L485 HydrophobicContact CG-CD1 4.39Å; E481-L485 WeakPolarHBondContact O-CG 3.3Å; E481-L485 PolarHBondContact O-N 2.93Å; E482-L485 PolarHBondContact O-N 2.78Å; L485-S488 PolarHBondContact O-N 3.01Å; L485-R489 WeakPolarHBondContact O-CG 3.48Å; L485-R489 PolarHBondContact O-N 3.3Å
486A55.2Low47.9Very low61 Ų61123.3 Ų123.350%0.50467%0.666SS.*Hα-helixtrans-64-48.6173.600000111.7E482 L483 S488 R489E482-A486 WeakPolarHBondContact O-CB 3.41Å; E482-A486 PolarHBondContact O-N 3.22Å; L483-A486 PolarHBondContact O-N 3.01Å; A486-S488 VanDerWaalsContact C-N 3.3Å; A486-S488 PolarHBondContact O-N 3.48Å; A486-R489 PolarHBondContact O-N 3.19Å
487L52Low47.3Very low124 Ų124124.7 Ų124.765%0.64966%0.663SS**Hα-helixtrans-61.4-37.7176.1-70.6169.3000112.1L483 R489 G490L483-L487 WeakPolarHBondContact O-CG 3.2Å; L483-L487 PolarHBondContact O-N 3.01Å; L487-R489 PolarHBondContact O-N 2.77Å; L487-G490 PolarHBondContact O-N 3.33Å
488S47.8Very low46.4Very low95 Ų95123 Ų12366%0.66467%0.665SS**Hα-helixtrans-64.9-22.3178.1-61.10000114A484 L485 A486A484-S488 WeakPolarHBondContact O-CB 3.41Å; A484-S488 PolarHBondContact O-N 3.07Å; A484-S488 PolarHBondContact O-OG 3.21Å; L485-S488 PolarHBondContact O-N 3.01Å; A486-S488 VanDerWaalsContact C-N 3.3Å; A486-S488 PolarHBondContact O-N 3.48Å
489R46.8Very low45.6Very low211 Ų211120.6 Ų120.680%0.79666%0.663SS**Hα-helixtrans-88.5-11.3176.9-68.8173.2-176.9170.83.8113.6L485 A486 L487L485-R489 WeakPolarHBondContact O-CG 3.48Å; L485-R489 PolarHBondContact O-N 3.3Å; A486-R489 PolarHBondContact O-N 3.19Å; L487-R489 PolarHBondContact O-N 2.77Å
490G43.7Very low44.7Very low61 Ų61127.9 Ų127.963%0.62968%0.677SS**SBendtrans-83.7-4.9-172.700000116.5L487L487-G490 PolarHBondContact O-N 3.33Å
491L39.1Very low43.4Very low163 Ų163128.8 Ų128.885%0.85368%0.676SS**  trans-129.457.3-167.3-66.8177.3000113.6
492Q33.5Very low41.8Very low180 Ų180127.1 Ų127.184%0.84168%0.678SS**  trans-148101175.4-161.3168.31400114.2
493L31.8Very low40.4Very low169 Ų169126.9 Ų126.989%0.88568%0.68SS**  trans169.284.5158.7-96.9161.9000106.1
494D29.4Very low39Very low135 Ų135128.9 Ų128.972%0.72269%0.687SS**  74.5143.677.7-154.8-10.1000113.6
495T38.1Very low37.2Very low126 Ų126131.9 Ų131.977%0.77370%0.703SS**  trans-137.5109.5-169.1-66.80000110.5
496Q29.2Very low35.6Very low128 Ų128133 Ų13360%0.59872%0.718SS**  trans-144.8143.4177.8-64-69-74.200107.9
497R30.9Very low34.5Very low210 Ų210136.2 Ų136.279%0.79274%0.737SS**  cis-160.9163.8-6.9-132.7176171.9135.9-16.8109.2
498S28Very low33.6Very low104 Ų104133.1 Ų133.173%0.72774%0.736SS**  trans16.6153.2138.2-83.20000122.1
499S31.7Very low32.8Very low88 Ų88139.8 Ų139.862%0.61575%0.748SS**  cis172.8155.3-4.757.50000112.9
500R32.8Very low32.1Very low218 Ų218133.9 Ų133.982%0.82374%0.739SS**  trans67.5163.3153.2-66.4170.173.7164.26.4116.4
501D28.7Very low31.8Very low108 Ų108136.5 Ų136.558%0.57874%0.743SS**  cis-151.8147.3-3.8-132.9-39000113.8
502S31.9Very low31.5Very low87 Ų87136.8 Ų136.861%0.60874%0.74SS**  trans58124.7138.5-73.90000128.1
503L31.6Very low31.6Very low142 Ų142133.9 Ų133.974%0.74374%0.735SS**  trans73.8159.5135.5-56.9172.2000119.5
504Q29.5Very low31.6Very low156 Ų156132.3 Ų132.373%0.72973%0.732SS**  cis-159.6164.32.6-135.7154.9-7.600114.6
505C26.6Very low31.9Very low112 Ų112131.9 Ų131.976%0.75774%0.735SS**  trans69.4167.3158.5-63.80000121.4
506S29.9Very low32.7Very low114 Ų114131 Ų13180%0.79773%0.731SS**  176.2150.8-60.8-89.60000113.3
507S32.5Very low32.6Very low129 Ų129131 Ų13190%0.90274%0.744SS**  trans74.6153.7168.8-150.50000117.8
508G31.1Very low32.7Very low60 Ų60127.1 Ų127.162%0.61975%0.747SS**  cis158.1147.9-13.600000115.2
509Y32.7Very low33.3Very low235 Ų235127.5 Ų127.592%0.92275%0.75SS**  trans66.2161.9170.6-78.8-92.5000117.7
510S31.8Very low33.5Very low86 Ų86131.9 Ų131.960%0.60176%0.761SS**  cis-156.5146.90.2-154.40000115.8
511T35.9Very low33.6Very low116 Ų116129.1 Ų129.171%0.71276%0.762SS**  trans44.5138.5141.151.90000128
512Q33.7Very low34Very low169 Ų169129 Ų12979%0.7977%0.766SS**  trans105114.4130.1-94.3177.717.600124.3
513T34.7Very low34.1Very low120 Ų120132.5 Ų132.574%0.73678%0.776SS**  trans53.9149.7139.348.40000121.7
514T33.4Very low34.8Very low135 Ų135130.9 Ų130.983%0.82877%0.774SS**  cis-157.4165.625.8-24.80000113.2
515T35Very low34.9Very low127 Ų127127.8 Ų127.878%0.77977%0.77SS**  trans-102.4-174.7175.87.70000112.6
516P54.4Low35.1Very low107 Ų107131 Ų13170%0.69577%0.773SS**  cis-136.3-175.7-14.940.1-22.5000115.2
517C27.7Very low34.9Very low129 Ų129131.3 Ų131.387%0.87277%0.77SS**  -179.7159.4127.2-105.80000113.4
518C33.4Very low34.8Very low127 Ų127129.1 Ų129.186%0.85876%0.755SS**  trans-144.9155-167-53.50000114.7
519S39.3Very low34.7Very low112 Ų112133.1 Ų133.178%0.78376%0.762SS**  trans-179.5130147.154.50000108.8
520E37.6Very low34.4Very low181 Ų181132 Ų13285%0.84676%0.758SS**  cis91.9111.129.5-169.8167.3-162.200114.6
521D34.8Very low34.4Very low159 Ų159134.6 Ų134.685%0.8577%0.765SS**  trans-171.4169.6133.5-136.6-38.9000113
522T36.5Very low33.7Very low107 Ų107137.7 Ų137.766%0.65677%0.765SS**  trans-144.5110.1-153.5-61.20000118.5
523I34.4Very low33.6Very low159 Ų159138.5 Ų138.582%0.81577%0.766SS**  trans65.9-173.5144.9-50.9-62000112.7
524P45.6Very low33.4Very low109 Ų109136.3 Ų136.371%0.70876%0.755SS**  cis-132.2-178.7-146.9-29.3000119.6
525S31.5Very low33.3Very low91 Ų91137 Ų13764%0.63676%0.759SS**  trans71.7118.8153.6-82.40000121.6
526Q30.7Very low33.1Very low179 Ų179136.5 Ų136.584%0.83676%0.761SS**  87.4146.579.6-77.2-177.129.500113.3
527V25.9Very low31.8Very low120 Ų120134.9 Ų134.973%0.72776%0.764SS**  cis-151.8178.37.898.90000112.8
528S31.3Very low32Very low84 Ų84136.3 Ų136.359%0.58776%0.763SS**  trans-67.7-175.4174.311.20000115.9
529D28.9Very low31.7Very low144 Ų144138 Ų13877%0.7776%0.758SS**  cis-164.5-160.7-8.4-102.6-30.2000108.6
530Y26.3Very low31.1Very low211 Ų211140.2 Ų140.283%0.82776%0.756SS**  trans85.3151.9172.5-79.4-105.3000116.7
531D30.5Very low30.6Very low140 Ų140136.2 Ų136.275%0.74975%0.754SS**  cis-126.9167.823.1-94.9-51.9000116.5
532Y23.1Very low30.3Very low182 Ų182134.8 Ų134.871%0.71475%0.746SS**  trans-141.8142.4170170.3-100.9000110.7S534Y532-S534 WeakPolarHBondContact CE1-OG 3.32Å; Y532-S534 PolarHBondContact OH-OG 2.96Å
533F30.8Very low29.8Very low186 Ų186136.8 Ų136.882%0.81675%0.748SS**  trans-126.7132.3176.2-94.7-87.7000111.3
534S30.6Very low29.6Very low73 Ų73137.7 Ų137.751%0.5175%0.749SS.*  trans-107.7154.3168.4-61.70000111.7Y532Y532-S534 WeakPolarHBondContact CE1-OG 3.32Å; Y532-S534 PolarHBondContact OH-OG 2.96Å
535V30.4Very low28.8Very low149 Ų149140.9 Ų140.990%0.90375%0.754SS**  trans-129.3138.2154.71720000106.8
536S31Very low28.6Very low117 Ų117144.8 Ų144.882%0.81876%0.76SS**  trans-104.4159.5-165.1-48.80000113.7
537G28.3Very low28.5Very low74 Ų74143.7 Ų143.776%0.76376%0.76SS**  trans-160.7134.6162.800000110.1
538D31Very low28.8Very low158 Ų158145.5 Ų145.585%0.84576%0.758SS**  trans-69167.3178-70.1-56000111.7
539Q27.7Very low28.8Very low162 Ų162146.5 Ų146.576%0.75777%0.765SS**  cis-153.8164.631.5-165.5157.715.700115.7
540E25.9Very low28.9Very low160 Ų160145.5 Ų145.575%0.74877%0.769SS**  trans-30.8150.4167.8-61.8155.5108.700116.6
541A27.5Very low29.4Very low96 Ų96141.2 Ų141.279%0.79377%0.766SS**  cis-150.8-156.70.800000108.6
542D28.3Very low29.7Very low129 Ų129141.2 Ų141.269%0.6976%0.764SS**  cis-159.6176.88.4-171.523.3000110.9
543Q26.8Very low30.3Very low149 Ų149136.4 Ų136.470%0.69676%0.755SS**  trans65.492.6157.8-90.6163.962.200120.5
544Q30.1Very low30.8Very low178 Ų178139.7 Ų139.783%0.83276%0.762SS**  76.8114.6113.9-163.4165.5400120.5
545E27.4Very low31.5Very low176 Ų176143.1 Ų143.182%0.82278%0.775SS**  trans-43.2143.7171.9-53.3169.8105.300116.3
546F28.3Very low32.1Very low173 Ų173139.8 Ų139.876%0.75976%0.758SS**  -163.264.8120.9-129.9-89.9000114K548F546-K548 HydrophobicContact CD1-CD 4.29Å; F546-K548 HydrophobicContact CD1-CG 4.38Å; F546-K548 HydrophobicContact CE1-CD 3.74Å; F546-K548 VanDerWaalsContact CE1-CE 3.43Å; F546-K548 HydrophobicContact CE1-CG 4.31Å; F546-K548 HydrophobicContact CZ-CD 4.47Å
547D27.8Very low33.2Very low156 Ų156138.2 Ų138.283%0.83474%0.741SS**  trans-102.3120.6168.9-159.2-18.1000110.6
548K32.3Very low34.2Very low159 Ų159140 Ų14069%0.69173%0.731SS**  trans-122.1100.6-176.5-77.1-167.7177179.40111.7F546 S550F546-K548 HydrophobicContact CD1-CD 4.29Å; F546-K548 HydrophobicContact CD1-CG 4.38Å; F546-K548 HydrophobicContact CE1-CD 3.74Å; F546-K548 VanDerWaalsContact CE1-CE 3.43Å; F546-K548 HydrophobicContact CE1-CG 4.31Å; F546-K548 HydrophobicContact CZ-CD 4.47Å; K548-S550 PolarHBondContact O-N 3.21Å
549S32.4Very low34.7Very low105 Ų105135.8 Ų135.873%0.73471%0.714SS**  trans-42.7127.5176.7-45.50000114.3T551S549-T551 PolarHBondContact O-N 3.24Å
550S29.9Very low35.6Very low122 Ų122132.3 Ų132.385%0.85370%0.698SS**  trans-90.785.6167.4-165.10000110.4K548 I552K548-S550 PolarHBondContact O-N 3.21Å; S550-I552 PolarHBondContact O-N 2.87Å
551T37.4Very low36.4Very low122 Ų122127.7 Ų127.775%0.74868%0.684SS**  trans-76.7114.4-178.3-57.10000111.3S549 P553S549-T551 PolarHBondContact O-N 3.24Å; T551-P553 WeakPolarHBondContact O-CD 3.39Å
552I36.5Very low37.2Very low139 Ų139130.3 Ų130.371%0.71367%0.674SS**  trans-72.4124.9-178.9-59.8173.3000111S550 R554S550-I552 PolarHBondContact O-N 2.87Å; I552-R554 PolarHBondContact O-N 3.28Å
553P35.2Very low38.2Very low82 Ų82133.5 Ų133.553%0.53268%0.676SS.*  trans-68122.3173.5-19.532.8000112.1T551 N555T551-P553 WeakPolarHBondContact O-CD 3.39Å; P553-N555 PolarHBondContact O-N 3.36Å
554R43Very low39.2Very low255 Ų255134.3 Ų134.396%0.96267%0.673SS**THydrogen-bonded Turntrans-7739.6179.7-83.7-169.7164.8105.2-5.8114.3I552I552-R554 PolarHBondContact O-N 3.28Å
555N44.4Very low39.8Very low144 Ų144132.1 Ų132.177%0.7766%0.664SS**THydrogen-bonded Turntrans-153.714.2178.762.4-3.9000115.8P553P553-N555 PolarHBondContact O-N 3.36Å
556S42.4Very low40.7Very low80 Ų80132.2 Ų132.256%0.55966%0.662SS**  trans-83.3115176.7490000112.6I558S556-I558 VanDerWaalsContact C-N 3.28Å; S556-I558 PolarHBondContact O-N 2.71Å
557D54.2Low41.6Very low84 Ų84132.4 Ų132.445%0.44967%0.666SS.*  trans-74.877.7177-170.6-16.2000111.8S559 Q560D557-S559 PolarHBondContact O-N 3.21Å; D557-S559 WeakPolarHBondContact OD1-CA 3.49Å; D557-S559 VanDerWaalsContact OD1-CB 3.3Å; D557-S559 WeakPolarHBondContact OD1-CB 3.34Å; D557-S559 PolarHBondContact OD1-N 3.13Å; D557-S559 VanDerWaalsContact OD1-N 3.12Å; D557-Q560 PolarHBondContact OD1-N 2.6Å; D557-Q560 VanDerWaalsContact OD2-CG 3.27Å; D557-Q560 WeakPolarHBondContact OD2-CG 3.08Å; D557-Q560 PolarHBondContact OD2-NE2 3.34Å
558I49.1Very low41.7Very low111 Ų111129 Ų12957%0.56966%0.659SS**Hα-helixtrans-62.5-26.1174.9-147.274.4000111.6S556 S561 Y562S556-I558 VanDerWaalsContact C-N 3.28Å; S556-I558 PolarHBondContact O-N 2.71Å; I558-S561 PolarHBondContact O-N 3.33Å; I558-Y562 HydrophobicContact CG1-CE2 4.39Å; I558-Y562 PolarHBondContact O-N 3.47Å
559S42.7Very low41.8Very low69 Ų69131.3 Ų131.348%0.48367%0.669SS.*Hα-helixtrans-70.6-32.5-174.5-50.30000113D557D557-S559 PolarHBondContact O-N 3.21Å; D557-S559 WeakPolarHBondContact OD1-CA 3.49Å; D557-S559 VanDerWaalsContact OD1-CB 3.3Å; D557-S559 WeakPolarHBondContact OD1-CB 3.34Å; D557-S559 PolarHBondContact OD1-N 3.13Å; D557-S559 VanDerWaalsContact OD1-N 3.12Å
560Q46.7Very low42Very low89 Ų89138 Ų13842%0.41668%0.678SS.*Hα-helixtrans-71.5-36.9173.1-85.7-170.957.500112.9D557 R563 R564D557-Q560 PolarHBondContact OD1-N 2.6Å; D557-Q560 VanDerWaalsContact OD2-CG 3.27Å; D557-Q560 WeakPolarHBondContact OD2-CG 3.08Å; D557-Q560 PolarHBondContact OD2-NE2 3.34Å; Q560-R563 PolarHBondContact O-N 2.79Å; Q560-R564 PolarHBondContact O-N 3.22Å
561S42.9Very low42.2Very low64 Ų64138.1 Ų138.145%0.44868%0.676SS.*Hα-helixtrans-67.1-42.9-178.7-70.30000112.3I558 R563 R564I558-S561 PolarHBondContact O-N 3.33Å; S561-R563 VanDerWaalsContact C-N 3.27Å; S561-R563 PolarHBondContact O-N 2.95Å; S561-R564 PolarHBondContact O-N 3.05Å
562Y42.8Very low41.9Very low150 Ų150137.2 Ų137.259%0.58868%0.681SS**Hα-helixtrans-60.4-35.4173.4-87.5-80.7000112.9I558 R564 M565I558-Y562 HydrophobicContact CG1-CE2 4.39Å; I558-Y562 PolarHBondContact O-N 3.47Å; Y562-R564 VanDerWaalsContact C-N 3.29Å; Y562-R564 PolarHBondContact O-N 3.14Å; Y562-M565 HydrophobicContact CD1-CE 4.3Å; Y562-M565 HydrophobicContact CE1-CE 4.45Å; Y562-M565 PolarHBondContact O-N 3.23Å
563R49.8Very low41.6Very low197 Ų197135.8 Ų135.874%0.74368%0.684SS**Hα-helixtrans-69.5-21.3178.8-114.4-178.2-73.1-152.90.7114.3Q560 S561Q560-R563 PolarHBondContact O-N 2.79Å; S561-R563 VanDerWaalsContact C-N 3.27Å; S561-R563 PolarHBondContact O-N 2.95Å
564R48.2Very low41.4Very low165 Ų165138.6 Ų138.662%0.62370%0.699SS**Hα-helixtrans-84.5-22.8176.9-66.1-174.8-173.594.86.5113.9Q560 S561 Y562Q560-R564 PolarHBondContact O-N 3.22Å; S561-R564 PolarHBondContact O-N 3.05Å; Y562-R564 VanDerWaalsContact C-N 3.29Å; Y562-R564 PolarHBondContact O-N 3.14Å
565M43.6Very low40.8Very low133 Ų133131.3 Ų131.366%0.65569%0.694SS**Hα-helixtrans-79-16-176.8-73.1-167.6-75.500114.9Y562Y562-M565 HydrophobicContact CD1-CE 4.3Å; Y562-M565 HydrophobicContact CE1-CE 4.45Å; Y562-M565 PolarHBondContact O-N 3.23Å
566F44.6Very low40Very low177 Ų177127.7 Ų127.778%0.77669%0.69SS**THydrogen-bonded Turntrans-101.312.2-177.9-78.4-77.6000115.3
567Q47.8Very low39.4Very low178 Ų178132.2 Ų132.283%0.83271%0.707SS**  trans-129.179.3173.5-67.9-165.37.800112.4
568A30.9Very low38.9Very low84 Ų84133.4 Ų133.469%0.69472%0.72SS**  trans-137.9118.217000000111.7
569K33Very low38Very low208 Ų208134.2 Ų134.290%0.90473%0.73SS**  trans88.591.9172-54.4172.6-178.7174.20118.2
570R36.5Very low37.3Very low244 Ų244136.6 Ų136.692%0.92174%0.742SS**  -123.6145.2122.2-92.9-175.3172152.9-0.4108.7
571P35.3Very low36.7Very low125 Ų125140.7 Ų140.781%0.81277%0.766SS**  trans-79.1151.5-177.932.7-35000111.8
572A30.1Very low36Very low104 Ų104140.7 Ų140.786%0.8678%0.775SS**  trans-106.1135.7171.500000110.5
573S30.3Very low36.2Very low109 Ų109139.6 Ų139.676%0.76279%0.787SS**  trans-134.4109175.8-73.20000111.5
574T30.8Very low35.3Very low140 Ų140133.9 Ų133.986%0.85978%0.782SS**  trans59.9137.4133.3-54.30000122
575A31Very low34.4Very low102 Ų102134.4 Ų134.484%0.84379%0.793SS**  trans82.9134.6165.600000118.5
576G28.3Very low33.8Very low68 Ų68134 Ų13470%0.70180%0.799SS**  cis163.1146-16.300000117
577L29.6Very low33.4Very low175 Ų175132.1 Ų132.192%0.91680%0.802SS**  trans66.4167.1160.9-58.4177.8000117.5
578P43.8Very low33.3Very low110 Ų110129.7 Ų129.771%0.71480%0.801SS**  cis-127.7-177.6-7.232.4-12.4000115.3
579T29.5Very low33.4Very low128 Ų128129.1 Ų129.179%0.78580%0.804SS**  trans122122.1141.6-52.90000117.6
580T28.9Very low33.7Very low119 Ų119125.7 Ų125.773%0.7380%0.8SS**  trans-57.9149.6-176520000118
581L32.5Very low33.6Very low175 Ų175118.4 Ų118.492%0.91679%0.792SS**  -175.9159.3111.6-95.5163.3000111.5
582G30.1Very low33.7Very low63 Ų63117.9 Ų117.965%0.64979%0.787SS**  trans-118.1-159.9169.800000111.1
583P46.9Very low34.1Very low127 Ų127119.5 Ų119.583%0.82578%0.779SS**  cis-141.9-169.39.442.9-23.4000116.4
584A30Very low34.5Very low78 Ų78123.9 Ų123.965%0.64578%0.779SS**  trans86.3110.414200000124.1
585M28.7Very low35.3Very low175 Ų175128 Ų12886%0.86278%0.779SS**  89.2153.7120.8-71.2171.348.900124.3
586V31.5Very low35.8Very low126 Ų126128.9 Ų128.976%0.76477%0.774SS**  trans84.1101.4162.2-160.60000120.3
587T36.4Very low37Very low137 Ų137131 Ų13184%0.8478%0.776SS**  trans-102.6152.6141.738.50000108.6
588P44.9Very low37.3Very low126 Ų126128 Ų12882%0.81877%0.769SS**  -156173.587.440.8-21000117.3
589G34.4Very low37.1Very low73 Ų73129.1 Ų129.175%0.75377%0.774SS**  trans175.1130.5165.600000112.3
590V37.5Very low37.7Very low135 Ų135132.4 Ų132.482%0.81878%0.777SS**  trans-147.8138.3-163.8172.20000115.9
591A36Very low38.4Very low92 Ų92132.6 Ų132.676%0.7678%0.781SS**  trans-150.1150.5143.400000109.4
592T36.4Very low38.3Very low114 Ų114129.7 Ų129.770%0.69978%0.775SS**  cis111.7139.60.4-60.30000115
593I39.1Very low38.5Very low138 Ų138132.6 Ų132.671%0.70878%0.78SS**  trans71.6138-179.5-79.6169.8000114.4
594R37.6Very low38Very low201 Ų201137.6 Ų137.676%0.75878%0.782SS**  cis-147138.5-14.3-101.7166.7-159.1-175.94.3107.2
595R49.3Very low38.3Very low225 Ų225145.4 Ų145.485%0.84980%0.795SS**  64.6131.484.1-62.9-166.9-176.6-178.41.6114.8
596T41.3Very low38.5Very low122 Ų122140.3 Ų140.375%0.74879%0.787SS**  cis-172.4-176.110.118.80000109.9
597P52.8Low38.6Very low113 Ų113141.3 Ų141.373%0.73479%0.794SS**  -142.6-175.7-63.343-23.5000117.2
598S36.4Very low38.9Very low111 Ų111142.8 Ų142.878%0.77680%0.795SS**  trans78.6149.7157.2-123.50000118.6
599T38.9Very low38.5Very low133 Ų133140.5 Ų140.582%0.81679%0.794SS**  cis-123.2-174.115.952.10000115
600K41Very low38.9Very low197 Ų197141.3 Ų141.386%0.85779%0.794SS**  trans-134.9175.4-169.4-80.1-172.5-177.1-179.60109.7
601P45.6Very low39.2Very low124 Ų124137.7 Ų137.781%0.80578%0.784SS**  cis-121.9-158.915.438.6-17.5000112.4
602S30.5Very low39.8Very low113 Ų113139.7 Ų139.779%0.7979%0.79SS**  cis-150.8-156.712.1-159.50000114.4
603V33.8Very low40.5Very low124 Ų124141 Ų14175%0.75279%0.791SS**  trans-147.7134.9-158.1171.90000113.4
604R35Very low40.5Very low232 Ų232139.9 Ų139.988%0.87579%0.792SS**  179115.4129.7-97.9178-172.7-144.32.2109.1
605R37.2Very low40.7Very low242 Ų242138.2 Ų138.291%0.91380%0.797SS**  63.4123.692.3-169.9-173.3-67.8-136.92.6113.3
606G31.8Very low40.4Very low68 Ų68136.7 Ų136.770%0.70180%0.797SS**  cis-174.3-175.91.400000113.8
607T35.3Very low40.5Very low148 Ų148136.5 Ų136.591%0.90880%0.795SS**  trans-83.1138.8-171.5120000114.6
608I41.9Very low40.4Very low167 Ų167137 Ų13786%0.85680%0.798SS**  trans-137.3139.2161.7-53.9178.7000107
609G37.3Very low40.8Very low78 Ų78138 Ų13880%0.80480%0.8SS**  trans-82.7136.5-178.600000113.3
610A41.6Very low41.1Very low90 Ų90138.5 Ų138.574%0.74480%0.796SS**  trans-144.2147.1162.400000108.6
611G45Very low41.2Very low60 Ų60134.7 Ų134.762%0.61979%0.791SS**  trans-69.1174.4172.200000112.3I613G611-I613 PolarHBondContact O-N 2.98Å
612P48.4Very low40.9Very low134 Ų134135 Ų13587%0.8779%0.791SS**  trans-58.2113.8176.324.6-33.5000110.7
613I50.1Low41.3Very low141 Ų141139.2 Ų139.272%0.72380%0.795SS**  trans-65.6132.8177.3-61.5172.3000108.3G611 I615G611-I613 PolarHBondContact O-N 2.98Å; I613-I615 PolarHBondContact O-N 3.27Å
614P40.5Very low41.8Very low114 Ų114138.5 Ų138.574%0.7479%0.791SS**  trans-59.9110.4178-24.934.7000111.8K616P614-K616 PolarHBondContact O-N 3.31Å; P614-K616 VanDerWaalsContact O-N 3.11Å
615I40.8Very low41.8Very low167 Ų167133.5 Ų133.586%0.85679%0.788SS**  trans-70.7106.8172.1-60.8177.5000107.4I613I613-I615 PolarHBondContact O-N 3.27Å
616K44.1Very low41.6Very low193 Ų193127.9 Ų127.984%0.83978%0.781SS**PPolyproline II helixtrans-62.2136.5170.6-67.9-177.2177.5-178.70109.3P614P614-K616 PolarHBondContact O-N 3.31Å; P614-K616 VanDerWaalsContact O-N 3.11Å
617T42.6Very low41.9Very low118 Ų118130.2 Ų130.272%0.72478%0.781SS**PPolyproline II helixtrans-58.9141.516845.60000110.3V619T617-V619 PolarHBondContact O-N 2.84Å
618P50Low42Very low123 Ų123129 Ų12980%0.79978%0.776SS**PPolyproline II helixtrans-64.3121.317826.5-33.6000110.3I620P618-I620 PolarHBondContact O-N 3.48Å
619V45Very low41.5Very low133 Ų133127.4 Ų127.481%0.80677%0.769SS**  trans-77114.1173.6177.80000108.2T617 P621T617-V619 PolarHBondContact O-N 2.84Å; V619-P621 WeakPolarHBondContact O-CD 3.38Å
620I45.3Very low41.6Very low142 Ų142130.4 Ų130.473%0.72877%0.766SS**  trans-73.3123.5170.7-57.8176.6000107.7P618 V622P618-I620 PolarHBondContact O-N 3.48Å; I620-V622 PolarHBondContact O-N 2.97Å; I620-V622 VanDerWaalsContact O-N 3.09Å
621P42.6Very low41.5Very low117 Ų117132.5 Ų132.576%0.7677%0.772SS**  trans-66.9109.4176.2-20.733.9000110.9V619 K623V619-P621 WeakPolarHBondContact O-CD 3.38Å; P621-K623 PolarHBondContact O-N 3.16Å
622V39.2Very low40.7Very low132 Ų132132.5 Ų132.580%0.877%0.772SS**  trans-71.1116.3172.6-178.90000108.4I620 T624I620-V622 PolarHBondContact O-N 2.97Å; I620-V622 VanDerWaalsContact O-N 3.09Å; V622-T624 PolarHBondContact O-N 3.43Å
623K39.8Very low39.8Very low201 Ų201134.9 Ų134.987%0.87477%0.774SS**  trans-75.1107.2168.3-76.4-173.2174.9-176.30109.1P621P621-K623 PolarHBondContact O-N 3.16Å
624T43.8Very low38.9Very low109 Ų109135.6 Ų135.667%0.66978%0.778SS**  trans-62135.3161.4450000109.8V622 T626V622-T624 PolarHBondContact O-N 3.43Å; T624-T626 PolarHBondContact O-N 3.2Å
625P36Very low38.9Very low127 Ų127136.2 Ų136.283%0.82578%0.782SS**  trans-72.7112.3171.229.3-32.1000109.7
626T32.8Very low38.5Very low123 Ų123132.4 Ų132.476%0.75578%0.776SS**PPolyproline II helixtrans-85.1124.1174.1-56.40000109.9T624T624-T626 PolarHBondContact O-N 3.2Å
627V36.8Very low38.5Very low117 Ų117129 Ų12971%0.70977%0.773SS**PPolyproline II helixtrans-75.7131.4169.3-1800000109.3
628P37.6Very low38.9Very low124 Ų124128 Ų12881%0.80577%0.769SS**PPolyproline II helixtrans-85.3124.9167.8-0.919.8000110.1
629D31.8Very low38Very low132 Ų132130 Ų13071%0.70677%0.773SS**  trans-114.5124.7-176.2-124.9-10.4000111.7
630L39.2Very low37Very low142 Ų142126.8 Ų126.874%0.74377%0.767SS**  trans59.2143.9143.6-64.7171.6000119.8
631P40.1Very low37.2Very low133 Ų133125.2 Ų125.286%0.86477%0.766SS**  -134.9162.464.338.9-23.8000115.3
632G29.1Very low36.7Very low60 Ų60127.8 Ų127.862%0.61977%0.768SS**  cis163.6177.4-5.400000113
633M28.5Very low36.3Very low185 Ų185128.7 Ų128.791%0.91176%0.764SS**  trans78.8125.1171.8-147.163.167.800118.5
634L32.4Very low35.9Very low155 Ų155128.5 Ų128.581%0.81276%0.757SS**  trans-99.4168.4166.2-60.6168.9000109.4
635P40.7Very low35Very low127 Ų127126.5 Ų126.583%0.82576%0.759SS**  -143.9153.785.436.7-20.3000115.5
636A32.2Very low34.7Very low87 Ų87128.2 Ų128.272%0.71976%0.756SS**  trans-92.4173.215600000109.1
637P43.5Very low34.4Very low121 Ų121130.7 Ų130.779%0.78676%0.758SS**  -146-143.269.633.6-7.3000112.5
638P50.3Low33.9Very low98 Ų98130.3 Ų130.364%0.63676%0.761SS**  -126175.7-90.239.6-23.3000114.5
639D30.7Very low34.5Very low164 Ų164129.2 Ų129.288%0.87775%0.754SS**  167.2163.4123.8-85.8-25.2000112.3
640G25.4Very low34.2Very low67 Ų67131.6 Ų131.669%0.69176%0.761SS**  trans-124.5-153.6173.200000111.3
641P48.5Very low33.8Very low109 Ų109130 Ų13071%0.70876%0.762SS**  cis-140.4-168.72.343.8-24.8000115.4
642E32.2Very low34.2Very low170 Ų170129.6 Ų129.679%0.79476%0.759SS**  trans66.4138.6147.2-78.8170.5147.500125.3
643E31.6Very low34.2Very low152 Ų152131 Ų13171%0.7176%0.759SS**  trans55163.2142.4-69.1-104108.900120.8
644R29.9Very low34.5Very low196 Ų196129.4 Ų129.474%0.7476%0.76SS**  cis-176.8127.2-29.3162.6-170.1-95-91.3-0.1108.6
645G26.5Very low34.2Very low68 Ų68125.1 Ų125.170%0.70175%0.753SS**  trans57.7-167.1164.700000116.3
646E28.2Very low33.8Very low162 Ų162128.9 Ų128.976%0.75776%0.759SS**  cis-164.6145.1-44.6-124.9178.4148.100109
647H28.1Very low33.5Very low176 Ų176128.1 Ų128.182%0.81576%0.76SS**  trans61.8115.4162.6-57.3-55.6000124.2
648S25.7Very low33.7Very low109 Ų109127.9 Ų127.976%0.76276%0.759SS**  59.4177.9122.7-113.70000121.5
649P49.8Very low32.7Very low101 Ų101132.5 Ų132.566%0.65677%0.772SS**  cis-135.9-161-14.137.9-16.7000115.3
650E25Very low32.6Very low182 Ų182127.8 Ų127.885%0.8576%0.762SS**  trans93162.6147.9-81.8-180113.400124.1
651S31.5Very low32.7Very low109 Ų109132 Ų13276%0.76277%0.774SS**  trans-142.8172.2-170.1-48.20000110.1
652P47.6Very low31.6Very low123 Ų123131 Ų13180%0.79978%0.775SS**  -154.5-141.383.941.9-18.2000112
653S30.8Very low31.3Very low91 Ų91128 Ų12864%0.63677%0.772SS**  cis-168.8142.4-4.244.20000112.2
654V33.8Very low31.1Very low151 Ų151128.9 Ų128.992%0.91578%0.779SS**  trans64151.5144.3175.70000118.2
655G27.4Very low32.1Very low65 Ų65124.7 Ų124.767%0.6778%0.777SS**  cis-161.9-147.110.900000115.8
656E30.6Very low32.1Very low205 Ų205126.4 Ų126.496%0.95878%0.778SS**  trans-96.6179.4-153.8-65.5164.385.300118.6
657G27.5Very low32.3Very low72 Ų72123.2 Ų123.274%0.74277%0.774SS**  trans-84-144.2-179.500000115.7
658P46.5Very low32.4Very low116 Ų116122.1 Ų122.175%0.75377%0.771SS**  cis-145.4-155.217.738.7-13.5000116.3
659Q29.4Very low32.5Very low194 Ų194127.5 Ų127.591%0.90777%0.774SS**  trans73.8155.4165.2-63.8168.7-6.200119.4
660G28.2Very low31.7Very low65 Ų65127.8 Ų127.867%0.6778%0.779SS**  cis157.1128-16.500000116.9
661V27.4Very low31.8Very low157 Ų157122.1 Ų122.195%0.95277%0.769SS**  trans59.3160.6166.4-111.50000118.3
662A25.3Very low31.7Very low88 Ų88126.5 Ų126.573%0.72778%0.778SS**  cis-153.2140.9-5.400000108.7
663S26.4Very low30.7Very low105 Ų105124.8 Ų124.873%0.73477%0.774SS**  95.5109.676.6-171.80000118.1
664M27.5Very low30.6Very low171 Ų171126 Ų12684%0.84278%0.782SS**  trans68.6167.1145.9-70.7-66157.200121.5
665P50.5Low30.4Very low108 Ų108125 Ų12570%0.70178%0.777SS**  cis-122.1166.7-15.832.3-13.4000114
666S26.9Very low30.4Very low105 Ų105129 Ų12973%0.73478%0.782SS**  158.5167.592.6-88.60000110.7
667S31.5Very low31.6Very low94 Ų94124.5 Ų124.566%0.65777%0.771SS**  cis-175.1120.5-28.857.70000112.9
668M32Very low32.1Very low154 Ų154127.1 Ų127.176%0.75978%0.775SS**  trans68.9155159.4-47.6-1778600117.8
669W28Very low31.6Very low221 Ų221129.5 Ų129.584%0.83778%0.78SS**  cis-147.1166.722.4-159.5-82.3000114.3
670S31Very low32.5Very low108 Ų108126.1 Ų126.176%0.75578%0.775SS**  trans-44.9163.1-177.8-158.30000119.4
671G28Very low32.7Very low62 Ų62126.6 Ų126.664%0.63978%0.78SS**  cis149.9160.6-7.300000115.7
672Q29.8Very low33.4Very low201 Ų201125.6 Ų125.694%0.93978%0.777SS**  trans61.5161.9172.9-68.8-169.7-17.900119.9
673A25.6Very low33.7Very low87 Ų87130.7 Ų130.772%0.71978%0.783SS**  cis-172.3152.6-37.500000113.4
674S29.3Very low34.1Very low116 Ų116130.8 Ų130.881%0.81178%0.78SS**  trans85.6142.5144.9-131.20000125.3
675V29.6Very low34Very low132 Ų132127.4 Ų127.480%0.877%0.774SS**  trans63.2146.1158.6-129.40000124.4
676N27.7Very low33.1Very low148 Ų148129.4 Ų129.479%0.79178%0.777SS**  trans-95.1-174.9166.9-85.6-71.5000111.5
677P55.8Low33.5Very low111 Ų111130.1 Ų130.172%0.72178%0.779SS**  -127.2-173.4-55.140.1-24.4000111.6
678P38.5Very low33.4Very low126 Ų126133.9 Ų133.982%0.81879%0.786SS**  trans-153.2179.113636.7-17.5000118.2
679L35.6Very low33.3Very low166 Ų166132.5 Ų132.587%0.86978%0.778SS**  trans-139176.5170.9-80.4172.2000108
680P48.3Very low33.3Very low124 Ų124131.3 Ų131.381%0.80578%0.781SS**  cis-136.9177.1-28.536.6-17.9000115.7
681G30.9Very low33.3Very low74 Ų74134.7 Ų134.776%0.76378%0.778SS**  trans92.5173.9159.600000117.9
682P43Very low33.3Very low137 Ų137140.1 Ų140.189%0.8979%0.786SS**  cis-131.4-149.12.244-25.8000115.3
683K32Very low33.2Very low195 Ų195134.4 Ų134.485%0.84877%0.774SS**  trans-120.6171.3-170.7-57.4178.9175.6177.50116.3
684P33.6Very low33.4Very low106 Ų106138 Ų13869%0.68878%0.779SS**  trans-97.1167.2142.36.216.6000112.2
685S26.6Very low34.1Very low101 Ų101137.2 Ų137.271%0.70677%0.771SS**  cis75.1113.729.772.80000115.6
686I32.1Very low34Very low150 Ų150139.3 Ų139.377%0.76977%0.772SS**  cis87.8131.537.9-63.3171.1000113.8
687P34.6Very low34.1Very low120 Ų120138.2 Ų138.278%0.77978%0.776SS**  trans-111.3154.8133.8-11.330.5000114.5
688E29.2Very low32.8Very low172 Ų172142 Ų14280%0.80478%0.784SS**  trans-61.8142.9-172-72128.5118.900115.7
689E29.3Very low32.5Very low125 Ų125140.4 Ų140.458%0.58478%0.782SS**  68.7118.268.2-140.5-153.9150.700114.5R691E689-R691 IonicContact OE1-CZ 3.11Å; E689-R691 IonicContact OE1-NE 2.78Å; E689-R691 PolarHBondContact OE1-NE 3.4Å; E689-R691 IonicContact OE1-NH2 3.46Å; E689-R691 PolarHBondContact OE1-NH2 3.08Å
690H29.1Very low32.3Very low196 Ų196141.3 Ų141.391%0.90778%0.781SS**  trans-151.5152.8137.5-107.570.2000110
691R29.8Very low31.5Very low180 Ų180142.3 Ų142.368%0.67978%0.78SS**  trans-88.2176.7-169.2-59.2174.7-178.4165.4-1111.2E689E689-R691 IonicContact OE1-CZ 3.11Å; E689-R691 IonicContact OE1-NE 2.78Å; E689-R691 PolarHBondContact OE1-NE 3.4Å; E689-R691 IonicContact OE1-NH2 3.46Å; E689-R691 PolarHBondContact OE1-NH2 3.08Å
692Q28.6Very low31.5Very low175 Ų175146.7 Ų146.782%0.81878%0.781SS**  cis-163171.524.8-148.3143.9-9.700113.3
693A27.8Very low30.9Very low82 Ų82148.2 Ų148.268%0.67878%0.776SS**  trans-27.4138.817600000119.2
694I30.6Very low30.8Very low162 Ų162150.4 Ų150.483%0.83178%0.779SS**  57.2132.176.6-63.8173.5000112.4
695P43.3Very low30.6Very low99 Ų99152.6 Ų152.664%0.64378%0.784SS**  cis-137-179.123.330.1-5.4000118.5
696E27.8Very low32.2Very low177 Ų177152.7 Ų152.783%0.82778%0.783SS**  trans34.9135.1142.5-64.1164.3137.700123.7
697S28.9Very low33Very low125 Ų125150.8 Ų150.887%0.87478%0.78SS**  -177.6168.6123.7-780000112.6
698E28.8Very low32.9Very low191 Ų191150.9 Ų150.989%0.89378%0.784SS**  trans-102.7-165.4-168.9-58.1169.7102.400114.2
699A32.1Very low33.1Very low92 Ų92146.4 Ų146.476%0.7678%0.776SS**  trans70.8155.5173.500000116.8
700E31.4Very low33.2Very low185 Ų185147.1 Ų147.186%0.86479%0.789SS**  cis174.8121.6-37-112.9-174.7139.700105.1
701D32.1Very low33.3Very low144 Ų144144 Ų14477%0.7778%0.784SS**  trans66.3159.4144.3-157.136.7000124
702Q29.7Very low33.3Very low167 Ų167140.4 Ų140.478%0.7879%0.786SS**  trans105.8142.7144.5-139.1149.4110.600121.4
703E32.2Very low34.5Very low169 Ų169138.2 Ų138.279%0.7979%0.787SS**  trans-73.4157.6-167.3-52.8171.378.900116.4
704R29.5Very low34.5Very low241 Ų241137.9 Ų137.991%0.90979%0.792SS**  176.2152.7106.9-94.7177.3-162.1-177.58.9115.8
705D28.6Very low34.4Very low151 Ų151139.8 Ų139.881%0.80780%0.797SS**  trans-116-178.5167.2-118-24.3000108.8
706P61.4Low33.8Very low104 Ų104142.8 Ų142.868%0.67581%0.806SS**  -117.8-154.9-53.437-18.3000109.3
707P48.7Very low34.5Very low109 Ų109139.4 Ų139.471%0.70880%0.8SS**  -162153.174.141.3-18.5000120.5
708S31.7Very low34.5Very low123 Ų123142 Ų14286%0.8680%0.798SS**  trans61.8170.4143.1-52.30000120.2
709A32.9Very low34.4Very low78 Ų78138.2 Ų138.265%0.64579%0.793SS**  cis-156.7153.810.900000115.2
710T31.4Very low34.3Very low139 Ų139141.2 Ų141.285%0.85380%0.796SS**  trans62.6161.1148.253.60000119.9
711V31.6Very low34.9Very low132 Ų132137.8 Ų137.880%0.879%0.79SS**  cis-149178.56.289.30000112.3
712S29.8Very low34.8Very low104 Ų104135 Ų13573%0.72779%0.786SS**  trans-133.9-167174.7-490000109.6
713P53.4Low34.7Very low129 Ų129134.2 Ų134.284%0.83879%0.788SS**  cis-142.2-168.9-1.744.7-25.1000116.4
714G28.2Very low34.7Very low75 Ų75133.5 Ų133.577%0.77379%0.788SS**  trans103.4150.3160.300000116
715Q29.3Very low34.6Very low201 Ų201127.2 Ų127.294%0.93978%0.781SS**  cis-151.9179.8-5.1-125.8176.2-8.200110.1
716I29.5Very low35.3Very low162 Ų162125 Ų12583%0.83178%0.775SS**  trans-133.4131.6-161.1-72.1166.8000110.1
717P44.2Very low33.8Very low107 Ų107130.8 Ų130.870%0.69578%0.784SS**  -151.3179.599.741.8-23.5000117.2
718E28.1Very low32.9Very low178 Ų178132 Ų13283%0.83279%0.785SS**  trans12.9150.2145.2-58.1169.7115.700121.1
719S27.5Very low32.9Very low113 Ų113132.2 Ų132.279%0.7978%0.78SS**  cis-154.7157.232.5-42.70000115
720D30.2Very low33.5Very low154 Ų154134 Ų13482%0.82479%0.786SS**  trans-87.6174.2153.3-111.5-37.5000109.4
721P43.9Very low33.8Very low113 Ų113136.2 Ų136.273%0.73479%0.786SS**  cis-139.3-16914.341.5-21.3000116.6
722A29.2Very low34.4Very low85 Ų85133.1 Ų133.170%0.70278%0.781SS**  trans92.398.7137.600000122.2
723D27.5Very low35.1Very low152 Ų152136 Ų13681%0.81378%0.783SS**  84.2170.9117-1495.8000120.4
724L31.2Very low35.2Very low153 Ų153135 Ų13580%0.80177%0.771SS**  trans84.286.4174.4-51.2-173.7000118.7
725S28.7Very low36.2Very low109 Ų109138.2 Ų138.276%0.76277%0.767SS**  trans-70.8170.7136.9-137.20000109.8
726P42.9Very low37.5Very low105 Ų105134.2 Ų134.268%0.68275%0.752SS**  cis-144.1179.212.344.3-25.9000117.9
727R30.3Very low38.8Very low225 Ų225130 Ų13085%0.84973%0.731SS**  trans67.9151160.5-78.2-175.1177-149.8-1.4116.6
728D29.5Very low39.4Very low136 Ų136127.5 Ų127.573%0.72772%0.72SS**  cis-137.9-178.931.3-104.9-40.1000115.6
729T32.3Very low40.8Very low126 Ų126125.2 Ų125.277%0.77371%0.712SS**  trans-139.4164.2173.758.40000109.6
730P45.9Very low42.2Very low117 Ų117128.9 Ų128.976%0.7671%0.708SS**  cis-131.3170.8-2.540.8-26.3000114.3
731Q37.1Very low43.7Very low184 Ų184132.2 Ų132.286%0.8671%0.709SS**  trans-151.5116.1143.4-145.81641.900111.1
732G43.6Very low43.9Very low67 Ų67129.5 Ų129.569%0.69170%0.702SS**  trans-115.875.7-167.200000113.9
733E43.7Very low44.9Very low165 Ų165131.2 Ų131.277%0.77170%0.703SS**  trans-126.7-20.4175.1-78.8176164.900114.4
734D55.5Low45.9Very low108 Ų108133.8 Ų133.858%0.57871%0.707SS**THydrogen-bonded Turntrans-91.7-5.8-168.3-157.841.9000115.9L736 N737 A738D734-L736 PolarHBondContact O-N 3.21Å; D734-N737 WeakPolarHBondContact O-CB 3.35Å; D734-N737 PolarHBondContact O-N 2.83Å; D734-N737 WeakPolarHBondContact OD1-CB 3.37Å; D734-N737 PolarHBondContact OD1-ND2 3.43Å; D734-A738 PolarHBondContact O-N 3.26Å; D734-A738 VanDerWaalsContact O-N 3.13Å
735M51.3Low46.8Very low143 Ų143134 Ų13470%0.70471%0.709SS**Hα-helixtrans-60.5-32-179.1-75.2-170.2-73.600113.4N737 A738 I739M735-N737 PolarHBondContact O-N 2.76Å; M735-A738 PolarHBondContact O-N 3.47Å; M735-I739 WeakPolarHBondContact O-CG1 3.49Å; M735-I739 PolarHBondContact O-N 3.39Å; M735-I739 VanDerWaalsContact O-N 3.16Å
736L56.3Low47.7Very low116 Ų116138.4 Ų138.461%0.60771%0.714SS**Hα-helixtrans-74.1-10.8177.1-63.4177.9000113.5D734 R740D734-L736 PolarHBondContact O-N 3.21Å; L736-R740 PolarHBondContact O-NE 2.86Å; L736-R740 PolarHBondContact O-NH2 3.18Å; L736-R740 VanDerWaalsContact O-NH2 3.08Å
737N55.3Low47.8Very low74 Ų74142.8 Ų142.840%0.39672%0.722SS.*Hα-helixtrans-94-37.4171-61.9-31.7000111D734 M735 I739 R740 R741D734-N737 WeakPolarHBondContact O-CB 3.35Å; D734-N737 PolarHBondContact O-N 2.83Å; D734-N737 WeakPolarHBondContact OD1-CB 3.37Å; D734-N737 PolarHBondContact OD1-ND2 3.43Å; M735-N737 PolarHBondContact O-N 2.76Å; N737-I739 PolarHBondContact O-N 2.91Å; N737-R740 PolarHBondContact O-N 2.81Å; N737-R741 PolarHBondContact O-N 2.88Å
738A56.7Low48.1Very low55 Ų55137.9 Ų137.946%0.45572%0.717SS.*Hα-helixtrans-57.5-46.4173.700000112.3D734 M735 R740 R741D734-A738 PolarHBondContact O-N 3.26Å; D734-A738 VanDerWaalsContact O-N 3.13Å; M735-A738 PolarHBondContact O-N 3.47Å; A738-R740 VanDerWaalsContact C-N 3.3Å; A738-R740 PolarHBondContact O-N 2.82Å; A738-R741 PolarHBondContact O-N 2.89Å
739I59Low48.7Very low130 Ų130137.9 Ų137.967%0.66772%0.722SS**Hα-helixtrans-60.8-39.2177.6-66.3166.4000111.4M735 N737 R741M735-I739 WeakPolarHBondContact O-CG1 3.49Å; M735-I739 PolarHBondContact O-N 3.39Å; M735-I739 VanDerWaalsContact O-N 3.16Å; N737-I739 PolarHBondContact O-N 2.91Å; I739-R741 VanDerWaalsContact C-N 3.3Å; I739-R741 PolarHBondContact O-N 2.94Å
740R55.8Low49Very low189 Ų189138 Ų13871%0.71372%0.724SS**Hα-helixtrans-74.1-10.3-178-97.2-179.8-72.8-135.34.4115.3L736 N737 A738L736-R740 PolarHBondContact O-NE 2.86Å; L736-R740 PolarHBondContact O-NH2 3.18Å; L736-R740 VanDerWaalsContact O-NH2 3.08Å; N737-R740 PolarHBondContact O-N 2.81Å; A738-R740 VanDerWaalsContact C-N 3.3Å; A738-R740 PolarHBondContact O-N 2.82Å
741R61.4Low48.9Very low224 Ų224139.5 Ų139.585%0.84573%0.725SS**Hα-helixtrans-98.7-7.6179.7-79-176.6170.3156.1-0.9115.2N737 A738 I739N737-R741 PolarHBondContact O-N 2.88Å; A738-R741 PolarHBondContact O-N 2.89Å; I739-R741 VanDerWaalsContact C-N 3.3Å; I739-R741 PolarHBondContact O-N 2.94Å
742G48.9Very low49.1Very low57 Ų57136.9 Ų136.959%0.58872%0.717SS**  trans74.5110.8175.600000113.8K744G742-K744 PolarHBondContact O-N 3.07Å
743V49.6Very low49.4Very low120 Ų120144.5 Ų144.573%0.72773%0.725SS**  trans-77.9107.7-178.5-178.10000110.6L745V743-L745 HydrophobicContact CG1-CD2 4.41Å; V743-L745 PolarHBondContact O-N 3.31Å; V743-L745 VanDerWaalsContact O-N 3.13Å
744K49.8Very low49.5Very low206 Ų206141.7 Ų141.790%0.89672%0.723SS**  trans-75.397.8175.9-167.5172.4-174.2174.60110.4G742 K746G742-K744 PolarHBondContact O-N 3.07Å; K744-K746 PolarHBondContact O-N 3.12Å
745L48.3Very low48.9Very low159 Ų159140.6 Ų140.683%0.83273%0.729SS**  trans-59.9129.8-177.4-64176.2000112.1V743V743-L745 HydrophobicContact CG1-CD2 4.41Å; V743-L745 PolarHBondContact O-N 3.31Å; V743-L745 VanDerWaalsContact O-N 3.13Å
746K49.2Very low48.6Very low200 Ų200138.9 Ų138.987%0.8773%0.729SS**  trans-86.7119.3177.4-173.3177179.6-1790109.6K744 T748K744-K746 PolarHBondContact O-N 3.12Å; K746-T748 PolarHBondContact O-N 2.93Å
747K43.8Very low48.2Very low198 Ų198145.1 Ų145.186%0.86174%0.744SS**  trans-62.7114.8-177.8-168.6175.3-175.3178.70111
748T37.6Very low47.6Very low121 Ų121150.7 Ų150.774%0.74277%0.765SS**  trans-85.5131.2173.241.30000110.9K746K746-T748 PolarHBondContact O-N 2.93Å
749T40.8Very low47.2Very low136 Ų136157.2 Ų157.283%0.83481%0.808SS**  trans-98.494.8176.148.50000110.6
750T40.3Very low46.6Very low130 Ų130158.6 Ų158.680%0.79882%0.815SS**  trans-90.9113.3171.345.20000110.1D752T750-D752 PolarHBondContact O-N 2.95Å
751N43.1Very low46.1Very low147 Ų147157 Ų15779%0.78682%0.82SS**  trans-8886.1174.5178.122.5000109.3
752D42Very low45.2Very low129 Ų129153.3 Ų153.369%0.6982%0.819SS**  trans-92.4132.9168.2-162-20.3000109.2T750 S754T750-D752 PolarHBondContact O-N 2.95Å; D752-S754 WeakPolarHBondContact OD1-CB 3.34Å; D752-S754 PolarHBondContact OD1-N 3.46Å; D752-S754 PolarHBondContact OD1-OG 2.82Å
753R49Very low45Very low227 Ų227158.9 Ų158.986%0.85783%0.832SS**  trans-12632.5-169.3-141.6177.3-167.1-164.83.2112.1
754S46.3Very low44.7Very low106 Ų106161.4 Ų161.474%0.74184%0.839SS**  trans-112.748.1-164.6-46.70000113.2D752D752-S754 WeakPolarHBondContact OD1-CB 3.34Å; D752-S754 PolarHBondContact OD1-N 3.46Å; D752-S754 PolarHBondContact OD1-OG 2.82Å
755A43.2Very low44.4Very low85 Ų85158.4 Ų158.470%0.70284%0.835SS**  trans-127.2135.8177.200000111.3
756P45Very low44.1Very low107 Ų107158.4 Ų158.470%0.69584%0.835SS**PPolyproline II helixtrans-71.2147.5176.930.8-34.6000111.1F758P756-F758 HydrophobicContact CB-CE2 4.33Å; P756-F758 HydrophobicContact CG-CE2 4.05Å
757R47.7Very low43.7Very low247 Ų247155.2 Ų155.293%0.93283%0.833SS**PPolyproline II helixtrans-90.3123.8166.5-77.5178.6159.2-169.8-10109
758F41.6Very low43.7Very low192 Ų192151.6 Ų151.684%0.84283%0.83SS**PPolyproline II helixtrans-98.6153.4156.3-68.8-80.4000108.9P756P756-F758 HydrophobicContact CB-CE2 4.33Å; P756-F758 HydrophobicContact CG-CE2 4.05Å
759S48.3Very low44.3Very low192 Ų192154.4 Ų154.4100%1.34384%0.838SS**  trans-120.20-175.157.10000110.1

Retrieved 759 of 759 residues in 142.6 ms (Link to these results)

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