A0A087XGT8_POEFO Loading...

Interferon-induced protein with tetratricopeptide repeats 10

AlphaFold DB , UniProt , Accession A0A087XGT8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 490 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
1M44Very low57.7Low221 Ų22188.7 Ų88.7100%1.08957%0.566SS**  0-4.90-81.6-176.316500113.5
2S40Very low60.2Low87 Ų8782.5 Ų82.561%0.60853%0.525SS*.  trans-83.9-24.9175.544.30000114.6S5S2-S5 PolarHBondContact O-OG 3.29Å
3D39.6Very low62.4Low130 Ų13082 Ų8270%0.69551%0.51SS*.Hα-helixtrans-84.4-20.6-175.8-68.2-28000114.7S6D3-S6 PolarHBondContact O-OG 3.24Å; D3-S6 VanDerWaalsContact O-OG 3.13Å
4S48.6Very low64.2Low79 Ų7980.3 Ų80.355%0.55250%0.503SS*.Hα-helixtrans-81.9-27.1176.455.30000112.9S8S4-S8 WeakPolarHBondContact O-CB 3.48Å; S4-S8 PolarHBondContact O-N 3.2Å; S4-S8 PolarHBondContact O-OG 2.95Å
5S52.2Low65.8Low69 Ų6978.1 Ų78.148%0.48349%0.485SS..Hα-helixtrans-76-31.9174.547.90000112.8S2 S8 S9S2-S5 PolarHBondContact O-OG 3.29Å; S5-S8 WeakPolarHBondContact CA-OG 3.47Å; S5-S8 PolarHBondContact O-OG 3.46Å; S5-S9 VanDerWaalsContact O-CB 3.29Å; S5-S9 WeakPolarHBondContact O-CB 3.49Å; S5-S9 PolarHBondContact O-N 3.31Å; S5-S9 VanDerWaalsContact O-N 3.17Å
6S56.3Low67.4Low69 Ų6973.2 Ų73.248%0.48345%0.454SS..Hα-helixtrans-74.6-39.7178.564.30000112D3 S10D3-S6 PolarHBondContact O-OG 3.24Å; D3-S6 VanDerWaalsContact O-OG 3.13Å; S6-S10 WeakPolarHBondContact O-CB 3.33Å; S6-S10 PolarHBondContact O-N 2.88Å
7S59.9Low68.8Low75 Ų7575.5 Ų75.552%0.52446%0.458SS..Hα-helixtrans-70.7-38.6178.1800000112.8S10 A11S7-S10 PolarHBondContact O-N 2.92Å; S7-A11 PolarHBondContact O-N 2.8Å
8S64.4Low69.9Low69 Ų6979.1 Ų79.148%0.48347%0.469SS..Hα-helixtrans-68.6-36.4175.552.90000112.7S4 S5 L12S4-S8 WeakPolarHBondContact O-CB 3.48Å; S4-S8 PolarHBondContact O-N 3.2Å; S4-S8 PolarHBondContact O-OG 2.95Å; S5-S8 WeakPolarHBondContact CA-OG 3.47Å; S5-S8 PolarHBondContact O-OG 3.46Å; S8-L12 WeakPolarHBondContact O-CB 3.37Å; S8-L12 PolarHBondContact O-N 3.39Å
9S67.1Low71Confident39 Ų3975.5 Ų75.527%0.27345%0.448SS..Hα-helixtrans-65.1-39.7172.4-178.70000112.3S5 F13S5-S9 VanDerWaalsContact O-CB 3.29Å; S5-S9 WeakPolarHBondContact O-CB 3.49Å; S5-S9 PolarHBondContact O-N 3.31Å; S5-S9 VanDerWaalsContact O-N 3.17Å; S9-F13 WeakPolarHBondContact O-CB 3.33Å; S9-F13 PolarHBondContact O-N 3.46Å
10S77.9Confident72.1Confident82 Ų8274.3 Ų74.357%0.57344%0.437SS*.Hα-helixtrans-65.5-43.5176.1-175.90000112.2S6 S7 F13 S14S6-S10 WeakPolarHBondContact O-CB 3.33Å; S6-S10 PolarHBondContact O-N 2.88Å; S7-S10 PolarHBondContact O-N 2.92Å; S10-F13 PolarHBondContact O-N 3.42Å; S10-S14 PolarHBondContact O-N 2.69Å
11A84.9Confident73.1Confident56 Ų5670.7 Ų70.746%0.46342%0.416SS..Hα-helixtrans-64.3-43.8176.200000112.4S7 F13 S14 M15S7-A11 PolarHBondContact O-N 2.8Å; A11-F13 VanDerWaalsContact C-N 3.33Å; A11-F13 PolarHBondContact O-N 3.14Å; A11-S14 PolarHBondContact O-N 3.41Å; A11-M15 WeakPolarHBondContact O-CG 3.23Å; A11-M15 PolarHBondContact O-N 2.91Å
12L87.6Confident75.5Confident14 Ų1460.2 Ų60.27%0.07336%0.364CS..Hα-helixtrans-62.5-40.7176.4178.960.5000111.7S8 M15 L16 Y110 F115 Q119S8-L12 WeakPolarHBondContact O-CB 3.37Å; S8-L12 PolarHBondContact O-N 3.39Å; L12-M15 WeakPolarHBondContact O-CB 3.04Å; L12-M15 PolarHBondContact O-N 3.05Å; L12-L16 HydrophobicContact CD1-CG 4.5Å; L12-L16 HydrophobicContact CG-CD1 4.18Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 3.45Å; L12-Y110 HydrophobicContact CD2-CD2 3.85Å; L12-Y110 HydrophobicContact CD2-CE2 4.2Å; L12-Y110 HydrophobicContact CG-CD2 4.16Å; L12-Y110 HydrophobicContact CG-CE2 4.37Å; L12-F115 HydrophobicContact CD2-CB 4.13Å; L12-F115 HydrophobicContact CD2-CD1 4.15Å; L12-Q119 HydrophobicContact CD1-CB 4.16Å
13F88.5Confident77.9Confident76 Ų7657.9 Ų57.933%0.33334%0.343SS..Hα-helixtrans-62.1-43.1176.2-176.2-102.2000112.1S9 S10 A11 M15 L16 Q17 W107 Y110S9-F13 WeakPolarHBondContact O-CB 3.33Å; S9-F13 PolarHBondContact O-N 3.46Å; S10-F13 PolarHBondContact O-N 3.42Å; A11-F13 VanDerWaalsContact C-N 3.33Å; A11-F13 PolarHBondContact O-N 3.14Å; F13-M15 VanDerWaalsContact C-N 3.33Å; F13-M15 PolarHBondContact O-N 2.77Å; F13-L16 WeakPolarHBondContact O-CB 3.37Å; F13-L16 PolarHBondContact O-N 3Å; F13-Q17 HydrophobicContact CD1-CG 4.39Å; F13-Q17 VanDerWaalsContact CE1-CD 3.42Å; F13-Q17 HydrophobicContact CE1-CG 4.05Å; F13-Q17 HydrophobicContact CZ-CG 4.23Å; F13-Q17 WeakPolarHBondContact O-CG 3.32Å; F13-Q17 PolarHBondContact O-N 3.3Å; F13-W107 HydrophobicContact CD2-CH2 4.22Å; F13-W107 HydrophobicContact CD2-CZ3 4.37Å; F13-W107 AromaticContact CE2-CH2 3.77Å; F13-W107 HydrophobicContact CE2-CH2 3.77Å; F13-W107 AromaticContact CE2-CZ3 3.99Å; F13-W107 HydrophobicContact CE2-CZ3 3.99Å; F13-W107 HydrophobicContact CZ-CH2 4.46Å; F13-Y110 AromaticContact CD2-CE1 3.98Å; F13-Y110 HydrophobicContact CD2-CE1 3.98Å; F13-Y110 AromaticContact CD2-CZ 3.95Å
14S88.5Confident80.4Confident58 Ų5853.3 Ų53.341%0.40632%0.32SS..Hα-helixtrans-61.3-40.3174.9-177.10000112.3S10 A11 Q17S10-S14 PolarHBondContact O-N 2.69Å; A11-S14 PolarHBondContact O-N 3.41Å; S14-Q17 PolarHBondContact O-N 3.48Å
15M87.8Confident82.4Confident47 Ų4749.9 Ų49.923%0.23230%0.295CS..Hα-helixtrans-61.9-44.6173.7-68.1172.971.600111.8A11 L12 F13 Q17 Q18 L19 C122 Q126A11-M15 WeakPolarHBondContact O-CG 3.23Å; A11-M15 PolarHBondContact O-N 2.91Å; L12-M15 WeakPolarHBondContact O-CB 3.04Å; L12-M15 PolarHBondContact O-N 3.05Å; F13-M15 VanDerWaalsContact C-N 3.33Å; F13-M15 PolarHBondContact O-N 2.77Å; M15-Q17 VanDerWaalsContact C-N 3.31Å; M15-Q17 PolarHBondContact O-N 3.3Å; M15-Q18 PolarHBondContact O-N 2.9Å; M15-Q18 VanDerWaalsContact O-N 3.13Å; M15-L19 PolarHBondContact O-N 3.46Å; M15-C122 HydrophobicContact CE-CB 4.06Å; M15-Q126 VanDerWaalsContact CE-NE2 3.33Å
16L90.9Very high83.9Confident0 Ų053.4 Ų53.40%031%0.309CS..Hα-helixtrans-61.1-38.5179.9-75167.4000112.4L12 F13 Q18 L19 A106 W107 Y110 C122L12-L16 HydrophobicContact CD1-CG 4.5Å; L12-L16 HydrophobicContact CG-CD1 4.18Å; L12-L16 VanDerWaalsContact O-CG 3.31Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 3.45Å; F13-L16 WeakPolarHBondContact O-CB 3.37Å; F13-L16 PolarHBondContact O-N 3Å; L16-Q18 PolarHBondContact O-N 3.14Å; L16-L19 HydrophobicContact CD2-CD1 4.05Å; L16-L19 PolarHBondContact O-N 2.92Å; L16-A106 HydrophobicContact CD2-CB 3.58Å; L16-W107 HydrophobicContact CB-CD2 4.17Å; L16-W107 HydrophobicContact CB-CH2 4.05Å; L16-W107 HydrophobicContact CB-CZ2 3.63Å; L16-W107 HydrophobicContact CB-CZ3 4.49Å; L16-W107 HydrophobicContact CD1-CE3 4.46Å; L16-W107 HydrophobicContact CD2-CD2 4.33Å; L16-W107 HydrophobicContact CD2-CG 4.24Å; L16-W107 PolarHBondContact O-NE1 2.9Å; L16-Y110 HydrophobicContact CD1-CD1 4.05Å; L16-Y110 HydrophobicContact CD1-CD2 3.41Å; L16-Y110 VanDerWaalsContact CD1-CD2 3.41Å; L16-Y110 HydrophobicContact CD1-CE2 4.07Å; L16-Y110 HydrophobicContact CD1-CG 3.41Å; L16-Y110 VanDerWaalsContact CD1-CG 3.41Å; L16-C122 VanDerWaalsContact CD2-SG 3.56Å
17Q90.8Very high85.3Confident112 Ų11250.6 Ų50.652%0.52329%0.288SS..Hα-helixtrans-64.1-24.3176.8-72-176.9-45.100113.6F13 S14 M15 W107F13-Q17 HydrophobicContact CD1-CG 4.39Å; F13-Q17 VanDerWaalsContact CE1-CD 3.42Å; F13-Q17 HydrophobicContact CE1-CG 4.05Å; F13-Q17 HydrophobicContact CZ-CG 4.23Å; F13-Q17 WeakPolarHBondContact O-CG 3.32Å; F13-Q17 PolarHBondContact O-N 3.3Å; S14-Q17 PolarHBondContact O-N 3.48Å; M15-Q17 VanDerWaalsContact C-N 3.31Å; M15-Q17 PolarHBondContact O-N 3.3Å; Q17-W107 HydrophobicContact CG-CH2 4.38Å; Q17-W107 HydrophobicContact CG-CZ2 4.32Å
18Q89Confident86.3Confident140 Ų14051.8 Ų51.865%0.65428%0.284SS*.Hα-helixtrans-85.1-15.6178.3-64.7174.72.200112.8M15 L16M15-Q18 PolarHBondContact O-N 2.9Å; M15-Q18 VanDerWaalsContact O-N 3.13Å; L16-Q18 PolarHBondContact O-N 3.14Å
19L90.7Very high87Confident11 Ų1152.9 Ų52.96%0.05828%0.28CS..SBendtrans-72.2147.8-179.6-60.9-178.9000111.5M15 L16 T24 A106 C122 A125M15-L19 PolarHBondContact O-N 3.46Å; L16-L19 HydrophobicContact CD2-CD1 4.05Å; L16-L19 PolarHBondContact O-N 2.92Å; L19-T24 WeakPolarHBondContact O-CB 3.26Å; L19-T24 WeakPolarHBondContact O-CG2 3.46Å; L19-T24 PolarHBondContact O-OG1 3.38Å; L19-A106 HydrophobicContact CD1-CB 3.99Å; L19-C122 HydrophobicContact CD1-CB 4.46Å; L19-A125 HydrophobicContact CD2-CB 4.04Å
20Q93Very high87.3Confident51 Ų5158 Ų5824%0.23830%0.3CS..  trans-85.4116.8169-62.3-61.3-45.400108.5W25 V100 L140 V144Q20-W25 VanDerWaalsContact OE1-NE1 3.11Å; Q20-V100 WeakPolarHBondContact O-CA 3.31Å; Q20-L140 HydrophobicContact CG-CD2 4.11Å; Q20-V144 HydrophobicContact CB-CG1 3.68Å; Q20-V144 HydrophobicContact CB-CG2 4.42Å; Q20-V144 HydrophobicContact CG-CG1 3.83Å
21S93.4Very high87Confident0 Ų055.6 Ų55.60%028%0.28CS..SBendtrans-159.6163.2-174.1690000110F23 T24 W25 D104 W107S21-F23 PolarHBondContact O-N 3.17Å; S21-F23 PolarHBondContact OG-N 2.95Å; S21-T24 PolarHBondContact N-OG1 3.49Å; S21-T24 PolarHBondContact O-N 2.72Å; S21-T24 PolarHBondContact O-OG1 2.9Å; S21-T24 VanDerWaalsContact O-OG1 3.09Å; S21-T24 PolarHBondContact OG-N 3.36Å; S21-T24 PolarHBondContact OG-OG1 3.09Å; S21-W25 VanDerWaalsContact O-CD1 3.3Å; S21-W25 PolarHBondContact O-N 3.43Å; S21-D104 VanDerWaalsContact CB-OD1 3.31Å; S21-D104 WeakPolarHBondContact CB-OD1 3.35Å; S21-W107 VanDerWaalsContact OG-CD1 3.3Å; S21-W107 PolarHBondContact OG-NE1 3.32Å
22H93.4Very high86.3Confident0 Ų053.2 Ų53.20%026%0.26CS..G310 helixtrans-60.8-27.1173.1-65.487.9000111.9T24 W25 L27 Y64 D104 E147 T151H22-T24 VanDerWaalsContact C-N 3.3Å; H22-T24 PolarHBondContact O-N 3.36Å; H22-W25 AromaticContact CD2-CZ3 3.98Å; H22-W25 AromaticContact NE2-CZ3 3.95Å; H22-L27 HydrophobicContact CB-CD1 4.19Å; H22-Y64 HydrophobicContact CB-CD1 4.14Å; H22-Y64 HydrophobicContact CB-CD2 3.5Å; H22-Y64 VanDerWaalsContact CB-CD2 3.5Å; H22-Y64 HydrophobicContact CB-CE2 3.94Å; H22-Y64 HydrophobicContact CB-CG 3.6Å; H22-Y64 WeakPolarHBondContact O-CE2 3.39Å; H22-D104 IonicContact CE1-OD2 2.91Å; H22-D104 PolarHBondContact CE1-OD2 2.97Å; H22-D104 IonicContact CG-OD1 3.81Å; H22-D104 IonicContact CG-OD2 3.34Å; H22-D104 PolarHBondContact N-OD1 2.83Å; H22-D104 IonicContact ND1-OD1 3.65Å; H22-D104 PolarHBondContact ND1-OD1 3.15Å; H22-D104 IonicContact ND1-OD2 2.7Å; H22-D104 PolarHBondContact ND1-OD2 3.27Å; H22-E147 IonicContact CE1-OE1 2.71Å; H22-T151 PolarHBondContact NE2-OG1 2.88Å
23F91.4Very high86Confident38 Ų3854.6 Ų54.617%0.16727%0.266CS..G310 helixtrans-72-19.9176.7-63.2-92.5000113.8S21 Y64 Y67 D104 W107S21-F23 PolarHBondContact O-N 3.17Å; S21-F23 PolarHBondContact OG-N 2.95Å; F23-Y64 HydrophobicContact CD1-CD2 4.23Å; F23-Y64 AromaticContact CD1-CE2 3.86Å; F23-Y64 HydrophobicContact CD1-CE2 3.86Å; F23-Y64 HydrophobicContact CD2-CD2 4.13Å; F23-Y64 HydrophobicContact CD2-CE2 4.32Å; F23-Y64 HydrophobicContact CE1-CD2 4.07Å; F23-Y64 HydrophobicContact CE1-CE2 4.07Å; F23-Y64 AromaticContact CE2-CD2 3.96Å; F23-Y64 HydrophobicContact CE2-CD2 3.96Å; F23-Y64 HydrophobicContact CE2-CE2 4.5Å; F23-Y64 HydrophobicContact CG-CD2 4.26Å; F23-Y64 AromaticContact CG-CE2 3.99Å; F23-Y64 HydrophobicContact CG-CE2 3.99Å; F23-Y64 AromaticContact CZ-CD2 3.92Å; F23-Y64 HydrophobicContact CZ-CD2 3.92Å; F23-Y64 HydrophobicContact CZ-CE2 4.38Å; F23-Y67 HydrophobicContact CD1-CE1 4.4Å; F23-Y67 AromaticContact CE1-CD1 3.56Å; F23-Y67 HydrophobicContact CE1-CD1 3.56Å; F23-Y67 HydrophobicContact CE1-CD2 4.39Å; F23-Y67 AromaticContact CE1-CE1 3.61Å; F23-Y67 HydrophobicContact CE1-CE1 3.61Å; F23-Y67 HydrophobicContact CE1-CE2 4.44Å; F23-Y67 AromaticContact CE1-CG 3.97Å; F23-Y67 HydrophobicContact CE1-CG 3.97Å; F23-Y67 HydrophobicContact CZ-CD1 4.13Å; F23-Y67 HydrophobicContact CZ-CG 4.12Å; F23-D104 HydrophobicContact CD2-CB 4.49Å; F23-D104 HydrophobicContact CE2-CB 4.18Å; F23-W107 HydrophobicContact CB-CB 4.13Å; F23-W107 HydrophobicContact CB-CD2 3.93Å; F23-W107 HydrophobicContact CB-CG 3.67Å; F23-W107 HydrophobicContact CD1-CB 4.18Å; F23-W107 HydrophobicContact CD2-CB 3.55Å; F23-W107 AromaticContact CD2-CG 3.99Å; F23-W107 HydrophobicContact CD2-CG 3.99Å; F23-W107 HydrophobicContact CE2-CB 3.94Å; F23-W107 HydrophobicContact CG-CB 3.69Å; F23-W107 HydrophobicContact CG-CD2 4.35Å; F23-W107 AromaticContact CG-CG 3.82Å; F23-W107 HydrophobicContact CG-CG 3.82Å; F23-W107 HydrophobicContact CZ-CB 4.42Å
24T92.3Very high85.9Confident34 Ų3452.5 Ų52.521%0.20926%0.258CS..G310 helixtrans-109.62.1-177.653.20000113.7L19 S21 H22 W107L19-T24 WeakPolarHBondContact O-CB 3.26Å; L19-T24 WeakPolarHBondContact O-CG2 3.46Å; L19-T24 PolarHBondContact O-OG1 3.38Å; S21-T24 PolarHBondContact N-OG1 3.49Å; S21-T24 PolarHBondContact O-N 2.72Å; S21-T24 PolarHBondContact O-OG1 2.9Å; S21-T24 VanDerWaalsContact O-OG1 3.09Å; S21-T24 PolarHBondContact OG-N 3.36Å; S21-T24 PolarHBondContact OG-OG1 3.09Å; H22-T24 VanDerWaalsContact C-N 3.3Å; H22-T24 PolarHBondContact O-N 3.36Å; T24-W107 HydrophobicContact CG2-CZ2 3.99Å
25W90.7Very high85.9Confident7 Ų755.9 Ų55.93%0.02727%0.267CS..THydrogen-bonded Turntrans-94.315.1-178-68.3-10.5000115Q20 S21 H22 L27 V100 V144 E147 K148 T151 Y152Q20-W25 VanDerWaalsContact OE1-NE1 3.11Å; S21-W25 VanDerWaalsContact O-CD1 3.3Å; S21-W25 PolarHBondContact O-N 3.43Å; H22-W25 AromaticContact CD2-CZ3 3.98Å; H22-W25 AromaticContact NE2-CZ3 3.95Å; W25-L27 HydrophobicContact CB-CD2 4.01Å; W25-L27 HydrophobicContact CB-CG 4.07Å; W25-L27 PolarHBondContact O-N 3.2Å; W25-V100 HydrophobicContact CH2-CG1 3.69Å; W25-V100 HydrophobicContact CH2-CG2 3.99Å; W25-V100 HydrophobicContact CZ2-CG1 4.02Å; W25-V100 HydrophobicContact CZ2-CG2 3.95Å; W25-V100 HydrophobicContact CZ3-CG1 4.41Å; W25-V144 HydrophobicContact CZ2-CG1 4.16Å; W25-E147 HydrophobicContact CH2-CB 4.22Å; W25-E147 HydrophobicContact CH2-CG 3.94Å; W25-E147 HydrophobicContact CZ3-CG 4.41Å; W25-K148 HydrophobicContact CD2-CB 4.35Å; W25-K148 HydrophobicContact CD2-CD 4.1Å; W25-K148 HydrophobicContact CD2-CG 3.88Å; W25-K148 HydrophobicContact CE3-CB 4.27Å; W25-K148 HydrophobicContact CE3-CG 3.99Å; W25-K148 HydrophobicContact CG-CD 4.27Å; W25-K148 HydrophobicContact CG-CG 4.42Å; W25-K148 HydrophobicContact CH2-CB 3.77Å; W25-K148 HydrophobicContact CH2-CG 4.35Å; W25-K148 HydrophobicContact CZ2-CB 3.85Å; W25-K148 HydrophobicContact CZ2-CD 4.46Å; W25-K148 HydrophobicContact CZ2-CG 4.25Å; W25-K148 HydrophobicContact CZ3-CB 4Å; W25-K148 HydrophobicContact CZ3-CG 4.23Å; W25-T151 HydrophobicContact CE3-CG2 4.36Å; W25-T151 HydrophobicContact CZ3-CG2 4.39Å; W25-Y152 PolarHBondContact O-OH 3.06Å
26D84.3Confident85.9Confident144 Ų14454.4 Ų54.477%0.7726%0.261SS*.THydrogen-bonded Turntrans49.640.8179.9-64.8-33.4000113.4K28D26-K28 PolarHBondContact O-N 3.42Å
27L85.8Confident85.9Confident10 Ų1054.7 Ų54.75%0.05226%0.262CS..  trans-72.4110.9178.3-53.4-176.4000109.7H22 W25 M32 Y64 T151 Y152 L155H22-L27 HydrophobicContact CB-CD1 4.19Å; W25-L27 HydrophobicContact CB-CD2 4.01Å; W25-L27 HydrophobicContact CB-CG 4.07Å; W25-L27 PolarHBondContact O-N 3.2Å; L27-M32 HydrophobicContact CB-SD 4.41Å; L27-Y64 HydrophobicContact CB-CE1 3.99Å; L27-Y64 HydrophobicContact CD1-CD1 4.19Å; L27-Y64 HydrophobicContact CD1-CE1 3.75Å; L27-Y64 HydrophobicContact CG-CE1 4.44Å; L27-T151 HydrophobicContact CD1-CG2 3.91Å; L27-T151 HydrophobicContact CD2-CG2 4.48Å; L27-Y152 HydrophobicContact CD2-CD1 4.16Å; L27-Y152 HydrophobicContact CD2-CE1 3.5Å; L27-L155 HydrophobicContact CD2-CD1 3.87Å
28K80.7Confident86Confident100 Ų10049.4 Ų49.444%0.43524%0.237SC..  trans-75.1130.4-177.3-65-177.5-174169.20111.5D26 E30 D31 M32D26-K28 PolarHBondContact O-N 3.42Å; K28-E30 PolarHBondContact O-N 3.41Å; K28-D31 HydrophobicContact CB-CB 4.36Å; K28-D31 WeakPolarHBondContact CB-OD2 3.45Å; K28-D31 PolarHBondContact O-N 3.1Å; K28-M32 WeakPolarHBondContact O-CG 3.26Å; K28-M32 PolarHBondContact O-N 3.4Å
29K78Confident86.2Confident92 Ų9244.3 Ų44.340%0.422%0.216SC..G310 helixtrans-63-32.2-179.5-171.1175.3-178.5170.90112.4D31 M32 L34 H68K29-D31 VanDerWaalsContact C-N 3.3Å; K29-D31 PolarHBondContact O-N 3Å; K29-M32 HydrophobicContact CB-CE 4.27Å; K29-M32 PolarHBondContact O-N 3.49Å; K29-L34 HydrophobicContact CD-CD1 4.49Å; K29-L34 HydrophobicContact CG-CD1 4.14Å; K29-H68 PolarHBondContact NZ-O 3.13Å; K29-H68 VanDerWaalsContact NZ-O 3.15Å
30E73.8Confident86.2Confident146 Ų14647.4 Ų47.468%0.68223%0.227SC*.G310 helixtrans-67.4-32.2-179-56.674.2-156.800112K28 M32K28-E30 PolarHBondContact O-N 3.41Å; E30-M32 VanDerWaalsContact C-N 3.32Å
31D71.4Confident86.2Confident31 Ų3145.1 Ų45.117%0.16622%0.216CC..G310 helixtrans-79.6-18.3178-71.2-41.5000113.1K28 K29 E33 Y159K28-D31 HydrophobicContact CB-CB 4.36Å; K28-D31 WeakPolarHBondContact CB-OD2 3.45Å; K28-D31 PolarHBondContact O-N 3.1Å; K29-D31 VanDerWaalsContact C-N 3.3Å; K29-D31 PolarHBondContact O-N 3Å; D31-E33 PolarHBondContact O-N 2.91Å; D31-Y159 HydrophobicContact CB-CE2 3.76Å; D31-Y159 WeakPolarHBondContact OD2-CE2 3.34Å; D31-Y159 PolarHBondContact OD2-OH 3.45Å
32M71.5Confident86.3Confident7 Ų749 Ų493%0.03424%0.235CC..  trans-90.198179.1-59.8-169.5-75.100107.7L27 K28 K29 E30 L34 Y64 L155L27-M32 HydrophobicContact CB-SD 4.41Å; K28-M32 WeakPolarHBondContact O-CG 3.26Å; K28-M32 PolarHBondContact O-N 3.4Å; K29-M32 HydrophobicContact CB-CE 4.27Å; K29-M32 PolarHBondContact O-N 3.49Å; E30-M32 VanDerWaalsContact C-N 3.32Å; M32-L34 HydrophobicContact CB-CD2 3.71Å; M32-L34 HydrophobicContact CB-CG 4.31Å; M32-L34 HydrophobicContact CE-CD2 4.37Å; M32-L34 WeakPolarHBondContact O-CG 3.39Å; M32-L34 PolarHBondContact O-N 3.48Å; M32-Y64 HydrophobicContact CE-CE1 3.74Å; M32-Y64 HydrophobicContact SD-CD1 4.23Å; M32-Y64 HydrophobicContact SD-CE1 3.81Å; M32-L155 HydrophobicContact CG-CD2 3.78Å; M32-L155 HydrophobicContact SD-CD2 4.06Å
33E81.1Confident86.2Confident43 Ų4350.5 Ų50.520%0.20124%0.241CC..  trans-64.779.7165.3-67.9-164.7144.500109D31 E35 N36 L37 K336 S338 K369D31-E33 PolarHBondContact O-N 2.91Å; E33-E35 VanDerWaalsContact C-N 3.26Å; E33-E35 PolarHBondContact O-N 3.01Å; E33-E35 VanDerWaalsContact O-N 3.13Å; E33-N36 HydrophobicContact CB-CB 4.09Å; E33-N36 PolarHBondContact O-N 2.96Å; E33-L37 WeakPolarHBondContact O-CB 3.46Å; E33-L37 PolarHBondContact O-N 2.86Å; E33-K336 VanDerWaalsContact OE2-CG 3.32Å; E33-K336 WeakPolarHBondContact OE2-CG 3.5Å; E33-S338 VanDerWaalsContact OE1-CA 3.28Å; E33-S338 WeakPolarHBondContact OE1-CA 3.48Å; E33-S338 WeakPolarHBondContact OE1-CB 3.37Å; E33-S338 PolarHBondContact OE1-N 2.81Å; E33-S338 PolarHBondContact OE1-OG 3.47Å; E33-S338 VanDerWaalsContact OE1-OG 3.14Å; E33-S338 WeakPolarHBondContact OE2-CB 3.37Å; E33-S338 PolarHBondContact OE2-N 3.16Å; E33-S338 PolarHBondContact OE2-OG 3.31Å; E33-K369 IonicContact OE1-NZ 3.37Å
34L85.9Confident86.2Confident32 Ų3249.2 Ų49.217%0.16824%0.236CC..Hα-helixtrans-54.3-42.3-160.9-68.1172.3000112.1K29 M32 S38 V65 H68K29-L34 HydrophobicContact CD-CD1 4.49Å; K29-L34 HydrophobicContact CG-CD1 4.14Å; M32-L34 HydrophobicContact CB-CD2 3.71Å; M32-L34 HydrophobicContact CB-CG 4.31Å; M32-L34 HydrophobicContact CE-CD2 4.37Å; M32-L34 WeakPolarHBondContact O-CG 3.39Å; M32-L34 PolarHBondContact O-N 3.48Å; L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.34Å; L34-V65 HydrophobicContact CB-CG1 4.45Å; L34-V65 HydrophobicContact CD2-CG1 4.06Å; L34-H68 HydrophobicContact CD1-CB 4.33Å; L34-H68 HydrophobicContact CD2-CB 4.2Å
35E88.3Confident86.2Confident128 Ų12848.5 Ų48.560%0.59823%0.23SC*.Hα-helixtrans-67.8-47-179.3-164.557.7-147.900112.4E33 S38 T39E33-E35 VanDerWaalsContact C-N 3.26Å; E33-E35 PolarHBondContact O-N 3.01Å; E33-E35 VanDerWaalsContact O-N 3.13Å; E35-S38 PolarHBondContact O-N 3.46Å; E35-T39 WeakPolarHBondContact O-CB 3.17Å; E35-T39 PolarHBondContact O-N 2.91Å; E35-T39 PolarHBondContact O-OG1 2.97Å
36N88.4Confident86.3Confident17 Ų1752 Ų529%0.09126%0.261CS..Hα-helixtrans-64.3-43.8177.3-178.8-102.2000111.4E33 R40 I335E33-N36 HydrophobicContact CB-CB 4.09Å; E33-N36 PolarHBondContact O-N 2.96Å; N36-R40 WeakPolarHBondContact O-CB 3.46Å; N36-R40 WeakPolarHBondContact O-CD 3.3Å; N36-R40 VanDerWaalsContact O-CG 3.3Å; N36-R40 WeakPolarHBondContact O-CG 3.5Å; N36-R40 PolarHBondContact O-N 3.31Å; N36-R40 WeakPolarHBondContact OD1-CD 3.23Å; N36-I335 PolarHBondContact ND2-O 3.25Å
37L90.9Very high86.6Confident6 Ų648.1 Ų48.13%0.03124%0.24CC..Hα-helixtrans-65.5-43.9178.9-17960.2000111E33 R40 L41 V65 L155E33-L37 WeakPolarHBondContact O-CB 3.46Å; E33-L37 PolarHBondContact O-N 2.86Å; L37-R40 PolarHBondContact O-N 3.18Å; L37-L41 HydrophobicContact CD1-CD1 3.95Å; L37-L41 HydrophobicContact CD1-CG 4.14Å; L37-L41 HydrophobicContact CG-CD1 3.85Å; L37-L41 HydrophobicContact CG-CG 4.46Å; L37-L41 WeakPolarHBondContact O-CB 3.44Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 2.91Å; L37-V65 HydrophobicContact CD2-CG2 3.69Å; L37-V65 HydrophobicContact CG-CG2 4.13Å; L37-L155 HydrophobicContact CD2-CD2 3.56Å
38S92.8Very high86.7Confident0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-56.7-55175.9179.10000110.7L34 E35 R40 L41 E42 R66L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.34Å; E35-S38 PolarHBondContact O-N 3.46Å; S38-R40 VanDerWaalsContact C-N 3.32Å; S38-R40 PolarHBondContact O-N 3.31Å; S38-L41 PolarHBondContact O-N 3.37Å; S38-L41 VanDerWaalsContact O-N 3.1Å; S38-E42 WeakPolarHBondContact O-CG 3.48Å; S38-E42 PolarHBondContact O-N 2.61Å; S38-R66 PolarHBondContact OG-NH1 3.06Å; S38-R66 PolarHBondContact OG-NH2 3.27Å; S38-R66 VanDerWaalsContact OG-NH2 3.09Å
39T92.1Very high87Confident34 Ų3450.5 Ų50.521%0.20925%0.253CS..Hα-helixtrans-57.2-44.4-179.6-54.30000111.8E35 L41 E42 E43 T288E35-T39 WeakPolarHBondContact O-CB 3.17Å; E35-T39 PolarHBondContact O-N 2.91Å; E35-T39 PolarHBondContact O-OG1 2.97Å; T39-L41 PolarHBondContact O-N 3Å; T39-E42 PolarHBondContact O-N 3.18Å; T39-E43 WeakPolarHBondContact O-CG 3.35Å; T39-E43 PolarHBondContact O-N 3.35Å; T39-T288 HydrophobicContact CG2-CG2 3.88Å; T39-T288 WeakPolarHBondContact CG2-OG1 3.23Å
40R91.6Very high87.2Confident75 Ų7548.6 Ų48.628%0.28326%0.259SS..Hα-helixtrans-62.2-40.8177.5-80.9164.338.6108.6-7.8113.1N36 L37 S38 H44 K154N36-R40 WeakPolarHBondContact O-CB 3.46Å; N36-R40 WeakPolarHBondContact O-CD 3.3Å; N36-R40 VanDerWaalsContact O-CG 3.3Å; N36-R40 WeakPolarHBondContact O-CG 3.5Å; N36-R40 PolarHBondContact O-N 3.31Å; N36-R40 WeakPolarHBondContact OD1-CD 3.23Å; L37-R40 PolarHBondContact O-N 3.18Å; S38-R40 VanDerWaalsContact C-N 3.32Å; S38-R40 PolarHBondContact O-N 3.31Å; R40-H44 VanDerWaalsContact O-CB 3.28Å; R40-H44 WeakPolarHBondContact O-CB 3.47Å; R40-H44 PolarHBondContact O-N 3.02Å; R40-K154 PolarHBondContact NH2-O 3.11Å
41L93.5Very high87.5Confident3 Ų344 Ų442%0.01624%0.235CC..Hα-helixtrans-70.9-38.3180-70.1168.5000110.6L37 S38 T39 H44 I45 L61 L62 V65 K154L37-L41 HydrophobicContact CD1-CD1 3.95Å; L37-L41 HydrophobicContact CD1-CG 4.14Å; L37-L41 HydrophobicContact CG-CD1 3.85Å; L37-L41 HydrophobicContact CG-CG 4.46Å; L37-L41 WeakPolarHBondContact O-CB 3.44Å; L37-L41 VanDerWaalsContact O-CG 3.24Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 2.91Å; S38-L41 PolarHBondContact O-N 3.37Å; S38-L41 VanDerWaalsContact O-N 3.1Å; T39-L41 PolarHBondContact O-N 3Å; L41-H44 WeakPolarHBondContact O-CB 3.3Å; L41-H44 PolarHBondContact O-N 3.04Å; L41-I45 WeakPolarHBondContact O-CD1 3.49Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.49Å; L41-I45 PolarHBondContact O-N 2.86Å; L41-L61 HydrophobicContact CD1-CB 4.26Å; L41-L61 HydrophobicContact CD1-CD2 4.1Å; L41-L61 HydrophobicContact CD1-CG 3.85Å; L41-L61 HydrophobicContact CD2-CD2 4.16Å; L41-L62 HydrophobicContact CB-CB 4.08Å; L41-L62 HydrophobicContact CB-CD1 4.14Å; L41-L62 HydrophobicContact CB-CG 4.46Å; L41-L62 HydrophobicContact CD1-CB 4.07Å; L41-L62 HydrophobicContact CD1-CD1 4.39Å; L41-V65 HydrophobicContact CD1-CG2 4.33Å; L41-K154 HydrophobicContact CD2-CG 4.34Å
42E93.9Very high87.6Confident83 Ų8346.7 Ų46.739%0.38825%0.254SS..Hα-helixtrans-62.2-47.7173.4-70.8-175.9140.500112.2S38 T39 H44 I45 A46 L62 R66S38-E42 WeakPolarHBondContact O-CG 3.48Å; S38-E42 PolarHBondContact O-N 2.61Å; T39-E42 PolarHBondContact O-N 3.18Å; E42-H44 VanDerWaalsContact C-N 3.29Å; E42-H44 PolarHBondContact O-N 2.94Å; E42-I45 PolarHBondContact O-N 3.09Å; E42-A46 VanDerWaalsContact O-CB 3.29Å; E42-A46 WeakPolarHBondContact O-CB 3.49Å; E42-A46 PolarHBondContact O-N 3.06Å; E42-L62 HydrophobicContact CG-CD1 4.32Å; E42-L62 HydrophobicContact CG-CD2 3.69Å; E42-R66 IonicContact OE1-CZ 3.75Å; E42-R66 IonicContact OE1-NH2 2.83Å; E42-R66 PolarHBondContact OE1-NH2 3.31Å; E42-R66 IonicContact OE2-NH2 3.88Å
43E92.1Very high88.1Confident31 Ų3146.4 Ų46.415%0.14525%0.254CS..Hα-helixtrans-58.6-43173.7-75.9-175.2114.200111.4T39 I45 A46 L47 S286 K287 T288T39-E43 WeakPolarHBondContact O-CG 3.35Å; T39-E43 PolarHBondContact O-N 3.35Å; E43-I45 VanDerWaalsContact C-N 3.33Å; E43-I45 PolarHBondContact O-N 3.12Å; E43-A46 PolarHBondContact O-N 2.92Å; E43-L47 VanDerWaalsContact O-CB 3.31Å; E43-L47 WeakPolarHBondContact O-CB 3.47Å; E43-L47 WeakPolarHBondContact O-CG 3.29Å; E43-L47 PolarHBondContact O-N 2.78Å; E43-S286 WeakPolarHBondContact OE1-CA 2.94Å; E43-S286 WeakPolarHBondContact OE1-CB 3.28Å; E43-S286 PolarHBondContact OE1-OG 3.18Å; E43-S286 PolarHBondContact OE2-OG 2.84Å; E43-K287 PolarHBondContact OE1-N 2.84Å; E43-T288 PolarHBondContact OE1-N 3.1Å; E43-T288 PolarHBondContact OE1-OG1 2.96Å; E43-T288 PolarHBondContact OE2-OG1 3.5Å
44H91.7Very high88.3Confident11 Ų1145.1 Ų45.15%0.05125%0.25CS..Hα-helixtrans-62-40.6179.2-171.7-83000112.2R40 L41 E42 Q48 L49 S58R40-H44 VanDerWaalsContact O-CB 3.28Å; R40-H44 WeakPolarHBondContact O-CB 3.47Å; R40-H44 PolarHBondContact O-N 3.02Å; L41-H44 WeakPolarHBondContact O-CB 3.3Å; L41-H44 PolarHBondContact O-N 3.04Å; E42-H44 VanDerWaalsContact C-N 3.29Å; E42-H44 PolarHBondContact O-N 2.94Å; H44-Q48 PolarHBondContact O-N 2.73Å; H44-L49 PolarHBondContact CE1-O 2.9Å; H44-L49 PolarHBondContact NE2-O 3.48Å; H44-L49 PolarHBondContact O-N 3.12Å; H44-S58 PolarHBondContact CE1-OG 3.41Å; H44-S58 VanDerWaalsContact CE1-OG 3.28Å; H44-S58 PolarHBondContact ND1-OG 3.38Å
45I92.7Very high88.6Confident18 Ų1844.4 Ų44.49%0.09225%0.247CC..Hα-helixtrans-70.3-46.6176.2-66.8160.9000110.7L41 E42 E43 L47 Q48 V55 C59 L62L41-I45 WeakPolarHBondContact O-CD1 3.49Å; L41-I45 VanDerWaalsContact O-CG1 3.23Å; L41-I45 WeakPolarHBondContact O-CG1 3.49Å; L41-I45 PolarHBondContact O-N 2.86Å; E42-I45 PolarHBondContact O-N 3.09Å; E43-I45 VanDerWaalsContact C-N 3.33Å; E43-I45 PolarHBondContact O-N 3.12Å; I45-L47 PolarHBondContact O-N 3.46Å; I45-Q48 PolarHBondContact O-N 3.34Å; I45-V55 HydrophobicContact CG1-CG1 4.49Å; I45-V55 HydrophobicContact CG2-CG1 4.24Å; I45-C59 HydrophobicContact CD1-CB 4.47Å; I45-L62 HydrophobicContact CD1-CB 4.43Å; I45-L62 HydrophobicContact CD1-CD2 3.71Å
46A92.2Very high88.8Confident80 Ų8038.4 Ų38.466%0.66122%0.22SC*.Hα-helixtrans-64.6-39.7-17600000112.6E42 E43 Q48E42-A46 VanDerWaalsContact O-CB 3.29Å; E42-A46 WeakPolarHBondContact O-CB 3.49Å; E42-A46 PolarHBondContact O-N 3.06Å; E43-A46 PolarHBondContact O-N 2.92Å; A46-Q48 VanDerWaalsContact C-N 3.3Å
47L90.1Very high88.9Confident63 Ų6339.1 Ų39.133%0.3322%0.223SC..THydrogen-bonded Turntrans-87.92.2178.5-63.1175.2000113.1E43 I45 L49 P256E43-L47 VanDerWaalsContact O-CB 3.31Å; E43-L47 WeakPolarHBondContact O-CB 3.47Å; E43-L47 WeakPolarHBondContact O-CG 3.29Å; E43-L47 PolarHBondContact O-N 2.78Å; I45-L47 PolarHBondContact O-N 3.46Å; L47-L49 HydrophobicContact CB-CD1 4.22Å; L47-L49 HydrophobicContact CB-CD2 3.74Å; L47-L49 HydrophobicContact CB-CG 3.68Å; L47-L49 HydrophobicContact CD1-CD1 4.23Å; L47-L49 HydrophobicContact CD1-CD2 4.49Å; L47-L49 PolarHBondContact O-N 2.68Å; L47-P256 HydrophobicContact CD1-CG 3.99Å
48Q89Confident89.1Confident153 Ų15339.1 Ų39.172%0.71522%0.224SC*.THydrogen-bonded Turntrans47.647-176.9-57.5-176.618.700112.3H44 I45 A46 V55H44-Q48 PolarHBondContact O-N 2.73Å; I45-Q48 PolarHBondContact O-N 3.34Å; A46-Q48 VanDerWaalsContact C-N 3.3Å; Q48-V55 HydrophobicContact CB-CG2 4.42Å
49L85.8Confident89.2Confident8 Ų839.1 Ų39.14%0.04222%0.224CC..  trans-74.3144.4-173.8-60.3178.6000111.5H44 L47 P256 H257H44-L49 PolarHBondContact CE1-O 2.9Å; H44-L49 PolarHBondContact NE2-O 3.48Å; H44-L49 PolarHBondContact O-N 3.12Å; L47-L49 HydrophobicContact CB-CD1 4.22Å; L47-L49 HydrophobicContact CB-CD2 3.74Å; L47-L49 HydrophobicContact CB-CG 3.68Å; L47-L49 HydrophobicContact CD1-CD1 4.23Å; L47-L49 HydrophobicContact CD1-CD2 4.49Å; L47-L49 PolarHBondContact O-N 2.68Å; L49-P256 HydrophobicContact CD1-CG 4.48Å; L49-P256 HydrophobicContact CD2-CG 4.41Å; L49-H257 WeakPolarHBondContact CD1-NE2 3.4Å
50G82.9Confident89.3Confident52 Ų5237.5 Ų37.554%0.53621%0.214SC..SBendtrans81.8-154.7-179.800000111.9
51R80Confident89.5Confident48 Ų4834.2 Ų34.218%0.18120%0.202CC..SBendtrans-83.4160.4-179-61.1-177.7-173.6-161.1-0.7110.6G53 A54 S178 S218 D221R51-G53 PolarHBondContact O-N 3.36Å; R51-G53 VanDerWaalsContact O-N 3.08Å; R51-A54 WeakPolarHBondContact O-CB 3.44Å; R51-A54 PolarHBondContact O-N 3.09Å; R51-S178 PolarHBondContact NH1-O 2.93Å; R51-S178 PolarHBondContact NH1-OG 3.02Å; R51-S178 PolarHBondContact NH2-O 3.07Å; R51-S218 VanDerWaalsContact CZ-OG 3.28Å; R51-S218 PolarHBondContact NH1-OG 3.41Å; R51-S218 PolarHBondContact NH2-OG 2.68Å; R51-D221 IonicContact NE-OD2 3.85Å
52P72.3Confident89.6Confident88 Ų8834.2 Ų34.257%0.57120%0.202SC*.Hα-helixtrans-50.6-38.9-178.4-3036.7000114.4A54 V89P52-A54 VanDerWaalsContact C-N 3.34Å; P52-A54 PolarHBondContact O-N 3.49Å; P52-V89 HydrophobicContact CB-CB 4.3Å; P52-V89 HydrophobicContact CB-CG1 3.64Å; P52-V89 HydrophobicContact CB-CG2 3.59Å
53G81.9Confident89.7Confident2 Ų230.4 Ų30.42%0.02119%0.185CC..Hα-helixtrans-68.2-25.2175.300000115.7R51 V55 A56 L57 Y90R51-G53 PolarHBondContact O-N 3.36Å; R51-G53 VanDerWaalsContact O-N 3.08Å; G53-V55 PolarHBondContact O-N 2.79Å; G53-A56 WeakPolarHBondContact O-CB 3.49Å; G53-A56 PolarHBondContact O-N 3.27Å; G53-A56 VanDerWaalsContact O-N 3.15Å; G53-L57 PolarHBondContact O-N 3.09Å; G53-L57 VanDerWaalsContact O-N 3.16Å; G53-Y90 WeakPolarHBondContact CA-OH 3.38Å
54A87.3Confident89.8Confident15 Ų1529.6 Ų29.612%0.12418%0.18CC..Hα-helixtrans-66.4-26-178.600000112.6R51 P52 S58R51-A54 WeakPolarHBondContact O-CB 3.44Å; R51-A54 PolarHBondContact O-N 3.09Å; P52-A54 VanDerWaalsContact C-N 3.34Å; P52-A54 PolarHBondContact O-N 3.49Å; A54-S58 WeakPolarHBondContact O-CB 3.39Å; A54-S58 PolarHBondContact O-N 2.95Å; A54-S58 PolarHBondContact O-OG 3.06Å
55V91.1Very high89.9Confident18 Ų1829 Ų2911%0.10918%0.178CC..Hα-helixtrans-68.7-43.1174.5177.30000110.7I45 Q48 G53 S58 C59I45-V55 HydrophobicContact CG1-CG1 4.49Å; I45-V55 HydrophobicContact CG2-CG1 4.24Å; Q48-V55 HydrophobicContact CB-CG2 4.42Å; G53-V55 PolarHBondContact O-N 2.79Å; V55-S58 PolarHBondContact O-N 3.06Å; V55-C59 PolarHBondContact O-N 3.33Å; V55-C59 PolarHBondContact O-SG 3.25Å
56A91.6Very high90Very high2 Ų229.8 Ų29.82%0.01718%0.179CC..Hα-helixtrans-61.5-50.1176.100000111.1G53 S58 C59 S60 S82 T85 T86G53-A56 WeakPolarHBondContact O-CB 3.49Å; G53-A56 PolarHBondContact O-N 3.27Å; G53-A56 VanDerWaalsContact O-N 3.15Å; A56-S58 PolarHBondContact O-N 2.94Å; A56-C59 WeakPolarHBondContact O-CA 3.45Å; A56-C59 WeakPolarHBondContact O-CB 3.27Å; A56-C59 PolarHBondContact O-N 2.8Å; A56-S60 PolarHBondContact O-N 3.36Å; A56-S60 PolarHBondContact O-OG 2.93Å; A56-S82 PolarHBondContact O-OG 3.03Å; A56-T85 HydrophobicContact CB-CG2 4.2Å; A56-T86 VanDerWaalsContact CB-OG1 3.26Å; A56-T86 WeakPolarHBondContact CB-OG1 3.42Å
57L92.6Very high90.1Very high31 Ų3128.9 Ų28.916%0.16216%0.159CC..Hα-helixtrans-55.9-40.3175.7-62.7-175.6000112.4G53 S60 L61 E147 W150 E179G53-L57 PolarHBondContact O-N 3.09Å; G53-L57 VanDerWaalsContact O-N 3.16Å; L57-S60 PolarHBondContact O-N 3Å; L57-L61 PolarHBondContact O-N 3.37Å; L57-E147 HydrophobicContact CD2-CB 4.11Å; L57-E147 VanDerWaalsContact CD2-CD 3.49Å; L57-E147 HydrophobicContact CD2-CG 3.68Å; L57-W150 HydrophobicContact CD1-CB 4.32Å; L57-W150 HydrophobicContact CD1-CG 4.08Å; L57-E179 WeakPolarHBondContact CD1-OE1 3.4Å
58S93.6Very high90.1Very high6 Ų627.6 Ų27.64%0.04215%0.152CC..Hα-helixtrans-69.1-33.7177.6-57.30000112.4H44 A54 V55 A56 L62H44-S58 PolarHBondContact CE1-OG 3.41Å; H44-S58 VanDerWaalsContact CE1-OG 3.28Å; H44-S58 PolarHBondContact ND1-OG 3.38Å; A54-S58 WeakPolarHBondContact O-CB 3.39Å; A54-S58 PolarHBondContact O-N 2.95Å; A54-S58 PolarHBondContact O-OG 3.06Å; V55-S58 PolarHBondContact O-N 3.06Å; A56-S58 PolarHBondContact O-N 2.94Å; S58-L62 WeakPolarHBondContact O-CB 3.31Å; S58-L62 PolarHBondContact O-N 3.47Å
59C94.9Very high90.3Very high0 Ų022.2 Ų22.20%013%0.127CC..Hα-helixtrans-66.2-43.7172.8-670000111.2I45 V55 A56 L62 A63I45-C59 HydrophobicContact CD1-CB 4.47Å; V55-C59 PolarHBondContact O-N 3.33Å; V55-C59 PolarHBondContact O-SG 3.25Å; A56-C59 WeakPolarHBondContact O-CA 3.45Å; A56-C59 WeakPolarHBondContact O-CB 3.27Å; A56-C59 PolarHBondContact O-N 2.8Å; C59-L62 PolarHBondContact O-N 3.42Å; C59-A63 WeakPolarHBondContact O-CB 3.32Å; C59-A63 PolarHBondContact O-N 2.93Å
60S94.9Very high90.7Very high1 Ų128.6 Ų28.61%0.00716%0.161CC..Hα-helixtrans-61.1-48.8177-59.60000111.7A56 L57 L62 A63 Y64 S82 T101A56-S60 PolarHBondContact O-N 3.36Å; A56-S60 PolarHBondContact O-OG 2.93Å; L57-S60 PolarHBondContact O-N 3Å; S60-L62 PolarHBondContact O-N 2.99Å; S60-A63 WeakPolarHBondContact O-CB 3.47Å; S60-A63 PolarHBondContact O-N 3.39Å; S60-Y64 PolarHBondContact O-N 3.2Å; S60-S82 WeakPolarHBondContact OG-CB 3.42Å; S60-S82 PolarHBondContact OG-OG 3.49Å; S60-T101 PolarHBondContact OG-OG1 3.31Å
61L94.8Very high91.2Very high5 Ų530.1 Ų30.13%0.02615%0.154CC..Hα-helixtrans-65.8-39.2177.4-176.857.4000112.4L41 L57 A63 Y64 V65 T151 K154L41-L61 HydrophobicContact CD1-CB 4.26Å; L41-L61 HydrophobicContact CD1-CD2 4.1Å; L41-L61 HydrophobicContact CD1-CG 3.85Å; L41-L61 HydrophobicContact CD2-CD2 4.16Å; L57-L61 PolarHBondContact O-N 3.37Å; L61-A63 VanDerWaalsContact C-N 3.3Å; L61-A63 PolarHBondContact O-N 3.31Å; L61-Y64 WeakPolarHBondContact O-CB 3.49Å; L61-Y64 PolarHBondContact O-N 3.04Å; L61-V65 WeakPolarHBondContact O-CG2 3.42Å; L61-V65 PolarHBondContact O-N 3.16Å; L61-T151 HydrophobicContact CD1-CG2 3.92Å; L61-K154 HydrophobicContact CD2-CB 3.81Å; L61-K154 HydrophobicContact CD2-CG 4.43Å
62L95.6Very high91.9Very high4 Ų429.9 Ų29.92%0.02116%0.159CC..Hα-helixtrans-65.1-36.1176.7-178.560.2000111.2L41 E42 I45 S58 C59 S60 Y64 V65 R66 L78L41-L62 HydrophobicContact CB-CB 4.08Å; L41-L62 HydrophobicContact CB-CD1 4.14Å; L41-L62 HydrophobicContact CB-CG 4.46Å; L41-L62 HydrophobicContact CD1-CB 4.07Å; L41-L62 HydrophobicContact CD1-CD1 4.39Å; E42-L62 HydrophobicContact CG-CD1 4.32Å; E42-L62 HydrophobicContact CG-CD2 3.69Å; I45-L62 HydrophobicContact CD1-CB 4.43Å; I45-L62 HydrophobicContact CD1-CD2 3.71Å; S58-L62 WeakPolarHBondContact O-CB 3.31Å; S58-L62 PolarHBondContact O-N 3.47Å; C59-L62 PolarHBondContact O-N 3.42Å; S60-L62 PolarHBondContact O-N 2.99Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 3.03Å; L62-V65 PolarHBondContact O-N 2.88Å; L62-R66 HydrophobicContact CD1-CG 4.25Å; L62-R66 HydrophobicContact CG-CG 4.27Å; L62-R66 WeakPolarHBondContact O-CB 3.42Å; L62-R66 VanDerWaalsContact O-CG 3.24Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 2.93Å; L62-L78 HydrophobicContact CB-CD1 4.18Å; L62-L78 HydrophobicContact CD2-CD1 3.84Å; L62-L78 HydrophobicContact CD2-CD2 4.03Å; L62-L78 HydrophobicContact CG-CD1 3.64Å
63A96.1Very high92.9Very high3 Ų330.9 Ų30.93%0.02516%0.159CC..Hα-helixtrans-60.7-43.6174.300000111.9C59 S60 L61 V65 R66 Y67 A75 L78 L79C59-A63 WeakPolarHBondContact O-CB 3.32Å; C59-A63 PolarHBondContact O-N 2.93Å; S60-A63 WeakPolarHBondContact O-CB 3.47Å; S60-A63 PolarHBondContact O-N 3.39Å; L61-A63 VanDerWaalsContact C-N 3.3Å; L61-A63 PolarHBondContact O-N 3.31Å; A63-V65 VanDerWaalsContact C-N 3.32Å; A63-V65 PolarHBondContact O-N 2.99Å; A63-R66 PolarHBondContact O-N 3.18Å; A63-Y67 PolarHBondContact O-N 3.43Å; A63-A75 HydrophobicContact CB-CB 4.17Å; A63-A75 VanDerWaalsContact CB-O 3.27Å; A63-A75 WeakPolarHBondContact CB-O 3.44Å; A63-A75 WeakPolarHBondContact O-CB 3.21Å; A63-L78 HydrophobicContact CB-CB 3.84Å; A63-L79 HydrophobicContact CB-CD1 4.31Å; A63-L79 HydrophobicContact CB-CD2 3.81Å; A63-L79 HydrophobicContact CB-CG 3.54Å
64Y94.8Very high93.5Very high13 Ų1334.7 Ų34.75%0.05118%0.176CC..Hα-helixtrans-61-41.5174.6-176.4-106000112H22 F23 L27 M32 S60 L61 L62 Y67 H68H22-Y64 HydrophobicContact CB-CD1 4.14Å; H22-Y64 HydrophobicContact CB-CD2 3.5Å; H22-Y64 VanDerWaalsContact CB-CD2 3.5Å; H22-Y64 HydrophobicContact CB-CE2 3.94Å; H22-Y64 HydrophobicContact CB-CG 3.6Å; H22-Y64 WeakPolarHBondContact O-CE2 3.39Å; F23-Y64 HydrophobicContact CD1-CD2 4.23Å; F23-Y64 AromaticContact CD1-CE2 3.86Å; F23-Y64 HydrophobicContact CD1-CE2 3.86Å; F23-Y64 HydrophobicContact CD2-CD2 4.13Å; F23-Y64 HydrophobicContact CD2-CE2 4.32Å; F23-Y64 HydrophobicContact CE1-CD2 4.07Å; F23-Y64 HydrophobicContact CE1-CE2 4.07Å; F23-Y64 AromaticContact CE2-CD2 3.96Å; F23-Y64 HydrophobicContact CE2-CD2 3.96Å; F23-Y64 HydrophobicContact CE2-CE2 4.5Å; F23-Y64 HydrophobicContact CG-CD2 4.26Å; F23-Y64 AromaticContact CG-CE2 3.99Å; F23-Y64 HydrophobicContact CG-CE2 3.99Å; F23-Y64 AromaticContact CZ-CD2 3.92Å; F23-Y64 HydrophobicContact CZ-CD2 3.92Å; F23-Y64 HydrophobicContact CZ-CE2 4.38Å; L27-Y64 HydrophobicContact CB-CE1 3.99Å; L27-Y64 HydrophobicContact CD1-CD1 4.19Å; L27-Y64 HydrophobicContact CD1-CE1 3.75Å; L27-Y64 HydrophobicContact CG-CE1 4.44Å; M32-Y64 HydrophobicContact CE-CE1 3.74Å; M32-Y64 HydrophobicContact SD-CD1 4.23Å; M32-Y64 HydrophobicContact SD-CE1 3.81Å; S60-Y64 PolarHBondContact O-N 3.2Å; L61-Y64 WeakPolarHBondContact O-CB 3.49Å; L61-Y64 PolarHBondContact O-N 3.04Å; L62-Y64 VanDerWaalsContact C-N 3.32Å; L62-Y64 PolarHBondContact O-N 3.03Å; Y64-Y67 WeakPolarHBondContact O-CB 3.49Å; Y64-Y67 PolarHBondContact O-N 2.97Å; Y64-H68 AromaticContact CD1-CD2 3.9Å; Y64-H68 AromaticContact CE1-CD2 3.53Å; Y64-H68 AromaticContact CE1-NE2 3.41Å; Y64-H68 WeakPolarHBondContact CE1-NE2 3.35Å; Y64-H68 AromaticContact CE2-NE2 3.54Å; Y64-H68 AromaticContact CZ-CD2 3.61Å; Y64-H68 AromaticContact CZ-NE2 3.04Å; Y64-H68 PolarHBondContact O-CD2 3.45Å; Y64-H68 VanDerWaalsContact O-CD2 3.27Å; Y64-H68 PolarHBondContact O-N 2.96Å; Y64-H68 PolarHBondContact OH-NE2 3.06Å
65V94.3Very high93.9Very high0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-62.8-44.8174.4173.90000111.5L34 L37 L41 L61 L62 A63 Y67 H68 Q69L34-V65 HydrophobicContact CB-CG1 4.45Å; L34-V65 HydrophobicContact CD2-CG1 4.06Å; L37-V65 HydrophobicContact CD2-CG2 3.69Å; L37-V65 HydrophobicContact CG-CG2 4.13Å; L41-V65 HydrophobicContact CD1-CG2 4.33Å; L61-V65 WeakPolarHBondContact O-CG2 3.42Å; L61-V65 PolarHBondContact O-N 3.16Å; L62-V65 PolarHBondContact O-N 2.88Å; A63-V65 VanDerWaalsContact C-N 3.32Å; A63-V65 PolarHBondContact O-N 2.99Å; V65-Y67 VanDerWaalsContact C-N 3.33Å; V65-Y67 PolarHBondContact O-N 2.85Å; V65-H68 PolarHBondContact O-N 3.41Å; V65-H68 VanDerWaalsContact O-N 3.12Å; V65-Q69 WeakPolarHBondContact O-CG 3.45Å; V65-Q69 PolarHBondContact O-N 3.23Å
66R94.8Very high94.2Very high34 Ų3434.5 Ų34.513%0.12817%0.172CC..Hα-helixtrans-64-36.9178.6-70.1-74.5176.1-141.69.5112.1S38 E42 L62 A63 H68 Q69 N70 Q71 A75 L78S38-R66 PolarHBondContact OG-NH1 3.06Å; S38-R66 PolarHBondContact OG-NH2 3.27Å; S38-R66 VanDerWaalsContact OG-NH2 3.09Å; E42-R66 IonicContact OE1-CZ 3.75Å; E42-R66 IonicContact OE1-NH2 2.83Å; E42-R66 PolarHBondContact OE1-NH2 3.31Å; E42-R66 IonicContact OE2-NH2 3.88Å; L62-R66 HydrophobicContact CD1-CG 4.25Å; L62-R66 HydrophobicContact CG-CG 4.27Å; L62-R66 WeakPolarHBondContact O-CB 3.42Å; L62-R66 VanDerWaalsContact O-CG 3.24Å; L62-R66 WeakPolarHBondContact O-CG 3.49Å; L62-R66 PolarHBondContact O-N 2.93Å; A63-R66 PolarHBondContact O-N 3.18Å; R66-H68 PolarHBondContact O-N 3.16Å; R66-Q69 CarbonylContact O-C 3.56Å; R66-Q69 PolarHBondContact O-N 2.84Å; R66-N70 PolarHBondContact O-N 2.99Å; R66-Q71 HydrophobicContact CB-CB 4.41Å; R66-Q71 PolarHBondContact O-N 3.09Å; R66-A75 HydrophobicContact CB-CB 4.12Å; R66-L78 HydrophobicContact CG-CD1 3.84Å
67Y93.7Very high94.4Very high60 Ų6040.3 Ų40.324%0.23520%0.197CC..Hα-helixtrans-58-47.4170.8173.6-96.9000111.4F23 A63 Y64 V65 Q69 N70 L108 H111F23-Y67 HydrophobicContact CD1-CE1 4.4Å; F23-Y67 AromaticContact CE1-CD1 3.56Å; F23-Y67 HydrophobicContact CE1-CD1 3.56Å; F23-Y67 HydrophobicContact CE1-CD2 4.39Å; F23-Y67 AromaticContact CE1-CE1 3.61Å; F23-Y67 HydrophobicContact CE1-CE1 3.61Å; F23-Y67 HydrophobicContact CE1-CE2 4.44Å; F23-Y67 AromaticContact CE1-CG 3.97Å; F23-Y67 HydrophobicContact CE1-CG 3.97Å; F23-Y67 HydrophobicContact CZ-CD1 4.13Å; F23-Y67 HydrophobicContact CZ-CG 4.12Å; A63-Y67 PolarHBondContact O-N 3.43Å; Y64-Y67 WeakPolarHBondContact O-CB 3.49Å; Y64-Y67 PolarHBondContact O-N 2.97Å; V65-Y67 VanDerWaalsContact C-N 3.33Å; V65-Y67 PolarHBondContact O-N 2.85Å; Y67-Q69 PolarHBondContact O-N 3.48Å; Y67-N70 PolarHBondContact O-N 3.01Å; Y67-L108 HydrophobicContact CD2-CD1 3.67Å; Y67-L108 HydrophobicContact CE2-CD1 4.29Å; Y67-H111 HydrophobicContact CE2-CB 4Å; Y67-H111 AromaticContact CE2-CD2 3.87Å; Y67-H111 AromaticContact CZ-CD2 3.6Å; Y67-H111 AromaticContact CZ-CG 3.99Å; Y67-H111 PolarHBondContact OH-CD2 3.29Å; Y67-H111 VanDerWaalsContact OH-CG 3.3Å; Y67-H111 PolarHBondContact OH-NE2 2.89Å
68H91.1Very high94.6Very high37 Ų3740 Ų4017%0.17120%0.195CC..Hα-helixtrans-67.8-18.9176.7-80.8-68.6000114.8K29 L34 Y64 V65 R66 N70K29-H68 PolarHBondContact NZ-O 3.13Å; K29-H68 VanDerWaalsContact NZ-O 3.15Å; L34-H68 HydrophobicContact CD1-CB 4.33Å; L34-H68 HydrophobicContact CD2-CB 4.2Å; Y64-H68 AromaticContact CD1-CD2 3.9Å; Y64-H68 AromaticContact CE1-CD2 3.53Å; Y64-H68 AromaticContact CE1-NE2 3.41Å; Y64-H68 WeakPolarHBondContact CE1-NE2 3.35Å; Y64-H68 AromaticContact CE2-NE2 3.54Å; Y64-H68 AromaticContact CZ-CD2 3.61Å; Y64-H68 AromaticContact CZ-NE2 3.04Å; Y64-H68 PolarHBondContact O-CD2 3.45Å; Y64-H68 VanDerWaalsContact O-CD2 3.27Å; Y64-H68 PolarHBondContact O-N 2.96Å; Y64-H68 PolarHBondContact OH-NE2 3.06Å; V65-H68 PolarHBondContact O-N 3.41Å; V65-H68 VanDerWaalsContact O-N 3.12Å; R66-H68 PolarHBondContact O-N 3.16Å; H68-N70 VanDerWaalsContact C-N 3.28Å
69Q92.5Very high94.7Very high40 Ų4039.9 Ų39.919%0.18719%0.194CC..THydrogen-bonded Turntrans-8810.2170.5-68.8171.9-39.200112.9V65 R66 Y67 Q71V65-Q69 WeakPolarHBondContact O-CG 3.45Å; V65-Q69 PolarHBondContact O-N 3.23Å; R66-Q69 CarbonylContact O-C 3.56Å; R66-Q69 PolarHBondContact O-N 2.84Å; Y67-Q69 PolarHBondContact O-N 3.48Å; Q69-Q71 VanDerWaalsContact C-N 3.35Å; Q69-Q71 PolarHBondContact O-N 3.39Å
70N93.1Very high94.8Very high142 Ų14243.1 Ų43.176%0.75921%0.211SC*.THydrogen-bonded Turntrans62.134.9-178.2-55.5-51.5000114R66 Y67 H68 P72R66-N70 PolarHBondContact O-N 2.99Å; Y67-N70 PolarHBondContact O-N 3.01Å; H68-N70 VanDerWaalsContact C-N 3.28Å; N70-P72 WeakPolarHBondContact O-CD 3.36Å
71Q94.3Very high94.8Very high84 Ų8447.7 Ų47.739%0.39323%0.231SC..  trans-119.565.8177.6-63.2177.9-11.300111.4R66 Q69 D73 E74 A75R66-Q71 HydrophobicContact CB-CB 4.41Å; R66-Q71 PolarHBondContact O-N 3.09Å; Q69-Q71 VanDerWaalsContact C-N 3.35Å; Q69-Q71 PolarHBondContact O-N 3.39Å; Q71-D73 VanDerWaalsContact C-N 3.33Å; Q71-D73 PolarHBondContact O-N 3.47Å; Q71-E74 HydrophobicContact CB-CB 4.34Å; Q71-E74 PolarHBondContact O-N 2.66Å; Q71-A75 PolarHBondContact O-N 2.91Å
72P93.7Very high94.8Very high43 Ų4347.5 Ų47.528%0.27923%0.23SC..Hα-helixtrans-67.5-28-173.227.7-35.8000114N70 A75 L76 L108 T112N70-P72 WeakPolarHBondContact O-CD 3.36Å; P72-A75 PolarHBondContact O-N 3.34Å; P72-L76 WeakPolarHBondContact O-CB 3.33Å; P72-L76 PolarHBondContact O-N 2.71Å; P72-L108 HydrophobicContact CB-CD1 4.2Å; P72-T112 HydrophobicContact CB-CG2 4.1Å
73D93.9Very high94.8Very high108 Ų10848 Ų4858%0.57823%0.232SC*.Hα-helixtrans-71-40.2178.2-68-39.9000112Q71 L76 K77Q71-D73 VanDerWaalsContact C-N 3.33Å; Q71-D73 PolarHBondContact O-N 3.47Å; D73-L76 PolarHBondContact O-N 3.22Å; D73-K77 WeakPolarHBondContact O-CG 3.46Å; D73-K77 PolarHBondContact O-N 2.85Å; D73-K77 VanDerWaalsContact O-N 3.11Å
74E95.1Very high94.7Very high83 Ų8353.2 Ų53.239%0.38826%0.257SS..Hα-helixtrans-67.9-40.5172.6-69.3-56.3134.700111.1Q71 L76 K77 L78Q71-E74 HydrophobicContact CB-CB 4.34Å; Q71-E74 PolarHBondContact O-N 2.66Å; E74-L76 VanDerWaalsContact C-N 3.26Å; E74-L76 PolarHBondContact O-N 3.37Å; E74-K77 PolarHBondContact O-N 3.24Å; E74-K77 IonicContact OE1-NZ 2.88Å; E74-K77 PolarHBondContact OE1-NZ 3.27Å; E74-L78 WeakPolarHBondContact O-CG 3.25Å; E74-L78 PolarHBondContact O-N 3.15Å
75A96.3Very high94.6Very high1 Ų153.7 Ų53.71%0.00826%0.261CS..Hα-helixtrans-56.1-42.3172.600000111.8A63 R66 Q71 P72 L78 L79 L108A63-A75 HydrophobicContact CB-CB 4.17Å; A63-A75 VanDerWaalsContact CB-O 3.27Å; A63-A75 WeakPolarHBondContact CB-O 3.44Å; A63-A75 WeakPolarHBondContact O-CB 3.21Å; R66-A75 HydrophobicContact CB-CB 4.12Å; Q71-A75 PolarHBondContact O-N 2.91Å; P72-A75 PolarHBondContact O-N 3.34Å; A75-L78 PolarHBondContact O-N 3.13Å; A75-L79 PolarHBondContact O-N 2.83Å; A75-L108 HydrophobicContact CB-CD1 4.36Å; A75-L108 HydrophobicContact CB-CD2 4.04Å
76L96.1Very high94.6Very high27 Ų2754 Ų5414%0.14126%0.263CS..Hα-helixtrans-65.2-45.1178.2-178.859.8000112P72 D73 E74 L78 L79 L80 L105 L108 Y109P72-L76 WeakPolarHBondContact O-CB 3.33Å; P72-L76 PolarHBondContact O-N 2.71Å; D73-L76 PolarHBondContact O-N 3.22Å; E74-L76 VanDerWaalsContact C-N 3.26Å; E74-L76 PolarHBondContact O-N 3.37Å; L76-L78 VanDerWaalsContact C-N 3.26Å; L76-L78 PolarHBondContact O-N 3.38Å; L76-L79 PolarHBondContact O-N 3.45Å; L76-L80 HydrophobicContact CD1-CD1 4.28Å; L76-L80 HydrophobicContact CD1-CG 4.25Å; L76-L80 HydrophobicContact CG-CD1 4.15Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 3.17Å; L76-L105 HydrophobicContact CD1-CD2 3.71Å; L76-L108 HydrophobicContact CB-CD2 3.74Å; L76-L108 HydrophobicContact CD1-CD2 4.13Å; L76-Y109 HydrophobicContact CD1-CE1 4.09Å; L76-Y109 HydrophobicContact CD1-CE2 4.06Å; L76-Y109 HydrophobicContact CD2-CE1 4.01Å
77K96.4Very high94.5Very high124 Ų12456.3 Ų56.354%0.53927%0.273SS..Hα-helixtrans-57.8-42176.4-70.1173.5-170.7169.50111.4D73 E74 L80 K81D73-K77 WeakPolarHBondContact O-CG 3.46Å; D73-K77 PolarHBondContact O-N 2.85Å; D73-K77 VanDerWaalsContact O-N 3.11Å; E74-K77 PolarHBondContact O-N 3.24Å; E74-K77 IonicContact OE1-NZ 2.88Å; E74-K77 PolarHBondContact OE1-NZ 3.27Å; K77-L80 PolarHBondContact O-N 2.97Å; K77-K81 WeakPolarHBondContact O-CB 3.38Å; K77-K81 PolarHBondContact O-N 3.09Å
78L96.9Very high94.4Very high24 Ų2459 Ų5913%0.12629%0.288CS..Hα-helixtrans-66.9-42179.1-72.9167.8000112.7L62 A63 R66 E74 A75 L76 K81 S82L62-L78 HydrophobicContact CB-CD1 4.18Å; L62-L78 HydrophobicContact CD2-CD1 3.84Å; L62-L78 HydrophobicContact CD2-CD2 4.03Å; L62-L78 HydrophobicContact CG-CD1 3.64Å; A63-L78 HydrophobicContact CB-CB 3.84Å; R66-L78 HydrophobicContact CG-CD1 3.84Å; E74-L78 WeakPolarHBondContact O-CG 3.25Å; E74-L78 PolarHBondContact O-N 3.15Å; A75-L78 PolarHBondContact O-N 3.13Å; L76-L78 VanDerWaalsContact C-N 3.26Å; L76-L78 PolarHBondContact O-N 3.38Å; L78-K81 WeakPolarHBondContact O-CB 3.44Å; L78-K81 PolarHBondContact O-N 3.45Å; L78-S82 PolarHBondContact O-N 3.21Å
79L96.5Very high94.4Very high4 Ų459.8 Ų59.82%0.02130%0.295CS..Hα-helixtrans-65.4-39.8175.5-72.7173.3000112.3A63 A75 L76 K81 S82 E83 D104 L105 L108A63-L79 HydrophobicContact CB-CD1 4.31Å; A63-L79 HydrophobicContact CB-CD2 3.81Å; A63-L79 HydrophobicContact CB-CG 3.54Å; A75-L79 PolarHBondContact O-N 2.83Å; L76-L79 PolarHBondContact O-N 3.45Å; L79-K81 VanDerWaalsContact C-N 3.34Å; L79-S82 WeakPolarHBondContact O-CB 3.38Å; L79-S82 PolarHBondContact O-N 3.34Å; L79-E83 PolarHBondContact O-N 2.73Å; L79-D104 HydrophobicContact CD1-CB 3.91Å; L79-D104 HydrophobicContact CD2-CB 3.68Å; L79-D104 HydrophobicContact CG-CB 4.48Å; L79-L105 HydrophobicContact CB-CD2 3.5Å; L79-L105 VanDerWaalsContact CB-CD2 3.5Å; L79-L105 HydrophobicContact CB-CG 3.87Å; L79-L105 HydrophobicContact CD1-CD2 3.88Å; L79-L105 HydrophobicContact CD1-CG 4.06Å; L79-L105 HydrophobicContact CG-CD2 4.33Å; L79-L105 HydrophobicContact CG-CG 4.49Å; L79-L108 HydrophobicContact CD1-CB 4.32Å; L79-L108 HydrophobicContact CD1-CD2 3.76Å
80L95.8Very high94.1Very high68 Ų6860.5 Ų60.536%0.35630%0.297SS..Hα-helixtrans-65.8-38.7175.3-67.3174.6000111.6L76 K77 S82 E83 Q84 L105L76-L80 HydrophobicContact CD1-CD1 4.28Å; L76-L80 HydrophobicContact CD1-CG 4.25Å; L76-L80 HydrophobicContact CG-CD1 4.15Å; L76-L80 WeakPolarHBondContact O-CG 3.21Å; L76-L80 PolarHBondContact O-N 3.17Å; K77-L80 PolarHBondContact O-N 2.97Å; L80-S82 VanDerWaalsContact C-N 3.33Å; L80-E83 PolarHBondContact O-N 3.15Å; L80-Q84 WeakPolarHBondContact O-CB 3.44Å; L80-Q84 PolarHBondContact O-N 3.44Å; L80-L105 HydrophobicContact CD2-CD2 4.27Å
81K94.9Very high94Very high97 Ų9759.7 Ų59.742%0.42229%0.292SS..Hα-helixtrans-62.6-41.1171.7-177.2178178.4-177.90111.4K77 L78 L79 Q84 T85K77-K81 WeakPolarHBondContact O-CB 3.38Å; K77-K81 PolarHBondContact O-N 3.09Å; L78-K81 WeakPolarHBondContact O-CB 3.44Å; L78-K81 PolarHBondContact O-N 3.45Å; L79-K81 VanDerWaalsContact C-N 3.34Å; K81-Q84 PolarHBondContact O-N 3.26Å; K81-T85 VanDerWaalsContact O-CB 3.31Å; K81-T85 WeakPolarHBondContact O-CB 3.43Å; K81-T85 PolarHBondContact O-N 2.9Å; K81-T85 PolarHBondContact O-OG1 3.21Å
82S95.1Very high93.3Very high1 Ų164.3 Ų64.31%0.00731%0.313CS..Hα-helixtrans-61-46.9174.7-172.80000111.7A56 S60 L78 L79 L80 Q84 T85 T86A56-S82 PolarHBondContact O-OG 3.03Å; S60-S82 WeakPolarHBondContact OG-CB 3.42Å; S60-S82 PolarHBondContact OG-OG 3.49Å; L78-S82 PolarHBondContact O-N 3.21Å; L79-S82 WeakPolarHBondContact O-CB 3.38Å; L79-S82 PolarHBondContact O-N 3.34Å; L80-S82 VanDerWaalsContact C-N 3.33Å; S82-Q84 PolarHBondContact O-N 3.27Å; S82-T85 PolarHBondContact O-N 2.8Å; S82-T86 WeakPolarHBondContact O-CB 3.43Å; S82-T86 PolarHBondContact O-N 3.18Å; S82-T86 PolarHBondContact O-OG1 3.11Å
83E95.2Very high92.7Very high14 Ų1466.2 Ų66.27%0.06532%0.321CS..Hα-helixtrans-57.6-48.6176.5-178.5-178.3178.300111.1L79 L80 K87 L98 T101 Y102 Y121 R124L79-E83 PolarHBondContact O-N 2.73Å; L80-E83 PolarHBondContact O-N 3.15Å; E83-K87 HydrophobicContact CG-CD 4.49Å; E83-K87 WeakPolarHBondContact O-CG 3.47Å; E83-K87 PolarHBondContact O-N 3.02Å; E83-K87 IonicContact OE1-NZ 3.51Å; E83-K87 PolarHBondContact OE1-NZ 3.07Å; E83-L98 HydrophobicContact CB-CD2 4.24Å; E83-L98 HydrophobicContact CG-CD2 4.01Å; E83-T101 HydrophobicContact CB-CG2 4.18Å; E83-Y102 HydrophobicContact CG-CE1 4.31Å; E83-Y121 PolarHBondContact OE2-OH 2.95Å; E83-R124 IonicContact OE1-NH1 2.69Å
84Q94.4Very high92.5Very high114 Ų11461.7 Ų61.753%0.53330%0.298SS..Hα-helixtrans-63.6-49.9178.9180175.7-200111.9L80 K81 S82 T86 K87 E88L80-Q84 WeakPolarHBondContact O-CB 3.44Å; L80-Q84 PolarHBondContact O-N 3.44Å; K81-Q84 PolarHBondContact O-N 3.26Å; S82-Q84 PolarHBondContact O-N 3.27Å; Q84-T86 VanDerWaalsContact C-N 3.26Å; Q84-T86 PolarHBondContact O-N 3.28Å; Q84-K87 PolarHBondContact O-N 3.49Å; Q84-K87 VanDerWaalsContact O-N 3.13Å; Q84-E88 HydrophobicContact CG-CG 4.45Å; Q84-E88 VanDerWaalsContact CG-OE1 3.24Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.44Å; Q84-E88 PolarHBondContact NE2-OE1 3.5Å; Q84-E88 WeakPolarHBondContact O-CG 3.47Å; Q84-E88 PolarHBondContact O-N 3.3Å
85T92.8Very high92.2Very high23 Ų2360.9 Ų60.914%0.14129%0.294CS..Hα-helixtrans-59.4-40.3-179.2-53.50000110.8A56 K81 S82 K87 E88 V89A56-T85 HydrophobicContact CB-CG2 4.2Å; K81-T85 VanDerWaalsContact O-CB 3.31Å; K81-T85 WeakPolarHBondContact O-CB 3.43Å; K81-T85 PolarHBondContact O-N 2.9Å; K81-T85 PolarHBondContact O-OG1 3.21Å; S82-T85 PolarHBondContact O-N 2.8Å; T85-K87 PolarHBondContact O-N 3.14Å; T85-E88 PolarHBondContact O-N 3.34Å; T85-V89 HydrophobicContact CG2-CG2 4.27Å; T85-V89 WeakPolarHBondContact O-CB 3.17Å; T85-V89 VanDerWaalsContact O-CG2 3.25Å; T85-V89 WeakPolarHBondContact O-CG2 3.44Å; T85-V89 PolarHBondContact O-N 2.98Å
86T93.3Very high91.9Very high6 Ų664 Ų644%0.03731%0.306CS..Hα-helixtrans-64.4-40.8178.4-57.30000111.7A56 S82 Q84 Y90 R97 L98A56-T86 VanDerWaalsContact CB-OG1 3.26Å; A56-T86 WeakPolarHBondContact CB-OG1 3.42Å; S82-T86 WeakPolarHBondContact O-CB 3.43Å; S82-T86 PolarHBondContact O-N 3.18Å; S82-T86 PolarHBondContact O-OG1 3.11Å; Q84-T86 VanDerWaalsContact C-N 3.26Å; Q84-T86 PolarHBondContact O-N 3.28Å; T86-Y90 HydrophobicContact CG2-CD2 3.9Å; T86-Y90 HydrophobicContact CG2-CE2 4.44Å; T86-Y90 WeakPolarHBondContact O-CD2 3.47Å; T86-Y90 PolarHBondContact O-N 3.15Å; T86-R97 HydrophobicContact CG2-CB 3.65Å; T86-L98 HydrophobicContact CG2-CD2 3.78Å; T86-L98 HydrophobicContact CG2-CG 3.89Å
87K93.4Very high91.6Very high82 Ų8264.2 Ų64.236%0.35731%0.305SS..Hα-helixtrans-65.7-41.3175.6-70.3174.8-173.8172.90112.2E83 Q84 T85 L91 L98E83-K87 HydrophobicContact CG-CD 4.49Å; E83-K87 WeakPolarHBondContact O-CG 3.47Å; E83-K87 PolarHBondContact O-N 3.02Å; E83-K87 IonicContact OE1-NZ 3.51Å; E83-K87 PolarHBondContact OE1-NZ 3.07Å; Q84-K87 PolarHBondContact O-N 3.49Å; Q84-K87 VanDerWaalsContact O-N 3.13Å; T85-K87 PolarHBondContact O-N 3.14Å; K87-L91 WeakPolarHBondContact O-CA 3.28Å; K87-L91 PolarHBondContact O-N 2.89Å; K87-L98 HydrophobicContact CD-CD1 4.47Å; K87-L98 HydrophobicContact CG-CD1 3.96Å
88E91.9Very high91.5Very high116 Ų11658.4 Ų58.454%0.54228%0.279SS..Hα-helixtrans-66.5-38.8178.5-71.4171.7-17600112.2Q84 T85Q84-E88 HydrophobicContact CG-CG 4.45Å; Q84-E88 VanDerWaalsContact CG-OE1 3.24Å; Q84-E88 WeakPolarHBondContact CG-OE1 3.44Å; Q84-E88 PolarHBondContact NE2-OE1 3.5Å; Q84-E88 WeakPolarHBondContact O-CG 3.47Å; Q84-E88 PolarHBondContact O-N 3.3Å; T85-E88 PolarHBondContact O-N 3.34Å
89V90.4Very high91.4Very high54 Ų5457.5 Ų57.533%0.32728%0.275SS..Hα-helixtrans-78.5-46.7-177.1169.30000112.8P52 T85P52-V89 HydrophobicContact CB-CB 4.3Å; P52-V89 HydrophobicContact CB-CG1 3.64Å; P52-V89 HydrophobicContact CB-CG2 3.59Å; T85-V89 HydrophobicContact CG2-CG2 4.27Å; T85-V89 WeakPolarHBondContact O-CB 3.17Å; T85-V89 VanDerWaalsContact O-CG2 3.25Å; T85-V89 WeakPolarHBondContact O-CG2 3.44Å; T85-V89 PolarHBondContact O-N 2.98Å
90Y87.8Confident91.3Very high56 Ų5657.4 Ų57.422%0.2227%0.274CS..Hα-helixtrans-101.7-7.5-170.3-63.5-80.1000113.7G53 T86 E92 D93 R97 E179G53-Y90 WeakPolarHBondContact CA-OH 3.38Å; T86-Y90 HydrophobicContact CG2-CD2 3.9Å; T86-Y90 HydrophobicContact CG2-CE2 4.44Å; T86-Y90 WeakPolarHBondContact O-CD2 3.47Å; T86-Y90 PolarHBondContact O-N 3.15Å; Y90-E92 PolarHBondContact O-N 3.2Å; Y90-E92 VanDerWaalsContact O-N 3.07Å; Y90-D93 PolarHBondContact O-N 3.44Å; Y90-R97 HydrophobicContact CD2-CG 4.25Å; Y90-R97 HydrophobicContact CE2-CG 4.36Å; Y90-R97 HydrophobicContact CG-CG 4.32Å; Y90-E179 PolarHBondContact OH-OE2 3.2Å
91L89.6Confident91.3Very high124 Ų12454.2 Ų54.265%0.64926%0.258SS*.G310 helixtrans48.4-113.4176.2-57.9175000111.8K87 D93 S94K87-L91 WeakPolarHBondContact O-CA 3.28Å; K87-L91 PolarHBondContact O-N 2.89Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.41Å; L91-S94 VanDerWaalsContact O-CB 3.25Å; L91-S94 WeakPolarHBondContact O-CB 3.28Å; L91-S94 PolarHBondContact O-N 3.23Å; L91-S94 PolarHBondContact O-OG 3.03Å
92E80.5Confident91.3Very high181 Ų18150.5 Ų50.585%0.84624%0.241SC*.G310 helixtrans-64.2-26.9-177.9-61.4-175.5173.100113.3Y90Y90-E92 PolarHBondContact O-N 3.2Å; Y90-E92 VanDerWaalsContact O-N 3.07Å
93D81.4Confident91.4Very high84 Ų8450.4 Ų50.445%0.44924%0.241SC..G310 helixtrans-89.91179.6-77.2-39.8000113.9Y90 L91 E95 R96Y90-D93 PolarHBondContact O-N 3.44Å; L91-D93 VanDerWaalsContact C-N 3.26Å; L91-D93 PolarHBondContact O-N 3.41Å; D93-E95 VanDerWaalsContact C-N 3.31Å; D93-E95 PolarHBondContact O-N 3.43Å; D93-R96 IonicContact OD1-CZ 3.76Å; D93-R96 IonicContact OD1-NH2 2.69Å; D93-R96 PolarHBondContact OD1-NH2 3.21Å
94S88.4Confident91.4Very high12 Ų1249.8 Ų49.88%0.08424%0.238CC..Hα-helixtrans-64.1-31-174.361.20000114L91 R96 R97 L98L91-S94 VanDerWaalsContact O-CB 3.25Å; L91-S94 WeakPolarHBondContact O-CB 3.28Å; L91-S94 PolarHBondContact O-N 3.23Å; L91-S94 PolarHBondContact O-OG 3.03Å; S94-R96 VanDerWaalsContact C-N 3.33Å; S94-R96 PolarHBondContact O-N 2.92Å; S94-R97 PolarHBondContact O-N 3.35Å; S94-R97 VanDerWaalsContact O-N 3.08Å; S94-L98 VanDerWaalsContact O-CG 3.26Å; S94-L98 WeakPolarHBondContact O-CG 3.37Å; S94-L98 PolarHBondContact O-N 2.98Å; S94-L98 VanDerWaalsContact O-N 3.09Å
95E89.4Confident91.5Very high66 Ų6644.4 Ų44.431%0.30821%0.213SC..Hα-helixtrans-58.4-42.2-175.1-68.4-176.5170.800113D93 R97 L98 V128 K131 Y132D93-E95 VanDerWaalsContact C-N 3.31Å; D93-E95 PolarHBondContact O-N 3.43Å; E95-R97 VanDerWaalsContact C-N 3.31Å; E95-R97 PolarHBondContact O-N 3.36Å; E95-L98 PolarHBondContact O-N 3.08Å; E95-V128 HydrophobicContact CB-CG2 4.26Å; E95-K131 IonicContact OE1-NZ 3.35Å; E95-K131 PolarHBondContact OE1-NZ 3.26Å; E95-K131 WeakPolarHBondContact OE2-CD 3.33Å; E95-K131 IonicContact OE2-NZ 2.65Å; E95-K131 PolarHBondContact OE2-NZ 2.88Å; E95-Y132 HydrophobicContact CB-CE2 4.38Å
96R90.1Very high91.7Very high68 Ų6843.3 Ų43.326%0.25721%0.206SC..Hα-helixtrans-67.4-32.3178.8-66.9-177.5-79.5172.7-6.2112.5D93 S94 L98 I99 Y132 E143D93-R96 IonicContact OD1-CZ 3.76Å; D93-R96 IonicContact OD1-NH2 2.69Å; D93-R96 PolarHBondContact OD1-NH2 3.21Å; S94-R96 VanDerWaalsContact C-N 3.33Å; S94-R96 PolarHBondContact O-N 2.92Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-I99 VanDerWaalsContact O-CD1 3.28Å; R96-I99 WeakPolarHBondContact O-CD1 3.3Å; R96-I99 VanDerWaalsContact O-CG1 3.31Å; R96-I99 WeakPolarHBondContact O-CG1 3.33Å; R96-Y132 HydrophobicContact CG-CD1 4.43Å; R96-Y132 HydrophobicContact CG-CD2 3.82Å; R96-Y132 HydrophobicContact CG-CE2 4.01Å; R96-Y132 HydrophobicContact CG-CG 4.05Å; R96-E143 HydrophobicContact CB-CG 4.08Å; R96-E143 WeakPolarHBondContact O-CB 3.27Å
97R90.1Very high91.8Very high31 Ų3143.9 Ų43.912%0.11721%0.208CC..Hα-helixtrans-79.2-16.5178.6-63.6-77.6174.8156.3-3.4112.5T86 Y90 S94 E95 E143 D177 E179 W180T86-R97 HydrophobicContact CG2-CB 3.65Å; Y90-R97 HydrophobicContact CD2-CG 4.25Å; Y90-R97 HydrophobicContact CE2-CG 4.36Å; Y90-R97 HydrophobicContact CG-CG 4.32Å; S94-R97 PolarHBondContact O-N 3.35Å; S94-R97 VanDerWaalsContact O-N 3.08Å; E95-R97 VanDerWaalsContact C-N 3.31Å; E95-R97 PolarHBondContact O-N 3.36Å; R97-E143 HydrophobicContact CG-CG 4.11Å; R97-D177 IonicContact NH2-OD2 3.52Å; R97-D177 PolarHBondContact NH2-OD2 3.28Å; R97-E179 IonicContact CZ-OE2 2.74Å; R97-E179 IonicContact NH1-OE1 3.83Å; R97-E179 IonicContact NH1-OE2 2.62Å; R97-E179 PolarHBondContact NH1-OE2 3.16Å; R97-E179 IonicContact NH2-OE2 3.21Å; R97-W180 VanDerWaalsContact CZ-CZ2 3.47Å
98L94.1Very high91.9Very high1 Ų140.1 Ų40.11%0.00519%0.191CC..THydrogen-bonded Turntrans-88.4-3.8-179.2-71.5170.1000114.1E83 T86 K87 S94 E95 R96 V100 T101 Y102E83-L98 HydrophobicContact CB-CD2 4.24Å; E83-L98 HydrophobicContact CG-CD2 4.01Å; T86-L98 HydrophobicContact CG2-CD2 3.78Å; T86-L98 HydrophobicContact CG2-CG 3.89Å; K87-L98 HydrophobicContact CD-CD1 4.47Å; K87-L98 HydrophobicContact CG-CD1 3.96Å; S94-L98 VanDerWaalsContact O-CG 3.26Å; S94-L98 WeakPolarHBondContact O-CG 3.37Å; S94-L98 PolarHBondContact O-N 2.98Å; S94-L98 VanDerWaalsContact O-N 3.09Å; E95-L98 PolarHBondContact O-N 3.08Å; R96-L98 VanDerWaalsContact C-N 3.32Å; L98-V100 VanDerWaalsContact C-N 3.34Å; L98-V100 PolarHBondContact O-N 2.97Å; L98-T101 HydrophobicContact CD2-CG2 4.45Å; L98-T101 PolarHBondContact O-N 3.35Å; L98-Y102 HydrophobicContact CB-CD1 4.41Å; L98-Y102 HydrophobicContact CB-CD2 4.09Å; L98-Y102 HydrophobicContact CB-CE1 4.09Å; L98-Y102 HydrophobicContact CB-CE2 3.73Å; L98-Y102 HydrophobicContact CB-CG 4.42Å; L98-Y102 HydrophobicContact CD1-CE1 4.27Å; L98-Y102 HydrophobicContact CD1-CE2 4.46Å; L98-Y102 WeakPolarHBondContact CD1-OH 2.98Å; L98-Y102 WeakPolarHBondContact O-CB 3.41Å; L98-Y102 VanDerWaalsContact O-CG 3.29Å; L98-Y102 PolarHBondContact O-N 3.12Å
99I93.9Very high92.1Very high6 Ų635.3 Ų35.33%0.03117%0.168CC..Hα-helixtrans-52.7-51.2-177-64.5170.3000111.3R96 G103 V128 L129 H141 V144R96-I99 VanDerWaalsContact O-CD1 3.28Å; R96-I99 WeakPolarHBondContact O-CD1 3.3Å; R96-I99 VanDerWaalsContact O-CG1 3.31Å; R96-I99 WeakPolarHBondContact O-CG1 3.33Å; I99-G103 PolarHBondContact O-N 2.95Å; I99-G103 VanDerWaalsContact O-N 3.08Å; I99-V128 HydrophobicContact CD1-CG1 3.97Å; I99-V128 HydrophobicContact CG1-CB 4.4Å; I99-V128 HydrophobicContact CG1-CG1 3.7Å; I99-L129 HydrophobicContact CD1-CD2 4.19Å; I99-H141 HydrophobicContact CD1-CB 4.08Å; I99-V144 HydrophobicContact CB-CG2 4.13Å; I99-V144 HydrophobicContact CD1-CG2 4.26Å; I99-V144 HydrophobicContact CG2-CG2 3.8Å
100V95.1Very high92.3Very high1 Ų134.7 Ų34.71%0.00616%0.16CC..Hα-helixtrans-69.9-42.2-178.3-175.50000111.1Q20 W25 L98 Y102 G103 D104 V144 E147Q20-V100 WeakPolarHBondContact O-CA 3.31Å; W25-V100 HydrophobicContact CH2-CG1 3.69Å; W25-V100 HydrophobicContact CH2-CG2 3.99Å; W25-V100 HydrophobicContact CZ2-CG1 4.02Å; W25-V100 HydrophobicContact CZ2-CG2 3.95Å; W25-V100 HydrophobicContact CZ3-CG1 4.41Å; L98-V100 VanDerWaalsContact C-N 3.34Å; L98-V100 PolarHBondContact O-N 2.97Å; V100-Y102 VanDerWaalsContact C-N 3.33Å; V100-Y102 PolarHBondContact O-N 3.14Å; V100-G103 CarbonylContact O-C 3.36Å; V100-G103 WeakPolarHBondContact O-CA 3.31Å; V100-G103 PolarHBondContact O-N 3.48Å; V100-D104 PolarHBondContact O-N 3.45Å; V100-V144 HydrophobicContact CG2-CG1 4.38Å; V100-V144 HydrophobicContact CG2-CG2 4.17Å; V100-E147 VanDerWaalsContact CB-CD 3.45Å; V100-E147 HydrophobicContact CB-CG 4.41Å; V100-E147 VanDerWaalsContact CB-OE2 3.25Å; V100-E147 WeakPolarHBondContact CB-OE2 3.35Å; V100-E147 HydrophobicContact CG1-CG 4.28Å; V100-E147 WeakPolarHBondContact CG1-OE1 3.41Å; V100-E147 HydrophobicContact CG2-CB 4.27Å; V100-E147 HydrophobicContact CG2-CG 4.26Å; V100-E147 WeakPolarHBondContact CG2-OE2 3.31Å
101T95.4Very high92.5Very high2 Ų235.9 Ų35.91%0.01217%0.168CC..Hα-helixtrans-62.2-39.2178.4-60.80000111.8S60 E83 L98 D104 L105S60-T101 PolarHBondContact OG-OG1 3.31Å; E83-T101 HydrophobicContact CB-CG2 4.18Å; L98-T101 HydrophobicContact CD2-CG2 4.45Å; L98-T101 PolarHBondContact O-N 3.35Å; T101-D104 PolarHBondContact O-N 3.03Å; T101-L105 HydrophobicContact CG2-CD1 4.1Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 VanDerWaalsContact O-CG 3.32Å; T101-L105 WeakPolarHBondContact O-CG 3.4Å; T101-L105 PolarHBondContact O-N 3.43Å
102Y96.1Very high92.6Very high18 Ų1832.5 Ų32.57%0.07115%0.152CC..Hα-helixtrans-66.2-39.1172.7-67.9-22.5000112E83 L98 V100 L105 A106 Y121 R124 V128E83-Y102 HydrophobicContact CG-CE1 4.31Å; L98-Y102 HydrophobicContact CB-CD1 4.41Å; L98-Y102 HydrophobicContact CB-CD2 4.09Å; L98-Y102 HydrophobicContact CB-CE1 4.09Å; L98-Y102 HydrophobicContact CB-CE2 3.73Å; L98-Y102 HydrophobicContact CB-CG 4.42Å; L98-Y102 HydrophobicContact CD1-CE1 4.27Å; L98-Y102 HydrophobicContact CD1-CE2 4.46Å; L98-Y102 WeakPolarHBondContact CD1-OH 2.98Å; L98-Y102 WeakPolarHBondContact O-CB 3.41Å; L98-Y102 VanDerWaalsContact O-CG 3.29Å; L98-Y102 PolarHBondContact O-N 3.12Å; V100-Y102 VanDerWaalsContact C-N 3.33Å; V100-Y102 PolarHBondContact O-N 3.14Å; Y102-L105 PolarHBondContact O-N 3Å; Y102-A106 VanDerWaalsContact O-CB 3.31Å; Y102-A106 WeakPolarHBondContact O-CB 3.46Å; Y102-A106 PolarHBondContact O-N 3.11Å; Y102-Y121 AromaticContact CD1-CD1 3.64Å; Y102-Y121 HydrophobicContact CD1-CD1 3.64Å; Y102-Y121 AromaticContact CD1-CE1 3.8Å; Y102-Y121 HydrophobicContact CD1-CE1 3.8Å; Y102-Y121 HydrophobicContact CE1-CD1 4.29Å; Y102-Y121 HydrophobicContact CE1-CE1 4.09Å; Y102-Y121 HydrophobicContact CG-CD1 4.23Å; Y102-R124 HydrophobicContact CD2-CB 4.01Å; Y102-R124 HydrophobicContact CE2-CB 4.1Å; Y102-R124 HydrophobicContact CG-CB 4.45Å; Y102-V128 HydrophobicContact CE2-CG2 4.33Å
103G95.8Very high93.1Very high0 Ų025.8 Ų25.80%013%0.132CC..Hα-helixtrans-58.5-48.5171.600000112.6I99 V100 A106 W107I99-G103 PolarHBondContact O-N 2.95Å; I99-G103 VanDerWaalsContact O-N 3.08Å; V100-G103 CarbonylContact O-C 3.36Å; V100-G103 WeakPolarHBondContact O-CA 3.31Å; V100-G103 PolarHBondContact O-N 3.48Å; G103-A106 WeakPolarHBondContact O-CB 3.43Å; G103-A106 PolarHBondContact O-N 3.43Å; G103-W107 PolarHBondContact O-N 3.21Å
104D96.2Very high93.6Very high1 Ų125.9 Ų25.91%0.00513%0.128CC..Hα-helixtrans-63.8-42.7178.1-68.8-29.9000112.3S21 H22 F23 L79 V100 T101 A106 W107 L108S21-D104 VanDerWaalsContact CB-OD1 3.31Å; S21-D104 WeakPolarHBondContact CB-OD1 3.35Å; H22-D104 IonicContact CE1-OD2 2.91Å; H22-D104 PolarHBondContact CE1-OD2 2.97Å; H22-D104 IonicContact CG-OD1 3.81Å; H22-D104 IonicContact CG-OD2 3.34Å; H22-D104 PolarHBondContact N-OD1 2.83Å; H22-D104 IonicContact ND1-OD1 3.65Å; H22-D104 PolarHBondContact ND1-OD1 3.15Å; H22-D104 IonicContact ND1-OD2 2.7Å; H22-D104 PolarHBondContact ND1-OD2 3.27Å; F23-D104 HydrophobicContact CD2-CB 4.49Å; F23-D104 HydrophobicContact CE2-CB 4.18Å; L79-D104 HydrophobicContact CD1-CB 3.91Å; L79-D104 HydrophobicContact CD2-CB 3.68Å; L79-D104 HydrophobicContact CG-CB 4.48Å; V100-D104 PolarHBondContact O-N 3.45Å; T101-D104 PolarHBondContact O-N 3.03Å; D104-A106 VanDerWaalsContact C-N 3.31Å; D104-A106 PolarHBondContact O-N 3.47Å; D104-W107 PolarHBondContact O-N 3.21Å; D104-L108 WeakPolarHBondContact O-CB 3.42Å; D104-L108 PolarHBondContact O-N 2.76Å
105L96.7Very high93.8Very high0 Ų029.8 Ų29.80%014%0.144CC..Hα-helixtrans-62-40.8175-77.8166.8000111.2L76 L79 L80 T101 Y102 L108 Y109 Y121L76-L105 HydrophobicContact CD1-CD2 3.71Å; L79-L105 HydrophobicContact CB-CD2 3.5Å; L79-L105 VanDerWaalsContact CB-CD2 3.5Å; L79-L105 HydrophobicContact CB-CG 3.87Å; L79-L105 HydrophobicContact CD1-CD2 3.88Å; L79-L105 HydrophobicContact CD1-CG 4.06Å; L79-L105 HydrophobicContact CG-CD2 4.33Å; L79-L105 HydrophobicContact CG-CG 4.49Å; L80-L105 HydrophobicContact CD2-CD2 4.27Å; T101-L105 HydrophobicContact CG2-CD1 4.1Å; T101-L105 WeakPolarHBondContact O-CB 3.43Å; T101-L105 VanDerWaalsContact O-CG 3.32Å; T101-L105 WeakPolarHBondContact O-CG 3.4Å; T101-L105 PolarHBondContact O-N 3.43Å; Y102-L105 PolarHBondContact O-N 3Å; L105-L108 PolarHBondContact O-N 2.91Å; L105-Y109 HydrophobicContact CD2-CE2 4.21Å; L105-Y109 WeakPolarHBondContact O-CB 3.48Å; L105-Y109 WeakPolarHBondContact O-CD2 3.37Å; L105-Y109 PolarHBondContact O-N 2.88Å; L105-Y121 HydrophobicContact CB-CD1 3.94Å; L105-Y121 HydrophobicContact CB-CD2 4.25Å; L105-Y121 HydrophobicContact CB-CE1 4.13Å; L105-Y121 HydrophobicContact CB-CE2 4.45Å; L105-Y121 HydrophobicContact CB-CG 3.99Å; L105-Y121 HydrophobicContact CD1-CD1 3.99Å; L105-Y121 HydrophobicContact CD1-CE1 3.42Å; L105-Y121 VanDerWaalsContact CD1-CE1 3.42Å; L105-Y121 HydrophobicContact CG-CE1 4.36Å
106A96.2Very high94.1Very high0 Ų031.5 Ų31.50%016%0.159CC..Hα-helixtrans-62.9-45.617800000111.8L16 L19 Y102 G103 D104 Y110 S118L16-A106 HydrophobicContact CD2-CB 3.58Å; L19-A106 HydrophobicContact CD1-CB 3.99Å; Y102-A106 VanDerWaalsContact O-CB 3.31Å; Y102-A106 WeakPolarHBondContact O-CB 3.46Å; Y102-A106 PolarHBondContact O-N 3.11Å; G103-A106 WeakPolarHBondContact O-CB 3.43Å; G103-A106 PolarHBondContact O-N 3.43Å; D104-A106 VanDerWaalsContact C-N 3.31Å; D104-A106 PolarHBondContact O-N 3.47Å; A106-Y110 WeakPolarHBondContact O-CB 3.29Å; A106-Y110 PolarHBondContact O-N 2.94Å; A106-S118 WeakPolarHBondContact O-CB 3.44Å; A106-S118 PolarHBondContact O-OG 3.44Å
107W96.1Very high94.3Very high19 Ų1933 Ų337%0.07217%0.168CC..Hα-helixtrans-63.9-44.9174.9-87.4106.1000112.7F13 L16 Q17 S21 F23 T24 G103 D104 Y109 Y110 H111F13-W107 HydrophobicContact CD2-CH2 4.22Å; F13-W107 HydrophobicContact CD2-CZ3 4.37Å; F13-W107 AromaticContact CE2-CH2 3.77Å; F13-W107 HydrophobicContact CE2-CH2 3.77Å; F13-W107 AromaticContact CE2-CZ3 3.99Å; F13-W107 HydrophobicContact CE2-CZ3 3.99Å; F13-W107 HydrophobicContact CZ-CH2 4.46Å; L16-W107 HydrophobicContact CB-CD2 4.17Å; L16-W107 HydrophobicContact CB-CH2 4.05Å; L16-W107 HydrophobicContact CB-CZ2 3.63Å; L16-W107 HydrophobicContact CB-CZ3 4.49Å; L16-W107 HydrophobicContact CD1-CE3 4.46Å; L16-W107 HydrophobicContact CD2-CD2 4.33Å; L16-W107 HydrophobicContact CD2-CG 4.24Å; L16-W107 PolarHBondContact O-NE1 2.9Å; Q17-W107 HydrophobicContact CG-CH2 4.38Å; Q17-W107 HydrophobicContact CG-CZ2 4.32Å; S21-W107 VanDerWaalsContact OG-CD1 3.3Å; S21-W107 PolarHBondContact OG-NE1 3.32Å; F23-W107 HydrophobicContact CB-CB 4.13Å; F23-W107 HydrophobicContact CB-CD2 3.93Å; F23-W107 HydrophobicContact CB-CG 3.67Å; F23-W107 HydrophobicContact CD1-CB 4.18Å; F23-W107 HydrophobicContact CD2-CB 3.55Å; F23-W107 AromaticContact CD2-CG 3.99Å; F23-W107 HydrophobicContact CD2-CG 3.99Å; F23-W107 HydrophobicContact CE2-CB 3.94Å; F23-W107 HydrophobicContact CG-CB 3.69Å; F23-W107 HydrophobicContact CG-CD2 4.35Å; F23-W107 AromaticContact CG-CG 3.82Å; F23-W107 HydrophobicContact CG-CG 3.82Å; F23-W107 HydrophobicContact CZ-CB 4.42Å; T24-W107 HydrophobicContact CG2-CZ2 3.99Å; G103-W107 PolarHBondContact O-N 3.21Å; D104-W107 PolarHBondContact O-N 3.21Å; W107-Y109 PolarHBondContact O-N 2.89Å; W107-Y110 WeakPolarHBondContact O-CB 3.24Å; W107-Y110 PolarHBondContact O-N 3.43Å; W107-H111 AromaticContact CE3-CE1 3.89Å; W107-H111 AromaticContact CE3-NE2 3.49Å; W107-H111 PolarHBondContact O-CD2 3.42Å; W107-H111 PolarHBondContact O-N 3.14Å
108L95Very high94.5Very high3 Ų331.6 Ų31.62%0.01616%0.162CC..Hα-helixtrans-65.1-40.9179.9-173.264.8000112.1Y67 P72 A75 L76 L79 D104 L105 Y110 H111 T112Y67-L108 HydrophobicContact CD2-CD1 3.67Å; Y67-L108 HydrophobicContact CE2-CD1 4.29Å; P72-L108 HydrophobicContact CB-CD1 4.2Å; A75-L108 HydrophobicContact CB-CD1 4.36Å; A75-L108 HydrophobicContact CB-CD2 4.04Å; L76-L108 HydrophobicContact CB-CD2 3.74Å; L76-L108 HydrophobicContact CD1-CD2 4.13Å; L79-L108 HydrophobicContact CD1-CB 4.32Å; L79-L108 HydrophobicContact CD1-CD2 3.76Å; D104-L108 WeakPolarHBondContact O-CB 3.42Å; D104-L108 PolarHBondContact O-N 2.76Å; L105-L108 PolarHBondContact O-N 2.91Å; L108-Y110 VanDerWaalsContact C-N 3.31Å; L108-Y110 PolarHBondContact O-N 3.38Å; L108-H111 PolarHBondContact O-N 2.97Å; L108-T112 WeakPolarHBondContact O-CG2 3.44Å; L108-T112 PolarHBondContact O-N 2.91Å; L108-T112 PolarHBondContact O-OG1 3Å
109Y95.4Very high94.5Very high14 Ų1436 Ų366%0.05518%0.183CC..Hα-helixtrans-66.8-33174.3-80.1-55.4000112.7L76 L105 W107 T112 G113 K114 K117 Y121L76-Y109 HydrophobicContact CD1-CE1 4.09Å; L76-Y109 HydrophobicContact CD1-CE2 4.06Å; L76-Y109 HydrophobicContact CD2-CE1 4.01Å; L105-Y109 HydrophobicContact CD2-CE2 4.21Å; L105-Y109 WeakPolarHBondContact O-CB 3.48Å; L105-Y109 WeakPolarHBondContact O-CD2 3.37Å; L105-Y109 PolarHBondContact O-N 2.88Å; W107-Y109 PolarHBondContact O-N 2.89Å; Y109-T112 WeakPolarHBondContact CA-OG1 3.5Å; Y109-T112 PolarHBondContact O-OG1 3.11Å; Y109-G113 PolarHBondContact O-N 3.14Å; Y109-K114 HydrophobicContact CD1-CB 3.82Å; Y109-K114 HydrophobicContact CD1-CD 3.73Å; Y109-K114 HydrophobicContact CD1-CG 4.41Å; Y109-K114 HydrophobicContact CE1-CD 3.95Å; Y109-K114 HydrophobicContact CG-CB 4.48Å; Y109-K114 CarbonylContact O-C 3.18Å; Y109-K114 WeakPolarHBondContact O-CA 3.2Å; Y109-K114 PolarHBondContact O-N 2.8Å; Y109-K117 HydrophobicContact CD1-CB 3.96Å; Y109-K117 HydrophobicContact CD1-CD 4.01Å; Y109-K117 HydrophobicContact CD2-CB 3.94Å; Y109-K117 HydrophobicContact CE1-CB 4.27Å; Y109-K117 HydrophobicContact CE1-CD 3.58Å; Y109-K117 HydrophobicContact CE2-CB 4.29Å; Y109-K117 HydrophobicContact CE2-CD 4.48Å; Y109-K117 HydrophobicContact CG-CB 3.78Å; Y109-Y121 AromaticContact CD2-CD2 3.81Å; Y109-Y121 HydrophobicContact CD2-CD2 3.81Å; Y109-Y121 AromaticContact CD2-CE2 3.95Å; Y109-Y121 HydrophobicContact CD2-CE2 3.95Å; Y109-Y121 AromaticContact CE2-CD2 3.82Å; Y109-Y121 HydrophobicContact CE2-CD2 3.82Å; Y109-Y121 AromaticContact CE2-CE2 3.44Å; Y109-Y121 HydrophobicContact CE2-CE2 3.44Å; Y109-Y121 VanDerWaalsContact CE2-CE2 3.44Å
110Y94.5Very high94.6Very high42 Ų4242.1 Ų42.117%0.16521%0.209CC..Hα-helixtrans-64.2-50.1173.4-177-95000111.2L12 F13 L16 A106 W107 L108 T112 G113 F115L12-Y110 HydrophobicContact CD2-CD2 3.85Å; L12-Y110 HydrophobicContact CD2-CE2 4.2Å; L12-Y110 HydrophobicContact CG-CD2 4.16Å; L12-Y110 HydrophobicContact CG-CE2 4.37Å; F13-Y110 AromaticContact CD2-CE1 3.98Å; F13-Y110 HydrophobicContact CD2-CE1 3.98Å; F13-Y110 AromaticContact CD2-CZ 3.95Å; L16-Y110 HydrophobicContact CD1-CD1 4.05Å; L16-Y110 HydrophobicContact CD1-CD2 3.41Å; L16-Y110 VanDerWaalsContact CD1-CD2 3.41Å; L16-Y110 HydrophobicContact CD1-CE2 4.07Å; L16-Y110 HydrophobicContact CD1-CG 3.41Å; L16-Y110 VanDerWaalsContact CD1-CG 3.41Å; A106-Y110 WeakPolarHBondContact O-CB 3.29Å; A106-Y110 PolarHBondContact O-N 2.94Å; W107-Y110 WeakPolarHBondContact O-CB 3.24Å; W107-Y110 PolarHBondContact O-N 3.43Å; L108-Y110 VanDerWaalsContact C-N 3.31Å; L108-Y110 PolarHBondContact O-N 3.38Å; Y110-T112 PolarHBondContact O-N 2.71Å; Y110-G113 PolarHBondContact O-N 3.28Å; Y110-F115 AromaticContact CD2-CD1 3.66Å; Y110-F115 HydrophobicContact CD2-CD1 3.66Å; Y110-F115 AromaticContact CD2-CE1 3.73Å; Y110-F115 HydrophobicContact CD2-CE1 3.73Å; Y110-F115 AromaticContact CE2-CD1 3.89Å; Y110-F115 HydrophobicContact CE2-CD1 3.89Å; Y110-F115 AromaticContact CE2-CE1 3.69Å; Y110-F115 HydrophobicContact CE2-CE1 3.69Å; Y110-F115 HydrophobicContact CG-CD1 4.49Å; Y110-F115 HydrophobicContact CG-CE1 4.35Å
111H91.9Very high94.5Very high81 Ų8143.3 Ų43.338%0.37521%0.214SC..Hα-helixtrans-63.4-27.9179-69.6-47.8000113.8Y67 W107 L108 G113Y67-H111 HydrophobicContact CE2-CB 4Å; Y67-H111 AromaticContact CE2-CD2 3.87Å; Y67-H111 AromaticContact CZ-CD2 3.6Å; Y67-H111 AromaticContact CZ-CG 3.99Å; Y67-H111 PolarHBondContact OH-CD2 3.29Å; Y67-H111 VanDerWaalsContact OH-CG 3.3Å; Y67-H111 PolarHBondContact OH-NE2 2.89Å; W107-H111 AromaticContact CE3-CE1 3.89Å; W107-H111 AromaticContact CE3-NE2 3.49Å; W107-H111 PolarHBondContact O-CD2 3.42Å; W107-H111 PolarHBondContact O-N 3.14Å; L108-H111 PolarHBondContact O-N 2.97Å; H111-G113 VanDerWaalsContact C-N 3.32Å
112T91.3Very high94.4Very high52 Ų5243.2 Ų43.232%0.31921%0.213SC..THydrogen-bonded Turntrans-88.88.1175.955.80000113.8P72 L108 Y109 Y110 K114P72-T112 HydrophobicContact CB-CG2 4.1Å; L108-T112 WeakPolarHBondContact O-CG2 3.44Å; L108-T112 PolarHBondContact O-N 2.91Å; L108-T112 PolarHBondContact O-OG1 3Å; Y109-T112 WeakPolarHBondContact CA-OG1 3.5Å; Y109-T112 PolarHBondContact O-OG1 3.11Å; Y110-T112 PolarHBondContact O-N 2.71Å; T112-K114 VanDerWaalsContact C-N 3.27Å; T112-K114 PolarHBondContact O-N 3.24Å
113G91Very high94.3Very high41 Ų4146.5 Ų46.542%0.42323%0.229SC..THydrogen-bonded Turntrans759177.300000115Y109 Y110 H111 F115Y109-G113 PolarHBondContact O-N 3.14Å; Y110-G113 PolarHBondContact O-N 3.28Å; H111-G113 VanDerWaalsContact C-N 3.32Å; G113-F115 VanDerWaalsContact C-N 3.32Å; G113-F115 WeakPolarHBondContact O-CD2 3.41Å; G113-F115 PolarHBondContact O-N 3.19Å
114K93.8Very high94.2Very high86 Ų8651.9 Ų51.937%0.37425%0.249SC..  trans-9260.6-179.4-67170.2-176.9163.20110.6Y109 T112 T116 K117 S118Y109-K114 HydrophobicContact CD1-CB 3.82Å; Y109-K114 HydrophobicContact CD1-CD 3.73Å; Y109-K114 HydrophobicContact CD1-CG 4.41Å; Y109-K114 HydrophobicContact CE1-CD 3.95Å; Y109-K114 HydrophobicContact CG-CB 4.48Å; Y109-K114 CarbonylContact O-C 3.18Å; Y109-K114 WeakPolarHBondContact O-CA 3.2Å; Y109-K114 PolarHBondContact O-N 2.8Å; T112-K114 VanDerWaalsContact C-N 3.27Å; T112-K114 PolarHBondContact O-N 3.24Å; K114-T116 VanDerWaalsContact C-N 3.31Å; K114-T116 PolarHBondContact O-N 3.02Å; K114-K117 HydrophobicContact CB-CB 4.47Å; K114-K117 PolarHBondContact O-N 2.7Å; K114-K117 VanDerWaalsContact O-N 3.07Å; K114-S118 PolarHBondContact O-N 2.94Å; K114-S118 VanDerWaalsContact O-N 3.08Å
115F92.8Very high94Very high93 Ų9351.9 Ų51.941%0.40825%0.249SC..Hα-helixtrans-57.6-36-171.3-56.1-64000114.7L12 Y110 G113 K117 S118 Q119L12-F115 HydrophobicContact CD2-CB 4.13Å; L12-F115 HydrophobicContact CD2-CD1 4.15Å; Y110-F115 AromaticContact CD2-CD1 3.66Å; Y110-F115 HydrophobicContact CD2-CD1 3.66Å; Y110-F115 AromaticContact CD2-CE1 3.73Å; Y110-F115 HydrophobicContact CD2-CE1 3.73Å; Y110-F115 AromaticContact CE2-CD1 3.89Å; Y110-F115 HydrophobicContact CE2-CD1 3.89Å; Y110-F115 AromaticContact CE2-CE1 3.69Å; Y110-F115 HydrophobicContact CE2-CE1 3.69Å; Y110-F115 HydrophobicContact CG-CD1 4.49Å; Y110-F115 HydrophobicContact CG-CE1 4.35Å; G113-F115 VanDerWaalsContact C-N 3.32Å; G113-F115 WeakPolarHBondContact O-CD2 3.41Å; G113-F115 PolarHBondContact O-N 3.19Å; F115-K117 VanDerWaalsContact C-N 3.33Å; F115-K117 PolarHBondContact O-N 3.34Å; F115-S118 WeakPolarHBondContact O-CB 3.33Å; F115-S118 PolarHBondContact O-N 3.24Å; F115-Q119 PolarHBondContact O-N 3.03Å
116T93.8Very high93.7Very high103 Ų10354.9 Ų54.963%0.63226%0.264SS*.Hα-helixtrans-65.4-35.9178.355.90000112.6K114 K120K114-T116 VanDerWaalsContact C-N 3.31Å; K114-T116 PolarHBondContact O-N 3.02Å; T116-K120 WeakPolarHBondContact O-CG 3.47Å; T116-K120 PolarHBondContact O-N 3.25Å
117K94.1Very high93.5Very high100 Ų10059.5 Ų59.544%0.43529%0.288SS..Hα-helixtrans-73.4-41.4174.3-69-172.1176-172.60110.8Y109 K114 F115 Q119 K120 Y121Y109-K117 HydrophobicContact CD1-CB 3.96Å; Y109-K117 HydrophobicContact CD1-CD 4.01Å; Y109-K117 HydrophobicContact CD2-CB 3.94Å; Y109-K117 HydrophobicContact CE1-CB 4.27Å; Y109-K117 HydrophobicContact CE1-CD 3.58Å; Y109-K117 HydrophobicContact CE2-CB 4.29Å; Y109-K117 HydrophobicContact CE2-CD 4.48Å; Y109-K117 HydrophobicContact CG-CB 3.78Å; K114-K117 HydrophobicContact CB-CB 4.47Å; K114-K117 PolarHBondContact O-N 2.7Å; K114-K117 VanDerWaalsContact O-N 3.07Å; F115-K117 VanDerWaalsContact C-N 3.33Å; F115-K117 PolarHBondContact O-N 3.34Å; K117-Q119 VanDerWaalsContact C-N 3.35Å; K117-Q119 PolarHBondContact O-N 3.2Å; K117-K120 PolarHBondContact O-N 3.29Å; K117-Y121 WeakPolarHBondContact O-CD2 2.93Å; K117-Y121 PolarHBondContact O-N 3.43Å; K117-Y121 VanDerWaalsContact O-N 3.13Å
118S94.8Very high93.2Very high0 Ų059 Ų590%029%0.287CS..Hα-helixtrans-54.1-51.1174.7179.30000111.2A106 K114 F115 K120 Y121 C122A106-S118 WeakPolarHBondContact O-CB 3.44Å; A106-S118 PolarHBondContact O-OG 3.44Å; K114-S118 PolarHBondContact O-N 2.94Å; K114-S118 VanDerWaalsContact O-N 3.08Å; F115-S118 WeakPolarHBondContact O-CB 3.33Å; F115-S118 PolarHBondContact O-N 3.24Å; S118-K120 VanDerWaalsContact C-N 3.34Å; S118-K120 PolarHBondContact O-N 2.92Å; S118-Y121 PolarHBondContact O-N 3.33Å; S118-Y121 VanDerWaalsContact O-N 3.13Å; S118-C122 PolarHBondContact O-N 3.17Å; S118-C122 PolarHBondContact O-SG 3.2Å
119Q94.1Very high92.9Very high95 Ų9562.4 Ų62.444%0.44431%0.305SS..Hα-helixtrans-59-40.1177.9-171.6178.47.200113.2L12 F115 K117 Y121 C122 Q123L12-Q119 HydrophobicContact CD1-CB 4.16Å; F115-Q119 PolarHBondContact O-N 3.03Å; K117-Q119 VanDerWaalsContact C-N 3.35Å; K117-Q119 PolarHBondContact O-N 3.2Å; Q119-Y121 PolarHBondContact O-N 3.06Å; Q119-C122 WeakPolarHBondContact O-CB 3.35Å; Q119-C122 PolarHBondContact O-N 3.03Å; Q119-Q123 WeakPolarHBondContact O-CG 3.41Å; Q119-Q123 PolarHBondContact O-N 3.37Å
120K95.6Very high92.6Very high133 Ų13367.9 Ų67.958%0.57833%0.334SS*.Hα-helixtrans-62.5-40176.5-74.2178.2-178.9-172.80112.5T116 K117 S118 Q123 R124T116-K120 WeakPolarHBondContact O-CG 3.47Å; T116-K120 PolarHBondContact O-N 3.25Å; K117-K120 PolarHBondContact O-N 3.29Å; S118-K120 VanDerWaalsContact C-N 3.34Å; S118-K120 PolarHBondContact O-N 2.92Å; K120-Q123 PolarHBondContact O-N 2.86Å; K120-R124 WeakPolarHBondContact O-CG 3.48Å; K120-R124 PolarHBondContact O-N 3.49Å
121Y94.8Very high92.4Very high26 Ų2671.4 Ų71.410%0.10235%0.35CS..Hα-helixtrans-73.3-34.6176.8-82-78.1000112.2E83 Y102 L105 Y109 K117 S118 Q119 Q123 R124 A125E83-Y121 PolarHBondContact OE2-OH 2.95Å; Y102-Y121 AromaticContact CD1-CD1 3.64Å; Y102-Y121 HydrophobicContact CD1-CD1 3.64Å; Y102-Y121 AromaticContact CD1-CE1 3.8Å; Y102-Y121 HydrophobicContact CD1-CE1 3.8Å; Y102-Y121 HydrophobicContact CE1-CD1 4.29Å; Y102-Y121 HydrophobicContact CE1-CE1 4.09Å; Y102-Y121 HydrophobicContact CG-CD1 4.23Å; L105-Y121 HydrophobicContact CB-CD1 3.94Å; L105-Y121 HydrophobicContact CB-CD2 4.25Å; L105-Y121 HydrophobicContact CB-CE1 4.13Å; L105-Y121 HydrophobicContact CB-CE2 4.45Å; L105-Y121 HydrophobicContact CB-CG 3.99Å; L105-Y121 HydrophobicContact CD1-CD1 3.99Å; L105-Y121 HydrophobicContact CD1-CE1 3.42Å; L105-Y121 VanDerWaalsContact CD1-CE1 3.42Å; L105-Y121 HydrophobicContact CG-CE1 4.36Å; Y109-Y121 AromaticContact CD2-CD2 3.81Å; Y109-Y121 HydrophobicContact CD2-CD2 3.81Å; Y109-Y121 AromaticContact CD2-CE2 3.95Å; Y109-Y121 HydrophobicContact CD2-CE2 3.95Å; Y109-Y121 AromaticContact CE2-CD2 3.82Å; Y109-Y121 HydrophobicContact CE2-CD2 3.82Å; Y109-Y121 AromaticContact CE2-CE2 3.44Å; Y109-Y121 HydrophobicContact CE2-CE2 3.44Å; Y109-Y121 VanDerWaalsContact CE2-CE2 3.44Å; K117-Y121 WeakPolarHBondContact O-CD2 2.93Å; K117-Y121 PolarHBondContact O-N 3.43Å; K117-Y121 VanDerWaalsContact O-N 3.13Å; S118-Y121 PolarHBondContact O-N 3.33Å; S118-Y121 VanDerWaalsContact O-N 3.13Å; Q119-Y121 PolarHBondContact O-N 3.06Å; Y121-Q123 VanDerWaalsContact C-N 3.33Å; Y121-Q123 PolarHBondContact O-N 3.48Å; Y121-R124 PolarHBondContact O-N 2.98Å; Y121-A125 PolarHBondContact O-N 3.09Å
122C92.9Very high92.3Very high0 Ų070.6 Ų70.60%034%0.344CS..Hα-helixtrans-57.6-46.9169.2-63.70000111.4M15 L16 L19 S118 Q119 A125 Q126M15-C122 HydrophobicContact CE-CB 4.06Å; L16-C122 VanDerWaalsContact CD2-SG 3.56Å; L19-C122 HydrophobicContact CD1-CB 4.46Å; S118-C122 PolarHBondContact O-N 3.17Å; S118-C122 PolarHBondContact O-SG 3.2Å; Q119-C122 WeakPolarHBondContact O-CB 3.35Å; Q119-C122 PolarHBondContact O-N 3.03Å; C122-A125 PolarHBondContact O-N 3.34Å; C122-Q126 WeakPolarHBondContact O-CG 3.37Å; C122-Q126 PolarHBondContact O-N 3.15Å
123Q93.3Very high92Very high88 Ų8873.1 Ų73.141%0.41136%0.362SS..Hα-helixtrans-60.6-47.5177.1-74.5171.6-1400111.2Q119 K120 Y121 A125 Q126 D127Q119-Q123 WeakPolarHBondContact O-CG 3.41Å; Q119-Q123 PolarHBondContact O-N 3.37Å; K120-Q123 PolarHBondContact O-N 2.86Å; Y121-Q123 VanDerWaalsContact C-N 3.33Å; Y121-Q123 PolarHBondContact O-N 3.48Å; Q123-A125 VanDerWaalsContact C-N 3.32Å; Q123-A125 PolarHBondContact O-N 3.42Å; Q123-Q126 CarbonylContact O-C 3.39Å; Q123-Q126 WeakPolarHBondContact O-CA 3.42Å; Q123-Q126 WeakPolarHBondContact O-CB 3.36Å; Q123-Q126 PolarHBondContact O-N 2.95Å; Q123-D127 PolarHBondContact O-N 2.97Å
124R94Very high91.6Very high112 Ų11273.7 Ų73.742%0.42336%0.357SS..Hα-helixtrans-57-43176.2-74.9178.8175.6-172.6-1.8113.1E83 Y102 K120 Y121 Q126 D127 V128E83-R124 IonicContact OE1-NH1 2.69Å; Y102-R124 HydrophobicContact CD2-CB 4.01Å; Y102-R124 HydrophobicContact CE2-CB 4.1Å; Y102-R124 HydrophobicContact CG-CB 4.45Å; K120-R124 WeakPolarHBondContact O-CG 3.48Å; K120-R124 PolarHBondContact O-N 3.49Å; Y121-R124 PolarHBondContact O-N 2.98Å; R124-Q126 VanDerWaalsContact C-N 3.33Å; R124-D127 PolarHBondContact O-N 3.2Å; R124-V128 WeakPolarHBondContact O-CG2 3.37Å; R124-V128 PolarHBondContact O-N 2.94Å
125A91.4Very high90.8Very high1 Ų175.1 Ų75.11%0.00838%0.378CS..Hα-helixtrans-62.8-42.6176.400000111.2L19 Y121 C122 Q123 V128 L129L19-A125 HydrophobicContact CD2-CB 4.04Å; Y121-A125 PolarHBondContact O-N 3.09Å; C122-A125 PolarHBondContact O-N 3.34Å; Q123-A125 VanDerWaalsContact C-N 3.32Å; Q123-A125 PolarHBondContact O-N 3.42Å; A125-V128 PolarHBondContact O-N 3.45Å; A125-L129 WeakPolarHBondContact O-CG 3.34Å; A125-L129 PolarHBondContact O-N 3.18Å
126Q90.5Very high90Very high64 Ų6473 Ų7330%0.29938%0.375SS..Hα-helixtrans-65.5-40.8176.4-71.2175.4-12.600112.6M15 C122 Q123 R124 V128 L129 I130M15-Q126 VanDerWaalsContact CE-NE2 3.33Å; C122-Q126 WeakPolarHBondContact O-CG 3.37Å; C122-Q126 PolarHBondContact O-N 3.15Å; Q123-Q126 CarbonylContact O-C 3.39Å; Q123-Q126 WeakPolarHBondContact O-CA 3.42Å; Q123-Q126 WeakPolarHBondContact O-CB 3.36Å; Q123-Q126 PolarHBondContact O-N 2.95Å; R124-Q126 VanDerWaalsContact C-N 3.33Å; Q126-V128 VanDerWaalsContact C-N 3.27Å; Q126-V128 PolarHBondContact O-N 3.47Å; Q126-L129 PolarHBondContact O-N 3.23Å; Q126-L129 VanDerWaalsContact O-N 3.1Å; Q126-I130 WeakPolarHBondContact O-CG1 3.42Å; Q126-I130 PolarHBondContact O-N 3.33Å
127D91.8Very high88.9Confident96 Ų9674.2 Ų74.251%0.51339%0.387SS..Hα-helixtrans-59.5-40.8178-66.3-24.8000110.9Q123 R124 I130 K131Q123-D127 PolarHBondContact O-N 2.97Å; R124-D127 PolarHBondContact O-N 3.2Å; D127-I130 PolarHBondContact O-N 3.08Å; D127-K131 VanDerWaalsContact O-CB 3.25Å; D127-K131 WeakPolarHBondContact O-CB 3.29Å; D127-K131 PolarHBondContact O-N 3.44Å
128V90.6Very high87.9Confident8 Ų877.6 Ų77.65%0.04841%0.405CS..Hα-helixtrans-63.4-45174.6176.50000111E95 I99 Y102 R124 A125 Q126 I130 K131 Y132E95-V128 HydrophobicContact CB-CG2 4.26Å; I99-V128 HydrophobicContact CD1-CG1 3.97Å; I99-V128 HydrophobicContact CG1-CB 4.4Å; I99-V128 HydrophobicContact CG1-CG1 3.7Å; Y102-V128 HydrophobicContact CE2-CG2 4.33Å; R124-V128 WeakPolarHBondContact O-CG2 3.37Å; R124-V128 PolarHBondContact O-N 2.94Å; A125-V128 PolarHBondContact O-N 3.45Å; Q126-V128 VanDerWaalsContact C-N 3.27Å; Q126-V128 PolarHBondContact O-N 3.47Å; V128-I130 VanDerWaalsContact C-N 3.31Å; V128-I130 PolarHBondContact O-N 3.07Å; V128-K131 PolarHBondContact O-N 3.4Å; V128-Y132 HydrophobicContact CG1-CD2 4.04Å; V128-Y132 WeakPolarHBondContact O-CD2 3.3Å; V128-Y132 PolarHBondContact O-N 3.23Å
129L88.2Confident87.3Confident75 Ų7579.4 Ų79.439%0.39342%0.416SS..Hα-helixtrans-64.5-34.3178.4-64.8175.6000112.6I99 A125 Q126 Y132 H141I99-L129 HydrophobicContact CD1-CD2 4.19Å; A125-L129 WeakPolarHBondContact O-CG 3.34Å; A125-L129 PolarHBondContact O-N 3.18Å; Q126-L129 PolarHBondContact O-N 3.23Å; Q126-L129 VanDerWaalsContact O-N 3.1Å; L129-Y132 CarbonylContact O-C 3.22Å; L129-H141 VanDerWaalsContact CD2-CD2 3.49Å; L129-H141 WeakPolarHBondContact CD2-CD2 3.5Å
130I89.7Confident87.1Confident130 Ų13076.8 Ų76.867%0.66740%0.404SS*.Hα-helixtrans-71.8-42175.1-68165000110.6Q126 D127 V128 Y132Q126-I130 WeakPolarHBondContact O-CG1 3.42Å; Q126-I130 PolarHBondContact O-N 3.33Å; D127-I130 PolarHBondContact O-N 3.08Å; V128-I130 VanDerWaalsContact C-N 3.31Å; V128-I130 PolarHBondContact O-N 3.07Å; I130-Y132 VanDerWaalsContact C-N 3.3Å; I130-Y132 PolarHBondContact O-N 2.97Å
131K90.6Very high86.8Confident116 Ų11671.1 Ų71.150%0.50438%0.38SS..Hα-helixtrans-66.2-33.4179.5-174.1176.6176.6-169.60112.1E95 D127 V128E95-K131 IonicContact OE1-NZ 3.35Å; E95-K131 PolarHBondContact OE1-NZ 3.26Å; E95-K131 WeakPolarHBondContact OE2-CD 3.33Å; E95-K131 IonicContact OE2-NZ 2.65Å; E95-K131 PolarHBondContact OE2-NZ 2.88Å; D127-K131 VanDerWaalsContact O-CB 3.25Å; D127-K131 WeakPolarHBondContact O-CB 3.29Å; D127-K131 PolarHBondContact O-N 3.44Å; V128-K131 PolarHBondContact O-N 3.4Å
132Y88.6Confident86.7Confident63 Ų6370.3 Ų70.325%0.24738%0.378CS..SBendtrans-124.976.5-179.3-57-77000110.7E95 R96 V128 L129 I130 H141E95-Y132 HydrophobicContact CB-CE2 4.38Å; R96-Y132 HydrophobicContact CG-CD1 4.43Å; R96-Y132 HydrophobicContact CG-CD2 3.82Å; R96-Y132 HydrophobicContact CG-CE2 4.01Å; R96-Y132 HydrophobicContact CG-CG 4.05Å; V128-Y132 HydrophobicContact CG1-CD2 4.04Å; V128-Y132 WeakPolarHBondContact O-CD2 3.3Å; V128-Y132 PolarHBondContact O-N 3.23Å; L129-Y132 CarbonylContact O-C 3.22Å; I130-Y132 VanDerWaalsContact C-N 3.3Å; I130-Y132 PolarHBondContact O-N 2.97Å; Y132-H141 PolarHBondContact O-CE1 3.29Å; Y132-H141 PolarHBondContact O-NE2 3.32Å
133P85.7Confident86.7Confident106 Ų10670.8 Ų70.869%0.68838%0.38SS*.  trans-67.3141.4-177.927.8-34.4000111.9
134T82.8Confident86.7Confident52 Ų5266.7 Ų66.732%0.31936%0.361SS..  trans-84.7165.7170.955.80000111.2S136 V139T134-S136 PolarHBondContact O-N 3.47Å; T134-S136 PolarHBondContact OG1-O 3.1Å; T134-V139 WeakPolarHBondContact CB-O 3.42Å; T134-V139 WeakPolarHBondContact CG2-O 3.14Å; T134-V139 PolarHBondContact OG1-O 3.3Å; T134-V139 VanDerWaalsContact OG1-O 3.05Å
135S76.9Confident86.8Confident116 Ų11661.5 Ų61.581%0.81134%0.342SS*.SBendtrans-64.2-25.6-178.952.80000113.8
136S76.5Confident86.9Confident49 Ų4961.4 Ų61.434%0.34334%0.341SS..SBendtrans-153.4158.3172.3770000111.2T134 E138 V139T134-S136 PolarHBondContact O-N 3.47Å; T134-S136 PolarHBondContact OG1-O 3.1Å; S136-E138 PolarHBondContact O-N 2.96Å; S136-E138 VanDerWaalsContact O-N 3.08Å; S136-V139 PolarHBondContact O-N 3.3Å; S136-V139 VanDerWaalsContact O-N 3.08Å; S136-V139 WeakPolarHBondContact OG-CG2 3.39Å
137S69.6Low87.1Confident129 Ų12958.7 Ų58.790%0.90233%0.329SS*.THydrogen-bonded Turntrans-61.9-15.6178.2-1740000114.1
138E74.1Confident87.2Confident170 Ų17055.2 Ų55.279%0.79431%0.309SS*.THydrogen-bonded Turntrans-91.6-17.4178.9-64.3-177.8173.600112.8S136S136-E138 PolarHBondContact O-N 2.96Å; S136-E138 VanDerWaalsContact O-N 3.08Å
139V82.1Confident87.5Confident38 Ų3854.9 Ų54.923%0.2331%0.307CS..  trans-91.3115.9180175.90000108.7T134 S136 Y145T134-V139 WeakPolarHBondContact CB-O 3.42Å; T134-V139 WeakPolarHBondContact CG2-O 3.14Å; T134-V139 PolarHBondContact OG1-O 3.3Å; T134-V139 VanDerWaalsContact OG1-O 3.05Å; S136-V139 PolarHBondContact O-N 3.3Å; S136-V139 VanDerWaalsContact O-N 3.08Å; S136-V139 WeakPolarHBondContact OG-CG2 3.39Å; V139-Y145 HydrophobicContact CG1-CE2 4.49Å
140L88.4Confident87.8Confident40 Ų4053 Ų5321%0.20929%0.294CS..  trans-74160.4171.6-50179.1000111Q20 V144 Y145Q20-L140 HydrophobicContact CG-CD2 4.11Å; L140-V144 HydrophobicContact CB-CB 4.35Å; L140-V144 HydrophobicContact CB-CG1 4.33Å; L140-V144 HydrophobicContact CD1-CG1 4.01Å; L140-Y145 HydrophobicContact CB-CD1 4.07Å; L140-Y145 HydrophobicContact CB-CD2 4.5Å; L140-Y145 HydrophobicContact CB-CE1 3.61Å; L140-Y145 HydrophobicContact CB-CE2 4.05Å; L140-Y145 HydrophobicContact CB-CG 4.5Å; L140-Y145 HydrophobicContact CD1-CD1 4.05Å; L140-Y145 HydrophobicContact CD1-CE1 3.69Å; L140-Y145 HydrophobicContact CG-CD1 4.46Å; L140-Y145 HydrophobicContact CG-CE1 3.77Å; L140-Y145 PolarHBondContact N-OH 3.2Å; L140-Y145 WeakPolarHBondContact O-CE2 3.37Å
141H90.8Very high88Confident14 Ų1447 Ų477%0.06526%0.264CS..  trans-59.3144169.5-84.8-85.5000112I99 L129 Y132 E143 V144 Y145I99-H141 HydrophobicContact CD1-CB 4.08Å; L129-H141 VanDerWaalsContact CD2-CD2 3.49Å; L129-H141 WeakPolarHBondContact CD2-CD2 3.5Å; Y132-H141 PolarHBondContact O-CE1 3.29Å; Y132-H141 PolarHBondContact O-NE2 3.32Å; H141-E143 IonicContact ND1-OE2 3.73Å; H141-E143 PolarHBondContact O-N 3.05Å; H141-V144 HydrophobicContact CB-CB 4.39Å; H141-V144 HydrophobicContact CB-CG2 3.98Å; H141-V144 WeakPolarHBondContact O-CB 3.39Å; H141-V144 PolarHBondContact O-N 3.49Å; H141-Y145 PolarHBondContact O-N 3.5Å
142P92Very high88.1Confident9 Ų942.3 Ų42.36%0.05824%0.243CC..Hα-helixtrans-58.5-33175.423-30.9000112.3V144 Y145 G146 A170 V173 Q174P142-V144 VanDerWaalsContact C-N 3.34Å; P142-V144 PolarHBondContact O-N 2.88Å; P142-Y145 PolarHBondContact O-N 3.12Å; P142-G146 PolarHBondContact O-N 3.21Å; P142-A170 HydrophobicContact CB-CB 4.45Å; P142-V173 HydrophobicContact CB-CB 4.32Å; P142-V173 HydrophobicContact CG-CB 4.46Å; P142-V173 HydrophobicContact CG-CG1 4.12Å; P142-Q174 HydrophobicContact CB-CG 4.05Å; P142-Q174 VanDerWaalsContact CG-CD 3.42Å; P142-Q174 HydrophobicContact CG-CG 3.92Å; P142-Q174 VanDerWaalsContact CG-NE2 3.3Å
143E92.7Very high88.3Confident10 Ų1039.4 Ų39.45%0.04723%0.232CC..Hα-helixtrans-61.8-40.5174.1-62.978-166.500112.5R96 R97 H141 G146 E147 Q174R96-E143 HydrophobicContact CB-CG 4.08Å; R96-E143 WeakPolarHBondContact O-CB 3.27Å; R97-E143 HydrophobicContact CG-CG 4.11Å; H141-E143 IonicContact ND1-OE2 3.73Å; H141-E143 PolarHBondContact O-N 3.05Å; E143-G146 PolarHBondContact O-N 3.36Å; E143-E147 WeakPolarHBondContact O-CB 3.36Å; E143-E147 PolarHBondContact O-N 3.27Å; E143-Q174 PolarHBondContact OE1-NE2 3.14Å; E143-Q174 VanDerWaalsContact OE1-NE2 3.08Å
144V94.1Very high88.5Confident3 Ų336.1 Ų36.12%0.01821%0.207CC..Hα-helixtrans-69.3-43.8176.4176.90000110.7Q20 W25 I99 V100 L140 H141 P142 G146 E147 K148Q20-V144 HydrophobicContact CB-CG1 3.68Å; Q20-V144 HydrophobicContact CB-CG2 4.42Å; Q20-V144 HydrophobicContact CG-CG1 3.83Å; W25-V144 HydrophobicContact CZ2-CG1 4.16Å; I99-V144 HydrophobicContact CB-CG2 4.13Å; I99-V144 HydrophobicContact CD1-CG2 4.26Å; I99-V144 HydrophobicContact CG2-CG2 3.8Å; V100-V144 HydrophobicContact CG2-CG1 4.38Å; V100-V144 HydrophobicContact CG2-CG2 4.17Å; L140-V144 HydrophobicContact CB-CB 4.35Å; L140-V144 HydrophobicContact CB-CG1 4.33Å; L140-V144 HydrophobicContact CD1-CG1 4.01Å; H141-V144 HydrophobicContact CB-CB 4.39Å; H141-V144 HydrophobicContact CB-CG2 3.98Å; H141-V144 WeakPolarHBondContact O-CB 3.39Å; H141-V144 PolarHBondContact O-N 3.49Å; P142-V144 VanDerWaalsContact C-N 3.34Å; P142-V144 PolarHBondContact O-N 2.88Å; V144-G146 VanDerWaalsContact C-N 3.31Å; V144-G146 PolarHBondContact O-N 3.38Å; V144-E147 PolarHBondContact O-N 3.07Å; V144-K148 VanDerWaalsContact O-CB 3.27Å; V144-K148 WeakPolarHBondContact O-CB 3.15Å; V144-K148 PolarHBondContact O-N 3.29Å
145Y95.3Very high88.7Confident2 Ų234.5 Ų34.51%0.00820%0.196CC..Hα-helixtrans-59-45.4175.3-72.3-43.9000111.6V139 L140 H141 P142 K148 A149 Y166 R169V139-Y145 HydrophobicContact CG1-CE2 4.49Å; L140-Y145 HydrophobicContact CB-CD1 4.07Å; L140-Y145 HydrophobicContact CB-CD2 4.5Å; L140-Y145 HydrophobicContact CB-CE1 3.61Å; L140-Y145 HydrophobicContact CB-CE2 4.05Å; L140-Y145 HydrophobicContact CB-CG 4.5Å; L140-Y145 HydrophobicContact CD1-CD1 4.05Å; L140-Y145 HydrophobicContact CD1-CE1 3.69Å; L140-Y145 HydrophobicContact CG-CD1 4.46Å; L140-Y145 HydrophobicContact CG-CE1 3.77Å; L140-Y145 PolarHBondContact N-OH 3.2Å; L140-Y145 WeakPolarHBondContact O-CE2 3.37Å; H141-Y145 PolarHBondContact O-N 3.5Å; P142-Y145 PolarHBondContact O-N 3.12Å; Y145-K148 PolarHBondContact O-N 2.94Å; Y145-A149 VanDerWaalsContact O-CB 3.31Å; Y145-A149 WeakPolarHBondContact O-CB 3.18Å; Y145-A149 PolarHBondContact O-N 3.5Å; Y145-Y166 AromaticContact CD1-CD1 3.64Å; Y145-Y166 HydrophobicContact CD1-CD1 3.64Å; Y145-Y166 HydrophobicContact CD1-CE1 4.17Å; Y145-Y166 HydrophobicContact CE1-CD1 4.23Å; Y145-Y166 HydrophobicContact CE1-CE1 4.39Å; Y145-R169 HydrophobicContact CD1-CB 4.28Å; Y145-R169 HydrophobicContact CD2-CB 3.94Å; Y145-R169 HydrophobicContact CE1-CB 4.33Å; Y145-R169 HydrophobicContact CE2-CB 4.03Å; Y145-R169 HydrophobicContact CG-CB 4.09Å; Y145-R169 PolarHBondContact OH-NH1 3.01Å; Y145-R169 PolarHBondContact OH-NH2 3.12Å
146G94.2Very high88.9Confident0 Ų029.8 Ų29.80%016%0.163CC..Hα-helixtrans-66.4-42.4-179.100000113.7P142 E143 V144 A149 W150 W180P142-G146 PolarHBondContact O-N 3.21Å; E143-G146 PolarHBondContact O-N 3.36Å; V144-G146 VanDerWaalsContact C-N 3.31Å; V144-G146 PolarHBondContact O-N 3.38Å; G146-A149 WeakPolarHBondContact O-CB 3.31Å; G146-A149 PolarHBondContact O-N 3.23Å; G146-W150 PolarHBondContact O-N 3.49Å; G146-W180 VanDerWaalsContact CA-CH2 3.47Å
147E94.4Very high89.2Confident7 Ų731 Ų313%0.03316%0.162CC..Hα-helixtrans-64.3-41.2174.5-176.5160.8175.900112.1H22 W25 L57 V100 E143 V144 A149 W150 T151H22-E147 IonicContact CE1-OE1 2.71Å; W25-E147 HydrophobicContact CH2-CB 4.22Å; W25-E147 HydrophobicContact CH2-CG 3.94Å; W25-E147 HydrophobicContact CZ3-CG 4.41Å; L57-E147 HydrophobicContact CD2-CB 4.11Å; L57-E147 VanDerWaalsContact CD2-CD 3.49Å; L57-E147 HydrophobicContact CD2-CG 3.68Å; V100-E147 VanDerWaalsContact CB-CD 3.45Å; V100-E147 HydrophobicContact CB-CG 4.41Å; V100-E147 VanDerWaalsContact CB-OE2 3.25Å; V100-E147 WeakPolarHBondContact CB-OE2 3.35Å; V100-E147 HydrophobicContact CG1-CG 4.28Å; V100-E147 WeakPolarHBondContact CG1-OE1 3.41Å; V100-E147 HydrophobicContact CG2-CB 4.27Å; V100-E147 HydrophobicContact CG2-CG 4.26Å; V100-E147 WeakPolarHBondContact CG2-OE2 3.31Å; E143-E147 WeakPolarHBondContact O-CB 3.36Å; E143-E147 PolarHBondContact O-N 3.27Å; V144-E147 PolarHBondContact O-N 3.07Å; E147-A149 VanDerWaalsContact C-N 3.32Å; E147-A149 PolarHBondContact O-N 3.17Å; E147-W150 PolarHBondContact O-N 3.26Å; E147-T151 WeakPolarHBondContact O-CB 3.41Å; E147-T151 PolarHBondContact O-N 2.75Å; E147-T151 PolarHBondContact O-OG1 3.46Å
148K94.8Very high89.8Confident23 Ų2328.2 Ų28.210%0.114%0.141CC..Hα-helixtrans-61.1-42.5173.8-167.3171.4-169.7-179.60111.6W25 V144 Y145 T151 Y152 Y166W25-K148 HydrophobicContact CD2-CB 4.35Å; W25-K148 HydrophobicContact CD2-CD 4.1Å; W25-K148 HydrophobicContact CD2-CG 3.88Å; W25-K148 HydrophobicContact CE3-CB 4.27Å; W25-K148 HydrophobicContact CE3-CG 3.99Å; W25-K148 HydrophobicContact CG-CD 4.27Å; W25-K148 HydrophobicContact CG-CG 4.42Å; W25-K148 HydrophobicContact CH2-CB 3.77Å; W25-K148 HydrophobicContact CH2-CG 4.35Å; W25-K148 HydrophobicContact CZ2-CB 3.85Å; W25-K148 HydrophobicContact CZ2-CD 4.46Å; W25-K148 HydrophobicContact CZ2-CG 4.25Å; W25-K148 HydrophobicContact CZ3-CB 4Å; W25-K148 HydrophobicContact CZ3-CG 4.23Å; V144-K148 VanDerWaalsContact O-CB 3.27Å; V144-K148 WeakPolarHBondContact O-CB 3.15Å; V144-K148 PolarHBondContact O-N 3.29Å; Y145-K148 PolarHBondContact O-N 2.94Å; K148-T151 WeakPolarHBondContact O-CB 3.36Å; K148-T151 PolarHBondContact O-N 2.96Å; K148-Y152 HydrophobicContact CD-CE2 4.02Å; K148-Y152 WeakPolarHBondContact CE-OH 3.38Å; K148-Y152 HydrophobicContact CG-CD2 3.99Å; K148-Y152 HydrophobicContact CG-CE2 3.48Å; K148-Y152 VanDerWaalsContact CG-CE2 3.48Å; K148-Y152 VanDerWaalsContact O-CD2 3.27Å; K148-Y152 WeakPolarHBondContact O-CD2 3.41Å; K148-Y152 PolarHBondContact O-N 3Å; K148-Y166 HydrophobicContact CD-CD1 4.18Å; K148-Y166 HydrophobicContact CD-CD2 4.26Å; K148-Y166 HydrophobicContact CD-CE1 3.81Å; K148-Y166 HydrophobicContact CD-CE2 3.99Å; K148-Y166 HydrophobicContact CD-CG 4.37Å; K148-Y166 HydrophobicContact CG-CD2 4.23Å; K148-Y166 HydrophobicContact CG-CE2 4.34Å; K148-Y166 HydrophobicContact CG-CG 4.45Å; K148-Y166 PolarHBondContact NZ-OH 3.43Å
149A95.7Very high90.4Very high0 Ų021.6 Ų21.60%011%0.109CC..Hα-helixtrans-63.4-45.5177.100000112.4Y145 G146 E147 T151 Y152 L153 A163 F167Y145-A149 VanDerWaalsContact O-CB 3.31Å; Y145-A149 WeakPolarHBondContact O-CB 3.18Å; Y145-A149 PolarHBondContact O-N 3.5Å; G146-A149 WeakPolarHBondContact O-CB 3.31Å; G146-A149 PolarHBondContact O-N 3.23Å; E147-A149 VanDerWaalsContact C-N 3.32Å; E147-A149 PolarHBondContact O-N 3.17Å; A149-T151 VanDerWaalsContact C-N 3.34Å; A149-T151 PolarHBondContact O-N 3.06Å; A149-Y152 PolarHBondContact O-N 3.29Å; A149-L153 VanDerWaalsContact O-CB 3.32Å; A149-L153 WeakPolarHBondContact O-CB 3.19Å; A149-L153 PolarHBondContact O-N 3.42Å; A149-A163 WeakPolarHBondContact CB-O 3.49Å; A149-A163 WeakPolarHBondContact O-CB 3.21Å; A149-F167 HydrophobicContact CB-CB 4.44Å; A149-F167 HydrophobicContact CB-CD1 3.54Å; A149-F167 HydrophobicContact CB-CD2 3.66Å; A149-F167 HydrophobicContact CB-CE1 3.49Å; A149-F167 VanDerWaalsContact CB-CE1 3.49Å; A149-F167 HydrophobicContact CB-CE2 3.6Å; A149-F167 HydrophobicContact CB-CG 3.6Å; A149-F167 HydrophobicContact CB-CZ 3.5Å
150W94.9Very high90.8Very high35 Ų3521.4 Ų21.413%0.13310%0.104CC..Hα-helixtrans-62.9-40.2176-80.8120.6000112.8L57 G146 E147 L153 K154 F167 E179 W180 I186L57-W150 HydrophobicContact CD1-CB 4.32Å; L57-W150 HydrophobicContact CD1-CG 4.08Å; G146-W150 PolarHBondContact O-N 3.49Å; E147-W150 PolarHBondContact O-N 3.26Å; W150-L153 HydrophobicContact CE3-CD2 3.8Å; W150-L153 HydrophobicContact CZ3-CD2 3.68Å; W150-L153 PolarHBondContact O-N 2.87Å; W150-K154 WeakPolarHBondContact O-CB 3.25Å; W150-K154 PolarHBondContact O-N 3.48Å; W150-F167 HydrophobicContact CD2-CE1 4.21Å; W150-F167 AromaticContact CD2-CZ 3.72Å; W150-F167 HydrophobicContact CD2-CZ 3.72Å; W150-F167 AromaticContact CE2-CE1 3.97Å; W150-F167 AromaticContact CE2-CZ 3.87Å; W150-F167 HydrophobicContact CE3-CZ 4.13Å; W150-F167 HydrophobicContact CG-CE1 4.22Å; W150-F167 AromaticContact CG-CZ 3.94Å; W150-F167 HydrophobicContact CG-CZ 3.94Å; W150-F167 HydrophobicContact CZ2-CZ 4.4Å; W150-F167 AromaticContact NE1-CE1 3.85Å; W150-E179 HydrophobicContact CZ2-CG 4.43Å; W150-E179 PolarHBondContact NE1-OE1 3.11Å; W150-W180 AromaticContact CD1-CZ3 3.85Å; W150-W180 AromaticContact NE1-CZ3 3.75Å; W150-I186 HydrophobicContact CH2-CD1 3.98Å; W150-I186 HydrophobicContact CZ3-CD1 4.34Å
151T93.9Very high90.9Very high5 Ų523.2 Ų23.23%0.03112%0.119CC..Hα-helixtrans-58.3-56175.7-64.50000110.2H22 W25 L27 L61 E147 K148 A149 L153 K154 L155H22-T151 PolarHBondContact NE2-OG1 2.88Å; W25-T151 HydrophobicContact CE3-CG2 4.36Å; W25-T151 HydrophobicContact CZ3-CG2 4.39Å; L27-T151 HydrophobicContact CD1-CG2 3.91Å; L27-T151 HydrophobicContact CD2-CG2 4.48Å; L61-T151 HydrophobicContact CD1-CG2 3.92Å; E147-T151 WeakPolarHBondContact O-CB 3.41Å; E147-T151 PolarHBondContact O-N 2.75Å; E147-T151 PolarHBondContact O-OG1 3.46Å; K148-T151 WeakPolarHBondContact O-CB 3.36Å; K148-T151 PolarHBondContact O-N 2.96Å; A149-T151 VanDerWaalsContact C-N 3.34Å; A149-T151 PolarHBondContact O-N 3.06Å; T151-L153 VanDerWaalsContact C-N 3.27Å; T151-L153 PolarHBondContact O-N 3.05Å; T151-K154 PolarHBondContact O-N 3.17Å; T151-L155 HydrophobicContact CG2-CD1 4.43Å; T151-L155 WeakPolarHBondContact O-CG 3.43Å; T151-L155 PolarHBondContact O-N 2.74Å; T151-L155 VanDerWaalsContact O-N 3.08Å
152Y92.6Very high90.9Very high18 Ų1826 Ų267%0.07113%0.132CC..Hα-helixtrans-57.6-38.3176.6-73.7-35000113.3W25 L27 K148 A149 K154 L155 Y159 E162 Y166W25-Y152 PolarHBondContact O-OH 3.06Å; L27-Y152 HydrophobicContact CD2-CD1 4.16Å; L27-Y152 HydrophobicContact CD2-CE1 3.5Å; K148-Y152 HydrophobicContact CD-CE2 4.02Å; K148-Y152 WeakPolarHBondContact CE-OH 3.38Å; K148-Y152 HydrophobicContact CG-CD2 3.99Å; K148-Y152 HydrophobicContact CG-CE2 3.48Å; K148-Y152 VanDerWaalsContact CG-CE2 3.48Å; K148-Y152 VanDerWaalsContact O-CD2 3.27Å; K148-Y152 WeakPolarHBondContact O-CD2 3.41Å; K148-Y152 PolarHBondContact O-N 3Å; A149-Y152 PolarHBondContact O-N 3.29Å; Y152-K154 VanDerWaalsContact C-N 3.28Å; Y152-K154 PolarHBondContact O-N 2.76Å; Y152-L155 HydrophobicContact CD1-CD1 4.35Å; Y152-Y159 AromaticContact CD1-CD1 3.29Å; Y152-Y159 HydrophobicContact CD1-CD1 3.29Å; Y152-Y159 HydrophobicContact CD1-CE1 4Å; Y152-Y159 AromaticContact CD1-CG 3.97Å; Y152-Y159 HydrophobicContact CD1-CG 3.97Å; Y152-Y159 AromaticContact CE1-CD1 3.59Å; Y152-Y159 HydrophobicContact CE1-CD1 3.59Å; Y152-Y159 AromaticContact CE1-CE1 3.89Å; Y152-Y159 HydrophobicContact CE1-CE1 3.89Å; Y152-Y159 HydrophobicContact CG-CD1 4.13Å; Y152-Y159 WeakPolarHBondContact O-CB 3.18Å; Y152-E162 HydrophobicContact CD2-CB 3.91Å; Y152-E162 HydrophobicContact CE2-CB 4.18Å; Y152-E162 HydrophobicContact CG-CB 4.41Å; Y152-Y166 AromaticContact CD2-CD2 3.77Å; Y152-Y166 HydrophobicContact CD2-CD2 3.77Å; Y152-Y166 AromaticContact CD2-CE2 3.98Å; Y152-Y166 HydrophobicContact CD2-CE2 3.98Å; Y152-Y166 AromaticContact CE2-CD2 3.67Å; Y152-Y166 HydrophobicContact CE2-CD2 3.67Å; Y152-Y166 AromaticContact CE2-CE2 3.41Å; Y152-Y166 HydrophobicContact CE2-CE2 3.41Å; Y152-Y166 VanDerWaalsContact CE2-CE2 3.41Å
153L92.4Very high91.1Very high2 Ų225.6 Ų25.61%0.0113%0.129CC..Hα-helixtrans-67.6-26176-173.462000113.3A149 W150 T151 Y160 A163 F167 I186 A187 R190A149-L153 VanDerWaalsContact O-CB 3.32Å; A149-L153 WeakPolarHBondContact O-CB 3.19Å; A149-L153 PolarHBondContact O-N 3.42Å; W150-L153 HydrophobicContact CE3-CD2 3.8Å; W150-L153 HydrophobicContact CZ3-CD2 3.68Å; W150-L153 PolarHBondContact O-N 2.87Å; T151-L153 VanDerWaalsContact C-N 3.27Å; T151-L153 PolarHBondContact O-N 3.05Å; L153-Y160 HydrophobicContact CD1-CD1 3.9Å; L153-Y160 HydrophobicContact CD1-CE1 3.95Å; L153-A163 HydrophobicContact CB-CB 4.06Å; L153-F167 HydrophobicContact CD2-CE2 4.12Å; L153-F167 HydrophobicContact CD2-CZ 4.45Å; L153-I186 HydrophobicContact CD2-CB 4.35Å; L153-I186 HydrophobicContact CD2-CG2 3.91Å; L153-A187 HydrophobicContact CD1-CB 4.02Å; L153-A187 HydrophobicContact CD2-CB 4.47Å; L153-R190 PolarHBondContact O-NH1 3.25Å
154K90.4Very high91.2Very high37 Ų3726.3 Ų26.316%0.16113%0.133CC..Hα-helixtrans-86-28.8179.5-114.472.4176.9-157.70113.5R40 L41 L61 W150 T151 Y152R40-K154 PolarHBondContact NH2-O 3.11Å; L41-K154 HydrophobicContact CD2-CG 4.34Å; L61-K154 HydrophobicContact CD2-CB 3.81Å; L61-K154 HydrophobicContact CD2-CG 4.43Å; W150-K154 WeakPolarHBondContact O-CB 3.25Å; W150-K154 PolarHBondContact O-N 3.48Å; T151-K154 PolarHBondContact O-N 3.17Å; Y152-K154 VanDerWaalsContact C-N 3.28Å; Y152-K154 PolarHBondContact O-N 2.76Å
155L86.8Confident91.3Very high17 Ų1730.5 Ų30.59%0.08915%0.151CC..Hα-helixtrans-65.7-82.9-178.7-69.7-175.8000112.2L27 M32 L37 T151 Y152 Y159L27-L155 HydrophobicContact CD2-CD1 3.87Å; M32-L155 HydrophobicContact CG-CD2 3.78Å; M32-L155 HydrophobicContact SD-CD2 4.06Å; L37-L155 HydrophobicContact CD2-CD2 3.56Å; T151-L155 HydrophobicContact CG2-CD1 4.43Å; T151-L155 WeakPolarHBondContact O-CG 3.43Å; T151-L155 PolarHBondContact O-N 2.74Å; T151-L155 VanDerWaalsContact O-N 3.08Å; Y152-L155 HydrophobicContact CD1-CD1 4.35Å; L155-Y159 HydrophobicContact CB-CD2 4.41Å
156S81.3Confident91.4Very high18 Ų1831.6 Ų31.613%0.12616%0.155CC..  trans-155.7165.7-174.468.10000112.1P158 Y159 Y160S156-P158 VanDerWaalsContact C-CD 3.46Å; S156-P158 WeakPolarHBondContact OG-CD 3.13Å; S156-Y159 PolarHBondContact O-N 3.39Å; S156-Y159 VanDerWaalsContact O-N 3.12Å; S156-Y159 VanDerWaalsContact OG-CD2 3.29Å; S156-Y159 WeakPolarHBondContact OG-CD2 3.3Å; S156-Y160 WeakPolarHBondContact O-CD1 3.36Å; S156-Y160 WeakPolarHBondContact O-CE1 3.38Å
157K81.9Confident91.5Very high75 Ų7531.6 Ų31.633%0.32616%0.155SC..G310 helixtrans-57.9-38.3-176-174.5178.8177.7-172.30114.1Y159 Y160 P378 D381K157-Y159 PolarHBondContact O-N 2.67Å; K157-Y159 VanDerWaalsContact O-N 3.15Å; K157-Y160 HydrophobicContact CB-CD2 4.27Å; K157-Y160 HydrophobicContact CB-CE2 3.96Å; K157-Y160 HydrophobicContact CG-CD2 3.82Å; K157-Y160 HydrophobicContact CG-CE2 3.77Å; K157-Y160 WeakPolarHBondContact O-CB 3.16Å; K157-Y160 PolarHBondContact O-N 3.44Å; K157-Y160 VanDerWaalsContact O-N 3.08Å; K157-P378 HydrophobicContact CD-CG 4.5Å; K157-D381 WeakPolarHBondContact CD-OD2 3.35Å; K157-D381 WeakPolarHBondContact CE-OD2 3.43Å; K157-D381 IonicContact NZ-OD1 3.47Å; K157-D381 PolarHBondContact NZ-OD1 3.47Å; K157-D381 IonicContact NZ-OD2 2.71Å; K157-D381 PolarHBondContact NZ-OD2 3.01Å
158P83.1Confident91.6Very high70 Ų7035 Ų3546%0.45517%0.171SC..G310 helixtrans-55.4-27174.7-29.636.9000114.8S156 P161S156-P158 VanDerWaalsContact C-CD 3.46Å; S156-P158 WeakPolarHBondContact OG-CD 3.13Å; P158-P161 WeakPolarHBondContact O-CD 3.39Å
159Y87.3Confident91.7Very high30 Ų3037.5 Ų37.512%0.11818%0.18CC..G310 helixtrans-87.9-3.8-179.4-69.2-90.7000113.7D31 Y152 L155 S156 K157 E162 A163D31-Y159 HydrophobicContact CB-CE2 3.76Å; D31-Y159 WeakPolarHBondContact OD2-CE2 3.34Å; D31-Y159 PolarHBondContact OD2-OH 3.45Å; Y152-Y159 AromaticContact CD1-CD1 3.29Å; Y152-Y159 HydrophobicContact CD1-CD1 3.29Å; Y152-Y159 HydrophobicContact CD1-CE1 4Å; Y152-Y159 AromaticContact CD1-CG 3.97Å; Y152-Y159 HydrophobicContact CD1-CG 3.97Å; Y152-Y159 AromaticContact CE1-CD1 3.59Å; Y152-Y159 HydrophobicContact CE1-CD1 3.59Å; Y152-Y159 AromaticContact CE1-CE1 3.89Å; Y152-Y159 HydrophobicContact CE1-CE1 3.89Å; Y152-Y159 HydrophobicContact CG-CD1 4.13Å; Y152-Y159 WeakPolarHBondContact O-CB 3.18Å; L155-Y159 HydrophobicContact CB-CD2 4.41Å; S156-Y159 PolarHBondContact O-N 3.39Å; S156-Y159 VanDerWaalsContact O-N 3.12Å; S156-Y159 VanDerWaalsContact OG-CD2 3.29Å; S156-Y159 WeakPolarHBondContact OG-CD2 3.3Å; K157-Y159 PolarHBondContact O-N 2.67Å; K157-Y159 VanDerWaalsContact O-N 3.15Å; Y159-E162 PolarHBondContact O-N 3.1Å; Y159-A163 PolarHBondContact O-N 3.16Å
160Y89.8Confident91.6Very high35 Ų3537.5 Ų37.514%0.13718%0.18CC..Hα-helixtrans-61.9-37.5-180-64-9.3000114.4L153 S156 K157 A163 I164 R190 T191L153-Y160 HydrophobicContact CD1-CD1 3.9Å; L153-Y160 HydrophobicContact CD1-CE1 3.95Å; S156-Y160 WeakPolarHBondContact O-CD1 3.36Å; S156-Y160 WeakPolarHBondContact O-CE1 3.38Å; K157-Y160 HydrophobicContact CB-CD2 4.27Å; K157-Y160 HydrophobicContact CB-CE2 3.96Å; K157-Y160 HydrophobicContact CG-CD2 3.82Å; K157-Y160 HydrophobicContact CG-CE2 3.77Å; K157-Y160 WeakPolarHBondContact O-CB 3.16Å; K157-Y160 PolarHBondContact O-N 3.44Å; K157-Y160 VanDerWaalsContact O-N 3.08Å; Y160-A163 WeakPolarHBondContact O-CB 3.31Å; Y160-A163 PolarHBondContact O-N 3.3Å; Y160-I164 WeakPolarHBondContact O-CG1 3.41Å; Y160-I164 PolarHBondContact O-N 3Å; Y160-R190 HydrophobicContact CD2-CB 4.1Å; Y160-R190 HydrophobicContact CE2-CB 3.8Å; Y160-T191 HydrophobicContact CD2-CG2 3.81Å; Y160-T191 HydrophobicContact CG-CG2 4.07Å
161P90.4Very high91.7Very high78 Ų7836.8 Ų36.851%0.50618%0.178SC..Hα-helixtrans-61.5-41.6173.8-24.236000112.8P158 I164 K165P158-P161 WeakPolarHBondContact O-CD 3.39Å; P161-I164 PolarHBondContact O-N 3.06Å; P161-K165 PolarHBondContact O-N 3.37Å
162E91.9Very high91.7Very high73 Ų7343 Ų4334%0.34121%0.207SC..Hα-helixtrans-66-42174.6-70.8-59.3133.300110.9Y152 Y159 I164 K165 Y166Y152-E162 HydrophobicContact CD2-CB 3.91Å; Y152-E162 HydrophobicContact CE2-CB 4.18Å; Y152-E162 HydrophobicContact CG-CB 4.41Å; Y159-E162 PolarHBondContact O-N 3.1Å; E162-I164 VanDerWaalsContact C-N 3.31Å; E162-I164 PolarHBondContact O-N 2.99Å; E162-K165 WeakPolarHBondContact O-CB 3.33Å; E162-K165 PolarHBondContact O-N 3.05Å; E162-K165 IonicContact OE2-NZ 3.96Å; E162-Y166 HydrophobicContact CB-CD2 4.36Å; E162-Y166 HydrophobicContact CB-CE2 4.23Å; E162-Y166 WeakPolarHBondContact O-CD2 3.07Å; E162-Y166 PolarHBondContact O-N 3.48Å; E162-Y166 WeakPolarHBondContact OE2-CE2 3.3Å
163A95.1Very high91.6Very high0 Ų046.2 Ų46.20%023%0.228CC..Hα-helixtrans-56-45.8174.400000112A149 L153 Y159 Y160 Y166 F167A149-A163 WeakPolarHBondContact CB-O 3.49Å; A149-A163 WeakPolarHBondContact O-CB 3.21Å; L153-A163 HydrophobicContact CB-CB 4.06Å; Y159-A163 PolarHBondContact O-N 3.16Å; Y160-A163 WeakPolarHBondContact O-CB 3.31Å; Y160-A163 PolarHBondContact O-N 3.3Å; A163-Y166 PolarHBondContact O-N 3.22Å; A163-F167 HydrophobicContact CB-CE2 4.44Å; A163-F167 WeakPolarHBondContact O-CD2 3.3Å; A163-F167 PolarHBondContact O-N 3.4Å
164I95.9Very high91.6Very high25 Ų2548.2 Ų48.213%0.12824%0.237CC..Hα-helixtrans-57.5-50.6175.4-76165.3000111Y160 P161 E162 Y166 F167 Q168 Y184 A187 L188 T191Y160-I164 WeakPolarHBondContact O-CG1 3.41Å; Y160-I164 PolarHBondContact O-N 3Å; P161-I164 PolarHBondContact O-N 3.06Å; E162-I164 VanDerWaalsContact C-N 3.31Å; E162-I164 PolarHBondContact O-N 2.99Å; I164-Y166 VanDerWaalsContact C-N 3.33Å; I164-Y166 PolarHBondContact O-N 2.91Å; I164-F167 PolarHBondContact O-N 3.15Å; I164-Q168 HydrophobicContact CG2-CG 4.49Å; I164-Q168 WeakPolarHBondContact O-CG 3.32Å; I164-Q168 PolarHBondContact O-N 3.28Å; I164-Y184 HydrophobicContact CG2-CD2 4.47Å; I164-Y184 HydrophobicContact CG2-CE2 3.82Å; I164-A187 HydrophobicContact CD1-CB 4.49Å; I164-A187 HydrophobicContact CG1-CB 3.66Å; I164-L188 HydrophobicContact CD1-CD2 4.11Å; I164-L188 HydrophobicContact CG1-CD2 4.42Å; I164-T191 HydrophobicContact CD1-CG2 3.79Å; I164-T191 WeakPolarHBondContact CD1-OG1 3.36Å
165K96Very high91.7Very high90 Ų9053.6 Ų53.639%0.39126%0.261SS..Hα-helixtrans-57.4-45179.8175.3-173.8171.5-169.80111.8P161 E162 Q168 R169P161-K165 PolarHBondContact O-N 3.37Å; E162-K165 WeakPolarHBondContact O-CB 3.33Å; E162-K165 PolarHBondContact O-N 3.05Å; E162-K165 IonicContact OE2-NZ 3.96Å; K165-Q168 WeakPolarHBondContact O-CB 3.45Å; K165-Q168 PolarHBondContact O-N 3.31Å; K165-R169 WeakPolarHBondContact O-CG 3.13Å; K165-R169 PolarHBondContact O-N 3.12Å
166Y96.3Very high92.1Very high26 Ų2657.7 Ų57.710%0.10228%0.283CS..Hα-helixtrans-72.3-35.6-179.5-73.1-66000113Y145 K148 Y152 E162 A163 I164 Q168 R169 A170Y145-Y166 AromaticContact CD1-CD1 3.64Å; Y145-Y166 HydrophobicContact CD1-CD1 3.64Å; Y145-Y166 HydrophobicContact CD1-CE1 4.17Å; Y145-Y166 HydrophobicContact CE1-CD1 4.23Å; Y145-Y166 HydrophobicContact CE1-CE1 4.39Å; K148-Y166 HydrophobicContact CD-CD1 4.18Å; K148-Y166 HydrophobicContact CD-CD2 4.26Å; K148-Y166 HydrophobicContact CD-CE1 3.81Å; K148-Y166 HydrophobicContact CD-CE2 3.99Å; K148-Y166 HydrophobicContact CD-CG 4.37Å; K148-Y166 HydrophobicContact CG-CD2 4.23Å; K148-Y166 HydrophobicContact CG-CE2 4.34Å; K148-Y166 HydrophobicContact CG-CG 4.45Å; K148-Y166 PolarHBondContact NZ-OH 3.43Å; Y152-Y166 AromaticContact CD2-CD2 3.77Å; Y152-Y166 HydrophobicContact CD2-CD2 3.77Å; Y152-Y166 AromaticContact CD2-CE2 3.98Å; Y152-Y166 HydrophobicContact CD2-CE2 3.98Å; Y152-Y166 AromaticContact CE2-CD2 3.67Å; Y152-Y166 HydrophobicContact CE2-CD2 3.67Å; Y152-Y166 AromaticContact CE2-CE2 3.41Å; Y152-Y166 HydrophobicContact CE2-CE2 3.41Å; Y152-Y166 VanDerWaalsContact CE2-CE2 3.41Å; E162-Y166 HydrophobicContact CB-CD2 4.36Å; E162-Y166 HydrophobicContact CB-CE2 4.23Å; E162-Y166 WeakPolarHBondContact O-CD2 3.07Å; E162-Y166 PolarHBondContact O-N 3.48Å; E162-Y166 WeakPolarHBondContact OE2-CE2 3.3Å; A163-Y166 PolarHBondContact O-N 3.22Å; I164-Y166 VanDerWaalsContact C-N 3.33Å; I164-Y166 PolarHBondContact O-N 2.91Å; Y166-Q168 VanDerWaalsContact C-N 3.32Å; Y166-Q168 PolarHBondContact O-N 3.33Å; Y166-R169 PolarHBondContact O-N 3.4Å; Y166-A170 PolarHBondContact O-N 3.22Å
167F97.4Very high92.7Very high0 Ų058.4 Ų58.40%029%0.285CS..Hα-helixtrans-62-40.9169.8-75.2-54.9000112A149 W150 L153 A163 I164 R169 A170 L171 W180 G183 Y184 A187A149-F167 HydrophobicContact CB-CB 4.44Å; A149-F167 HydrophobicContact CB-CD1 3.54Å; A149-F167 HydrophobicContact CB-CD2 3.66Å; A149-F167 HydrophobicContact CB-CE1 3.49Å; A149-F167 VanDerWaalsContact CB-CE1 3.49Å; A149-F167 HydrophobicContact CB-CE2 3.6Å; A149-F167 HydrophobicContact CB-CG 3.6Å; A149-F167 HydrophobicContact CB-CZ 3.5Å; W150-F167 HydrophobicContact CD2-CE1 4.21Å; W150-F167 AromaticContact CD2-CZ 3.72Å; W150-F167 HydrophobicContact CD2-CZ 3.72Å; W150-F167 AromaticContact CE2-CE1 3.97Å; W150-F167 AromaticContact CE2-CZ 3.87Å; W150-F167 HydrophobicContact CE3-CZ 4.13Å; W150-F167 HydrophobicContact CG-CE1 4.22Å; W150-F167 AromaticContact CG-CZ 3.94Å; W150-F167 HydrophobicContact CG-CZ 3.94Å; W150-F167 HydrophobicContact CZ2-CZ 4.4Å; W150-F167 AromaticContact NE1-CE1 3.85Å; L153-F167 HydrophobicContact CD2-CE2 4.12Å; L153-F167 HydrophobicContact CD2-CZ 4.45Å; A163-F167 HydrophobicContact CB-CE2 4.44Å; A163-F167 WeakPolarHBondContact O-CD2 3.3Å; A163-F167 PolarHBondContact O-N 3.4Å; I164-F167 PolarHBondContact O-N 3.15Å; F167-R169 PolarHBondContact O-N 3.21Å; F167-A170 PolarHBondContact O-N 2.99Å; F167-L171 WeakPolarHBondContact O-CB 3.32Å; F167-L171 VanDerWaalsContact O-CG 3.27Å; F167-L171 WeakPolarHBondContact O-CG 3.34Å; F167-L171 PolarHBondContact O-N 3.48Å; F167-W180 HydrophobicContact CD1-CE3 4.37Å; F167-W180 HydrophobicContact CE1-CE3 4.2Å; F167-G183 WeakPolarHBondContact CE2-O 3.38Å; F167-G183 VanDerWaalsContact CZ-CA 3.46Å; F167-Y184 HydrophobicContact CB-CD2 4.21Å; F167-Y184 HydrophobicContact CB-CG 4.2Å; F167-A187 HydrophobicContact CD2-CB 4.22Å; F167-A187 HydrophobicContact CE2-CB 4.29Å
168Q96.3Very high93.2Very high77 Ų7756.7 Ų56.736%0.3628%0.283SS..Hα-helixtrans-59.6-46.5175.2-73.2171.3-24.500111.5I164 K165 Y166 A170 L171 E172 Y184I164-Q168 HydrophobicContact CG2-CG 4.49Å; I164-Q168 WeakPolarHBondContact O-CG 3.32Å; I164-Q168 PolarHBondContact O-N 3.28Å; K165-Q168 WeakPolarHBondContact O-CB 3.45Å; K165-Q168 PolarHBondContact O-N 3.31Å; Y166-Q168 VanDerWaalsContact C-N 3.32Å; Y166-Q168 PolarHBondContact O-N 3.33Å; Q168-A170 VanDerWaalsContact C-N 3.33Å; Q168-A170 PolarHBondContact O-N 3.43Å; Q168-L171 CarbonylContact O-C 3.56Å; Q168-L171 PolarHBondContact O-N 2.87Å; Q168-L171 VanDerWaalsContact O-N 3.11Å; Q168-E172 WeakPolarHBondContact O-CG 3.14Å; Q168-E172 PolarHBondContact O-N 3.37Å; Q168-Y184 HydrophobicContact CG-CD2 4.47Å; Q168-Y184 HydrophobicContact CG-CE1 4.34Å; Q168-Y184 HydrophobicContact CG-CE2 3.84Å; Q168-Y184 PolarHBondContact NE2-OH 3.32Å
169R95.6Very high93.7Very high77 Ų7754 Ų5429%0.29126%0.264SS..Hα-helixtrans-62.5-36.7176.3-67.1-172.782.2-174.55.6113.2Y145 K165 Y166 F167 L171Y145-R169 HydrophobicContact CD1-CB 4.28Å; Y145-R169 HydrophobicContact CD2-CB 3.94Å; Y145-R169 HydrophobicContact CE1-CB 4.33Å; Y145-R169 HydrophobicContact CE2-CB 4.03Å; Y145-R169 HydrophobicContact CG-CB 4.09Å; Y145-R169 PolarHBondContact OH-NH1 3.01Å; Y145-R169 PolarHBondContact OH-NH2 3.12Å; K165-R169 WeakPolarHBondContact O-CG 3.13Å; K165-R169 PolarHBondContact O-N 3.12Å; Y166-R169 PolarHBondContact O-N 3.4Å; F167-R169 PolarHBondContact O-N 3.21Å; R169-L171 VanDerWaalsContact C-N 3.34Å
170A94.8Very high94.1Very high0 Ų052.7 Ų52.70%026%0.259CS..Hα-helixtrans-63.5-42.2173.400000111.2P142 Y166 F167 Q168 V173 Q174 W180P142-A170 HydrophobicContact CB-CB 4.45Å; Y166-A170 PolarHBondContact O-N 3.22Å; F167-A170 PolarHBondContact O-N 2.99Å; Q168-A170 VanDerWaalsContact C-N 3.33Å; Q168-A170 PolarHBondContact O-N 3.43Å; A170-V173 PolarHBondContact O-N 3.45Å; A170-Q174 PolarHBondContact O-N 3.37Å; A170-W180 HydrophobicContact CB-CB 4.36Å; A170-W180 HydrophobicContact CB-CD2 4.17Å; A170-W180 HydrophobicContact CB-CG 3.82Å
171L95.8Very high94.4Very high19 Ų1951.2 Ų51.210%0.09925%0.254CS..Hα-helixtrans-73.6-24-179.9-69.5171.7000114.1F167 Q168 R169 V173 Q174 K175 W180 N181 Y184F167-L171 WeakPolarHBondContact O-CB 3.32Å; F167-L171 VanDerWaalsContact O-CG 3.27Å; F167-L171 WeakPolarHBondContact O-CG 3.34Å; F167-L171 PolarHBondContact O-N 3.48Å; Q168-L171 CarbonylContact O-C 3.56Å; Q168-L171 PolarHBondContact O-N 2.87Å; Q168-L171 VanDerWaalsContact O-N 3.11Å; R169-L171 VanDerWaalsContact C-N 3.34Å; L171-V173 PolarHBondContact O-N 2.91Å; L171-Q174 WeakPolarHBondContact CD2-O 3.43Å; L171-Q174 CarbonylContact O-C 3.52Å; L171-K175 VanDerWaalsContact O-CA 3.28Å; L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 WeakPolarHBondContact O-CG 3.4Å; L171-K175 PolarHBondContact O-N 2.99Å; L171-W180 HydrophobicContact CD2-CB 3.55Å; L171-W180 HydrophobicContact CG-CB 3.85Å; L171-N181 VanDerWaalsContact CD2-ND2 3.27Å; L171-N181 WeakPolarHBondContact CD2-ND2 3.1Å; L171-Y184 HydrophobicContact CD1-CD1 3.55Å; L171-Y184 HydrophobicContact CD1-CE1 4.38Å; L171-Y184 HydrophobicContact CD1-CG 4.07Å
172E93.9Very high94.6Very high137 Ų13747.7 Ų47.764%0.6423%0.231SC*.Hα-helixtrans-58.6-34.7170.3-76.2166.7-173.200111.3Q168Q168-E172 WeakPolarHBondContact O-CG 3.14Å; Q168-E172 PolarHBondContact O-N 3.37Å
173V90.6Very high94.8Very high85 Ų8544.2 Ų44.252%0.51522%0.215SC..Hα-helixtrans-91.6-47.3179.2-1740000111.4P142 A170 L171P142-V173 HydrophobicContact CB-CB 4.32Å; P142-V173 HydrophobicContact CG-CB 4.46Å; P142-V173 HydrophobicContact CG-CG1 4.12Å; A170-V173 PolarHBondContact O-N 3.45Å; L171-V173 PolarHBondContact O-N 2.91Å
174Q92.2Very high94.9Very high43 Ų4346 Ų4620%0.20122%0.222CC..  trans-118.875.8-176.5-69.4175.9-15.500111P142 E143 A170 L171 D176 D177P142-Q174 HydrophobicContact CB-CG 4.05Å; P142-Q174 VanDerWaalsContact CG-CD 3.42Å; P142-Q174 HydrophobicContact CG-CG 3.92Å; P142-Q174 VanDerWaalsContact CG-NE2 3.3Å; E143-Q174 PolarHBondContact OE1-NE2 3.14Å; E143-Q174 VanDerWaalsContact OE1-NE2 3.08Å; A170-Q174 PolarHBondContact O-N 3.37Å; L171-Q174 WeakPolarHBondContact CD2-O 3.43Å; L171-Q174 CarbonylContact O-C 3.52Å; Q174-D176 VanDerWaalsContact C-N 3.26Å; Q174-D176 PolarHBondContact O-N 2.92Å; Q174-D177 HydrophobicContact CB-CB 3.91Å; Q174-D177 PolarHBondContact O-N 3.29Å
175K94.3Very high94.9Very high151 Ų15144.9 Ų44.966%0.65722%0.216SC*.THydrogen-bonded Turntrans-56.8-36.2-172.4-66.6178.8-1791780114.5L171 N181L171-K175 VanDerWaalsContact O-CA 3.28Å; L171-K175 WeakPolarHBondContact O-CA 3.42Å; L171-K175 WeakPolarHBondContact O-CG 3.4Å; L171-K175 PolarHBondContact O-N 2.99Å; K175-N181 PolarHBondContact O-ND2 2.83Å
176D94.6Very high94.9Very high102 Ų10241.6 Ų41.655%0.54520%0.202SC..THydrogen-bonded Turntrans-106.913.2-172.4-61.4-16.2000112.7Q174 S178 R213 L217Q174-D176 VanDerWaalsContact C-N 3.26Å; Q174-D176 PolarHBondContact O-N 2.92Å; D176-S178 PolarHBondContact O-N 3.38Å; D176-R213 IonicContact OD1-CZ 3.83Å; D176-R213 IonicContact OD1-NH2 3.74Å; D176-R213 PolarHBondContact OD1-NH2 3.27Å; D176-R213 IonicContact OD2-NH2 3.83Å; D176-L217 HydrophobicContact CB-CD2 4.35Å
177D93.6Very high94.9Very high34 Ų3440.3 Ų40.318%0.18220%0.197CC..  trans-67120.5172.7-177.2-73.3000109.6R97 Q174 E179 W180 N181R97-D177 IonicContact NH2-OD2 3.52Å; R97-D177 PolarHBondContact NH2-OD2 3.28Å; Q174-D177 HydrophobicContact CB-CB 3.91Å; Q174-D177 PolarHBondContact O-N 3.29Å; D177-E179 VanDerWaalsContact C-N 3.29Å; D177-E179 PolarHBondContact O-N 3Å; D177-E179 WeakPolarHBondContact OD1-CA 3.31Å; D177-E179 VanDerWaalsContact OD1-CB 3.26Å; D177-E179 WeakPolarHBondContact OD1-CB 3.45Å; D177-E179 PolarHBondContact OD1-N 3.4Å; D177-W180 HydrophobicContact CB-CB 4.44Å; D177-W180 VanDerWaalsContact CB-CD1 3.43Å; D177-W180 HydrophobicContact CB-CG 4.08Å; D177-W180 VanDerWaalsContact CG-CD1 3.47Å; D177-W180 PolarHBondContact OD1-N 3.18Å; D177-N181 WeakPolarHBondContact O-CB 3.44Å; D177-N181 PolarHBondContact O-N 3.22Å; D177-N181 VanDerWaalsContact O-N 3.11Å; D177-N181 PolarHBondContact O-ND2 2.88Å
178S93.2Very high94.7Very high39 Ų3941.2 Ų41.227%0.27320%0.202SC..Hα-helixtrans-69.7-27.6-172.663.90000112.4R51 D176 A182R51-S178 PolarHBondContact NH1-O 2.93Å; R51-S178 PolarHBondContact NH1-OG 3.02Å; R51-S178 PolarHBondContact NH2-O 3.07Å; D176-S178 PolarHBondContact O-N 3.38Å; S178-A182 VanDerWaalsContact O-CB 3.31Å; S178-A182 WeakPolarHBondContact O-CB 3.48Å; S178-A182 PolarHBondContact O-N 3.35Å; S178-A182 VanDerWaalsContact O-N 3.11Å
179E92.5Very high94.6Very high13 Ų1338.4 Ų38.46%0.06119%0.189CC..Hα-helixtrans-75.6-44.1180-169.9-177.8164.300111.4L57 Y90 R97 W150 D177 A182 G183L57-E179 WeakPolarHBondContact CD1-OE1 3.4Å; Y90-E179 PolarHBondContact OH-OE2 3.2Å; R97-E179 IonicContact CZ-OE2 2.74Å; R97-E179 IonicContact NH1-OE1 3.83Å; R97-E179 IonicContact NH1-OE2 2.62Å; R97-E179 PolarHBondContact NH1-OE2 3.16Å; R97-E179 IonicContact NH2-OE2 3.21Å; W150-E179 HydrophobicContact CZ2-CG 4.43Å; W150-E179 PolarHBondContact NE1-OE1 3.11Å; D177-E179 VanDerWaalsContact C-N 3.29Å; D177-E179 PolarHBondContact O-N 3Å; D177-E179 WeakPolarHBondContact OD1-CA 3.31Å; D177-E179 VanDerWaalsContact OD1-CB 3.26Å; D177-E179 WeakPolarHBondContact OD1-CB 3.45Å; D177-E179 PolarHBondContact OD1-N 3.4Å; E179-A182 PolarHBondContact O-N 2.85Å; E179-G183 PolarHBondContact O-N 3.25Å
180W95Very high94.3Very high2 Ų237.8 Ų37.81%0.00819%0.186CC..Hα-helixtrans-67-40.7176.2-51.4147.2000111.7R97 G146 W150 F167 A170 L171 D177 A182 G183 Y184R97-W180 VanDerWaalsContact CZ-CZ2 3.47Å; G146-W180 VanDerWaalsContact CA-CH2 3.47Å; W150-W180 AromaticContact CD1-CZ3 3.85Å; W150-W180 AromaticContact NE1-CZ3 3.75Å; F167-W180 HydrophobicContact CD1-CE3 4.37Å; F167-W180 HydrophobicContact CE1-CE3 4.2Å; A170-W180 HydrophobicContact CB-CB 4.36Å; A170-W180 HydrophobicContact CB-CD2 4.17Å; A170-W180 HydrophobicContact CB-CG 3.82Å; L171-W180 HydrophobicContact CD2-CB 3.55Å; L171-W180 HydrophobicContact CG-CB 3.85Å; D177-W180 HydrophobicContact CB-CB 4.44Å; D177-W180 VanDerWaalsContact CB-CD1 3.43Å; D177-W180 HydrophobicContact CB-CG 4.08Å; D177-W180 VanDerWaalsContact CG-CD1 3.47Å; D177-W180 PolarHBondContact OD1-N 3.18Å; W180-A182 VanDerWaalsContact C-N 3.32Å; W180-A182 PolarHBondContact O-N 3.08Å; W180-G183 PolarHBondContact O-N 3.49Å; W180-Y184 VanDerWaalsContact O-CB 3.23Å; W180-Y184 WeakPolarHBondContact O-CB 3.3Å; W180-Y184 PolarHBondContact O-N 3.32Å
181N96.7Very high93.9Very high5 Ų540 Ų403%0.02720%0.2CC..Hα-helixtrans-61.7-41.4175.1-83.2-79.7000111.4L171 K175 D177 A185 Q210 R213 A214 L217L171-N181 VanDerWaalsContact CD2-ND2 3.27Å; L171-N181 WeakPolarHBondContact CD2-ND2 3.1Å; K175-N181 PolarHBondContact O-ND2 2.83Å; D177-N181 WeakPolarHBondContact O-CB 3.44Å; D177-N181 PolarHBondContact O-N 3.22Å; D177-N181 VanDerWaalsContact O-N 3.11Å; D177-N181 PolarHBondContact O-ND2 2.88Å; N181-A185 VanDerWaalsContact O-CB 3.29Å; N181-A185 WeakPolarHBondContact O-CB 3.41Å; N181-A185 PolarHBondContact O-N 3.37Å; N181-Q210 PolarHBondContact O-NE2 3.49Å; N181-Q210 PolarHBondContact OD1-NE2 2.65Å; N181-R213 WeakPolarHBondContact OD1-CG 3.45Å; N181-A214 HydrophobicContact CB-CB 4.2Å; N181-L217 HydrophobicContact CB-CD1 3.87Å; N181-L217 WeakPolarHBondContact ND2-CD1 3.35Å
182A96Very high93.3Very high4 Ų441.9 Ų41.93%0.03321%0.208CC..Hα-helixtrans-65.5-47.3175.900000112.5S178 E179 W180 Y184 A185 I186 L224S178-A182 VanDerWaalsContact O-CB 3.31Å; S178-A182 WeakPolarHBondContact O-CB 3.48Å; S178-A182 PolarHBondContact O-N 3.35Å; S178-A182 VanDerWaalsContact O-N 3.11Å; E179-A182 PolarHBondContact O-N 2.85Å; W180-A182 VanDerWaalsContact C-N 3.32Å; W180-A182 PolarHBondContact O-N 3.08Å; A182-Y184 PolarHBondContact O-N 3.12Å; A182-A185 PolarHBondContact O-N 3.45Å; A182-I186 VanDerWaalsContact O-CG1 3.28Å; A182-I186 WeakPolarHBondContact O-CG1 3.34Å; A182-I186 PolarHBondContact O-N 2.93Å; A182-L224 HydrophobicContact CB-CD1 3.85Å
183G95.4Very high92Very high0 Ų040.3 Ų40.30%021%0.208CC..Hα-helixtrans-60.7-44.1177.400000112.5F167 E179 W180 I186 A187F167-G183 WeakPolarHBondContact CE2-O 3.38Å; F167-G183 VanDerWaalsContact CZ-CA 3.46Å; E179-G183 PolarHBondContact O-N 3.25Å; W180-G183 PolarHBondContact O-N 3.49Å; G183-I186 PolarHBondContact O-N 3.17Å; G183-A187 WeakPolarHBondContact O-CB 3.34Å; G183-A187 PolarHBondContact O-N 2.67Å
184Y97.1Very high90.5Very high38 Ų3840.7 Ų40.715%0.14920%0.203CC..Hα-helixtrans-62.3-46.2176.3-172.1-149.6000111.9I164 F167 Q168 L171 W180 A182 I186 A187 L188 Q210I164-Y184 HydrophobicContact CG2-CD2 4.47Å; I164-Y184 HydrophobicContact CG2-CE2 3.82Å; F167-Y184 HydrophobicContact CB-CD2 4.21Å; F167-Y184 HydrophobicContact CB-CG 4.2Å; Q168-Y184 HydrophobicContact CG-CD2 4.47Å; Q168-Y184 HydrophobicContact CG-CE1 4.34Å; Q168-Y184 HydrophobicContact CG-CE2 3.84Å; Q168-Y184 PolarHBondContact NE2-OH 3.32Å; L171-Y184 HydrophobicContact CD1-CD1 3.55Å; L171-Y184 HydrophobicContact CD1-CE1 4.38Å; L171-Y184 HydrophobicContact CD1-CG 4.07Å; W180-Y184 VanDerWaalsContact O-CB 3.23Å; W180-Y184 WeakPolarHBondContact O-CB 3.3Å; W180-Y184 PolarHBondContact O-N 3.32Å; A182-Y184 PolarHBondContact O-N 3.12Å; Y184-I186 VanDerWaalsContact C-N 3.32Å; Y184-I186 PolarHBondContact O-N 2.94Å; Y184-A187 PolarHBondContact O-N 3.12Å; Y184-L188 HydrophobicContact CD1-CD1 4.4Å; Y184-L188 HydrophobicContact CD2-CD1 4.04Å; Y184-L188 HydrophobicContact CD2-CG 3.88Å; Y184-L188 HydrophobicContact CE1-CD1 4.01Å; Y184-L188 HydrophobicContact CE2-CD1 3.6Å; Y184-L188 HydrophobicContact CE2-CD2 3.76Å; Y184-L188 HydrophobicContact CE2-CG 3.54Å; Y184-L188 HydrophobicContact CG-CD1 4.4Å; Y184-L188 WeakPolarHBondContact O-CG 3.31Å; Y184-L188 PolarHBondContact O-N 2.86Å; Y184-Q210 HydrophobicContact CD1-CG 3.48Å; Y184-Q210 VanDerWaalsContact CD1-CG 3.48Å; Y184-Q210 HydrophobicContact CE1-CG 3.98Å; Y184-Q210 HydrophobicContact CG-CG 4Å
185A96.5Very high88.7Confident0 Ų040.2 Ų40.20%020%0.203CC..Hα-helixtrans-58.1-43.9176.600000112N181 A182 F189 Q210 L211 A214N181-A185 VanDerWaalsContact O-CB 3.29Å; N181-A185 WeakPolarHBondContact O-CB 3.41Å; N181-A185 PolarHBondContact O-N 3.37Å; A182-A185 PolarHBondContact O-N 3.45Å; A185-F189 WeakPolarHBondContact O-CB 3.31Å; A185-F189 PolarHBondContact O-N 3.26Å; A185-Q210 HydrophobicContact CB-CB 4.32Å; A185-Q210 HydrophobicContact CB-CG 3.89Å; A185-L211 HydrophobicContact CB-CD2 3.8Å; A185-L211 HydrophobicContact CB-CG 3.99Å; A185-A214 HydrophobicContact CB-CB 4.16Å
186I95.7Very high86.3Confident21 Ų2136.5 Ų36.511%0.10819%0.194CC..Hα-helixtrans-66.3-42.1178.3-67.4168.8000111.1W150 L153 A182 G183 Y184 F189 R190 L224 M227W150-I186 HydrophobicContact CH2-CD1 3.98Å; W150-I186 HydrophobicContact CZ3-CD1 4.34Å; L153-I186 HydrophobicContact CD2-CB 4.35Å; L153-I186 HydrophobicContact CD2-CG2 3.91Å; A182-I186 VanDerWaalsContact O-CG1 3.28Å; A182-I186 WeakPolarHBondContact O-CG1 3.34Å; A182-I186 PolarHBondContact O-N 2.93Å; G183-I186 PolarHBondContact O-N 3.17Å; Y184-I186 VanDerWaalsContact C-N 3.32Å; Y184-I186 PolarHBondContact O-N 2.94Å; I186-F189 PolarHBondContact O-N 3.45Å; I186-R190 WeakPolarHBondContact O-CG 3.38Å; I186-R190 PolarHBondContact O-N 3.3Å; I186-R190 VanDerWaalsContact O-N 3.12Å; I186-L224 HydrophobicContact CD1-CD2 3.96Å; I186-L224 HydrophobicContact CG1-CD2 3.67Å; I186-M227 HydrophobicContact CB-CE 4.19Å; I186-M227 HydrophobicContact CG1-CE 3.99Å; I186-M227 HydrophobicContact CG1-SD 3.94Å; I186-M227 HydrophobicContact CG2-CE 4.1Å
187A95.4Very high83.9Confident0 Ų034.9 Ų34.90%018%0.184CC..Hα-helixtrans-63.2-47.8179.100000110.9L153 I164 F167 G183 Y184 F189 R190 T191L153-A187 HydrophobicContact CD1-CB 4.02Å; L153-A187 HydrophobicContact CD2-CB 4.47Å; I164-A187 HydrophobicContact CD1-CB 4.49Å; I164-A187 HydrophobicContact CG1-CB 3.66Å; F167-A187 HydrophobicContact CD2-CB 4.22Å; F167-A187 HydrophobicContact CE2-CB 4.29Å; G183-A187 WeakPolarHBondContact O-CB 3.34Å; G183-A187 PolarHBondContact O-N 2.67Å; Y184-A187 PolarHBondContact O-N 3.12Å; A187-F189 PolarHBondContact O-N 3.1Å; A187-R190 PolarHBondContact O-N 2.9Å; A187-T191 WeakPolarHBondContact O-CG2 3.44Å; A187-T191 PolarHBondContact O-N 3.44Å; A187-T191 VanDerWaalsContact O-N 3.13Å; A187-T191 PolarHBondContact O-OG1 3.48Å; A187-T191 VanDerWaalsContact O-OG1 3.11Å
188L94.3Very high81.5Confident19 Ų1935.1 Ų35.110%0.09919%0.191CC..Hα-helixtrans-59.5-45.3174.4-72.1177.5000112.2I164 Y184 R190 T191 E192 A206 A207 Q210I164-L188 HydrophobicContact CD1-CD2 4.11Å; I164-L188 HydrophobicContact CG1-CD2 4.42Å; Y184-L188 HydrophobicContact CD1-CD1 4.4Å; Y184-L188 HydrophobicContact CD2-CD1 4.04Å; Y184-L188 HydrophobicContact CD2-CG 3.88Å; Y184-L188 HydrophobicContact CE1-CD1 4.01Å; Y184-L188 HydrophobicContact CE2-CD1 3.6Å; Y184-L188 HydrophobicContact CE2-CD2 3.76Å; Y184-L188 HydrophobicContact CE2-CG 3.54Å; Y184-L188 HydrophobicContact CG-CD1 4.4Å; Y184-L188 WeakPolarHBondContact O-CG 3.31Å; Y184-L188 PolarHBondContact O-N 2.86Å; L188-R190 PolarHBondContact O-N 3.42Å; L188-T191 PolarHBondContact O-N 3.27Å; L188-T191 PolarHBondContact O-OG1 3.38Å; L188-E192 WeakPolarHBondContact O-CB 3.49Å; L188-E192 PolarHBondContact O-N 3.17Å; L188-A206 HydrophobicContact CD1-CB 4.36Å; L188-A207 HydrophobicContact CB-CB 3.99Å; L188-Q210 HydrophobicContact CD1-CB 3.7Å; L188-Q210 HydrophobicContact CD1-CG 4Å
189F92.9Very high79.3Confident17 Ų1736.3 Ų36.38%0.07520%0.199CC..Hα-helixtrans-58-37.4177.9173.1-83.9000112.5A185 I186 A187 A207 L211 M227 V230 K231 Y261A185-F189 WeakPolarHBondContact O-CB 3.31Å; A185-F189 PolarHBondContact O-N 3.26Å; I186-F189 PolarHBondContact O-N 3.45Å; A187-F189 PolarHBondContact O-N 3.1Å; F189-A207 HydrophobicContact CB-CB 4.28Å; F189-L211 HydrophobicContact CD2-CD1 4.23Å; F189-M227 HydrophobicContact CB-CE 3.49Å; F189-M227 VanDerWaalsContact CB-CE 3.49Å; F189-M227 HydrophobicContact CD1-CE 3.13Å; F189-M227 HydrophobicContact CD2-CB 3.96Å; F189-M227 HydrophobicContact CD2-CE 3.99Å; F189-M227 HydrophobicContact CE1-CE 3.75Å; F189-M227 HydrophobicContact CE1-CG 4.42Å; F189-M227 HydrophobicContact CE2-CB 3.93Å; F189-M227 HydrophobicContact CE2-CG 4.39Å; F189-M227 VanDerWaalsContact CE2-O 3.28Å; F189-M227 WeakPolarHBondContact CE2-O 3.38Å; F189-M227 HydrophobicContact CG-CB 4.41Å; F189-M227 HydrophobicContact CG-CE 3.26Å; F189-M227 HydrophobicContact CZ-CB 4.33Å; F189-M227 HydrophobicContact CZ-CE 4.39Å; F189-M227 HydrophobicContact CZ-CG 4.31Å; F189-V230 HydrophobicContact CE2-CB 4.18Å; F189-V230 HydrophobicContact CE2-CG1 4.13Å; F189-V230 HydrophobicContact CZ-CB 4.31Å; F189-V230 HydrophobicContact CZ-CG1 4.05Å; F189-K231 HydrophobicContact CD2-CD 4.21Å; F189-K231 VanDerWaalsContact CD2-CE 3.47Å; F189-K231 HydrophobicContact CD2-CG 3.71Å; F189-K231 HydrophobicContact CE2-CD 4.41Å; F189-K231 HydrophobicContact CE2-CG 3.83Å; F189-Y261 HydrophobicContact CE1-CD1 4.4Å; F189-Y261 AromaticContact CE1-CE1 3.9Å; F189-Y261 HydrophobicContact CE1-CE1 3.9Å; F189-Y261 HydrophobicContact CZ-CD1 4.36Å; F189-Y261 HydrophobicContact CZ-CE1 4.32Å
190R89.5Confident76.9Confident64 Ų6443.8 Ų43.824%0.24223%0.234CC..Hα-helixtrans-78.6-25.2-177.9-72.3179.1-176.2-1807113.7L153 Y160 I186 A187 L188L153-R190 PolarHBondContact O-NH1 3.25Å; Y160-R190 HydrophobicContact CD2-CB 4.1Å; Y160-R190 HydrophobicContact CE2-CB 3.8Å; I186-R190 WeakPolarHBondContact O-CG 3.38Å; I186-R190 PolarHBondContact O-N 3.3Å; I186-R190 VanDerWaalsContact O-N 3.12Å; A187-R190 PolarHBondContact O-N 2.9Å; L188-R190 PolarHBondContact O-N 3.42Å
191T86.4Confident74.3Confident48 Ų4853.2 Ų53.229%0.29428%0.275SS..Hα-helixtrans-97.4-31.5-178.7540000113.1Y160 I164 A187 L188 T193Y160-T191 HydrophobicContact CD2-CG2 3.81Å; Y160-T191 HydrophobicContact CG-CG2 4.07Å; I164-T191 HydrophobicContact CD1-CG2 3.79Å; I164-T191 WeakPolarHBondContact CD1-OG1 3.36Å; A187-T191 WeakPolarHBondContact O-CG2 3.44Å; A187-T191 PolarHBondContact O-N 3.44Å; A187-T191 VanDerWaalsContact O-N 3.13Å; A187-T191 PolarHBondContact O-OG1 3.48Å; A187-T191 VanDerWaalsContact O-OG1 3.11Å; L188-T191 PolarHBondContact O-N 3.27Å; L188-T191 PolarHBondContact O-OG1 3.38Å; T191-T193 PolarHBondContact O-N 3.48Å
192E83.7Confident71.8Confident57 Ų5756 Ų5627%0.26630%0.299SS..  trans-66.5107.4-178.2-172-175.8-133.100109.9L188 S205 A206 A207 K231L188-E192 WeakPolarHBondContact O-CB 3.49Å; L188-E192 PolarHBondContact O-N 3.17Å; E192-S205 VanDerWaalsContact OE1-CA 3.22Å; E192-S205 WeakPolarHBondContact OE1-CA 2.99Å; E192-S205 WeakPolarHBondContact OE1-CB 3.36Å; E192-S205 PolarHBondContact OE1-OG 3.13Å; E192-S205 PolarHBondContact OE2-OG 3.45Å; E192-A206 PolarHBondContact OE1-N 3Å; E192-A206 VanDerWaalsContact OE1-N 3.07Å; E192-A207 WeakPolarHBondContact OE2-CB 3.47Å; E192-K231 PolarHBondContact O-NZ 3.2Å; E192-K231 WeakPolarHBondContact OE2-CE 3.41Å; E192-K231 IonicContact OE2-NZ 3.77Å; E192-K231 PolarHBondContact OE2-NZ 3.27Å
193T65.6Low69.5Low104 Ų10465.2 Ų65.264%0.63834%0.343SS*.  trans-70.2129.617649.60000109T191T191-T193 PolarHBondContact O-N 3.48Å
194F60.2Low68.1Low93 Ų9368 Ų6841%0.40837%0.372SS..  trans-96.9114.4175.4-178.3-96.5000108.9P196 V234F194-P196 HydrophobicContact CE1-CG 4.15Å; F194-V234 HydrophobicContact CD1-CG1 3.39Å; F194-V234 HydrophobicContact CD2-CG1 3.29Å; F194-V234 HydrophobicContact CE1-CG1 3.14Å; F194-V234 HydrophobicContact CE2-CB 4.42Å; F194-V234 HydrophobicContact CE2-CG1 3.05Å; F194-V234 HydrophobicContact CG-CG1 3.47Å; F194-V234 VanDerWaalsContact CG-CG1 3.47Å; F194-V234 HydrophobicContact CZ-CB 4.39Å; F194-V234 HydrophobicContact CZ-CG1 2.97Å
195T53.6Low67.4Low33 Ų3366.9 Ų66.920%0.20237%0.37CS..  trans-113136.1161.864.30000108.4E197 A198 S199 W418T195-E197 PolarHBondContact O-N 2.98Å; T195-E197 VanDerWaalsContact O-N 3.08Å; T195-A198 PolarHBondContact O-N 2.88Å; T195-A198 WeakPolarHBondContact OG1-CB 3.49Å; T195-A198 PolarHBondContact OG1-N 3.43Å; T195-S199 PolarHBondContact O-N 2.85Å; T195-W418 HydrophobicContact CG2-CB 3.7Å
196P43.8Very low67.1Low73 Ų7369.4 Ų69.447%0.47439%0.39SS..THydrogen-bonded Turntrans-52.1-33.3177.5-26.733.8000112.7F194 S199F194-P196 HydrophobicContact CE1-CG 4.15Å; P196-S199 PolarHBondContact O-N 3.38Å; P196-S199 PolarHBondContact O-OG 3.12Å
197E44.5Very low67Low68 Ų6868.4 Ų68.432%0.31839%0.385SS..THydrogen-bonded Turntrans-78.1-27.4-179.8-63.1149.1-159.300113.1T195 S199 K421T195-E197 PolarHBondContact O-N 2.98Å; T195-E197 VanDerWaalsContact O-N 3.08Å; E197-S199 VanDerWaalsContact C-N 3.29Å; E197-K421 WeakPolarHBondContact OE2-CD 3.34Å; E197-K421 IonicContact OE2-NZ 2.71Å; E197-K421 PolarHBondContact OE2-NZ 2.98Å
198A44.3Very low66.9Low40 Ų4068.9 Ų68.933%0.33139%0.388SS..Hα-helixtrans-71.3-26.2172.200000112T195 E200 K201 A202T195-A198 PolarHBondContact O-N 2.88Å; T195-A198 WeakPolarHBondContact OG1-CB 3.49Å; T195-A198 PolarHBondContact OG1-N 3.43Å; A198-E200 PolarHBondContact O-N 3.42Å; A198-K201 PolarHBondContact O-N 3.34Å; A198-A202 VanDerWaalsContact O-CB 3.23Å; A198-A202 WeakPolarHBondContact O-CB 3.43Å; A198-A202 PolarHBondContact O-N 3.34Å
199S46.3Very low66.9Low64 Ų6472.3 Ų72.345%0.44841%0.41SS..Hα-helixtrans-65.7-24176.880.70000113.5T195 P196 E197T195-S199 PolarHBondContact O-N 2.85Å; P196-S199 PolarHBondContact O-N 3.38Å; P196-S199 PolarHBondContact O-OG 3.12Å; E197-S199 VanDerWaalsContact C-N 3.29Å
200E42Very low67.1Low170 Ų17072.7 Ų72.779%0.79441%0.412SS*.Hα-helixtrans-90.4-21.8179.2-73.5-179.917200113.4A198A198-E200 PolarHBondContact O-N 3.42Å
201K40.9Very low67.4Low200 Ų20069.7 Ų69.787%0.8740%0.401SS*.Hα-helixtrans-111.7-20.4-176-95-176.1175.9-178.60115.4A198A198-K201 PolarHBondContact O-N 3.34Å
202A44.5Very low67.9Low63 Ų6371.3 Ų71.352%0.52140%0.401SS..SBendtrans-90.3119.5-17900000110.8A198 G204A198-A202 VanDerWaalsContact O-CB 3.23Å; A198-A202 WeakPolarHBondContact O-CB 3.43Å; A198-A202 PolarHBondContact O-N 3.34Å; A202-G204 PolarHBondContact O-N 2.87Å
203M47Very low68.6Low198 Ų19872.3 Ų72.398%0.97540%0.403SS*.SBendtrans-57.699.6162.8-80.8-168.9-75.800109.5
204G65Low70.1Confident58 Ų5867.3 Ų67.360%0.59837%0.372SS*.SBendtrans68.6133167.800000116.2A202 A206A202-G204 PolarHBondContact O-N 2.87Å; G204-A206 PolarHBondContact O-N 2.91Å
205S84Confident71.8Confident15 Ų1563.8 Ų63.811%0.10536%0.357CS..  trans-70122.6166.8160.30000109.9E192 A207 V208 T209E192-S205 VanDerWaalsContact OE1-CA 3.22Å; E192-S205 WeakPolarHBondContact OE1-CA 2.99Å; E192-S205 WeakPolarHBondContact OE1-CB 3.36Å; E192-S205 PolarHBondContact OE1-OG 3.13Å; E192-S205 PolarHBondContact OE2-OG 3.45Å; S205-A207 PolarHBondContact O-N 3.08Å; S205-A207 PolarHBondContact OG-N 3.18Å; S205-V208 PolarHBondContact O-N 2.98Å; S205-V208 VanDerWaalsContact O-N 3.09Å; S205-V208 WeakPolarHBondContact OG-CG2 3.43Å; S205-V208 PolarHBondContact OG-N 3.45Å; S205-T209 PolarHBondContact O-N 3.08Å; S205-T209 PolarHBondContact O-OG1 3.43Å
206A89.7Confident73.9Confident52 Ų5268.1 Ų68.143%0.4338%0.375SS..Hα-helixtrans-61.2-35.4176.400000110.9L188 E192 G204 Q210L188-A206 HydrophobicContact CD1-CB 4.36Å; E192-A206 PolarHBondContact OE1-N 3Å; E192-A206 VanDerWaalsContact OE1-N 3.07Å; G204-A206 PolarHBondContact O-N 2.91Å; A206-Q210 WeakPolarHBondContact O-CB 3.35Å; A206-Q210 PolarHBondContact O-N 2.74Å
207A92.3Very high76.4Confident0 Ų067.1 Ų67.10%037%0.366CS..Hα-helixtrans-65.2-42.117400000111.7L188 F189 E192 S205 Q210 L211L188-A207 HydrophobicContact CB-CB 3.99Å; F189-A207 HydrophobicContact CB-CB 4.28Å; E192-A207 WeakPolarHBondContact OE2-CB 3.47Å; S205-A207 PolarHBondContact O-N 3.08Å; S205-A207 PolarHBondContact OG-N 3.18Å; A207-Q210 PolarHBondContact O-N 3.19Å; A207-L211 WeakPolarHBondContact O-CB 3.38Å; A207-L211 WeakPolarHBondContact O-CD1 3.37Å; A207-L211 WeakPolarHBondContact O-CG 3.32Å; A207-L211 PolarHBondContact O-N 3.35Å
208V93.8Very high78.7Confident10 Ų1064.9 Ų64.96%0.06136%0.358CS..Hα-helixtrans-61.4-48.6176.81680000110.9S205 Q210 L211 R212 L228 K231 L232S205-V208 PolarHBondContact O-N 2.98Å; S205-V208 VanDerWaalsContact O-N 3.09Å; S205-V208 WeakPolarHBondContact OG-CG2 3.43Å; S205-V208 PolarHBondContact OG-N 3.45Å; V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 2.76Å; V208-L211 PolarHBondContact O-N 2.88Å; V208-R212 WeakPolarHBondContact O-CG 3.41Å; V208-R212 PolarHBondContact O-N 3.12Å; V208-L228 HydrophobicContact CB-CD1 4.36Å; V208-L228 HydrophobicContact CG1-CD1 3.97Å; V208-L228 HydrophobicContact CG2-CD1 4.23Å; V208-K231 HydrophobicContact CG2-CB 3.57Å; V208-K231 HydrophobicContact CG2-CG 4.18Å; V208-L232 HydrophobicContact CG1-CD2 4.36Å
209T94.6Very high81.2Confident91 Ų9166.8 Ų66.856%0.55837%0.366SS*.Hα-helixtrans-57.7-48.3178.1-58.40000111S205 R212 R213S205-T209 PolarHBondContact O-N 3.08Å; S205-T209 PolarHBondContact O-OG1 3.43Å; T209-R212 PolarHBondContact O-N 2.99Å; T209-R213 PolarHBondContact O-N 2.72Å
210Q96.7Very high83.4Confident26 Ų2670 Ų7012%0.12138%0.379CS..Hα-helixtrans-71.5-34.1-178.1-168.157.437.500112.9N181 Y184 A185 L188 A206 A207 V208 R213 A214N181-Q210 PolarHBondContact O-NE2 3.49Å; N181-Q210 PolarHBondContact OD1-NE2 2.65Å; Y184-Q210 HydrophobicContact CD1-CG 3.48Å; Y184-Q210 VanDerWaalsContact CD1-CG 3.48Å; Y184-Q210 HydrophobicContact CE1-CG 3.98Å; Y184-Q210 HydrophobicContact CG-CG 4Å; A185-Q210 HydrophobicContact CB-CB 4.32Å; A185-Q210 HydrophobicContact CB-CG 3.89Å; L188-Q210 HydrophobicContact CD1-CB 3.7Å; L188-Q210 HydrophobicContact CD1-CG 4Å; A206-Q210 WeakPolarHBondContact O-CB 3.35Å; A206-Q210 PolarHBondContact O-N 2.74Å; A207-Q210 PolarHBondContact O-N 3.19Å; V208-Q210 VanDerWaalsContact C-N 3.33Å; V208-Q210 PolarHBondContact O-N 2.76Å; Q210-R213 PolarHBondContact O-N 3.46Å; Q210-A214 WeakPolarHBondContact O-CB 3.49Å; Q210-A214 PolarHBondContact O-N 2.91Å
211L97.2Very high85.9Confident0 Ų063.6 Ų63.60%035%0.35CS..Hα-helixtrans-63.6-42.2173.1-79.2164.4000111.1A185 F189 A207 V208 A214 L215 L224 M227 L228 K231A185-L211 HydrophobicContact CB-CD2 3.8Å; A185-L211 HydrophobicContact CB-CG 3.99Å; F189-L211 HydrophobicContact CD2-CD1 4.23Å; A207-L211 WeakPolarHBondContact O-CB 3.38Å; A207-L211 WeakPolarHBondContact O-CD1 3.37Å; A207-L211 WeakPolarHBondContact O-CG 3.32Å; A207-L211 PolarHBondContact O-N 3.35Å; V208-L211 PolarHBondContact O-N 2.88Å; L211-A214 PolarHBondContact O-N 2.77Å; L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.47Å; L211-L215 PolarHBondContact O-N 3.36Å; L211-L224 HydrophobicContact CD2-CB 4.3Å; L211-L224 HydrophobicContact CD2-CD2 3.93Å; L211-M227 HydrophobicContact CD1-CB 4.32Å; L211-M227 HydrophobicContact CD2-CB 4.11Å; L211-L228 HydrophobicContact CB-CB 4.27Å; L211-L228 HydrophobicContact CB-CD1 4.12Å; L211-L228 HydrophobicContact CD1-CB 4.26Å; L211-L228 HydrophobicContact CD1-CD1 4.42Å; L211-K231 HydrophobicContact CD1-CG 4.47Å
212R97.1Very high88.5Confident83 Ų8354.2 Ų54.231%0.31331%0.31SS..Hα-helixtrans-60.9-46.9173.8-71.7-179.2-174-73.61111.1V208 T209 A214 L215 E216 L228 E240V208-R212 WeakPolarHBondContact O-CG 3.41Å; V208-R212 PolarHBondContact O-N 3.12Å; T209-R212 PolarHBondContact O-N 2.99Å; R212-A214 VanDerWaalsContact C-N 3.34Å; R212-A214 PolarHBondContact O-N 2.67Å; R212-L215 CarbonylContact O-C 3.58Å; R212-L215 PolarHBondContact O-N 2.95Å; R212-L215 VanDerWaalsContact O-N 3.14Å; R212-E216 WeakPolarHBondContact O-CG 3.49Å; R212-E216 PolarHBondContact O-N 3.05Å; R212-L228 HydrophobicContact CG-CD1 4.42Å; R212-L228 HydrophobicContact CG-CD2 4.07Å; R212-E240 IonicContact CZ-OE1 2.63Å; R212-E240 IonicContact CZ-OE2 3.83Å; R212-E240 IonicContact NH1-OE1 2.74Å; R212-E240 PolarHBondContact NH1-OE1 3Å; R212-E240 IonicContact NH2-OE1 3.8Å; R212-E240 PolarHBondContact NH2-OE1 3.21Å; R212-E240 IonicContact NH2-OE2 2.83Å; R212-E240 PolarHBondContact NH2-OE2 3.34Å
213R97.1Very high91Very high77 Ų7752.1 Ų52.129%0.29129%0.291SS..Hα-helixtrans-59-44.2176.3-178.555.3179.5168.40.2112.5D176 N181 T209 Q210 L215 E216 L217D176-R213 IonicContact OD1-CZ 3.83Å; D176-R213 IonicContact OD1-NH2 3.74Å; D176-R213 PolarHBondContact OD1-NH2 3.27Å; D176-R213 IonicContact OD2-NH2 3.83Å; N181-R213 WeakPolarHBondContact OD1-CG 3.45Å; T209-R213 PolarHBondContact O-N 2.72Å; Q210-R213 PolarHBondContact O-N 3.46Å; R213-L215 VanDerWaalsContact C-N 3.3Å; R213-L215 PolarHBondContact O-N 2.79Å; R213-E216 WeakPolarHBondContact CD-OE2 3.44Å; R213-E216 IonicContact CZ-OE2 3.61Å; R213-E216 IonicContact NH1-OE2 3.85Å; R213-E216 PolarHBondContact NH1-OE2 3.2Å; R213-E216 WeakPolarHBondContact O-CB 3.23Å; R213-E216 PolarHBondContact O-N 2.99Å; R213-L217 PolarHBondContact O-N 3.04Å
214A96.8Very high93.4Very high0 Ų042.7 Ų42.70%024%0.244CC..Hα-helixtrans-64.9-34.7177.800000112.5N181 A185 Q210 L211 R212 L217 S218 L224N181-A214 HydrophobicContact CB-CB 4.2Å; A185-A214 HydrophobicContact CB-CB 4.16Å; Q210-A214 WeakPolarHBondContact O-CB 3.49Å; Q210-A214 PolarHBondContact O-N 2.91Å; L211-A214 PolarHBondContact O-N 2.77Å; R212-A214 VanDerWaalsContact C-N 3.34Å; R212-A214 PolarHBondContact O-N 2.67Å; A214-L217 PolarHBondContact O-N 2.88Å; A214-S218 PolarHBondContact O-N 3.45Å; A214-L224 HydrophobicContact CB-CD1 3.75Å
215L97.1Very high94.9Very high18 Ų1840.2 Ų40.29%0.09422%0.217CC..Hα-helixtrans-76.5-26.9176.6-73.2167000113.3L211 R212 R213 L217 S218 P219 L224 L225 L228L211-L215 WeakPolarHBondContact O-CB 3.39Å; L211-L215 VanDerWaalsContact O-CG 3.28Å; L211-L215 WeakPolarHBondContact O-CG 3.47Å; L211-L215 PolarHBondContact O-N 3.36Å; R212-L215 CarbonylContact O-C 3.58Å; R212-L215 PolarHBondContact O-N 2.95Å; R212-L215 VanDerWaalsContact O-N 3.14Å; R213-L215 VanDerWaalsContact C-N 3.3Å; R213-L215 PolarHBondContact O-N 2.79Å; L215-L217 VanDerWaalsContact C-N 3.26Å; L215-L217 PolarHBondContact O-N 2.72Å; L215-S218 CarbonylContact O-C 3.57Å; L215-S218 VanDerWaalsContact O-C 3.22Å; L215-S218 PolarHBondContact O-N 2.71Å; L215-P219 WeakPolarHBondContact O-CA 3.49Å; L215-L224 HydrophobicContact CD2-CB 3.75Å; L215-L224 HydrophobicContact CG-CB 4.08Å; L215-L225 HydrophobicContact CD1-CD2 4.03Å; L215-L225 HydrophobicContact CD2-CD2 3.69Å; L215-L225 HydrophobicContact CD2-CG 3.71Å; L215-L225 HydrophobicContact CG-CD2 4.48Å; L215-L228 HydrophobicContact CD1-CB 4.21Å; L215-L228 HydrophobicContact CD1-CD2 3.61Å
216E97.3Very high95.6Very high125 Ų12539.5 Ų39.558%0.58421%0.212SC*.Hα-helixtrans-60.9-39.7168.1-72.1166.9-172.700111.2R212 R213R212-E216 WeakPolarHBondContact O-CG 3.49Å; R212-E216 PolarHBondContact O-N 3.05Å; R213-E216 WeakPolarHBondContact CD-OE2 3.44Å; R213-E216 IonicContact CZ-OE2 3.61Å; R213-E216 IonicContact NH1-OE2 3.85Å; R213-E216 PolarHBondContact NH1-OE2 3.2Å; R213-E216 WeakPolarHBondContact O-CB 3.23Å; R213-E216 PolarHBondContact O-N 2.99Å
217L96.3Very high95.9Very high51 Ų5137 Ų3727%0.26719%0.192SC..Hα-helixtrans-81.5-20.4178.9-60.9170.9000112.8D176 N181 R213 A214 L215D176-L217 HydrophobicContact CB-CD2 4.35Å; N181-L217 HydrophobicContact CB-CD1 3.87Å; N181-L217 WeakPolarHBondContact ND2-CD1 3.35Å; R213-L217 PolarHBondContact O-N 3.04Å; A214-L217 PolarHBondContact O-N 2.88Å; L215-L217 VanDerWaalsContact C-N 3.26Å; L215-L217 PolarHBondContact O-N 2.72Å
218S93.6Very high96.1Very high22 Ų2237.2 Ų37.215%0.15419%0.193CC..  trans-150.379.1-178.4-60.40000111.1R51 A214 L215 D220 D221R51-S218 VanDerWaalsContact CZ-OG 3.28Å; R51-S218 PolarHBondContact NH1-OG 3.41Å; R51-S218 PolarHBondContact NH2-OG 2.68Å; A214-S218 PolarHBondContact O-N 3.45Å; L215-S218 CarbonylContact O-C 3.57Å; L215-S218 VanDerWaalsContact O-C 3.22Å; L215-S218 PolarHBondContact O-N 2.71Å; S218-D220 VanDerWaalsContact C-N 3.26Å; S218-D220 PolarHBondContact O-N 3.36Å; S218-D221 PolarHBondContact O-N 3.07Å
219P95.1Very high96.2Very high79 Ų7936.7 Ų36.751%0.51319%0.19SC..THydrogen-bonded Turntrans-62.5-29.3-170-25.935.7000114.9L215L215-P219 WeakPolarHBondContact O-CA 3.49Å
220D93.4Very high96.2Very high132 Ų13232.6 Ų32.671%0.70617%0.165SC*.THydrogen-bonded Turntrans-100.917.3-173.4-59.6-40.8000113.2S218 G222 A251S218-D220 VanDerWaalsContact C-N 3.26Å; S218-D220 PolarHBondContact O-N 3.36Å; D220-G222 PolarHBondContact O-N 2.92Å; D220-A251 HydrophobicContact CB-CB 4.36Å; D220-A251 WeakPolarHBondContact O-CB 3.47Å
221D95.1Very high95.9Very high35 Ų3532.2 Ų32.219%0.18716%0.163CC..  trans-74.793.3173.6-167.3-44.2000110.5R51 S218 V223 L224 L225R51-D221 IonicContact NE-OD2 3.85Å; S218-D221 PolarHBondContact O-N 3.07Å; D221-V223 PolarHBondContact O-N 2.84Å; D221-V223 VanDerWaalsContact O-N 3.11Å; D221-V223 PolarHBondContact OD1-N 3.47Å; D221-V223 VanDerWaalsContact OD1-N 3.11Å; D221-L224 HydrophobicContact CB-CB 4.11Å; D221-L224 HydrophobicContact CB-CD1 3.95Å; D221-L224 HydrophobicContact CB-CG 4.03Å; D221-L224 PolarHBondContact O-N 3.4Å; D221-L224 VanDerWaalsContact O-N 3.08Å; D221-L224 PolarHBondContact OD1-N 3.31Å; D221-L224 VanDerWaalsContact OD1-N 3.12Å; D221-L225 WeakPolarHBondContact O-CG 3.42Å; D221-L225 PolarHBondContact O-N 3.3Å
222G95.6Very high95.6Very high4 Ų432.2 Ų32.24%0.04116%0.163CC..Hα-helixtrans-56.4-27.8-178.100000114.5D220 S226D220-G222 PolarHBondContact O-N 2.92Å; G222-S226 WeakPolarHBondContact O-CB 3.3Å; G222-S226 PolarHBondContact O-N 3.31Å; G222-S226 VanDerWaalsContact O-N 3.12Å; G222-S226 PolarHBondContact O-OG 2.8Å
223V95.9Very high95.3Very high18 Ų1828.5 Ų28.511%0.10915%0.15CC..Hα-helixtrans-73.1-48.3176.3-178.90000109.7D221 L225 S226 M227 H257 A258 Y261D221-V223 PolarHBondContact O-N 2.84Å; D221-V223 VanDerWaalsContact O-N 3.11Å; D221-V223 PolarHBondContact OD1-N 3.47Å; D221-V223 VanDerWaalsContact OD1-N 3.11Å; V223-L225 PolarHBondContact O-N 2.95Å; V223-S226 PolarHBondContact O-N 3.38Å; V223-S226 PolarHBondContact O-OG 2.9Å; V223-M227 HydrophobicContact CG1-SD 3.92Å; V223-M227 VanDerWaalsContact O-CG 3.29Å; V223-M227 WeakPolarHBondContact O-CG 3.49Å; V223-M227 PolarHBondContact O-N 2.84Å; V223-H257 HydrophobicContact CG1-CB 4.47Å; V223-H257 HydrophobicContact CG2-CB 3.84Å; V223-A258 HydrophobicContact CG2-CB 4.47Å; V223-Y261 HydrophobicContact CG1-CD2 4.36Å; V223-Y261 HydrophobicContact CG1-CE2 4.22Å
224L97.1Very high94.7Very high0 Ų026.4 Ų26.40%015%0.146CC..Hα-helixtrans-64.4-40.7177.8-61-178.5000112.2A182 I186 L211 A214 L215 D221 S226 M227 L228A182-L224 HydrophobicContact CB-CD1 3.85Å; I186-L224 HydrophobicContact CD1-CD2 3.96Å; I186-L224 HydrophobicContact CG1-CD2 3.67Å; L211-L224 HydrophobicContact CD2-CB 4.3Å; L211-L224 HydrophobicContact CD2-CD2 3.93Å; A214-L224 HydrophobicContact CB-CD1 3.75Å; L215-L224 HydrophobicContact CD2-CB 3.75Å; L215-L224 HydrophobicContact CG-CB 4.08Å; D221-L224 HydrophobicContact CB-CB 4.11Å; D221-L224 HydrophobicContact CB-CD1 3.95Å; D221-L224 HydrophobicContact CB-CG 4.03Å; D221-L224 PolarHBondContact O-N 3.4Å; D221-L224 VanDerWaalsContact O-N 3.08Å; D221-L224 PolarHBondContact OD1-N 3.31Å; D221-L224 VanDerWaalsContact OD1-N 3.12Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-S226 PolarHBondContact O-N 3.39Å; L224-M227 PolarHBondContact O-N 2.89Å; L224-L228 PolarHBondContact O-N 3.29Å
225L98.1Very high94.1Very high6 Ų629 Ų293%0.03116%0.158CC..Hα-helixtrans-55.8-48.2173.9-71.9170.9000111L215 D221 V223 M227 L228 A229 L244 K247 A248L215-L225 HydrophobicContact CD1-CD2 4.03Å; L215-L225 HydrophobicContact CD2-CD2 3.69Å; L215-L225 HydrophobicContact CD2-CG 3.71Å; L215-L225 HydrophobicContact CG-CD2 4.48Å; D221-L225 WeakPolarHBondContact O-CG 3.42Å; D221-L225 PolarHBondContact O-N 3.3Å; V223-L225 PolarHBondContact O-N 2.95Å; L225-M227 VanDerWaalsContact C-N 3.34Å; L225-M227 PolarHBondContact O-N 2.99Å; L225-L228 PolarHBondContact O-N 3.45Å; L225-A229 PolarHBondContact O-N 3.26Å; L225-L244 HydrophobicContact CD2-CD2 3.59Å; L225-K247 HydrophobicContact CD1-CB 3.92Å; L225-A248 HydrophobicContact CB-CB 3.75Å; L225-A248 HydrophobicContact CD1-CB 4.43Å
226S97.6Very high93.7Very high0 Ų035.3 Ų35.30%019%0.185CC..Hα-helixtrans-64.5-35.2178.671.10000113.4G222 V223 L224 V230 Y261G222-S226 WeakPolarHBondContact O-CB 3.3Å; G222-S226 PolarHBondContact O-N 3.31Å; G222-S226 VanDerWaalsContact O-N 3.12Å; G222-S226 PolarHBondContact O-OG 2.8Å; V223-S226 PolarHBondContact O-N 3.38Å; V223-S226 PolarHBondContact O-OG 2.9Å; L224-S226 VanDerWaalsContact C-N 3.33Å; L224-S226 PolarHBondContact O-N 3.39Å; S226-V230 WeakPolarHBondContact O-CG2 3.29Å; S226-V230 PolarHBondContact O-N 2.64Å; S226-V230 VanDerWaalsContact O-N 3.12Å; S226-Y261 WeakPolarHBondContact OG-CB 3.41Å
227M96.6Very high93.4Very high1 Ų133.8 Ų33.81%0.00518%0.176CC..Hα-helixtrans-72-39.7178.2-69.2172.773.400111.6I186 F189 L211 V223 L224 L225 V230 K231 Y261I186-M227 HydrophobicContact CB-CE 4.19Å; I186-M227 HydrophobicContact CG1-CE 3.99Å; I186-M227 HydrophobicContact CG1-SD 3.94Å; I186-M227 HydrophobicContact CG2-CE 4.1Å; F189-M227 HydrophobicContact CB-CE 3.49Å; F189-M227 VanDerWaalsContact CB-CE 3.49Å; F189-M227 HydrophobicContact CD1-CE 3.13Å; F189-M227 HydrophobicContact CD2-CB 3.96Å; F189-M227 HydrophobicContact CD2-CE 3.99Å; F189-M227 HydrophobicContact CE1-CE 3.75Å; F189-M227 HydrophobicContact CE1-CG 4.42Å; F189-M227 HydrophobicContact CE2-CB 3.93Å; F189-M227 HydrophobicContact CE2-CG 4.39Å; F189-M227 VanDerWaalsContact CE2-O 3.28Å; F189-M227 WeakPolarHBondContact CE2-O 3.38Å; F189-M227 HydrophobicContact CG-CB 4.41Å; F189-M227 HydrophobicContact CG-CE 3.26Å; F189-M227 HydrophobicContact CZ-CB 4.33Å; F189-M227 HydrophobicContact CZ-CE 4.39Å; F189-M227 HydrophobicContact CZ-CG 4.31Å; L211-M227 HydrophobicContact CD1-CB 4.32Å; L211-M227 HydrophobicContact CD2-CB 4.11Å; V223-M227 HydrophobicContact CG1-SD 3.92Å; V223-M227 VanDerWaalsContact O-CG 3.29Å; V223-M227 WeakPolarHBondContact O-CG 3.49Å; V223-M227 PolarHBondContact O-N 2.84Å; L224-M227 PolarHBondContact O-N 2.89Å; L225-M227 VanDerWaalsContact C-N 3.34Å; L225-M227 PolarHBondContact O-N 2.99Å; M227-V230 PolarHBondContact O-N 3.21Å; M227-K231 PolarHBondContact O-N 3.28Å; M227-Y261 HydrophobicContact CG-CD1 4.48Å; M227-Y261 HydrophobicContact CG-CD2 3.57Å; M227-Y261 HydrophobicContact CG-CE2 3.7Å; M227-Y261 HydrophobicContact CG-CG 4Å; M227-Y261 HydrophobicContact SD-CD2 4.2Å; M227-Y261 HydrophobicContact SD-CE2 3.76Å
228L96.4Very high93.2Very high3 Ų335.6 Ų35.62%0.01618%0.18CC..Hα-helixtrans-63.4-43.9173.5-178.259.6000110.9V208 L211 R212 L215 L224 L225 V230 K231 L232 L244V208-L228 HydrophobicContact CB-CD1 4.36Å; V208-L228 HydrophobicContact CG1-CD1 3.97Å; V208-L228 HydrophobicContact CG2-CD1 4.23Å; L211-L228 HydrophobicContact CB-CB 4.27Å; L211-L228 HydrophobicContact CB-CD1 4.12Å; L211-L228 HydrophobicContact CD1-CB 4.26Å; L211-L228 HydrophobicContact CD1-CD1 4.42Å; R212-L228 HydrophobicContact CG-CD1 4.42Å; R212-L228 HydrophobicContact CG-CD2 4.07Å; L215-L228 HydrophobicContact CD1-CB 4.21Å; L215-L228 HydrophobicContact CD1-CD2 3.61Å; L224-L228 PolarHBondContact O-N 3.29Å; L225-L228 PolarHBondContact O-N 3.45Å; L228-V230 VanDerWaalsContact C-N 3.31Å; L228-V230 PolarHBondContact O-N 2.96Å; L228-K231 PolarHBondContact O-N 2.8Å; L228-K231 VanDerWaalsContact O-N 3.08Å; L228-L232 HydrophobicContact CD1-CD1 4.11Å; L228-L232 HydrophobicContact CD1-CD2 4.47Å; L228-L232 HydrophobicContact CD1-CG 4.03Å; L228-L232 HydrophobicContact CD2-CD1 4.46Å; L228-L232 HydrophobicContact CG-CD1 3.89Å; L228-L232 HydrophobicContact CG-CG 4.24Å; L228-L232 WeakPolarHBondContact O-CG 3.22Å; L228-L232 PolarHBondContact O-N 2.85Å; L228-L244 HydrophobicContact CB-CD1 4.09Å; L228-L244 HydrophobicContact CD2-CD1 3.64Å; L228-L244 HydrophobicContact CD2-CD2 4.28Å; L228-L244 HydrophobicContact CG-CD1 3.6Å
229A96Very high93.2Very high0 Ų041.9 Ų41.90%021%0.207CC..Hα-helixtrans-57.3-41.9175.300000112.7L225 K231 L232 G233 A241 L244 V245 Y265L225-A229 PolarHBondContact O-N 3.26Å; A229-K231 VanDerWaalsContact C-N 3.34Å; A229-K231 PolarHBondContact O-N 3.24Å; A229-L232 PolarHBondContact O-N 2.99Å; A229-G233 PolarHBondContact O-N 3.26Å; A229-A241 HydrophobicContact CB-CB 4.35Å; A229-A241 WeakPolarHBondContact CB-O 3.44Å; A229-L244 HydrophobicContact CB-CB 3.96Å; A229-V245 HydrophobicContact CB-CG2 3.7Å; A229-Y265 WeakPolarHBondContact O-CD2 3.36Å
230V94.1Very high93.2Very high5 Ų541.5 Ų41.53%0.0320%0.198CC..Hα-helixtrans-60.2-43.2175.1170.40000111.5F189 S226 M227 L228 V234 Y261 K264 Y268F189-V230 HydrophobicContact CE2-CB 4.18Å; F189-V230 HydrophobicContact CE2-CG1 4.13Å; F189-V230 HydrophobicContact CZ-CB 4.31Å; F189-V230 HydrophobicContact CZ-CG1 4.05Å; S226-V230 WeakPolarHBondContact O-CG2 3.29Å; S226-V230 PolarHBondContact O-N 2.64Å; S226-V230 VanDerWaalsContact O-N 3.12Å; M227-V230 PolarHBondContact O-N 3.21Å; L228-V230 VanDerWaalsContact C-N 3.31Å; L228-V230 PolarHBondContact O-N 2.96Å; V230-V234 WeakPolarHBondContact O-CB 3.27Å; V230-V234 VanDerWaalsContact O-CG2 3.23Å; V230-V234 WeakPolarHBondContact O-CG2 3.2Å; V230-V234 PolarHBondContact O-N 3.07Å; V230-Y261 WeakPolarHBondContact CG2-O 3.36Å; V230-K264 HydrophobicContact CG1-CD 4.2Å; V230-K264 HydrophobicContact CG1-CG 4.47Å; V230-K264 HydrophobicContact CG2-CB 4.45Å; V230-Y268 HydrophobicContact CG1-CE2 4.25Å
231K90.8Very high93.3Very high17 Ų1735.2 Ų35.27%0.07417%0.165CC..Hα-helixtrans-67.2-45.7178.8-74-76.9177.1171.20111.6F189 E192 V208 L211 M227 L228 A229 V234 E235F189-K231 HydrophobicContact CD2-CD 4.21Å; F189-K231 VanDerWaalsContact CD2-CE 3.47Å; F189-K231 HydrophobicContact CD2-CG 3.71Å; F189-K231 HydrophobicContact CE2-CD 4.41Å; F189-K231 HydrophobicContact CE2-CG 3.83Å; E192-K231 PolarHBondContact O-NZ 3.2Å; E192-K231 WeakPolarHBondContact OE2-CE 3.41Å; E192-K231 IonicContact OE2-NZ 3.77Å; E192-K231 PolarHBondContact OE2-NZ 3.27Å; V208-K231 HydrophobicContact CG2-CB 3.57Å; V208-K231 HydrophobicContact CG2-CG 4.18Å; L211-K231 HydrophobicContact CD1-CG 4.47Å; M227-K231 PolarHBondContact O-N 3.28Å; L228-K231 PolarHBondContact O-N 2.8Å; L228-K231 VanDerWaalsContact O-N 3.08Å; A229-K231 VanDerWaalsContact C-N 3.34Å; A229-K231 PolarHBondContact O-N 3.24Å; K231-V234 WeakPolarHBondContact O-CB 3.22Å; K231-V234 PolarHBondContact O-N 2.94Å; K231-E235 PolarHBondContact O-N 3.39Å
232L91.3Very high93.4Very high0 Ų038.4 Ų38.40%018%0.179CC..Hα-helixtrans-67.4-39-179.6-67178.1000113V208 L228 A229 V234 E235 K236 K237 E240 A241 L244V208-L232 HydrophobicContact CG1-CD2 4.36Å; L228-L232 HydrophobicContact CD1-CD1 4.11Å; L228-L232 HydrophobicContact CD1-CD2 4.47Å; L228-L232 HydrophobicContact CD1-CG 4.03Å; L228-L232 HydrophobicContact CD2-CD1 4.46Å; L228-L232 HydrophobicContact CG-CD1 3.89Å; L228-L232 HydrophobicContact CG-CG 4.24Å; L228-L232 WeakPolarHBondContact O-CG 3.22Å; L228-L232 PolarHBondContact O-N 2.85Å; A229-L232 PolarHBondContact O-N 2.99Å; L232-V234 PolarHBondContact O-N 3.44Å; L232-E235 CarbonylContact O-C 3.15Å; L232-E235 WeakPolarHBondContact O-CA 3.31Å; L232-E235 PolarHBondContact O-N 2.96Å; L232-E235 VanDerWaalsContact O-N 3.12Å; L232-K236 PolarHBondContact O-N 2.91Å; L232-K237 HydrophobicContact CB-CB 4.15Å; L232-K237 HydrophobicContact CD2-CB 4.39Å; L232-K237 HydrophobicContact CD2-CD 3.69Å; L232-K237 PolarHBondContact O-N 3.47Å; L232-E240 HydrophobicContact CD1-CB 4.17Å; L232-E240 VanDerWaalsContact CD1-CD 3.42Å; L232-E240 HydrophobicContact CD1-CG 3.71Å; L232-E240 WeakPolarHBondContact CD1-OE2 3.28Å; L232-A241 HydrophobicContact CB-CB 4.01Å; L232-L244 HydrophobicContact CD1-CD1 3.53Å
233G89.1Confident93.4Very high5 Ų540.7 Ų40.75%0.05219%0.194CC..Hα-helixtrans-61.4-33.1174.100000112.5A229 K236 Y238A229-G233 PolarHBondContact O-N 3.26Å; G233-K236 PolarHBondContact O-N 3.18Å; G233-Y238 WeakPolarHBondContact O-CE1 3.49Å
234V84.5Confident93.5Very high34 Ų3440.6 Ų40.621%0.20619%0.193CC..Hα-helixtrans-74.8-34.5175.7165.70000111.8F194 V230 K231 L232 K236 Y268F194-V234 HydrophobicContact CD1-CG1 3.39Å; F194-V234 HydrophobicContact CD2-CG1 3.29Å; F194-V234 HydrophobicContact CE1-CG1 3.14Å; F194-V234 HydrophobicContact CE2-CB 4.42Å; F194-V234 HydrophobicContact CE2-CG1 3.05Å; F194-V234 HydrophobicContact CG-CG1 3.47Å; F194-V234 VanDerWaalsContact CG-CG1 3.47Å; F194-V234 HydrophobicContact CZ-CB 4.39Å; F194-V234 HydrophobicContact CZ-CG1 2.97Å; V230-V234 WeakPolarHBondContact O-CB 3.27Å; V230-V234 VanDerWaalsContact O-CG2 3.23Å; V230-V234 WeakPolarHBondContact O-CG2 3.2Å; V230-V234 PolarHBondContact O-N 3.07Å; K231-V234 WeakPolarHBondContact O-CB 3.22Å; K231-V234 PolarHBondContact O-N 2.94Å; L232-V234 PolarHBondContact O-N 3.44Å; V234-K236 PolarHBondContact O-N 3.26Å; V234-Y268 HydrophobicContact CG2-CD2 3.78Å; V234-Y268 HydrophobicContact CG2-CE2 3.8Å
235E85.6Confident93.5Very high53 Ų5341.2 Ų41.225%0.24820%0.196CC..THydrogen-bonded Turntrans-73.95.2167.6-67.1-178.6-175.800113.6K231 L232 K237K231-E235 PolarHBondContact O-N 3.39Å; L232-E235 CarbonylContact O-C 3.15Å; L232-E235 WeakPolarHBondContact O-CA 3.31Å; L232-E235 PolarHBondContact O-N 2.96Å; L232-E235 VanDerWaalsContact O-N 3.12Å; E235-K237 HydrophobicContact CB-CD 4.39Å; E235-K237 HydrophobicContact CB-CG 4.47Å; E235-K237 PolarHBondContact O-N 3.01Å; E235-K237 WeakPolarHBondContact OE2-CE 2.96Å; E235-K237 IonicContact OE2-NZ 3.51Å; E235-K237 PolarHBondContact OE2-NZ 3.46Å
236K88.4Confident93.4Very high151 Ų15146.3 Ų46.366%0.65722%0.22SC*.THydrogen-bonded Turntrans61.620.4-177.6-48.8179.4-178.71700115L232 G233 V234 Y238L232-K236 PolarHBondContact O-N 2.91Å; G233-K236 PolarHBondContact O-N 3.18Å; V234-K236 PolarHBondContact O-N 3.26Å; K236-Y238 VanDerWaalsContact C-N 3.29Å; K236-Y238 HydrophobicContact CB-CE1 4.4Å; K236-Y238 HydrophobicContact CB-CE2 3.88Å; K236-Y238 WeakPolarHBondContact O-CD2 3.28Å; K236-Y238 PolarHBondContact O-N 3.47Å
237K89.9Confident93.4Very high93 Ų9351.8 Ų51.840%0.40424%0.244SC..  trans-86.970.4171.7-67.6171.2-178.6160.90109.3L232 E235 A241L232-K237 HydrophobicContact CB-CB 4.15Å; L232-K237 HydrophobicContact CD2-CB 4.39Å; L232-K237 HydrophobicContact CD2-CD 3.69Å; L232-K237 PolarHBondContact O-N 3.47Å; E235-K237 HydrophobicContact CB-CD 4.39Å; E235-K237 HydrophobicContact CB-CG 4.47Å; E235-K237 PolarHBondContact O-N 3.01Å; E235-K237 WeakPolarHBondContact OE2-CE 2.96Å; E235-K237 IonicContact OE2-NZ 3.51Å; E235-K237 PolarHBondContact OE2-NZ 3.46Å; K237-A241 WeakPolarHBondContact O-CB 3.4Å; K237-A241 PolarHBondContact O-N 2.64Å
238Y92Very high93.4Very high90 Ų9051.8 Ų51.835%0.35324%0.244SC..Hα-helixtrans-71.8-42.4-166.1-57.6-58000113.1G233 K236 E240 A241 E242G233-Y238 WeakPolarHBondContact O-CE1 3.49Å; K236-Y238 VanDerWaalsContact C-N 3.29Å; K236-Y238 HydrophobicContact CB-CE1 4.4Å; K236-Y238 HydrophobicContact CB-CE2 3.88Å; K236-Y238 WeakPolarHBondContact O-CD2 3.28Å; K236-Y238 PolarHBondContact O-N 3.47Å; Y238-E240 VanDerWaalsContact C-N 3.33Å; Y238-E240 PolarHBondContact O-N 3.05Å; Y238-A241 PolarHBondContact O-N 2.87Å; Y238-A241 VanDerWaalsContact O-N 3.12Å; Y238-E242 WeakPolarHBondContact O-CG 3.28Å; Y238-E242 PolarHBondContact O-N 2.76Å
239E94.8Very high93.4Very high153 Ų15354.7 Ų54.772%0.71526%0.259SS*.Hα-helixtrans-61.8-43.2-176.9-59.184.9179.900111.5E242 S243E239-E242 PolarHBondContact O-N 3.07Å; E239-S243 PolarHBondContact O-N 3.11Å; E239-S243 VanDerWaalsContact O-N 3.14Å
240E95.1Very high93.4Very high71 Ų7162.6 Ų62.633%0.33229%0.293SS..Hα-helixtrans-65.7-42176.2-169.6-178-175.100111.3R212 L232 Y238 E242 S243 L244R212-E240 IonicContact CZ-OE1 2.63Å; R212-E240 IonicContact CZ-OE2 3.83Å; R212-E240 IonicContact NH1-OE1 2.74Å; R212-E240 PolarHBondContact NH1-OE1 3Å; R212-E240 IonicContact NH2-OE1 3.8Å; R212-E240 PolarHBondContact NH2-OE1 3.21Å; R212-E240 IonicContact NH2-OE2 2.83Å; R212-E240 PolarHBondContact NH2-OE2 3.34Å; L232-E240 HydrophobicContact CD1-CB 4.17Å; L232-E240 VanDerWaalsContact CD1-CD 3.42Å; L232-E240 HydrophobicContact CD1-CG 3.71Å; L232-E240 WeakPolarHBondContact CD1-OE2 3.28Å; Y238-E240 VanDerWaalsContact C-N 3.33Å; Y238-E240 PolarHBondContact O-N 3.05Å; E240-E242 PolarHBondContact O-N 3.19Å; E240-S243 PolarHBondContact O-N 2.98Å; E240-L244 HydrophobicContact CG-CD1 4.37Å; E240-L244 VanDerWaalsContact O-CG 3.31Å; E240-L244 WeakPolarHBondContact O-CG 3.43Å; E240-L244 PolarHBondContact O-N 2.93Å
241A95.6Very high93.4Very high0 Ų064.5 Ų64.50%031%0.31CS..Hα-helixtrans-63.4-41178.800000112.4A229 L232 K237 Y238 L244 V245 Y265A229-A241 HydrophobicContact CB-CB 4.35Å; A229-A241 WeakPolarHBondContact CB-O 3.44Å; L232-A241 HydrophobicContact CB-CB 4.01Å; K237-A241 WeakPolarHBondContact O-CB 3.4Å; K237-A241 PolarHBondContact O-N 2.64Å; Y238-A241 PolarHBondContact O-N 2.87Å; Y238-A241 VanDerWaalsContact O-N 3.12Å; A241-L244 PolarHBondContact O-N 2.9Å; A241-V245 WeakPolarHBondContact O-CG2 3.46Å; A241-V245 PolarHBondContact O-N 2.96Å; A241-Y265 HydrophobicContact CB-CD2 4.3Å; A241-Y265 HydrophobicContact CB-CE2 3.45Å; A241-Y265 VanDerWaalsContact CB-CE2 3.45Å
242E95.8Very high93.4Very high103 Ų10364.4 Ų64.448%0.48131%0.312SS..Hα-helixtrans-63.3-45.5176-70.8-173.2161.400111.3Y238 E239 E240 L244 V245 E246 Y265Y238-E242 WeakPolarHBondContact O-CG 3.28Å; Y238-E242 PolarHBondContact O-N 2.76Å; E239-E242 PolarHBondContact O-N 3.07Å; E240-E242 PolarHBondContact O-N 3.19Å; E242-L244 VanDerWaalsContact C-N 3.27Å; E242-L244 PolarHBondContact O-N 3.34Å; E242-V245 PolarHBondContact O-N 3.49Å; E242-V245 VanDerWaalsContact O-N 3.1Å; E242-E246 PolarHBondContact O-N 3.43Å; E242-Y265 WeakPolarHBondContact CG-OH 3.32Å
243S97.2Very high93.4Very high52 Ų5267.8 Ų67.836%0.36433%0.334SS..Hα-helixtrans-56.4-41.6175.2-171.30000112.3E239 E240 E246 K247E239-S243 PolarHBondContact O-N 3.11Å; E239-S243 VanDerWaalsContact O-N 3.14Å; E240-S243 PolarHBondContact O-N 2.98Å; S243-E246 PolarHBondContact O-N 2.98Å; S243-K247 WeakPolarHBondContact O-CG 3.39Å; S243-K247 PolarHBondContact O-N 3.43Å; S243-K247 VanDerWaalsContact O-N 3.07Å
244L97.8Very high93.4Very high16 Ų1671.2 Ų71.28%0.08435%0.351CS..Hα-helixtrans-69-37.2177-69.2169.1000112.8L225 L228 A229 L232 E240 A241 E242 K247 A248L225-L244 HydrophobicContact CD2-CD2 3.59Å; L228-L244 HydrophobicContact CB-CD1 4.09Å; L228-L244 HydrophobicContact CD2-CD1 3.64Å; L228-L244 HydrophobicContact CD2-CD2 4.28Å; L228-L244 HydrophobicContact CG-CD1 3.6Å; A229-L244 HydrophobicContact CB-CB 3.96Å; L232-L244 HydrophobicContact CD1-CD1 3.53Å; E240-L244 HydrophobicContact CG-CD1 4.37Å; E240-L244 VanDerWaalsContact O-CG 3.31Å; E240-L244 WeakPolarHBondContact O-CG 3.43Å; E240-L244 PolarHBondContact O-N 2.93Å; A241-L244 PolarHBondContact O-N 2.9Å; E242-L244 VanDerWaalsContact C-N 3.27Å; E242-L244 PolarHBondContact O-N 3.34Å; L244-K247 PolarHBondContact O-N 3.22Å; L244-A248 WeakPolarHBondContact O-CB 3.21Å; L244-A248 PolarHBondContact O-N 3.36Å
245V97.2Very high93.8Very high12 Ų1271.1 Ų71.17%0.07335%0.35CS..Hα-helixtrans-62.4-45.1174.3166.40000110.8A229 A241 E242 K247 A248 L249 I262 Y265A229-V245 HydrophobicContact CB-CG2 3.7Å; A241-V245 WeakPolarHBondContact O-CG2 3.46Å; A241-V245 PolarHBondContact O-N 2.96Å; E242-V245 PolarHBondContact O-N 3.49Å; E242-V245 VanDerWaalsContact O-N 3.1Å; V245-K247 VanDerWaalsContact C-N 3.34Å; V245-K247 PolarHBondContact O-N 2.9Å; V245-A248 PolarHBondContact O-N 3.22Å; V245-L249 HydrophobicContact CG1-CD1 4.07Å; V245-L249 HydrophobicContact CG1-CG 4.49Å; V245-L249 WeakPolarHBondContact O-CG 3.16Å; V245-L249 PolarHBondContact O-N 2.88Å; V245-I262 HydrophobicContact CG1-CG1 4.41Å; V245-I262 HydrophobicContact CG1-CG2 3.58Å; V245-I262 HydrophobicContact CG2-CG2 4.43Å; V245-Y265 HydrophobicContact CG2-CD1 3.65Å; V245-Y265 HydrophobicContact CG2-CE1 3.92Å; V245-Y265 HydrophobicContact CG2-CG 4.18Å
246E96.3Very high94.2Very high114 Ų11468.7 Ų68.753%0.53334%0.338SS..Hα-helixtrans-61.2-43.6177-70.5-175.5179.600111.9E242 S243 L249 K250E242-E246 PolarHBondContact O-N 3.43Å; S243-E246 PolarHBondContact O-N 2.98Å; E246-L249 PolarHBondContact O-N 3.08Å; E246-K250 WeakPolarHBondContact O-CG 3.43Å; E246-K250 PolarHBondContact O-N 3.35Å; E246-K250 VanDerWaalsContact O-N 3.08Å
247K97.4Very high94.5Very high115 Ų11563.4 Ų63.450%0.532%0.316SS..Hα-helixtrans-62.1-43.4174.4-71.3178.1-175.9-176.20111.6L225 S243 L244 V245 L249 K250 A251L225-K247 HydrophobicContact CD1-CB 3.92Å; S243-K247 WeakPolarHBondContact O-CG 3.39Å; S243-K247 PolarHBondContact O-N 3.43Å; S243-K247 VanDerWaalsContact O-N 3.07Å; L244-K247 PolarHBondContact O-N 3.22Å; V245-K247 VanDerWaalsContact C-N 3.34Å; V245-K247 PolarHBondContact O-N 2.9Å; K247-L249 PolarHBondContact O-N 2.96Å; K247-K250 PolarHBondContact O-N 3.27Å; K247-A251 WeakPolarHBondContact O-CB 3.48Å; K247-A251 PolarHBondContact O-N 2.95Å
248A96.9Very high94.7Very high0 Ų059 Ų590%030%0.297CS..Hα-helixtrans-61.9-42.1178.900000112.2L225 L244 V245 K250 A251 A252 I262L225-A248 HydrophobicContact CB-CB 3.75Å; L225-A248 HydrophobicContact CD1-CB 4.43Å; L244-A248 WeakPolarHBondContact O-CB 3.21Å; L244-A248 PolarHBondContact O-N 3.36Å; V245-A248 PolarHBondContact O-N 3.22Å; A248-K250 VanDerWaalsContact C-N 3.33Å; A248-A251 PolarHBondContact O-N 3.42Å; A248-A252 PolarHBondContact O-N 3.11Å; A248-I262 HydrophobicContact CB-CD1 3.93Å; A248-I262 HydrophobicContact CB-CG1 4.46Å
249L95.1Very high94.9Very high65 Ų6554.8 Ų54.834%0.3428%0.281SS..Hα-helixtrans-66.5-33.4176.2-72172.3000112.5V245 E246 K247 P253 I262 L278V245-L249 HydrophobicContact CG1-CD1 4.07Å; V245-L249 HydrophobicContact CG1-CG 4.49Å; V245-L249 WeakPolarHBondContact O-CG 3.16Å; V245-L249 PolarHBondContact O-N 2.88Å; E246-L249 PolarHBondContact O-N 3.08Å; K247-L249 PolarHBondContact O-N 2.96Å; L249-P253 WeakPolarHBondContact O-CA 3.42Å; L249-P253 VanDerWaalsContact O-CB 3.29Å; L249-P253 WeakPolarHBondContact O-CB 3.36Å; L249-I262 HydrophobicContact CD2-CD1 3.64Å; L249-I262 HydrophobicContact CG-CD1 3.85Å; L249-L278 HydrophobicContact CD2-CD1 4.44Å
250K95.8Very high94.9Very high165 Ų16548.4 Ų48.472%0.71725%0.25SC*.Hα-helixtrans-72.3-43.4174.5-72.4172-176.7171.30112.1E246 K247 A248E246-K250 WeakPolarHBondContact O-CG 3.43Å; E246-K250 PolarHBondContact O-N 3.35Å; E246-K250 VanDerWaalsContact O-N 3.08Å; K247-K250 PolarHBondContact O-N 3.27Å; A248-K250 VanDerWaalsContact C-N 3.33Å
251A94.6Very high95Very high45 Ų4545.5 Ų45.537%0.37224%0.236SC..Hα-helixtrans-72.5-33.9-177.400000113D220 K247 A248D220-A251 HydrophobicContact CB-CB 4.36Å; D220-A251 WeakPolarHBondContact O-CB 3.47Å; K247-A251 WeakPolarHBondContact O-CB 3.48Å; K247-A251 PolarHBondContact O-N 2.95Å; A248-A251 PolarHBondContact O-N 3.42Å
252A91.6Very high95.1Very high16 Ų1645.6 Ų45.613%0.13224%0.237CC..  trans-141.461.8-174.200000112.2A248 D254 N255 A258A248-A252 PolarHBondContact O-N 3.11Å; A252-D254 PolarHBondContact O-N 3.11Å; A252-D254 VanDerWaalsContact O-N 3.11Å; A252-N255 HydrophobicContact CB-CB 3.65Å; A252-N255 PolarHBondContact O-N 2.97Å; A252-A258 HydrophobicContact CB-CB 4.27Å
253P90.9Very high95.2Very high70 Ų7040.7 Ų40.746%0.45521%0.214SC..THydrogen-bonded Turntrans-62.6-23.6-168.123-34.4000115.1L249 M259L249-P253 WeakPolarHBondContact O-CA 3.42Å; L249-P253 VanDerWaalsContact O-CB 3.29Å; L249-P253 WeakPolarHBondContact O-CB 3.36Å; P253-M259 WeakPolarHBondContact O-CE 3.28Å
254D89.7Confident95.1Very high77 Ų7740.3 Ų40.341%0.41221%0.205SC..THydrogen-bonded Turntrans-120.310.6-177.5-87.1-1.6000113A252 P256 R281 R285A252-D254 PolarHBondContact O-N 3.11Å; A252-D254 VanDerWaalsContact O-N 3.11Å; D254-P256 VanDerWaalsContact O-CD 3.3Å; D254-P256 WeakPolarHBondContact O-CD 3.39Å; D254-R281 IonicContact OD1-NH2 2.86Å; D254-R285 IonicContact OD2-CZ 3.06Å; D254-R285 IonicContact OD2-NE 2.92Å; D254-R285 IonicContact OD2-NH2 3.75Å; D254-R285 PolarHBondContact OD2-NH2 3.3Å
255N92.7Very high95Very high32 Ų3239.8 Ų39.817%0.17120%0.202CC..  trans-82.9113.9-177.9-174.4-39.9000111.2A252 H257 A258 M259A252-N255 HydrophobicContact CB-CB 3.65Å; A252-N255 PolarHBondContact O-N 2.97Å; N255-H257 PolarHBondContact O-N 3.12Å; N255-H257 VanDerWaalsContact O-N 3.16Å; N255-H257 WeakPolarHBondContact OD1-CA 3.38Å; N255-H257 VanDerWaalsContact OD1-CB 3.3Å; N255-H257 WeakPolarHBondContact OD1-CB 3.29Å; N255-H257 PolarHBondContact OD1-N 3.5Å; N255-A258 HydrophobicContact CB-CB 4.25Å; N255-A258 PolarHBondContact O-N 3.08Å; N255-A258 VanDerWaalsContact O-N 3.11Å; N255-A258 PolarHBondContact OD1-N 3.29Å; N255-M259 WeakPolarHBondContact O-CG 3.29Å; N255-M259 PolarHBondContact O-N 3.04Å
256P94.2Very high94.9Very high2 Ų240.3 Ų40.31%0.01320%0.204CC..Hα-helixtrans-64.5-23.9-177.125.8-34.5000113.4L47 L49 D254 R260 A282 R285 I292L47-P256 HydrophobicContact CD1-CG 3.99Å; L49-P256 HydrophobicContact CD1-CG 4.48Å; L49-P256 HydrophobicContact CD2-CG 4.41Å; D254-P256 VanDerWaalsContact O-CD 3.3Å; D254-P256 WeakPolarHBondContact O-CD 3.39Å; P256-R260 WeakPolarHBondContact O-CB 3.39Å; P256-R260 PolarHBondContact O-N 2.97Å; P256-R260 VanDerWaalsContact O-N 3.14Å; P256-A282 HydrophobicContact CB-CB 4.14Å; P256-R285 HydrophobicContact CG-CB 4.35Å; P256-I292 HydrophobicContact CB-CD1 4.32Å
257H93.1Very high94.9Very high41 Ų4136 Ų3619%0.1918%0.183CC..Hα-helixtrans-75.4-31.7175.7-70.1-6.2000113.5L49 V223 N255 R260 Y261L49-H257 WeakPolarHBondContact CD1-NE2 3.4Å; V223-H257 HydrophobicContact CG1-CB 4.47Å; V223-H257 HydrophobicContact CG2-CB 3.84Å; N255-H257 PolarHBondContact O-N 3.12Å; N255-H257 VanDerWaalsContact O-N 3.16Å; N255-H257 WeakPolarHBondContact OD1-CA 3.38Å; N255-H257 VanDerWaalsContact OD1-CB 3.3Å; N255-H257 WeakPolarHBondContact OD1-CB 3.29Å; N255-H257 PolarHBondContact OD1-N 3.5Å; H257-R260 WeakPolarHBondContact O-CG 3.48Å; H257-Y261 WeakPolarHBondContact O-CD2 3.49Å
258A95.4Very high94.5Very high0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-74.2-48.6171.200000109.9V223 A252 N255 R260 Y261 I262V223-A258 HydrophobicContact CG2-CB 4.47Å; A252-A258 HydrophobicContact CB-CB 4.27Å; N255-A258 HydrophobicContact CB-CB 4.25Å; N255-A258 PolarHBondContact O-N 3.08Å; N255-A258 VanDerWaalsContact O-N 3.11Å; N255-A258 PolarHBondContact OD1-N 3.29Å; A258-R260 VanDerWaalsContact C-N 3.35Å; A258-R260 PolarHBondContact O-N 3.28Å; A258-Y261 PolarHBondContact O-N 3.32Å; A258-Y261 VanDerWaalsContact O-N 3.08Å; A258-I262 HydrophobicContact CB-CD1 4.39Å; A258-I262 WeakPolarHBondContact O-CG1 3.09Å; A258-I262 PolarHBondContact O-N 2.87Å
259M96.5Very high94.3Very high2 Ų238.9 Ų38.91%0.0119%0.194CC..Hα-helixtrans-51.7-48.7179.6-71.8-178.917200112.6P253 N255 Y261 I262 S263 L278 R281 A282P253-M259 WeakPolarHBondContact O-CE 3.28Å; N255-M259 WeakPolarHBondContact O-CG 3.29Å; N255-M259 PolarHBondContact O-N 3.04Å; M259-Y261 PolarHBondContact O-N 3.44Å; M259-I262 PolarHBondContact O-N 3.47Å; M259-S263 WeakPolarHBondContact O-CB 3.44Å; M259-S263 PolarHBondContact O-N 3.08Å; M259-S263 PolarHBondContact O-OG 3.04Å; M259-L278 HydrophobicContact CB-CD1 4.24Å; M259-L278 HydrophobicContact CB-CD2 4.45Å; M259-L278 HydrophobicContact CB-CG 3.98Å; M259-L278 HydrophobicContact CE-CD1 4.17Å; M259-L278 HydrophobicContact CG-CD1 3.74Å; M259-L278 HydrophobicContact CG-CG 4.06Å; M259-L278 HydrophobicContact SD-CD1 4.14Å; M259-R281 HydrophobicContact SD-CB 4.41Å; M259-A282 HydrophobicContact CB-CB 3.84Å; M259-A282 HydrophobicContact CG-CB 4.46Å; M259-A282 HydrophobicContact SD-CB 3.73Å
260R95.2Very high94.1Very high18 Ų1837.6 Ų37.67%0.06820%0.197CC..Hα-helixtrans-60.7-30.7-177.975.8-170.6-177.1175.3-6.9114P256 H257 A258 K264 L279 F291 I292P256-R260 WeakPolarHBondContact O-CB 3.39Å; P256-R260 PolarHBondContact O-N 2.97Å; P256-R260 VanDerWaalsContact O-N 3.14Å; H257-R260 WeakPolarHBondContact O-CG 3.48Å; A258-R260 VanDerWaalsContact C-N 3.35Å; A258-R260 PolarHBondContact O-N 3.28Å; R260-K264 PolarHBondContact O-N 3.44Å; R260-L279 HydrophobicContact CB-CD2 4.49Å; R260-F291 HydrophobicContact CB-CD1 3.88Å; R260-F291 HydrophobicContact CB-CE1 3.85Å; R260-F291 HydrophobicContact CG-CD1 3.88Å; R260-F291 HydrophobicContact CG-CE1 3.73Å; R260-I292 HydrophobicContact CB-CG1 3.93Å
261Y96.5Very high94.1Very high11 Ų1132.9 Ų32.94%0.04318%0.18CC..Hα-helixtrans-85.8-37.3178.6-69.4-53.1000111.4F189 V223 S226 M227 V230 H257 A258 M259 S263 K264 Y265 F291F189-Y261 HydrophobicContact CE1-CD1 4.4Å; F189-Y261 AromaticContact CE1-CE1 3.9Å; F189-Y261 HydrophobicContact CE1-CE1 3.9Å; F189-Y261 HydrophobicContact CZ-CD1 4.36Å; F189-Y261 HydrophobicContact CZ-CE1 4.32Å; V223-Y261 HydrophobicContact CG1-CD2 4.36Å; V223-Y261 HydrophobicContact CG1-CE2 4.22Å; S226-Y261 WeakPolarHBondContact OG-CB 3.41Å; M227-Y261 HydrophobicContact CG-CD1 4.48Å; M227-Y261 HydrophobicContact CG-CD2 3.57Å; M227-Y261 HydrophobicContact CG-CE2 3.7Å; M227-Y261 HydrophobicContact CG-CG 4Å; M227-Y261 HydrophobicContact SD-CD2 4.2Å; M227-Y261 HydrophobicContact SD-CE2 3.76Å; V230-Y261 WeakPolarHBondContact CG2-O 3.36Å; H257-Y261 WeakPolarHBondContact O-CD2 3.49Å; A258-Y261 PolarHBondContact O-N 3.32Å; A258-Y261 VanDerWaalsContact O-N 3.08Å; M259-Y261 PolarHBondContact O-N 3.44Å; Y261-S263 VanDerWaalsContact C-N 3.33Å; Y261-S263 PolarHBondContact O-N 3.16Å; Y261-K264 WeakPolarHBondContact O-CB 3.36Å; Y261-K264 PolarHBondContact O-N 3.41Å; Y261-K264 VanDerWaalsContact O-N 3.15Å; Y261-Y265 PolarHBondContact O-N 3.44Å; Y261-F291 HydrophobicContact CD1-CZ 4.41Å; Y261-F291 HydrophobicContact CE1-CE1 4.39Å; Y261-F291 HydrophobicContact CE1-CZ 4.07Å
262I97.4Very high94.3Very high2 Ų231 Ų311%0.0116%0.163CC..Hα-helixtrans-59.2-46.6170.2-64.4163.2000110V245 A248 L249 A258 M259 K264 Y265 L266 L278V245-I262 HydrophobicContact CG1-CG1 4.41Å; V245-I262 HydrophobicContact CG1-CG2 3.58Å; V245-I262 HydrophobicContact CG2-CG2 4.43Å; A248-I262 HydrophobicContact CB-CD1 3.93Å; A248-I262 HydrophobicContact CB-CG1 4.46Å; L249-I262 HydrophobicContact CD2-CD1 3.64Å; L249-I262 HydrophobicContact CG-CD1 3.85Å; A258-I262 HydrophobicContact CB-CD1 4.39Å; A258-I262 WeakPolarHBondContact O-CG1 3.09Å; A258-I262 PolarHBondContact O-N 2.87Å; M259-I262 PolarHBondContact O-N 3.47Å; I262-K264 VanDerWaalsContact C-N 3.29Å; I262-K264 PolarHBondContact O-N 2.95Å; I262-Y265 WeakPolarHBondContact O-CA 3.5Å; I262-Y265 WeakPolarHBondContact O-CB 3.45Å; I262-Y265 PolarHBondContact O-N 3.39Å; I262-Y265 VanDerWaalsContact O-N 3.09Å; I262-L266 HydrophobicContact CG2-CD1 4.05Å; I262-L266 HydrophobicContact CG2-CG 4.29Å; I262-L266 WeakPolarHBondContact O-CG 3.43Å; I262-L266 PolarHBondContact O-N 3.45Å; I262-L278 HydrophobicContact CB-CD2 3.76Å; I262-L278 HydrophobicContact CG2-CD2 3.47Å; I262-L278 VanDerWaalsContact CG2-CD2 3.47Å
263S97.1Very high94.6Very high0 Ų035.4 Ų35.40%018%0.181CC..Hα-helixtrans-58.3-40.1174.5-65.40000112.3M259 Y261 L266 R267 S275 L278 L279M259-S263 WeakPolarHBondContact O-CB 3.44Å; M259-S263 PolarHBondContact O-N 3.08Å; M259-S263 PolarHBondContact O-OG 3.04Å; Y261-S263 VanDerWaalsContact C-N 3.33Å; Y261-S263 PolarHBondContact O-N 3.16Å; S263-L266 PolarHBondContact O-N 3.31Å; S263-R267 WeakPolarHBondContact O-CB 3.08Å; S263-R267 PolarHBondContact O-N 3.15Å; S263-S275 VanDerWaalsContact C-OG 3.31Å; S263-S275 WeakPolarHBondContact CB-OG 3.14Å; S263-S275 PolarHBondContact O-OG 3.1Å; S263-S275 PolarHBondContact OG-O 3Å; S263-L278 WeakPolarHBondContact OG-CB 3.39Å; S263-L278 WeakPolarHBondContact OG-CD2 3.49Å; S263-L279 WeakPolarHBondContact OG-CG 3.23Å
264K95.4Very high94.8Very high43 Ų4338.3 Ų38.319%0.18719%0.186CC..Hα-helixtrans-61.2-44.3174.3178.3175.2179.4-176.50111.5V230 R260 Y261 I262 R267 Y268V230-K264 HydrophobicContact CG1-CD 4.2Å; V230-K264 HydrophobicContact CG1-CG 4.47Å; V230-K264 HydrophobicContact CG2-CB 4.45Å; R260-K264 PolarHBondContact O-N 3.44Å; Y261-K264 WeakPolarHBondContact O-CB 3.36Å; Y261-K264 PolarHBondContact O-N 3.41Å; Y261-K264 VanDerWaalsContact O-N 3.15Å; I262-K264 VanDerWaalsContact C-N 3.29Å; I262-K264 PolarHBondContact O-N 2.95Å; K264-R267 PolarHBondContact O-N 3.22Å; K264-Y268 HydrophobicContact CD-CE2 4.36Å; K264-Y268 WeakPolarHBondContact CE-OH 3.37Å; K264-Y268 HydrophobicContact CG-CD2 4.42Å; K264-Y268 HydrophobicContact CG-CE2 3.88Å; K264-Y268 PolarHBondContact O-N 2.93Å
265Y95.4Very high95.2Very high5 Ų534.6 Ų34.62%0.0217%0.167CC..Hα-helixtrans-61.2-50.2174167.7-93.7000111.6A229 A241 E242 V245 Y261 I262 R267 Y268 Q269A229-Y265 WeakPolarHBondContact O-CD2 3.36Å; A241-Y265 HydrophobicContact CB-CD2 4.3Å; A241-Y265 HydrophobicContact CB-CE2 3.45Å; A241-Y265 VanDerWaalsContact CB-CE2 3.45Å; E242-Y265 WeakPolarHBondContact CG-OH 3.32Å; V245-Y265 HydrophobicContact CG2-CD1 3.65Å; V245-Y265 HydrophobicContact CG2-CE1 3.92Å; V245-Y265 HydrophobicContact CG2-CG 4.18Å; Y261-Y265 PolarHBondContact O-N 3.44Å; I262-Y265 WeakPolarHBondContact O-CA 3.5Å; I262-Y265 WeakPolarHBondContact O-CB 3.45Å; I262-Y265 PolarHBondContact O-N 3.39Å; I262-Y265 VanDerWaalsContact O-N 3.09Å; Y265-R267 VanDerWaalsContact C-N 3.26Å; Y265-R267 PolarHBondContact O-N 2.91Å; Y265-Y268 WeakPolarHBondContact O-CA 3.16Å; Y265-Y268 WeakPolarHBondContact O-CB 3.4Å; Y265-Y268 PolarHBondContact O-N 2.69Å; Y265-Q269 HydrophobicContact CD1-CG 4.31Å; Y265-Q269 HydrophobicContact CD2-CG 4.48Å; Y265-Q269 HydrophobicContact CE1-CG 3.77Å; Y265-Q269 HydrophobicContact CE2-CG 3.97Å; Y265-Q269 PolarHBondContact O-N 2.76Å
266L96.4Very high95.5Very high23 Ų2333.8 Ų33.812%0.1216%0.162CC..Hα-helixtrans-56.3-40.9178-70.4172.7000111.8I262 S263 Y268 Q269 G270 N271 K274 L278I262-L266 HydrophobicContact CG2-CD1 4.05Å; I262-L266 HydrophobicContact CG2-CG 4.29Å; I262-L266 WeakPolarHBondContact O-CG 3.43Å; I262-L266 PolarHBondContact O-N 3.45Å; S263-L266 PolarHBondContact O-N 3.31Å; L266-Y268 VanDerWaalsContact C-N 3.33Å; L266-Y268 PolarHBondContact O-N 3.18Å; L266-Q269 PolarHBondContact O-N 3.41Å; L266-G270 PolarHBondContact O-N 3.01Å; L266-N271 HydrophobicContact CB-CB 4.24Å; L266-N271 HydrophobicContact CD2-CB 4.16Å; L266-N271 PolarHBondContact O-N 2.95Å; L266-K274 HydrophobicContact CD1-CB 4.09Å; L266-L278 HydrophobicContact CD1-CD2 4.25Å
267R94.8Very high95.6Very high23 Ų2339 Ų399%0.08719%0.186CC..Hα-helixtrans-62.7-39.2175.6-170.8-179.661.5-118.9-8.8112.1S263 K264 Y265 Q269 G270 I272 Q295S263-R267 WeakPolarHBondContact O-CB 3.08Å; S263-R267 PolarHBondContact O-N 3.15Å; K264-R267 PolarHBondContact O-N 3.22Å; Y265-R267 VanDerWaalsContact C-N 3.26Å; Y265-R267 PolarHBondContact O-N 2.91Å; R267-Q269 VanDerWaalsContact C-N 3.33Å; R267-G270 PolarHBondContact O-N 3.34Å; R267-G270 VanDerWaalsContact O-N 3.15Å; R267-I272 HydrophobicContact CB-CD1 4.43Å; R267-I272 HydrophobicContact CG-CD1 3.76Å; R267-Q295 PolarHBondContact NH1-O 3.46Å; R267-Q295 VanDerWaalsContact NH1-O 3.16Å
268Y90.1Very high95.8Very high120 Ų12037.6 Ų37.647%0.47118%0.18SC..Hα-helixtrans-67.4-32.8175.6-67.6-28.3000112.9V230 V234 K264 Y265 L266 G270V230-Y268 HydrophobicContact CG1-CE2 4.25Å; V234-Y268 HydrophobicContact CG2-CD2 3.78Å; V234-Y268 HydrophobicContact CG2-CE2 3.8Å; K264-Y268 HydrophobicContact CD-CE2 4.36Å; K264-Y268 WeakPolarHBondContact CE-OH 3.37Å; K264-Y268 HydrophobicContact CG-CD2 4.42Å; K264-Y268 HydrophobicContact CG-CE2 3.88Å; K264-Y268 PolarHBondContact O-N 2.93Å; Y265-Y268 WeakPolarHBondContact O-CA 3.16Å; Y265-Y268 WeakPolarHBondContact O-CB 3.4Å; Y265-Y268 PolarHBondContact O-N 2.69Å; L266-Y268 VanDerWaalsContact C-N 3.33Å; L266-Y268 PolarHBondContact O-N 3.18Å; Y268-G270 PolarHBondContact O-N 3.03Å
269Q92Very high96Very high56 Ų5637.6 Ų37.626%0.26218%0.18SC..THydrogen-bonded Turntrans-74.9-4.3172.2-60.6-51.2-41.400113.7Y265 L266 R267 N271Y265-Q269 HydrophobicContact CD1-CG 4.31Å; Y265-Q269 HydrophobicContact CD2-CG 4.48Å; Y265-Q269 HydrophobicContact CE1-CG 3.77Å; Y265-Q269 HydrophobicContact CE2-CG 3.97Å; Y265-Q269 PolarHBondContact O-N 2.76Å; L266-Q269 PolarHBondContact O-N 3.41Å; R267-Q269 VanDerWaalsContact C-N 3.33Å; Q269-N271 VanDerWaalsContact C-N 3.28Å; Q269-N271 PolarHBondContact O-N 3.37Å
270G91.9Very high96Very high38 Ų3842 Ų4239%0.39220%0.2SC..THydrogen-bonded Turntrans80.24.7-175.700000114.4L266 R267 Y268 I272L266-G270 PolarHBondContact O-N 3.01Å; R267-G270 PolarHBondContact O-N 3.34Å; R267-G270 VanDerWaalsContact O-N 3.15Å; Y268-G270 PolarHBondContact O-N 3.03Å; G270-I272 WeakPolarHBondContact O-CG1 3.3Å; G270-I272 PolarHBondContact O-N 3.31Å
271N95.8Very high96Very high67 Ų6745.6 Ų45.636%0.35821%0.214SC..  trans-80.265.4174.4-71.9-42.8000110.6L266 Q269 S275L266-N271 HydrophobicContact CB-CB 4.24Å; L266-N271 HydrophobicContact CD2-CB 4.16Å; L266-N271 PolarHBondContact O-N 2.95Å; Q269-N271 VanDerWaalsContact C-N 3.28Å; Q269-N271 PolarHBondContact O-N 3.37Å; N271-S275 PolarHBondContact O-N 3.13Å; N271-S275 VanDerWaalsContact O-N 3.15Å
272I97.6Very high95.9Very high4 Ų445 Ų452%0.02121%0.212CC..Hα-helixtrans-69.3-41.2-168.4-46.7-56.4000112.2R267 G270 S275 I276 C299 R302 K303R267-I272 HydrophobicContact CB-CD1 4.43Å; R267-I272 HydrophobicContact CG-CD1 3.76Å; G270-I272 WeakPolarHBondContact O-CG1 3.3Å; G270-I272 PolarHBondContact O-N 3.31Å; I272-S275 VanDerWaalsContact O-CB 3.3Å; I272-S275 WeakPolarHBondContact O-CB 3.5Å; I272-S275 PolarHBondContact O-N 2.71Å; I272-I276 HydrophobicContact CG2-CD1 4.17Å; I272-I276 WeakPolarHBondContact O-CG1 3.28Å; I272-I276 PolarHBondContact O-N 2.59Å; I272-C299 HydrophobicContact CG2-CB 3.81Å; I272-R302 HydrophobicContact CD1-CB 4.17Å; I272-R302 HydrophobicContact CD1-CG 3.59Å; I272-R302 HydrophobicContact CG1-CG 4Å; I272-K303 HydrophobicContact CB-CG 4.35Å; I272-K303 HydrophobicContact CG2-CD 4.15Å; I272-K303 HydrophobicContact CG2-CG 3.66Å
273E97.6Very high95.8Very high109 Ų10946.2 Ų46.251%0.50922%0.218SC..Hα-helixtrans-61.1-49.2-179.7-74.660.8-140.300111.4S275 I276 E277 K303E273-S275 VanDerWaalsContact C-N 3.25Å; E273-S275 PolarHBondContact O-N 3.09Å; E273-I276 PolarHBondContact O-N 3.22Å; E273-E277 PolarHBondContact O-N 2.82Å; E273-K303 WeakPolarHBondContact OE1-CE 3.37Å; E273-K303 IonicContact OE1-NZ 2.72Å; E273-K303 PolarHBondContact OE1-NZ 3.1Å
274K96.9Very high95.6Very high131 Ų13153 Ų5357%0.5725%0.25SC*.Hα-helixtrans-62.1-35175.9-67.1-175.8179.11790111.9L266 L278L266-K274 HydrophobicContact CD1-CB 4.09Å; K274-L278 WeakPolarHBondContact O-CB 3.37Å; K274-L278 PolarHBondContact O-N 2.83Å; K274-L278 VanDerWaalsContact O-N 3.09Å
275S98Very high95.4Very high0 Ų057 Ų570%026%0.264CS..Hα-helixtrans-62.7-45.7175.2-171.90000111.5S263 N271 I272 E273 L278 L279 C299S263-S275 VanDerWaalsContact C-OG 3.31Å; S263-S275 WeakPolarHBondContact CB-OG 3.14Å; S263-S275 PolarHBondContact O-OG 3.1Å; S263-S275 PolarHBondContact OG-O 3Å; N271-S275 PolarHBondContact O-N 3.13Å; N271-S275 VanDerWaalsContact O-N 3.15Å; I272-S275 VanDerWaalsContact O-CB 3.3Å; I272-S275 WeakPolarHBondContact O-CB 3.5Å; I272-S275 PolarHBondContact O-N 2.71Å; E273-S275 VanDerWaalsContact C-N 3.25Å; E273-S275 PolarHBondContact O-N 3.09Å; S275-L278 PolarHBondContact O-N 3.06Å; S275-L279 WeakPolarHBondContact O-CB 3.49Å; S275-L279 WeakPolarHBondContact O-CD1 3.47Å; S275-L279 WeakPolarHBondContact O-CG 3.29Å; S275-L279 PolarHBondContact O-N 2.69Å; S275-C299 PolarHBondContact OG-SG 3.31Å; S275-C299 VanDerWaalsContact OG-SG 3.37Å
276I98.3Very high95.1Very high14 Ų1457 Ų577%0.07226%0.264CS..Hα-helixtrans-62.3-51.3177.5-68.5168.9000110.7I272 E273 L278 L279 E280 L296 C299 Y300 K303I272-I276 HydrophobicContact CG2-CD1 4.17Å; I272-I276 WeakPolarHBondContact O-CG1 3.28Å; I272-I276 PolarHBondContact O-N 2.59Å; E273-I276 PolarHBondContact O-N 3.22Å; I276-L278 VanDerWaalsContact C-N 3.27Å; I276-L278 PolarHBondContact O-N 2.93Å; I276-L279 PolarHBondContact O-N 3.44Å; I276-E280 HydrophobicContact CG2-CG 4.21Å; I276-E280 WeakPolarHBondContact CG2-OE1 3.07Å; I276-E280 WeakPolarHBondContact O-CG 3.39Å; I276-E280 PolarHBondContact O-N 3.44Å; I276-L296 HydrophobicContact CB-CD2 4.39Å; I276-L296 HydrophobicContact CG1-CD2 4.36Å; I276-L296 HydrophobicContact CG2-CD2 4.06Å; I276-C299 HydrophobicContact CD1-CB 3.94Å; I276-C299 HydrophobicContact CG1-CB 3.52Å; I276-Y300 HydrophobicContact CD1-CD1 4.39Å; I276-Y300 HydrophobicContact CD1-CE1 4.06Å; I276-K303 HydrophobicContact CD1-CD 3.67Å
277E97.3Very high94.7Very high111 Ų11163 Ų6352%0.51929%0.289SS..Hα-helixtrans-54.6-45.3179.2-174.3-167.1155.100111.6E273 E280 R281E273-E277 PolarHBondContact O-N 2.82Å; E277-E280 PolarHBondContact O-N 2.79Å; E277-R281 WeakPolarHBondContact O-CG 3.42Å; E277-R281 PolarHBondContact O-N 3.19Å
278L96.9Very high94.4Very high13 Ų1364.1 Ų64.17%0.06830%0.299CS..Hα-helixtrans-69.1-34.4-180-170.164.7000112.5L249 M259 I262 S263 L266 K274 S275 I276 A282L249-L278 HydrophobicContact CD2-CD1 4.44Å; M259-L278 HydrophobicContact CB-CD1 4.24Å; M259-L278 HydrophobicContact CB-CD2 4.45Å; M259-L278 HydrophobicContact CB-CG 3.98Å; M259-L278 HydrophobicContact CE-CD1 4.17Å; M259-L278 HydrophobicContact CG-CD1 3.74Å; M259-L278 HydrophobicContact CG-CG 4.06Å; M259-L278 HydrophobicContact SD-CD1 4.14Å; I262-L278 HydrophobicContact CB-CD2 3.76Å; I262-L278 HydrophobicContact CG2-CD2 3.47Å; I262-L278 VanDerWaalsContact CG2-CD2 3.47Å; S263-L278 WeakPolarHBondContact OG-CB 3.39Å; S263-L278 WeakPolarHBondContact OG-CD2 3.49Å; L266-L278 HydrophobicContact CD1-CD2 4.25Å; K274-L278 WeakPolarHBondContact O-CB 3.37Å; K274-L278 PolarHBondContact O-N 2.83Å; K274-L278 VanDerWaalsContact O-N 3.09Å; S275-L278 PolarHBondContact O-N 3.06Å; I276-L278 VanDerWaalsContact C-N 3.27Å; I276-L278 PolarHBondContact O-N 2.93Å; L278-A282 WeakPolarHBondContact O-CB 3.32Å; L278-A282 PolarHBondContact O-N 2.99Å
279L97.9Very high94.5Very high0 Ų059 Ų590%028%0.28CS..Hα-helixtrans-70.8-39.5174.7-70.7164.9000112R260 S263 S275 I276 A282 L283 I292 Q295 L296R260-L279 HydrophobicContact CB-CD2 4.49Å; S263-L279 WeakPolarHBondContact OG-CG 3.23Å; S275-L279 WeakPolarHBondContact O-CB 3.49Å; S275-L279 WeakPolarHBondContact O-CD1 3.47Å; S275-L279 WeakPolarHBondContact O-CG 3.29Å; S275-L279 PolarHBondContact O-N 2.69Å; I276-L279 PolarHBondContact O-N 3.44Å; L279-A282 WeakPolarHBondContact O-CB 3.46Å; L279-A282 PolarHBondContact O-N 2.6Å; L279-L283 PolarHBondContact O-N 3.14Å; L279-I292 HydrophobicContact CB-CG2 4.11Å; L279-I292 HydrophobicContact CD2-CB 4.49Å; L279-I292 HydrophobicContact CD2-CG2 3.85Å; L279-Q295 HydrophobicContact CD1-CB 3.73Å; L279-Q295 HydrophobicContact CD2-CB 3.77Å; L279-Q295 HydrophobicContact CD2-CG 4.43Å; L279-Q295 HydrophobicContact CG-CB 4.44Å; L279-L296 HydrophobicContact CB-CD1 4.31Å; L279-L296 HydrophobicContact CB-CD2 3.57Å; L279-L296 HydrophobicContact CB-CG 3.71Å; L279-L296 HydrophobicContact CD1-CD2 3.84Å; L279-L296 HydrophobicContact CD1-CG 3.9Å; L279-L296 HydrophobicContact CG-CD2 4.34Å; L279-L296 HydrophobicContact CG-CG 4.37Å
280E96.6Very high94.6Very high93 Ų9356.6 Ų56.644%0.43527%0.271SS..Hα-helixtrans-62.9-43.4175.1-72.8175.6169.600111I276 E277 A282 L283 Q284 L296I276-E280 HydrophobicContact CG2-CG 4.21Å; I276-E280 WeakPolarHBondContact CG2-OE1 3.07Å; I276-E280 WeakPolarHBondContact O-CG 3.39Å; I276-E280 PolarHBondContact O-N 3.44Å; E277-E280 PolarHBondContact O-N 2.79Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.2Å; E280-L283 PolarHBondContact O-N 2.61Å; E280-Q284 PolarHBondContact O-N 3.11Å; E280-L296 HydrophobicContact CG-CD2 4.44Å
281R95.4Very high94.7Very high94 Ų9457.1 Ų57.136%0.35526%0.262SS..Hα-helixtrans-59.4-41.6170.5-74.3176.960-161.9-6.4112.2D254 M259 E277 L283 Q284D254-R281 IonicContact OD1-NH2 2.86Å; M259-R281 HydrophobicContact SD-CB 4.41Å; E277-R281 WeakPolarHBondContact O-CG 3.42Å; E277-R281 PolarHBondContact O-N 3.19Å; R281-L283 VanDerWaalsContact C-N 3.32Å; R281-L283 PolarHBondContact O-N 2.93Å; R281-Q284 WeakPolarHBondContact O-CB 3.39Å; R281-Q284 PolarHBondContact O-N 3.28Å
282A95.5Very high94.7Very high0 Ų054 Ų540%025%0.245CC..Hα-helixtrans-63.6-36.6176.600000112.3P256 M259 L278 L279 E280 Q284 R285 S286 I292P256-A282 HydrophobicContact CB-CB 4.14Å; M259-A282 HydrophobicContact CB-CB 3.84Å; M259-A282 HydrophobicContact CG-CB 4.46Å; M259-A282 HydrophobicContact SD-CB 3.73Å; L278-A282 WeakPolarHBondContact O-CB 3.32Å; L278-A282 PolarHBondContact O-N 2.99Å; L279-A282 WeakPolarHBondContact O-CB 3.46Å; L279-A282 PolarHBondContact O-N 2.6Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.2Å; A282-Q284 VanDerWaalsContact C-N 3.3Å; A282-Q284 PolarHBondContact O-N 3.28Å; A282-R285 PolarHBondContact O-N 2.95Å; A282-R285 VanDerWaalsContact O-N 3.15Å; A282-S286 PolarHBondContact O-N 2.97Å; A282-I292 HydrophobicContact CB-CD1 3.72Å
283L95.3Very high94.8Very high26 Ų2655.9 Ų55.914%0.13625%0.253CS..Hα-helixtrans-67.1-26.7175.2-74.6-178.4000113.5L279 E280 R281 R285 S286 K287 I292 Y293 L296L279-L283 PolarHBondContact O-N 3.14Å; E280-L283 PolarHBondContact O-N 2.61Å; R281-L283 VanDerWaalsContact C-N 3.32Å; R281-L283 PolarHBondContact O-N 2.93Å; L283-R285 PolarHBondContact O-N 2.72Å; L283-S286 WeakPolarHBondContact CD2-O 3.39Å; L283-S286 CarbonylContact O-C 3.6Å; L283-K287 VanDerWaalsContact O-CG 3.28Å; L283-K287 WeakPolarHBondContact O-CG 3.41Å; L283-I292 HydrophobicContact CD1-CG2 4.32Å; L283-I292 HydrophobicContact CD2-CB 3.95Å; L283-I292 HydrophobicContact CD2-CG2 3.52Å; L283-I292 HydrophobicContact CG-CG2 3.56Å; L283-Y293 HydrophobicContact CD1-CD1 4.13Å; L283-Y293 HydrophobicContact CD1-CE1 3.66Å; L283-Y293 HydrophobicContact CD2-CD2 4.17Å; L283-Y293 HydrophobicContact CD2-CE1 4.24Å; L283-Y293 HydrophobicContact CD2-CE2 3.78Å; L283-L296 HydrophobicContact CD1-CD1 3.5Å; L283-L296 VanDerWaalsContact CD1-CD1 3.5Å; L283-L296 HydrophobicContact CG-CD1 4.41Å
284Q93.4Very high94.8Very high143 Ų14351.2 Ų51.267%0.66823%0.231SC*.Hα-helixtrans-63-28173.1-64.6174.20.700111.9E280 R281 A282E280-Q284 PolarHBondContact O-N 3.11Å; R281-Q284 WeakPolarHBondContact O-CB 3.39Å; R281-Q284 PolarHBondContact O-N 3.28Å; A282-Q284 VanDerWaalsContact C-N 3.3Å; A282-Q284 PolarHBondContact O-N 3.28Å
285R90.3Very high94.8Very high128 Ų12845.2 Ų45.248%0.48321%0.205SC..Hα-helixtrans-94.4-40.3177.1-57.3-57.8-169-1733.6112.9D254 P256 A282 L283D254-R285 IonicContact OD2-CZ 3.06Å; D254-R285 IonicContact OD2-NE 2.92Å; D254-R285 IonicContact OD2-NH2 3.75Å; D254-R285 PolarHBondContact OD2-NH2 3.3Å; P256-R285 HydrophobicContact CG-CB 4.35Å; A282-R285 PolarHBondContact O-N 2.95Å; A282-R285 VanDerWaalsContact O-N 3.15Å; L283-R285 PolarHBondContact O-N 2.72Å
286S89.6Confident94.8Very high3 Ų345.4 Ų45.42%0.02121%0.206CC..  trans-126.491.3-178.4179.40000110.8E43 A282 L283 T288E43-S286 WeakPolarHBondContact OE1-CA 2.94Å; E43-S286 WeakPolarHBondContact OE1-CB 3.28Å; E43-S286 PolarHBondContact OE1-OG 3.18Å; E43-S286 PolarHBondContact OE2-OG 2.84Å; A282-S286 PolarHBondContact O-N 2.97Å; L283-S286 WeakPolarHBondContact CD2-O 3.39Å; L283-S286 CarbonylContact O-C 3.6Å; S286-T288 VanDerWaalsContact C-N 3.27Å; S286-T288 PolarHBondContact O-N 3.06Å
287K88.4Confident94.8Very high149 Ų14944.7 Ų44.765%0.64820%0.202SC*.THydrogen-bonded Turntrans-75.3-17-174.1-67.4-179.7-178.91780113.2E43 L283 Y293E43-K287 PolarHBondContact OE1-N 2.84Å; L283-K287 VanDerWaalsContact O-CG 3.28Å; L283-K287 WeakPolarHBondContact O-CG 3.41Å; K287-Y293 WeakPolarHBondContact O-CE2 3.29Å; K287-Y293 PolarHBondContact O-OH 3.1Å
288T87.4Confident94.8Very high47 Ų4741.1 Ų41.129%0.28819%0.186SC..THydrogen-bonded Turntrans-113.525.1-173.1480000112.7T39 E43 S286 A290 I335T39-T288 HydrophobicContact CG2-CG2 3.88Å; T39-T288 WeakPolarHBondContact CG2-OG1 3.23Å; E43-T288 PolarHBondContact OE1-N 3.1Å; E43-T288 PolarHBondContact OE1-OG1 2.96Å; E43-T288 PolarHBondContact OE2-OG1 3.5Å; S286-T288 VanDerWaalsContact C-N 3.27Å; S286-T288 PolarHBondContact O-N 3.06Å; T288-A290 PolarHBondContact O-N 3.35Å; T288-I335 WeakPolarHBondContact O-CG2 3.4Å
289S92.5Very high94.9Very high12 Ų1240.5 Ų40.58%0.08418%0.183CC..  trans-87.197.3177.2-163.30000112.6F291 I292 Y293S289-F291 PolarHBondContact O-N 3.38Å; S289-F291 VanDerWaalsContact O-N 3.1Å; S289-I292 PolarHBondContact O-N 3.31Å; S289-I292 WeakPolarHBondContact OG-CG1 3.48Å; S289-Y293 WeakPolarHBondContact O-CD2 3.47Å; S289-Y293 PolarHBondContact O-N 3.14Å
290A94.1Very high94.9Very high7 Ų741.9 Ų41.96%0.05819%0.188CC..Hα-helixtrans-52.8-33.3173.100000113.1T288 H294 A332 I335 K336 F339T288-A290 PolarHBondContact O-N 3.35Å; A290-H294 WeakPolarHBondContact O-CB 3.49Å; A290-H294 PolarHBondContact O-N 3.28Å; A290-A332 WeakPolarHBondContact CB-O 3.35Å; A290-A332 WeakPolarHBondContact O-CB 3.5Å; A290-I335 HydrophobicContact CB-CB 4.01Å; A290-I335 HydrophobicContact CB-CG2 3.74Å; A290-K336 HydrophobicContact CB-CB 3.56Å; A290-F339 HydrophobicContact CB-CD1 4.29Å
291F94.1Very high94.9Very high49 Ų4939.4 Ų39.422%0.21518%0.176CC..Hα-helixtrans-66.1-43.2177.3-175.3-89.9000111.9R260 Y261 S289 H294 Q295R260-F291 HydrophobicContact CB-CD1 3.88Å; R260-F291 HydrophobicContact CB-CE1 3.85Å; R260-F291 HydrophobicContact CG-CD1 3.88Å; R260-F291 HydrophobicContact CG-CE1 3.73Å; Y261-F291 HydrophobicContact CD1-CZ 4.41Å; Y261-F291 HydrophobicContact CE1-CE1 4.39Å; Y261-F291 HydrophobicContact CE1-CZ 4.07Å; S289-F291 PolarHBondContact O-N 3.38Å; S289-F291 VanDerWaalsContact O-N 3.1Å; F291-H294 PolarHBondContact O-N 3.13Å; F291-Q295 HydrophobicContact CD1-CG 3.78Å; F291-Q295 HydrophobicContact CE1-CG 3.43Å; F291-Q295 VanDerWaalsContact CE1-CG 3.43Å; F291-Q295 HydrophobicContact CZ-CG 3.91Å; F291-Q295 VanDerWaalsContact O-CG 3.3Å; F291-Q295 WeakPolarHBondContact O-CG 3.24Å; F291-Q295 PolarHBondContact O-N 2.82Å
292I96.8Very high95Very high0 Ų039.3 Ų39.30%018%0.176CC..Hα-helixtrans-65.6-45.3-179.1-66173.4000110.2P256 R260 L279 A282 L283 S289 H294 Q295 L296P256-I292 HydrophobicContact CB-CD1 4.32Å; R260-I292 HydrophobicContact CB-CG1 3.93Å; L279-I292 HydrophobicContact CB-CG2 4.11Å; L279-I292 HydrophobicContact CD2-CB 4.49Å; L279-I292 HydrophobicContact CD2-CG2 3.85Å; A282-I292 HydrophobicContact CB-CD1 3.72Å; L283-I292 HydrophobicContact CD1-CG2 4.32Å; L283-I292 HydrophobicContact CD2-CB 3.95Å; L283-I292 HydrophobicContact CD2-CG2 3.52Å; L283-I292 HydrophobicContact CG-CG2 3.56Å; S289-I292 PolarHBondContact O-N 3.31Å; S289-I292 WeakPolarHBondContact OG-CG1 3.48Å; I292-H294 VanDerWaalsContact C-N 3.35Å; I292-H294 PolarHBondContact O-N 3.18Å; I292-Q295 PolarHBondContact O-N 3.13Å; I292-Q295 VanDerWaalsContact O-N 3.11Å; I292-L296 PolarHBondContact O-N 3.2Å
293Y98.1Very high95Very high45 Ų4542 Ų4218%0.17619%0.188CC..Hα-helixtrans-58.9-43.2173.5-75-69000112.5L283 K287 S289 Q295 L296 G297 N328 K331 I335L283-Y293 HydrophobicContact CD1-CD1 4.13Å; L283-Y293 HydrophobicContact CD1-CE1 3.66Å; L283-Y293 HydrophobicContact CD2-CD2 4.17Å; L283-Y293 HydrophobicContact CD2-CE1 4.24Å; L283-Y293 HydrophobicContact CD2-CE2 3.78Å; K287-Y293 WeakPolarHBondContact O-CE2 3.29Å; K287-Y293 PolarHBondContact O-OH 3.1Å; S289-Y293 WeakPolarHBondContact O-CD2 3.47Å; S289-Y293 PolarHBondContact O-N 3.14Å; Y293-Q295 VanDerWaalsContact C-N 3.33Å; Y293-Q295 PolarHBondContact O-N 3.08Å; Y293-L296 WeakPolarHBondContact O-CB 3.47Å; Y293-L296 PolarHBondContact O-N 3.35Å; Y293-G297 PolarHBondContact O-N 2.93Å; Y293-N328 WeakPolarHBondContact CB-O 3.48Å; Y293-K331 HydrophobicContact CD1-CB 3.83Å; Y293-K331 HydrophobicContact CD1-CG 4.48Å; Y293-K331 HydrophobicContact CD2-CB 4.29Å; Y293-K331 HydrophobicContact CE1-CB 4.15Å; Y293-K331 HydrophobicContact CE1-CG 4.4Å; Y293-K331 HydrophobicContact CG-CB 3.91Å; Y293-I335 HydrophobicContact CD2-CD1 3.49Å; Y293-I335 VanDerWaalsContact CD2-CD1 3.49Å; Y293-I335 HydrophobicContact CE2-CD1 3.45Å; Y293-I335 VanDerWaalsContact CE2-CD1 3.45Å
294H97.8Very high95Very high10 Ų1040.9 Ų40.95%0.04618%0.181CC..Hα-helixtrans-60.1-43.1173.4177-112.5000111.9A290 F291 I292 L296 G297 L298 A332 F339 A342 D345A290-H294 WeakPolarHBondContact O-CB 3.49Å; A290-H294 PolarHBondContact O-N 3.28Å; F291-H294 PolarHBondContact O-N 3.13Å; I292-H294 VanDerWaalsContact C-N 3.35Å; I292-H294 PolarHBondContact O-N 3.18Å; H294-L296 VanDerWaalsContact C-N 3.34Å; H294-L296 PolarHBondContact O-N 2.99Å; H294-G297 PolarHBondContact O-N 3.12Å; H294-L298 WeakPolarHBondContact O-CG 3.46Å; H294-L298 PolarHBondContact O-N 3.39Å; H294-A332 HydrophobicContact CB-CB 4.08Å; H294-F339 HydrophobicContact CB-CE1 3.62Å; H294-F339 HydrophobicContact CB-CZ 4.09Å; H294-F339 AromaticContact CG-CE1 3.87Å; H294-F339 AromaticContact CG-CZ 3.85Å; H294-F339 AromaticContact ND1-CZ 3.7Å; H294-A342 HydrophobicContact CB-CB 4.41Å; H294-D345 IonicContact CD2-OD2 2.76Å; H294-D345 IonicContact CE1-OD2 2.71Å; H294-D345 IonicContact NE2-OD2 2.69Å; H294-D345 PolarHBondContact NE2-OD2 3.25Å
295Q97.9Very high95.1Very high5 Ų536.5 Ų36.52%0.02316%0.162CC..Hα-helixtrans-63.9-36.6176.6-65.3-48-80.600112.7R267 L279 F291 I292 Y293 L298 C299R267-Q295 PolarHBondContact NH1-O 3.46Å; R267-Q295 VanDerWaalsContact NH1-O 3.16Å; L279-Q295 HydrophobicContact CD1-CB 3.73Å; L279-Q295 HydrophobicContact CD2-CB 3.77Å; L279-Q295 HydrophobicContact CD2-CG 4.43Å; L279-Q295 HydrophobicContact CG-CB 4.44Å; F291-Q295 HydrophobicContact CD1-CG 3.78Å; F291-Q295 HydrophobicContact CE1-CG 3.43Å; F291-Q295 VanDerWaalsContact CE1-CG 3.43Å; F291-Q295 HydrophobicContact CZ-CG 3.91Å; F291-Q295 VanDerWaalsContact O-CG 3.3Å; F291-Q295 WeakPolarHBondContact O-CG 3.24Å; F291-Q295 PolarHBondContact O-N 2.82Å; I292-Q295 PolarHBondContact O-N 3.13Å; I292-Q295 VanDerWaalsContact O-N 3.11Å; Y293-Q295 VanDerWaalsContact C-N 3.33Å; Y293-Q295 PolarHBondContact O-N 3.08Å; Q295-L298 PolarHBondContact O-N 3.32Å; Q295-C299 PolarHBondContact O-N 3.32Å; Q295-C299 PolarHBondContact O-SG 3.48Å
296L98.1Very high95.3Very high4 Ų433 Ų332%0.02115%0.153CC..Hα-helixtrans-64.7-46.7173.2-80.6169.8000111I276 L279 E280 L283 I292 Y293 H294 L298 C299 Y300 N328I276-L296 HydrophobicContact CB-CD2 4.39Å; I276-L296 HydrophobicContact CG1-CD2 4.36Å; I276-L296 HydrophobicContact CG2-CD2 4.06Å; L279-L296 HydrophobicContact CB-CD1 4.31Å; L279-L296 HydrophobicContact CB-CD2 3.57Å; L279-L296 HydrophobicContact CB-CG 3.71Å; L279-L296 HydrophobicContact CD1-CD2 3.84Å; L279-L296 HydrophobicContact CD1-CG 3.9Å; L279-L296 HydrophobicContact CG-CD2 4.34Å; L279-L296 HydrophobicContact CG-CG 4.37Å; E280-L296 HydrophobicContact CG-CD2 4.44Å; L283-L296 HydrophobicContact CD1-CD1 3.5Å; L283-L296 VanDerWaalsContact CD1-CD1 3.5Å; L283-L296 HydrophobicContact CG-CD1 4.41Å; I292-L296 PolarHBondContact O-N 3.2Å; Y293-L296 WeakPolarHBondContact O-CB 3.47Å; Y293-L296 PolarHBondContact O-N 3.35Å; H294-L296 VanDerWaalsContact C-N 3.34Å; H294-L296 PolarHBondContact O-N 2.99Å; L296-L298 VanDerWaalsContact C-N 3.28Å; L296-L298 PolarHBondContact O-N 2.93Å; L296-C299 WeakPolarHBondContact O-CA 3.42Å; L296-C299 WeakPolarHBondContact O-CB 3.44Å; L296-C299 PolarHBondContact O-N 3.22Å; L296-Y300 HydrophobicContact CB-CE2 4.44Å; L296-Y300 HydrophobicContact CD2-CE2 4.43Å; L296-Y300 WeakPolarHBondContact O-CD2 3.33Å; L296-Y300 PolarHBondContact O-N 3.25Å; L296-N328 HydrophobicContact CB-CB 4.26Å
297G97.9Very high95.5Very high0 Ų034 Ų340%016%0.157CC..Hα-helixtrans-53.1-46.1173.700000112Y293 H294 C299 Y300 K301 C325Y293-G297 PolarHBondContact O-N 2.93Å; H294-G297 PolarHBondContact O-N 3.12Å; G297-C299 VanDerWaalsContact C-N 3.33Å; G297-C299 PolarHBondContact O-N 3.43Å; G297-Y300 PolarHBondContact O-N 3.13Å; G297-K301 WeakPolarHBondContact O-CB 3.35Å; G297-K301 PolarHBondContact O-N 3.48Å; G297-C325 PolarHBondContact O-SG 3.4Å
298L97.8Very high95.7Very high35 Ų3530.1 Ų30.118%0.18314%0.141CC..Hα-helixtrans-64-32.9174.9-67.2-176.7000113.8H294 Q295 L296 K301 R302H294-L298 WeakPolarHBondContact O-CG 3.46Å; H294-L298 PolarHBondContact O-N 3.39Å; Q295-L298 PolarHBondContact O-N 3.32Å; L296-L298 VanDerWaalsContact C-N 3.28Å; L296-L298 PolarHBondContact O-N 2.93Å; L298-K301 HydrophobicContact CD2-CD 4.33Å; L298-R302 WeakPolarHBondContact O-CB 3.34Å; L298-R302 PolarHBondContact O-N 3.01Å
299C98.1Very high96Very high0 Ų035.3 Ų35.30%016%0.156CC..Hα-helixtrans-66.6-48174.1-64.10000110.9I272 S275 I276 Q295 L296 G297 K301 R302 K303I272-C299 HydrophobicContact CG2-CB 3.81Å; S275-C299 PolarHBondContact OG-SG 3.31Å; S275-C299 VanDerWaalsContact OG-SG 3.37Å; I276-C299 HydrophobicContact CD1-CB 3.94Å; I276-C299 HydrophobicContact CG1-CB 3.52Å; Q295-C299 PolarHBondContact O-N 3.32Å; Q295-C299 PolarHBondContact O-SG 3.48Å; L296-C299 WeakPolarHBondContact O-CA 3.42Å; L296-C299 WeakPolarHBondContact O-CB 3.44Å; L296-C299 PolarHBondContact O-N 3.22Å; G297-C299 VanDerWaalsContact C-N 3.33Å; G297-C299 PolarHBondContact O-N 3.43Å; C299-K301 PolarHBondContact O-N 2.86Å; C299-R302 WeakPolarHBondContact O-CB 3.22Å; C299-R302 PolarHBondContact O-N 3.22Å; C299-R302 VanDerWaalsContact O-N 3.09Å; C299-K303 PolarHBondContact O-N 3.11Å
300Y98.2Very high96Very high30 Ų3039 Ų3912%0.11817%0.174CC..Hα-helixtrans-65.4-38.1177.1-69.5-67000112.5I276 L296 G297 R302 K303 K304 L321 Q324 N328I276-Y300 HydrophobicContact CD1-CD1 4.39Å; I276-Y300 HydrophobicContact CD1-CE1 4.06Å; L296-Y300 HydrophobicContact CB-CE2 4.44Å; L296-Y300 HydrophobicContact CD2-CE2 4.43Å; L296-Y300 WeakPolarHBondContact O-CD2 3.33Å; L296-Y300 PolarHBondContact O-N 3.25Å; G297-Y300 PolarHBondContact O-N 3.13Å; Y300-R302 VanDerWaalsContact C-N 3.26Å; Y300-R302 PolarHBondContact O-N 3.24Å; Y300-K303 PolarHBondContact O-N 3.2Å; Y300-K304 WeakPolarHBondContact O-CB 3.28Å; Y300-K304 PolarHBondContact O-N 3.47Å; Y300-L321 HydrophobicContact CD1-CD2 4.13Å; Y300-Q324 HydrophobicContact CD1-CB 3.79Å; Y300-Q324 HydrophobicContact CD1-CG 4.48Å; Y300-Q324 HydrophobicContact CD2-CB 4.04Å; Y300-Q324 HydrophobicContact CE1-CB 4.08Å; Y300-Q324 HydrophobicContact CE1-CG 4.4Å; Y300-Q324 HydrophobicContact CE2-CB 4.32Å; Y300-Q324 HydrophobicContact CG-CB 3.78Å; Y300-N328 WeakPolarHBondContact CE2-ND2 3.39Å
301K96.8Very high95.7Very high40 Ų4048.3 Ų48.317%0.17421%0.213CC..Hα-helixtrans-55.8-43.3169.8-175.1172.9178.61690111.1G297 L298 C299 K304 I305 D345 M349G297-K301 WeakPolarHBondContact O-CB 3.35Å; G297-K301 PolarHBondContact O-N 3.48Å; L298-K301 HydrophobicContact CD2-CD 4.33Å; C299-K301 PolarHBondContact O-N 2.86Å; K301-K304 WeakPolarHBondContact O-CB 3.31Å; K301-K304 PolarHBondContact O-N 3.43Å; K301-I305 HydrophobicContact CG-CD1 4.15Å; K301-I305 VanDerWaalsContact O-CG1 3.29Å; K301-I305 WeakPolarHBondContact O-CG1 3.43Å; K301-I305 PolarHBondContact O-N 2.91Å; K301-D345 IonicContact NZ-OD1 3.7Å; K301-D345 PolarHBondContact NZ-OD1 3.29Å; K301-M349 HydrophobicContact CD-CE 4.22Å; K301-M349 HydrophobicContact CD-SD 4.36Å; K301-M349 HydrophobicContact CG-CE 4.4Å; K301-M349 HydrophobicContact CG-SD 4.25Å
302R96.5Very high95.5Very high93 Ų9354.5 Ų54.535%0.35124%0.243SC..Hα-helixtrans-67.7-46.4178.1-176.356.8-172.9-147.9-2.5112.2I272 L298 C299 Y300 K304 I305 D306I272-R302 HydrophobicContact CD1-CB 4.17Å; I272-R302 HydrophobicContact CD1-CG 3.59Å; I272-R302 HydrophobicContact CG1-CG 4Å; L298-R302 WeakPolarHBondContact O-CB 3.34Å; L298-R302 PolarHBondContact O-N 3.01Å; C299-R302 WeakPolarHBondContact O-CB 3.22Å; C299-R302 PolarHBondContact O-N 3.22Å; C299-R302 VanDerWaalsContact O-N 3.09Å; Y300-R302 VanDerWaalsContact C-N 3.26Å; Y300-R302 PolarHBondContact O-N 3.24Å; R302-K304 VanDerWaalsContact C-N 3.27Å; R302-K304 PolarHBondContact O-N 2.88Å; R302-I305 PolarHBondContact O-N 3.2Å; R302-I305 VanDerWaalsContact O-N 3.12Å; R302-D306 WeakPolarHBondContact CD-OD2 3.16Å; R302-D306 WeakPolarHBondContact CG-OD2 3.23Å; R302-D306 IonicContact CZ-OD1 3.17Å; R302-D306 IonicContact CZ-OD2 2.65Å; R302-D306 VanDerWaalsContact NE-CG 3.33Å; R302-D306 IonicContact NE-OD1 2.67Å; R302-D306 PolarHBondContact NE-OD1 3.03Å; R302-D306 IonicContact NE-OD2 2.91Å; R302-D306 PolarHBondContact NE-OD2 3.17Å; R302-D306 IonicContact NH2-OD1 2.77Å; R302-D306 PolarHBondContact NH2-OD1 3.38Å; R302-D306 IonicContact NH2-OD2 3.98Å; R302-D306 PolarHBondContact O-N 3.05Å
303K96.4Very high95.2Very high57 Ų5759.2 Ų59.225%0.24826%0.261CS..Hα-helixtrans-56-43.1173.8-69-172.866.8131.80111.8I272 E273 I276 C299 Y300 D306 E307 L321I272-K303 HydrophobicContact CB-CG 4.35Å; I272-K303 HydrophobicContact CG2-CD 4.15Å; I272-K303 HydrophobicContact CG2-CG 3.66Å; E273-K303 WeakPolarHBondContact OE1-CE 3.37Å; E273-K303 IonicContact OE1-NZ 2.72Å; E273-K303 PolarHBondContact OE1-NZ 3.1Å; I276-K303 HydrophobicContact CD1-CD 3.67Å; C299-K303 PolarHBondContact O-N 3.11Å; Y300-K303 PolarHBondContact O-N 3.2Å; K303-D306 PolarHBondContact O-N 2.98Å; K303-E307 WeakPolarHBondContact O-CB 3.5Å; K303-E307 PolarHBondContact O-N 3.48Å; K303-L321 HydrophobicContact CB-CD1 4.11Å; K303-L321 HydrophobicContact CB-CD2 3.94Å; K303-L321 HydrophobicContact CD-CD2 4.4Å
304K96.1Very high95Very high1 Ų160.7 Ų60.70%0.00427%0.272CS..Hα-helixtrans-58.2-48.8175.7-177.9-164.569.283.50111.2Y300 K301 R302 E307 Q308 V318 L321 R322 E352Y300-K304 WeakPolarHBondContact O-CB 3.28Å; Y300-K304 PolarHBondContact O-N 3.47Å; K301-K304 WeakPolarHBondContact O-CB 3.31Å; K301-K304 PolarHBondContact O-N 3.43Å; R302-K304 VanDerWaalsContact C-N 3.27Å; R302-K304 PolarHBondContact O-N 2.88Å; K304-E307 PolarHBondContact O-N 3.01Å; K304-Q308 WeakPolarHBondContact O-CB 3.49Å; K304-Q308 VanDerWaalsContact O-CG 3.26Å; K304-Q308 WeakPolarHBondContact O-CG 3.41Å; K304-Q308 PolarHBondContact O-N 3.42Å; K304-V318 HydrophobicContact CG-CG1 3.95Å; K304-L321 HydrophobicContact CB-CB 3.95Å; K304-L321 HydrophobicContact CG-CB 4.5Å; K304-R322 HydrophobicContact CD-CB 4.01Å; K304-R322 HydrophobicContact CD-CG 4.45Å; K304-E352 VanDerWaalsContact CE-OE2 3.23Å; K304-E352 WeakPolarHBondContact CE-OE2 3.38Å; K304-E352 IonicContact NZ-OE1 3.31Å; K304-E352 PolarHBondContact NZ-OE1 3.14Å; K304-E352 IonicContact NZ-OE2 2.76Å; K304-E352 PolarHBondContact NZ-OE2 3.46Å
305I94.5Very high94.7Very high52 Ų5267.8 Ų67.827%0.26730%0.303SS..Hα-helixtrans-63.6-43.2179.3-69.3164.4000111.1K301 R302 E307 Q308 R309K301-I305 HydrophobicContact CG-CD1 4.15Å; K301-I305 VanDerWaalsContact O-CG1 3.29Å; K301-I305 WeakPolarHBondContact O-CG1 3.43Å; K301-I305 PolarHBondContact O-N 2.91Å; R302-I305 PolarHBondContact O-N 3.2Å; R302-I305 VanDerWaalsContact O-N 3.12Å; I305-E307 VanDerWaalsContact C-N 3.35Å; I305-Q308 PolarHBondContact O-N 2.98Å; I305-R309 WeakPolarHBondContact O-CG 3.38Å; I305-R309 PolarHBondContact O-N 3.41Å; I305-R309 VanDerWaalsContact O-N 3.15Å
306D93.6Very high94.6Very high54 Ų5474.9 Ų74.929%0.28934%0.336SS..Hα-helixtrans-67.9-36.2-179.1-67.9-26.2000111.4R302 K303 R309R302-D306 WeakPolarHBondContact CD-OD2 3.16Å; R302-D306 WeakPolarHBondContact CG-OD2 3.23Å; R302-D306 IonicContact CZ-OD1 3.17Å; R302-D306 IonicContact CZ-OD2 2.65Å; R302-D306 VanDerWaalsContact NE-CG 3.33Å; R302-D306 IonicContact NE-OD1 2.67Å; R302-D306 PolarHBondContact NE-OD1 3.03Å; R302-D306 IonicContact NE-OD2 2.91Å; R302-D306 PolarHBondContact NE-OD2 3.17Å; R302-D306 IonicContact NH2-OD1 2.77Å; R302-D306 PolarHBondContact NH2-OD1 3.38Å; R302-D306 IonicContact NH2-OD2 3.98Å; R302-D306 PolarHBondContact O-N 3.05Å; K303-D306 PolarHBondContact O-N 2.98Å; D306-R309 PolarHBondContact O-N 3.22Å; D306-R309 IonicContact OD1-CZ 2.9Å; D306-R309 IonicContact OD1-NH1 2.89Å; D306-R309 PolarHBondContact OD1-NH1 2.92Å
307E94.1Very high94.5Very high23 Ų2378.8 Ų78.811%0.10735%0.353CS..Hα-helixtrans-61.7-47.4169.6-173.465.7-15400111.4K303 K304 I305 R309 L310 Y313 D314 K317 V318 L321K303-E307 WeakPolarHBondContact O-CB 3.5Å; K303-E307 PolarHBondContact O-N 3.48Å; K304-E307 PolarHBondContact O-N 3.01Å; I305-E307 VanDerWaalsContact C-N 3.35Å; E307-R309 PolarHBondContact O-N 2.75Å; E307-R309 VanDerWaalsContact O-N 3.14Å; E307-L310 VanDerWaalsContact O-CB 3.32Å; E307-L310 WeakPolarHBondContact O-CB 3.41Å; E307-L310 WeakPolarHBondContact O-CG 3.43Å; E307-L310 PolarHBondContact O-N 2.79Å; E307-Y313 WeakPolarHBondContact O-CB 3.42Å; E307-D314 PolarHBondContact OE1-N 3.32Å; E307-K317 HydrophobicContact CG-CD 4.26Å; E307-K317 HydrophobicContact CG-CG 4.39Å; E307-K317 IonicContact OE1-NZ 3.85Å; E307-K317 VanDerWaalsContact OE2-CE 3.23Å; E307-K317 WeakPolarHBondContact OE2-CE 3.36Å; E307-K317 IonicContact OE2-NZ 2.69Å; E307-K317 PolarHBondContact OE2-NZ 3.37Å; E307-V318 HydrophobicContact CB-CG2 4.09Å; E307-V318 HydrophobicContact CG-CG2 3.64Å; E307-L321 HydrophobicContact CB-CD1 4.25Å
308Q93.1Very high94.4Very high68 Ų6879 Ų7932%0.31835%0.354SS..Hα-helixtrans-62.5-20.7179.6-74.1176.8-55.600114K304 I305 L310 V318K304-Q308 WeakPolarHBondContact O-CB 3.49Å; K304-Q308 VanDerWaalsContact O-CG 3.26Å; K304-Q308 WeakPolarHBondContact O-CG 3.41Å; K304-Q308 PolarHBondContact O-N 3.42Å; I305-Q308 PolarHBondContact O-N 2.98Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; Q308-V318 HydrophobicContact CG-CB 4.47Å; Q308-V318 HydrophobicContact CG-CG1 3.84Å; Q308-V318 HydrophobicContact CG-CG2 3.68Å
309R93.9Very high94.3Very high157 Ų15780.9 Ų80.959%0.59236%0.362SS*.THydrogen-bonded Turntrans-79.9-13.5176.9-73.9173.2-178.4159.96.6113.4I305 D306 E307I305-R309 WeakPolarHBondContact O-CG 3.38Å; I305-R309 PolarHBondContact O-N 3.41Å; I305-R309 VanDerWaalsContact O-N 3.15Å; D306-R309 PolarHBondContact O-N 3.22Å; D306-R309 IonicContact OD1-CZ 2.9Å; D306-R309 IonicContact OD1-NH1 2.89Å; D306-R309 PolarHBondContact OD1-NH1 2.92Å; E307-R309 PolarHBondContact O-N 2.75Å; E307-R309 VanDerWaalsContact O-N 3.14Å
310L92.8Very high94.2Very high90 Ų9086.6 Ų86.647%0.47139%0.389SS..SBendtrans-66.7141176.3-59.1176.4000109.8E307 Q308 H312E307-L310 VanDerWaalsContact O-CB 3.32Å; E307-L310 WeakPolarHBondContact O-CB 3.41Å; E307-L310 WeakPolarHBondContact O-CG 3.43Å; E307-L310 PolarHBondContact O-N 2.79Å; Q308-L310 VanDerWaalsContact C-N 3.32Å; L310-H312 PolarHBondContact O-N 3.43Å
311K87.1Confident94.2Very high202 Ų20286 Ų8688%0.87839%0.387SS*.THydrogen-bonded Turntrans-56.3-35.8177.9-71.1-174.6178.7-179.10112.4
312H89.4Confident94.2Very high179 Ų17985.3 Ų85.383%0.82938%0.384SS*.THydrogen-bonded Turntrans-125.877.3176.2-59.4-66.4000108.7L310L310-H312 PolarHBondContact O-N 3.43Å
313Y91.1Very high94.2Very high98 Ų9883.6 Ų83.638%0.38439%0.386SS..  trans-81.2147.2179.175-94.2000111.8E307 K315 V318E307-Y313 WeakPolarHBondContact O-CB 3.42Å; Y313-K315 HydrophobicContact CD2-CG 4.43Å; Y313-K315 HydrophobicContact CE2-CG 3.72Å; Y313-K315 PolarHBondContact O-N 2.69Å; Y313-V318 HydrophobicContact CD2-CG2 3.63Å; Y313-V318 HydrophobicContact CE2-CG2 4.13Å
314D93.1Very high94.3Very high77 Ų7784.1 Ų84.141%0.41239%0.389SS..  trans-83.4113.2175.5177.7-2.3000110.5E307 Q316 K317 V318E307-D314 PolarHBondContact OE1-N 3.32Å; D314-Q316 VanDerWaalsContact C-N 3.29Å; D314-Q316 PolarHBondContact O-N 3.47Å; D314-Q316 WeakPolarHBondContact OD1-CA 3.17Å; D314-Q316 WeakPolarHBondContact OD1-CB 3.29Å; D314-Q316 PolarHBondContact OD1-N 2.96Å; D314-K317 HydrophobicContact CB-CB 3.76Å; D314-K317 PolarHBondContact O-N 3.28Å; D314-K317 PolarHBondContact OD1-N 3.47Å; D314-V318 WeakPolarHBondContact O-CG2 3.4Å; D314-V318 PolarHBondContact O-N 3.37Å
315K92.5Very high94.4Very high158 Ų15884 Ų8469%0.68739%0.389SS*.Hα-helixtrans-60.2-37.5177.7-71.4-179179.1178.10112.5Y313 V318 Q319Y313-K315 HydrophobicContact CD2-CG 4.43Å; Y313-K315 HydrophobicContact CE2-CG 3.72Å; Y313-K315 PolarHBondContact O-N 2.69Å; K315-V318 PolarHBondContact O-N 3.07Å; K315-Q319 WeakPolarHBondContact O-CB 3.11Å; K315-Q319 PolarHBondContact O-N 2.93Å
316Q95.1Very high94.6Very high154 Ų15482.2 Ų82.272%0.7238%0.379SS*.Hα-helixtrans-68.2-43.4179.5-175.7177.8-5.500110.3D314 Q319 Q320D314-Q316 VanDerWaalsContact C-N 3.29Å; D314-Q316 PolarHBondContact O-N 3.47Å; D314-Q316 WeakPolarHBondContact OD1-CA 3.17Å; D314-Q316 WeakPolarHBondContact OD1-CB 3.29Å; D314-Q316 PolarHBondContact OD1-N 2.96Å; Q316-Q319 WeakPolarHBondContact O-CB 3.15Å; Q316-Q319 PolarHBondContact O-N 3.09Å; Q316-Q320 PolarHBondContact O-N 3.15Å
317K95.8Very high94.8Very high86 Ų8683.5 Ų83.537%0.37439%0.386SS..Hα-helixtrans-63-42.2174.5-171.9174.5174.6-161.20112.4E307 D314 Q319 Q320 L321E307-K317 HydrophobicContact CG-CD 4.26Å; E307-K317 HydrophobicContact CG-CG 4.39Å; E307-K317 IonicContact OE1-NZ 3.85Å; E307-K317 VanDerWaalsContact OE2-CE 3.23Å; E307-K317 WeakPolarHBondContact OE2-CE 3.36Å; E307-K317 IonicContact OE2-NZ 2.69Å; E307-K317 PolarHBondContact OE2-NZ 3.37Å; D314-K317 HydrophobicContact CB-CB 3.76Å; D314-K317 PolarHBondContact O-N 3.28Å; D314-K317 PolarHBondContact OD1-N 3.47Å; K317-Q319 VanDerWaalsContact C-N 3.32Å; K317-Q319 PolarHBondContact O-N 2.97Å; K317-Q320 PolarHBondContact O-N 3.47Å; K317-L321 HydrophobicContact CG-CD1 4.15Å; K317-L321 WeakPolarHBondContact O-CB 3.22Å; K317-L321 VanDerWaalsContact O-CG 3.26Å; K317-L321 WeakPolarHBondContact O-CG 3.36Å; K317-L321 PolarHBondContact O-N 3.43Å
318V95.9Very high95Very high5 Ų583.1 Ų83.13%0.0339%0.385CS..Hα-helixtrans-60.1-42.8173.8168.50000111.1K304 E307 Q308 Y313 D314 K315 L321 R322K304-V318 HydrophobicContact CG-CG1 3.95Å; E307-V318 HydrophobicContact CB-CG2 4.09Å; E307-V318 HydrophobicContact CG-CG2 3.64Å; Q308-V318 HydrophobicContact CG-CB 4.47Å; Q308-V318 HydrophobicContact CG-CG1 3.84Å; Q308-V318 HydrophobicContact CG-CG2 3.68Å; Y313-V318 HydrophobicContact CD2-CG2 3.63Å; Y313-V318 HydrophobicContact CE2-CG2 4.13Å; D314-V318 WeakPolarHBondContact O-CG2 3.4Å; D314-V318 PolarHBondContact O-N 3.37Å; K315-V318 PolarHBondContact O-N 3.07Å; V318-L321 PolarHBondContact O-N 3.14Å; V318-R322 WeakPolarHBondContact O-CB 3.45Å; V318-R322 PolarHBondContact O-N 3.28Å
319Q95.8Very high95.2Very high74 Ų7479.9 Ų79.935%0.34637%0.369SS..Hα-helixtrans-62.8-46.7175.8-173.462.125.300111.5K315 Q316 K317 L321 R322 S323 D353K315-Q319 WeakPolarHBondContact O-CB 3.11Å; K315-Q319 PolarHBondContact O-N 2.93Å; Q316-Q319 WeakPolarHBondContact O-CB 3.15Å; Q316-Q319 PolarHBondContact O-N 3.09Å; K317-Q319 VanDerWaalsContact C-N 3.32Å; K317-Q319 PolarHBondContact O-N 2.97Å; Q319-L321 VanDerWaalsContact C-N 3.34Å; Q319-L321 PolarHBondContact O-N 2.95Å; Q319-R322 WeakPolarHBondContact O-CB 3.49Å; Q319-R322 PolarHBondContact O-N 3.36Å; Q319-R322 VanDerWaalsContact O-N 3.14Å; Q319-S323 PolarHBondContact O-N 3.09Å; Q319-S323 PolarHBondContact O-OG 2.96Å; Q319-D353 PolarHBondContact NE2-OD1 3.34Å
320Q96.9Very high95.4Very high121 Ų12175.3 Ų75.357%0.56536%0.355SS*.Hα-helixtrans-59.1-45177.8-174.2-176.46.900111.7Q316 K317 R322 S323 Q324Q316-Q320 PolarHBondContact O-N 3.15Å; K317-Q320 PolarHBondContact O-N 3.47Å; Q320-R322 VanDerWaalsContact C-N 3.32Å; Q320-R322 PolarHBondContact O-N 3.37Å; Q320-S323 PolarHBondContact O-N 3.33Å; Q320-Q324 WeakPolarHBondContact O-CG 3.46Å; Q320-Q324 PolarHBondContact O-N 2.9Å
321L97.6Very high95.6Very high16 Ų1674.6 Ų74.68%0.08435%0.348CS..Hα-helixtrans-65.2-35.8176.9-68.8168.9000111.9Y300 K303 K304 E307 K317 V318 Q319 Q324 C325Y300-L321 HydrophobicContact CD1-CD2 4.13Å; K303-L321 HydrophobicContact CB-CD1 4.11Å; K303-L321 HydrophobicContact CB-CD2 3.94Å; K303-L321 HydrophobicContact CD-CD2 4.4Å; K304-L321 HydrophobicContact CB-CB 3.95Å; K304-L321 HydrophobicContact CG-CB 4.5Å; E307-L321 HydrophobicContact CB-CD1 4.25Å; K317-L321 HydrophobicContact CG-CD1 4.15Å; K317-L321 WeakPolarHBondContact O-CB 3.22Å; K317-L321 VanDerWaalsContact O-CG 3.26Å; K317-L321 WeakPolarHBondContact O-CG 3.36Å; K317-L321 PolarHBondContact O-N 3.43Å; V318-L321 PolarHBondContact O-N 3.14Å; Q319-L321 VanDerWaalsContact C-N 3.34Å; Q319-L321 PolarHBondContact O-N 2.95Å; L321-Q324 PolarHBondContact O-N 3.35Å; L321-C325 WeakPolarHBondContact O-CB 3.44Å; L321-C325 PolarHBondContact O-N 3.01Å
322R96.9Very high96Very high26 Ų2665 Ų6510%0.09831%0.306CS..Hα-helixtrans-63.6-47172.7-173.4-178.3-63.7119.1-2.8111.2K304 V318 Q319 Q320 Q324 C325 I326 E352 D353K304-R322 HydrophobicContact CD-CB 4.01Å; K304-R322 HydrophobicContact CD-CG 4.45Å; V318-R322 WeakPolarHBondContact O-CB 3.45Å; V318-R322 PolarHBondContact O-N 3.28Å; Q319-R322 WeakPolarHBondContact O-CB 3.49Å; Q319-R322 PolarHBondContact O-N 3.36Å; Q319-R322 VanDerWaalsContact O-N 3.14Å; Q320-R322 VanDerWaalsContact C-N 3.32Å; Q320-R322 PolarHBondContact O-N 3.37Å; R322-Q324 VanDerWaalsContact C-N 3.32Å; R322-Q324 PolarHBondContact O-N 3.43Å; R322-C325 VanDerWaalsContact O-CB 3.3Å; R322-C325 WeakPolarHBondContact O-CB 3.36Å; R322-C325 PolarHBondContact O-N 3.03Å; R322-C325 VanDerWaalsContact O-N 3.1Å; R322-I326 HydrophobicContact CG-CD1 3.99Å; R322-I326 HydrophobicContact CG-CG1 4.48Å; R322-I326 WeakPolarHBondContact O-CG1 3.41Å; R322-I326 PolarHBondContact O-N 3.4Å; R322-E352 IonicContact CZ-OE2 4Å; R322-E352 IonicContact NE-OE2 3.47Å; R322-E352 PolarHBondContact NE-OE2 3.37Å; R322-E352 IonicContact NH2-OE2 3.86Å; R322-E352 PolarHBondContact NH2-OE2 2.89Å; R322-D353 WeakPolarHBondContact CD-OD1 3.36Å; R322-D353 IonicContact NH1-OD1 2.74Å
323S97.4Very high96.3Very high57 Ų5757.2 Ų57.240%0.39927%0.271SS..Hα-helixtrans-60.7-40.5177.5-57.30000112.1Q319 Q320 C325 I326 L327Q319-S323 PolarHBondContact O-N 3.09Å; Q319-S323 PolarHBondContact O-OG 2.96Å; Q320-S323 PolarHBondContact O-N 3.33Å; S323-C325 VanDerWaalsContact C-N 3.34Å; S323-C325 PolarHBondContact O-N 3.36Å; S323-I326 PolarHBondContact O-N 3.05Å; S323-L327 WeakPolarHBondContact O-CB 3.24Å; S323-L327 PolarHBondContact O-N 3.35Å
324Q97.8Very high96.3Very high68 Ų6858.6 Ų58.632%0.31828%0.281SS..Hα-helixtrans-63.5-39.1173.8-70.2-65.2-3100112.4Y300 Q320 L321 R322 N328Y300-Q324 HydrophobicContact CD1-CB 3.79Å; Y300-Q324 HydrophobicContact CD1-CG 4.48Å; Y300-Q324 HydrophobicContact CD2-CB 4.04Å; Y300-Q324 HydrophobicContact CE1-CB 4.08Å; Y300-Q324 HydrophobicContact CE1-CG 4.4Å; Y300-Q324 HydrophobicContact CE2-CB 4.32Å; Y300-Q324 HydrophobicContact CG-CB 3.78Å; Q320-Q324 WeakPolarHBondContact O-CG 3.46Å; Q320-Q324 PolarHBondContact O-N 2.9Å; L321-Q324 PolarHBondContact O-N 3.35Å; R322-Q324 VanDerWaalsContact C-N 3.32Å; R322-Q324 PolarHBondContact O-N 3.43Å; Q324-N328 PolarHBondContact O-N 3.33Å; Q324-N328 PolarHBondContact O-ND2 3.02Å
325C98.2Very high96.3Very high0 Ų056.7 Ų56.70%027%0.271CS..Hα-helixtrans-61.7-50.9174-175.60000111.4G297 L321 R322 S323 L327 N328 L329 M349G297-C325 PolarHBondContact O-SG 3.4Å; L321-C325 WeakPolarHBondContact O-CB 3.44Å; L321-C325 PolarHBondContact O-N 3.01Å; R322-C325 VanDerWaalsContact O-CB 3.3Å; R322-C325 WeakPolarHBondContact O-CB 3.36Å; R322-C325 PolarHBondContact O-N 3.03Å; R322-C325 VanDerWaalsContact O-N 3.1Å; S323-C325 VanDerWaalsContact C-N 3.34Å; S323-C325 PolarHBondContact O-N 3.36Å; C325-L327 PolarHBondContact O-N 2.71Å; C325-N328 PolarHBondContact O-N 3Å; C325-L329 WeakPolarHBondContact O-CB 3.47Å; C325-L329 VanDerWaalsContact O-CG 3.27Å; C325-L329 WeakPolarHBondContact O-CG 3.44Å; C325-L329 PolarHBondContact O-N 3.09Å; C325-L329 VanDerWaalsContact SG-CD1 3.59Å; C325-M349 HydrophobicContact CB-SD 4.45Å; C325-M349 VanDerWaalsContact SG-SD 3.66Å
326I98.2Very high96.1Very high13 Ų1351.2 Ų51.27%0.06725%0.247CC..Hα-helixtrans-57.7-51.2179.5-69.8170.8000110.4R322 S323 N328 L329 E330 L346 M349 Y350 D353R322-I326 HydrophobicContact CG-CD1 3.99Å; R322-I326 HydrophobicContact CG-CG1 4.48Å; R322-I326 WeakPolarHBondContact O-CG1 3.41Å; R322-I326 PolarHBondContact O-N 3.4Å; S323-I326 PolarHBondContact O-N 3.05Å; I326-N328 VanDerWaalsContact C-N 3.31Å; I326-N328 PolarHBondContact O-N 3.32Å; I326-L329 CarbonylContact O-C 3.48Å; I326-L329 PolarHBondContact O-N 2.91Å; I326-E330 HydrophobicContact CG2-CG 4.06Å; I326-E330 WeakPolarHBondContact O-CB 3.42Å; I326-E330 WeakPolarHBondContact O-CG 3.15Å; I326-E330 PolarHBondContact O-N 3.49Å; I326-L346 HydrophobicContact CG2-CD1 4.03Å; I326-M349 HydrophobicContact CD1-CB 4.33Å; I326-M349 HydrophobicContact CG1-CB 3.68Å; I326-Y350 HydrophobicContact CD1-CD1 4.2Å; I326-Y350 HydrophobicContact CG2-CD1 4.34Å; I326-Y350 HydrophobicContact CG2-CE1 3.66Å; I326-D353 HydrophobicContact CD1-CB 4.17Å
327L98Very high95.8Very high82 Ų8246.5 Ų46.543%0.42923%0.23SC..Hα-helixtrans-54.4-45.8-179.3178.467.4000112.6S323 C325 K331S323-L327 WeakPolarHBondContact O-CB 3.24Å; S323-L327 PolarHBondContact O-N 3.35Å; C325-L327 PolarHBondContact O-N 2.71Å; L327-K331 WeakPolarHBondContact O-CG 3.47Å; L327-K331 PolarHBondContact O-N 3.23Å
328N98.1Very high95.2Very high14 Ų1444.4 Ų44.48%0.07523%0.226CC..Hα-helixtrans-69.8-36.8179.4-79.5-77.3000111.9Y293 L296 Y300 Q324 C325 I326 K331 A332Y293-N328 WeakPolarHBondContact CB-O 3.48Å; L296-N328 HydrophobicContact CB-CB 4.26Å; Y300-N328 WeakPolarHBondContact CE2-ND2 3.39Å; Q324-N328 PolarHBondContact O-N 3.33Å; Q324-N328 PolarHBondContact O-ND2 3.02Å; C325-N328 PolarHBondContact O-N 3Å; I326-N328 VanDerWaalsContact C-N 3.31Å; I326-N328 PolarHBondContact O-N 3.32Å; N328-K331 PolarHBondContact O-N 3.44Å; N328-A332 PolarHBondContact O-N 3.25Å
329L98.1Very high94.8Very high0 Ų045.7 Ų45.70%023%0.231CC..Hα-helixtrans-70.9-39176.6-68.5172.7000112.3C325 I326 A332 V333 D345 L346 M349C325-L329 WeakPolarHBondContact O-CB 3.47Å; C325-L329 VanDerWaalsContact O-CG 3.27Å; C325-L329 WeakPolarHBondContact O-CG 3.44Å; C325-L329 PolarHBondContact O-N 3.09Å; C325-L329 VanDerWaalsContact SG-CD1 3.59Å; I326-L329 CarbonylContact O-C 3.48Å; I326-L329 PolarHBondContact O-N 2.91Å; L329-A332 WeakPolarHBondContact O-CB 3.47Å; L329-A332 PolarHBondContact O-N 2.89Å; L329-V333 WeakPolarHBondContact O-CG2 3.41Å; L329-V333 PolarHBondContact O-N 3.45Å; L329-D345 HydrophobicContact CD1-CB 4.01Å; L329-D345 HydrophobicContact CD2-CB 4.04Å; L329-L346 HydrophobicContact CB-CB 4.03Å; L329-L346 HydrophobicContact CB-CD1 3.94Å; L329-L346 HydrophobicContact CB-CG 4.47Å; L329-M349 HydrophobicContact CD1-CG 3.85Å
330E97.4Very high94.5Very high61 Ų6143.1 Ų43.129%0.28522%0.22SC..Hα-helixtrans-56.7-49.4171.1-74.8174.4163.300110.2I326 A332 V333 E334 L346 Y350 R358I326-E330 HydrophobicContact CG2-CG 4.06Å; I326-E330 WeakPolarHBondContact O-CB 3.42Å; I326-E330 WeakPolarHBondContact O-CG 3.15Å; I326-E330 PolarHBondContact O-N 3.49Å; E330-A332 VanDerWaalsContact C-N 3.3Å; E330-A332 PolarHBondContact O-N 3.28Å; E330-V333 PolarHBondContact O-N 3.17Å; E330-V333 VanDerWaalsContact O-N 3.14Å; E330-E334 WeakPolarHBondContact O-CB 3.31Å; E330-E334 PolarHBondContact O-N 3.26Å; E330-L346 HydrophobicContact CG-CD1 3.93Å; E330-L346 HydrophobicContact CG-CD2 4.12Å; E330-Y350 PolarHBondContact OE1-OH 2.84Å; E330-R358 IonicContact OE1-NH1 3.53Å; E330-R358 PolarHBondContact OE1-NH1 3.12Å
331K96.9Very high94.1Very high76 Ų7640.4 Ų40.433%0.3321%0.209SC..Hα-helixtrans-59-39.7175.8-75-73.4162.7-1530112.8Y293 L327 N328 E334 I335Y293-K331 HydrophobicContact CD1-CB 3.83Å; Y293-K331 HydrophobicContact CD1-CG 4.48Å; Y293-K331 HydrophobicContact CD2-CB 4.29Å; Y293-K331 HydrophobicContact CE1-CB 4.15Å; Y293-K331 HydrophobicContact CE1-CG 4.4Å; Y293-K331 HydrophobicContact CG-CB 3.91Å; L327-K331 WeakPolarHBondContact O-CG 3.47Å; L327-K331 PolarHBondContact O-N 3.23Å; N328-K331 PolarHBondContact O-N 3.44Å; K331-E334 WeakPolarHBondContact CD-OE2 3.29Å; K331-E334 WeakPolarHBondContact CE-OE2 3.48Å; K331-E334 IonicContact NZ-OE1 2.8Å; K331-E334 PolarHBondContact NZ-OE1 3.47Å; K331-E334 IonicContact NZ-OE2 3.36Å; K331-E334 PolarHBondContact NZ-OE2 3.25Å; K331-I335 WeakPolarHBondContact O-CB 3.42Å; K331-I335 WeakPolarHBondContact O-CD1 3.26Å; K331-I335 VanDerWaalsContact O-CG1 3.25Å; K331-I335 WeakPolarHBondContact O-CG1 3.25Å; K331-I335 PolarHBondContact O-N 3.03Å
332A96.4Very high94Very high0 Ų039.6 Ų39.60%021%0.205CC..Hα-helixtrans-63.6-41.1176.500000112.5A290 H294 N328 L329 E330 K336 A342A290-A332 WeakPolarHBondContact CB-O 3.35Å; A290-A332 WeakPolarHBondContact O-CB 3.5Å; H294-A332 HydrophobicContact CB-CB 4.08Å; N328-A332 PolarHBondContact O-N 3.25Å; L329-A332 WeakPolarHBondContact O-CB 3.47Å; L329-A332 PolarHBondContact O-N 2.89Å; E330-A332 VanDerWaalsContact C-N 3.3Å; E330-A332 PolarHBondContact O-N 3.28Å; A332-K336 PolarHBondContact O-N 3.25Å; A332-A342 HydrophobicContact CB-CB 4.2Å
333V94.3Very high93.9Very high16 Ų1639.4 Ų39.410%0.09720%0.204CC..Hα-helixtrans-75-36.4179.7174.70000111.9L329 E330 K336 P337 A342 R343 L346L329-V333 WeakPolarHBondContact O-CG2 3.41Å; L329-V333 PolarHBondContact O-N 3.45Å; E330-V333 PolarHBondContact O-N 3.17Å; E330-V333 VanDerWaalsContact O-N 3.14Å; V333-K336 CarbonylContact O-C 3.52Å; V333-K336 PolarHBondContact O-N 3.21Å; V333-P337 WeakPolarHBondContact O-CA 3.46Å; V333-P337 VanDerWaalsContact O-N 3.14Å; V333-A342 HydrophobicContact CG2-CB 4.13Å; V333-R343 HydrophobicContact CG2-CB 4.08Å; V333-L346 HydrophobicContact CG2-CD2 4.19Å
334E93.1Very high93.7Very high127 Ų12737 Ų3759%0.59319%0.187SC*.Hα-helixtrans-59.9-50.5173.8-177.5-171.8164.700110.6E330 K331E330-E334 WeakPolarHBondContact O-CB 3.31Å; E330-E334 PolarHBondContact O-N 3.26Å; K331-E334 WeakPolarHBondContact CD-OE2 3.29Å; K331-E334 WeakPolarHBondContact CE-OE2 3.48Å; K331-E334 IonicContact NZ-OE1 2.8Å; K331-E334 PolarHBondContact NZ-OE1 3.47Å; K331-E334 IonicContact NZ-OE2 3.36Å; K331-E334 PolarHBondContact NZ-OE2 3.25Å
335I91.5Very high93.6Very high36 Ų3634.8 Ų34.819%0.18518%0.177CC..Hα-helixtrans-66.9-40.7179.5-68.9165.8000111.3N36 T288 A290 Y293 K331N36-I335 PolarHBondContact ND2-O 3.25Å; T288-I335 WeakPolarHBondContact O-CG2 3.4Å; A290-I335 HydrophobicContact CB-CB 4.01Å; A290-I335 HydrophobicContact CB-CG2 3.74Å; Y293-I335 HydrophobicContact CD2-CD1 3.49Å; Y293-I335 VanDerWaalsContact CD2-CD1 3.49Å; Y293-I335 HydrophobicContact CE2-CD1 3.45Å; Y293-I335 VanDerWaalsContact CE2-CD1 3.45Å; K331-I335 WeakPolarHBondContact O-CB 3.42Å; K331-I335 WeakPolarHBondContact O-CD1 3.26Å; K331-I335 VanDerWaalsContact O-CG1 3.25Å; K331-I335 WeakPolarHBondContact O-CG1 3.25Å; K331-I335 PolarHBondContact O-N 3.03Å
336K89.5Confident93.6Very high44 Ų4434.9 Ų34.919%0.19118%0.178CC..  trans-131.989.3-177.8-169.5178.4174.5168.30111.7E33 A290 A332 V333 S338 F339E33-K336 VanDerWaalsContact OE2-CG 3.32Å; E33-K336 WeakPolarHBondContact OE2-CG 3.5Å; A290-K336 HydrophobicContact CB-CB 3.56Å; A332-K336 PolarHBondContact O-N 3.25Å; V333-K336 CarbonylContact O-C 3.52Å; V333-K336 PolarHBondContact O-N 3.21Å; K336-S338 VanDerWaalsContact C-N 3.25Å; K336-S338 WeakPolarHBondContact CE-OG 3.37Å; K336-S338 PolarHBondContact O-N 3.49Å; K336-F339 HydrophobicContact CB-CB 4.12Å; K336-F339 HydrophobicContact CD-CB 4.07Å; K336-F339 HydrophobicContact CD-CG 4.48Å; K336-F339 HydrophobicContact CG-CB 4.03Å; K336-F339 VanDerWaalsContact O-CB 3.22Å; K336-F339 WeakPolarHBondContact O-CB 3.5Å; K336-F339 PolarHBondContact O-N 3.45Å
337P87.6Confident93.5Very high55 Ų5534.3 Ų34.336%0.35717%0.174SC..THydrogen-bonded Turntrans-62.4-24179.1-26.836.7000114.5V333 F339 R343V333-P337 WeakPolarHBondContact O-CA 3.46Å; V333-P337 VanDerWaalsContact O-N 3.14Å; P337-F339 PolarHBondContact O-N 3.24Å; P337-R343 PolarHBondContact O-NH1 2.94Å; P337-R343 PolarHBondContact O-NH2 2.91Å
338S84.1Confident93.3Very high42 Ų4231.2 Ų31.229%0.29416%0.158SC..THydrogen-bonded Turntrans-79.20.4174.561.10000113.5E33 K336 V340E33-S338 VanDerWaalsContact OE1-CA 3.28Å; E33-S338 WeakPolarHBondContact OE1-CA 3.48Å; E33-S338 WeakPolarHBondContact OE1-CB 3.37Å; E33-S338 PolarHBondContact OE1-N 2.81Å; E33-S338 PolarHBondContact OE1-OG 3.47Å; E33-S338 VanDerWaalsContact OE1-OG 3.14Å; E33-S338 WeakPolarHBondContact OE2-CB 3.37Å; E33-S338 PolarHBondContact OE2-N 3.16Å; E33-S338 PolarHBondContact OE2-OG 3.31Å; K336-S338 VanDerWaalsContact C-N 3.25Å; K336-S338 WeakPolarHBondContact CE-OG 3.37Å; K336-S338 PolarHBondContact O-N 3.49Å; S338-V340 PolarHBondContact O-N 2.87Å
339F88Confident93.2Very high32 Ų3230.6 Ų30.614%0.1416%0.155CC..  trans-7874.3-176.4-160.1179000111.8A290 H294 K336 P337 I341 A342 R343A290-F339 HydrophobicContact CB-CD1 4.29Å; H294-F339 HydrophobicContact CB-CE1 3.62Å; H294-F339 HydrophobicContact CB-CZ 4.09Å; H294-F339 AromaticContact CG-CE1 3.87Å; H294-F339 AromaticContact CG-CZ 3.85Å; H294-F339 AromaticContact ND1-CZ 3.7Å; K336-F339 HydrophobicContact CB-CB 4.12Å; K336-F339 HydrophobicContact CD-CB 4.07Å; K336-F339 HydrophobicContact CD-CG 4.48Å; K336-F339 HydrophobicContact CG-CB 4.03Å; K336-F339 VanDerWaalsContact O-CB 3.22Å; K336-F339 WeakPolarHBondContact O-CB 3.5Å; K336-F339 PolarHBondContact O-N 3.45Å; P337-F339 PolarHBondContact O-N 3.24Å; F339-I341 VanDerWaalsContact C-N 3.3Å; F339-I341 HydrophobicContact CD2-CB 4.37Å; F339-I341 HydrophobicContact CE2-CB 4.05Å; F339-I341 PolarHBondContact O-N 2.81Å; F339-A342 HydrophobicContact CB-CB 4.14Å; F339-A342 HydrophobicContact CD1-CB 3.56Å; F339-A342 HydrophobicContact CD2-CB 4.12Å; F339-A342 HydrophobicContact CE1-CB 3.92Å; F339-A342 HydrophobicContact CE2-CB 4.44Å; F339-A342 HydrophobicContact CG-CB 3.67Å; F339-A342 HydrophobicContact CZ-CB 4.34Å; F339-A342 PolarHBondContact O-N 3.44Å; F339-R343 PolarHBondContact O-N 2.91Å
340V88.3Confident93.2Very high19 Ų1931.2 Ų31.212%0.11516%0.158CC..Hα-helixtrans-48.9-48.3-176.1174.80000112.3S338 A342 R343 I344 L377 I385S338-V340 PolarHBondContact O-N 2.87Å; V340-A342 PolarHBondContact O-N 2.68Å; V340-R343 PolarHBondContact O-N 3.47Å; V340-R343 VanDerWaalsContact O-N 3.16Å; V340-I344 HydrophobicContact CG1-CD1 3.77Å; V340-I344 HydrophobicContact CG1-CG1 4.35Å; V340-I344 WeakPolarHBondContact O-CG1 3.41Å; V340-I344 PolarHBondContact O-N 3.49Å; V340-L377 HydrophobicContact CG2-CD2 3.89Å; V340-I385 HydrophobicContact CG1-CD1 3.76Å; V340-I385 HydrophobicContact CG1-CG1 3.78Å
341I89.6Confident93.1Very high64 Ų6428.4 Ų28.433%0.32815%0.145SC..Hα-helixtrans-61.3-43.6-178.3-62.2167.4000111.5F339 R343 I344 D345 L384F339-I341 VanDerWaalsContact C-N 3.3Å; F339-I341 HydrophobicContact CD2-CB 4.37Å; F339-I341 HydrophobicContact CE2-CB 4.05Å; F339-I341 PolarHBondContact O-N 2.81Å; I341-R343 VanDerWaalsContact C-N 3.33Å; I341-R343 PolarHBondContact O-N 2.98Å; I341-I344 PolarHBondContact O-N 2.96Å; I341-D345 PolarHBondContact O-N 3.15Å; I341-L384 HydrophobicContact CG1-CD2 4.28Å
342A93.9Very high92.9Very high0 Ų027.4 Ų27.40%014%0.141CC..Hα-helixtrans-65.7-37.4177.700000111.8H294 A332 V333 F339 V340 D345 L346H294-A342 HydrophobicContact CB-CB 4.41Å; A332-A342 HydrophobicContact CB-CB 4.2Å; V333-A342 HydrophobicContact CG2-CB 4.13Å; F339-A342 HydrophobicContact CB-CB 4.14Å; F339-A342 HydrophobicContact CD1-CB 3.56Å; F339-A342 HydrophobicContact CD2-CB 4.12Å; F339-A342 HydrophobicContact CE1-CB 3.92Å; F339-A342 HydrophobicContact CE2-CB 4.44Å; F339-A342 HydrophobicContact CG-CB 3.67Å; F339-A342 HydrophobicContact CZ-CB 4.34Å; F339-A342 PolarHBondContact O-N 3.44Å; V340-A342 PolarHBondContact O-N 2.68Å; A342-D345 PolarHBondContact O-N 3.2Å; A342-L346 WeakPolarHBondContact O-CB 3.49Å; A342-L346 PolarHBondContact O-N 3.37Å
343R94.7Very high92.7Very high22 Ų2229.9 Ų29.98%0.08315%0.154CC..Hα-helixtrans-65.8-41175.6-176.3173.8-6998.3-3.8112.4V333 P337 F339 V340 I341 L346 A347 M362V333-R343 HydrophobicContact CG2-CB 4.08Å; P337-R343 PolarHBondContact O-NH1 2.94Å; P337-R343 PolarHBondContact O-NH2 2.91Å; F339-R343 PolarHBondContact O-N 2.91Å; V340-R343 PolarHBondContact O-N 3.47Å; V340-R343 VanDerWaalsContact O-N 3.16Å; I341-R343 VanDerWaalsContact C-N 3.33Å; I341-R343 PolarHBondContact O-N 2.98Å; R343-L346 WeakPolarHBondContact O-CB 3.47Å; R343-L346 PolarHBondContact O-N 3.23Å; R343-A347 WeakPolarHBondContact O-CB 3.32Å; R343-A347 PolarHBondContact O-N 3.08Å; R343-M362 WeakPolarHBondContact CD-O 3.36Å; R343-M362 HydrophobicContact CG-CB 3.86Å; R343-M362 HydrophobicContact CG-CG 4.3Å; R343-M362 HydrophobicContact CG-SD 3.92Å
344I94.4Very high92.7Very high6 Ų637.6 Ų37.63%0.03119%0.187CC..Hα-helixtrans-64.3-45.5175.2-65.5165.3000110.6V340 I341 L346 A347 L348 F363 L384 I385 R388V340-I344 HydrophobicContact CG1-CD1 3.77Å; V340-I344 HydrophobicContact CG1-CG1 4.35Å; V340-I344 WeakPolarHBondContact O-CG1 3.41Å; V340-I344 PolarHBondContact O-N 3.49Å; I341-I344 PolarHBondContact O-N 2.96Å; I344-L346 PolarHBondContact O-N 3.03Å; I344-A347 PolarHBondContact O-N 3.38Å; I344-L348 HydrophobicContact CG2-CD1 4.31Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 3.34Å; I344-L348 VanDerWaalsContact O-N 3.08Å; I344-F363 HydrophobicContact CG2-CE1 4.26Å; I344-L384 HydrophobicContact CD1-CD2 4.48Å; I344-L384 HydrophobicContact CD1-CG 4.32Å; I344-I385 HydrophobicContact CD1-CB 4.35Å; I344-I385 HydrophobicContact CD1-CG1 3.62Å; I344-I385 HydrophobicContact CG1-CG1 4.34Å; I344-R388 HydrophobicContact CG2-CB 3.42Å; I344-R388 VanDerWaalsContact CG2-CB 3.42Å; I344-R388 HydrophobicContact CG2-CG 3.53Å
345D95.5Very high92.7Very high21 Ų2133.6 Ų33.611%0.11217%0.17CC..Hα-helixtrans-58.1-40.4175.2-83.7-45.4000111H294 K301 L329 I341 A342 M349H294-D345 IonicContact CD2-OD2 2.76Å; H294-D345 IonicContact CE1-OD2 2.71Å; H294-D345 IonicContact NE2-OD2 2.69Å; H294-D345 PolarHBondContact NE2-OD2 3.25Å; K301-D345 IonicContact NZ-OD1 3.7Å; K301-D345 PolarHBondContact NZ-OD1 3.29Å; L329-D345 HydrophobicContact CD1-CB 4.01Å; L329-D345 HydrophobicContact CD2-CB 4.04Å; I341-D345 PolarHBondContact O-N 3.15Å; A342-D345 PolarHBondContact O-N 3.2Å; D345-M349 VanDerWaalsContact O-CG 3.31Å; D345-M349 WeakPolarHBondContact O-CG 3.42Å; D345-M349 PolarHBondContact O-N 2.95Å; D345-M349 VanDerWaalsContact O-N 3.16Å
346L97.3Very high92.9Very high3 Ų335.4 Ų35.42%0.01618%0.179CC..Hα-helixtrans-64-46.9176.1-179.758.4000112I326 L329 E330 V333 A342 R343 I344 L348 M349 Y350 M362I326-L346 HydrophobicContact CG2-CD1 4.03Å; L329-L346 HydrophobicContact CB-CB 4.03Å; L329-L346 HydrophobicContact CB-CD1 3.94Å; L329-L346 HydrophobicContact CB-CG 4.47Å; E330-L346 HydrophobicContact CG-CD1 3.93Å; E330-L346 HydrophobicContact CG-CD2 4.12Å; V333-L346 HydrophobicContact CG2-CD2 4.19Å; A342-L346 WeakPolarHBondContact O-CB 3.49Å; A342-L346 PolarHBondContact O-N 3.37Å; R343-L346 WeakPolarHBondContact O-CB 3.47Å; R343-L346 PolarHBondContact O-N 3.23Å; I344-L346 PolarHBondContact O-N 3.03Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.16Å; L346-M349 PolarHBondContact O-N 2.97Å; L346-Y350 HydrophobicContact CD1-CD2 4.25Å; L346-Y350 HydrophobicContact CD1-CE1 4.17Å; L346-Y350 HydrophobicContact CD1-CE2 3.79Å; L346-Y350 HydrophobicContact CD2-CE2 3.98Å; L346-Y350 HydrophobicContact CG-CD2 4.02Å; L346-Y350 HydrophobicContact CG-CE2 3.6Å; L346-Y350 PolarHBondContact O-N 2.93Å; L346-M362 HydrophobicContact CD2-CG 4.36Å; L346-M362 HydrophobicContact CD2-SD 4.08Å; L346-M362 HydrophobicContact CG-CG 4.46Å
347A96.3Very high93.2Very high0 Ų037.7 Ų37.70%020%0.201CC..Hα-helixtrans-57.1-44179.100000111.9R343 I344 M349 Y350 G351 A359 M362 F363R343-A347 WeakPolarHBondContact O-CB 3.32Å; R343-A347 PolarHBondContact O-N 3.08Å; I344-A347 PolarHBondContact O-N 3.38Å; A347-M349 VanDerWaalsContact C-N 3.34Å; A347-M349 PolarHBondContact O-N 3.26Å; A347-Y350 PolarHBondContact O-N 3.12Å; A347-G351 PolarHBondContact O-N 3.42Å; A347-A359 WeakPolarHBondContact O-CB 3.43Å; A347-M362 HydrophobicContact CB-CB 3.64Å; A347-F363 HydrophobicContact CB-CD2 3.71Å; A347-F363 HydrophobicContact CB-CE1 4.27Å; A347-F363 HydrophobicContact CB-CE2 3.43Å; A347-F363 VanDerWaalsContact CB-CE2 3.43Å; A347-F363 HydrophobicContact CB-CG 4.24Å; A347-F363 HydrophobicContact CB-CZ 3.74Å
348L95.3Very high93.5Very high18 Ų1839.3 Ų39.39%0.09420%0.2CC..Hα-helixtrans-65.3-36.4176.1-66.2171.9000112.2I344 L346 G351 E352 F363 R388 F392I344-L348 HydrophobicContact CG2-CD1 4.31Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 3.34Å; I344-L348 VanDerWaalsContact O-N 3.08Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.16Å; L348-G351 PolarHBondContact O-N 3.29Å; L348-E352 PolarHBondContact O-N 3.08Å; L348-F363 HydrophobicContact CD2-CZ 4.13Å; L348-F363 HydrophobicContact CG-CZ 4.39Å; L348-R388 HydrophobicContact CD1-CB 4.39Å; L348-R388 HydrophobicContact CD1-CG 4.41Å; L348-F392 HydrophobicContact CD2-CB 4.31Å
349M95.9Very high94.1Very high1 Ų137.3 Ų37.31%0.00519%0.186CC..Hα-helixtrans-68.7-36.9175.6-65.6-61.689.600112.4K301 C325 I326 L329 D345 L346 A347 E352 D353K301-M349 HydrophobicContact CD-CE 4.22Å; K301-M349 HydrophobicContact CD-SD 4.36Å; K301-M349 HydrophobicContact CG-CE 4.4Å; K301-M349 HydrophobicContact CG-SD 4.25Å; C325-M349 HydrophobicContact CB-SD 4.45Å; C325-M349 VanDerWaalsContact SG-SD 3.66Å; I326-M349 HydrophobicContact CD1-CB 4.33Å; I326-M349 HydrophobicContact CG1-CB 3.68Å; L329-M349 HydrophobicContact CD1-CG 3.85Å; D345-M349 VanDerWaalsContact O-CG 3.31Å; D345-M349 WeakPolarHBondContact O-CG 3.42Å; D345-M349 PolarHBondContact O-N 2.95Å; D345-M349 VanDerWaalsContact O-N 3.16Å; L346-M349 PolarHBondContact O-N 2.97Å; A347-M349 VanDerWaalsContact C-N 3.34Å; A347-M349 PolarHBondContact O-N 3.26Å; M349-E352 HydrophobicContact CE-CG 4.24Å; M349-E352 VanDerWaalsContact CE-OE1 3.25Å; M349-E352 WeakPolarHBondContact CE-OE1 3.35Å; M349-E352 PolarHBondContact O-N 3.31Å; M349-D353 PolarHBondContact O-N 2.95Å
350Y97.1Very high94.3Very high13 Ų1338.5 Ų38.55%0.05119%0.192CC..Hα-helixtrans-64.5-41.3170.7-72.3-38.8000112.4I326 E330 L346 A347 E352 D353 K354 D355 R358 M362I326-Y350 HydrophobicContact CD1-CD1 4.2Å; I326-Y350 HydrophobicContact CG2-CD1 4.34Å; I326-Y350 HydrophobicContact CG2-CE1 3.66Å; E330-Y350 PolarHBondContact OE1-OH 2.84Å; L346-Y350 HydrophobicContact CD1-CD2 4.25Å; L346-Y350 HydrophobicContact CD1-CE1 4.17Å; L346-Y350 HydrophobicContact CD1-CE2 3.79Å; L346-Y350 HydrophobicContact CD2-CE2 3.98Å; L346-Y350 HydrophobicContact CG-CD2 4.02Å; L346-Y350 HydrophobicContact CG-CE2 3.6Å; L346-Y350 PolarHBondContact O-N 2.93Å; A347-Y350 PolarHBondContact O-N 3.12Å; Y350-E352 VanDerWaalsContact C-N 3.31Å; Y350-E352 PolarHBondContact O-N 3.15Å; Y350-D353 CarbonylContact O-C 3.6Å; Y350-D353 WeakPolarHBondContact O-CA 3.47Å; Y350-D353 PolarHBondContact O-N 3.08Å; Y350-K354 PolarHBondContact O-N 3.3Å; Y350-D355 PolarHBondContact O-N 3.23Å; Y350-R358 HydrophobicContact CD1-CB 4.46Å; Y350-R358 HydrophobicContact CD2-CB 3.67Å; Y350-R358 VanDerWaalsContact CE1-CZ 3.43Å; Y350-R358 VanDerWaalsContact CE1-NH1 3.28Å; Y350-R358 HydrophobicContact CE2-CB 3.74Å; Y350-R358 HydrophobicContact CG-CB 4.04Å; Y350-R358 PolarHBondContact OH-NH1 3.38Å; Y350-R358 VanDerWaalsContact OH-NH1 3.12Å; Y350-M362 HydrophobicContact CD2-CG 4.13Å; Y350-M362 HydrophobicContact CE2-CG 4.01Å
351G94.8Very high94.6Very high2 Ų242.1 Ų42.12%0.02121%0.207CC..Hα-helixtrans-58.1-42.8173.400000112.4A347 L348 D353 K354 H396A347-G351 PolarHBondContact O-N 3.42Å; L348-G351 PolarHBondContact O-N 3.29Å; G351-D353 VanDerWaalsContact C-N 3.33Å; G351-D353 PolarHBondContact O-N 3.41Å; G351-K354 PolarHBondContact O-N 2.95Å; G351-H396 PolarHBondContact O-ND1 3.46Å
352E92.5Very high94.8Very high55 Ų5540.1 Ų40.126%0.25720%0.197SC..Hα-helixtrans-65.5-33173.3-74.7-166.8-162.500113.9K304 R322 L348 M349 Y350 K354 H396K304-E352 VanDerWaalsContact CE-OE2 3.23Å; K304-E352 WeakPolarHBondContact CE-OE2 3.38Å; K304-E352 IonicContact NZ-OE1 3.31Å; K304-E352 PolarHBondContact NZ-OE1 3.14Å; K304-E352 IonicContact NZ-OE2 2.76Å; K304-E352 PolarHBondContact NZ-OE2 3.46Å; R322-E352 IonicContact CZ-OE2 4Å; R322-E352 IonicContact NE-OE2 3.47Å; R322-E352 PolarHBondContact NE-OE2 3.37Å; R322-E352 IonicContact NH2-OE2 3.86Å; R322-E352 PolarHBondContact NH2-OE2 2.89Å; L348-E352 PolarHBondContact O-N 3.08Å; M349-E352 HydrophobicContact CE-CG 4.24Å; M349-E352 VanDerWaalsContact CE-OE1 3.25Å; M349-E352 WeakPolarHBondContact CE-OE1 3.35Å; M349-E352 PolarHBondContact O-N 3.31Å; Y350-E352 VanDerWaalsContact C-N 3.31Å; Y350-E352 PolarHBondContact O-N 3.15Å; E352-K354 PolarHBondContact O-N 2.83Å; E352-H396 PolarHBondContact N-CE1 3Å
353D93.6Very high94.6Very high51 Ų5140.1 Ų40.127%0.27320%0.197SC..THydrogen-bonded Turntrans-78.8-1.9176.5-151.748.5000112.8Q319 R322 I326 M349 Y350 G351 D355Q319-D353 PolarHBondContact NE2-OD1 3.34Å; R322-D353 WeakPolarHBondContact CD-OD1 3.36Å; R322-D353 IonicContact NH1-OD1 2.74Å; I326-D353 HydrophobicContact CD1-CB 4.17Å; M349-D353 PolarHBondContact O-N 2.95Å; Y350-D353 CarbonylContact O-C 3.6Å; Y350-D353 WeakPolarHBondContact O-CA 3.47Å; Y350-D353 PolarHBondContact O-N 3.08Å; G351-D353 VanDerWaalsContact C-N 3.33Å; G351-D353 PolarHBondContact O-N 3.41Å; D353-D355 PolarHBondContact O-N 3.38Å
354K92.8Very high94.4Very high179 Ų17942.4 Ų42.478%0.77821%0.209SC*.THydrogen-bonded Turntrans66.516.1-174.9-51.8-178.9176.7-176.30114.6Y350 G351 E352 L356Y350-K354 PolarHBondContact O-N 3.3Å; G351-K354 PolarHBondContact O-N 2.95Å; E352-K354 PolarHBondContact O-N 2.83Å; K354-L356 VanDerWaalsContact C-N 3.27Å; K354-L356 PolarHBondContact O-N 2.63Å; K354-L356 VanDerWaalsContact O-N 3.09Å
355D95Very high94Very high43 Ų4346.2 Ų46.223%0.2323%0.226CC..  trans-85.274.3169.5-162.7-33.8000110Y350 D353 S357 R358 A359Y350-D355 PolarHBondContact O-N 3.23Å; D353-D355 PolarHBondContact O-N 3.38Å; D355-S357 PolarHBondContact O-N 3.43Å; D355-R358 WeakPolarHBondContact OD1-CB 3.32Å; D355-R358 PolarHBondContact OD1-N 2.95Å; D355-R358 VanDerWaalsContact OD1-N 3.09Å; D355-R358 IonicContact OD1-NE 3.87Å; D355-R358 IonicContact OD2-CZ 2.61Å; D355-R358 IonicContact OD2-NE 3.77Å; D355-R358 PolarHBondContact OD2-NE 2.95Å; D355-R358 IonicContact OD2-NH2 2.91Å; D355-R358 PolarHBondContact OD2-NH2 2.89Å; D355-A359 WeakPolarHBondContact O-CB 3.48Å; D355-A359 PolarHBondContact O-N 3.32Å; D355-A359 VanDerWaalsContact O-N 3.09Å
356L94.8Very high93.5Very high73 Ų7345.4 Ų45.438%0.38222%0.222SC..Hα-helixtrans-66-29.8-174.9-57.1-177000112.1K354 E360 F392 H396 T397K354-L356 VanDerWaalsContact C-N 3.27Å; K354-L356 PolarHBondContact O-N 2.63Å; K354-L356 VanDerWaalsContact O-N 3.09Å; L356-E360 VanDerWaalsContact O-CB 3.28Å; L356-E360 WeakPolarHBondContact O-CB 3.42Å; L356-E360 PolarHBondContact O-N 3.34Å; L356-F392 HydrophobicContact CD2-CE2 4.03Å; L356-F392 HydrophobicContact CD2-CZ 4.18Å; L356-H396 HydrophobicContact CD2-CB 4.13Å; L356-T397 HydrophobicContact CD2-CG2 4.45Å
357S95Very high92.6Very high93 Ų9346.9 Ų46.965%0.6523%0.228SC*.Hα-helixtrans-66.5-50.2179.8-171.20000111.3D355 A359 E360 E361D355-S357 PolarHBondContact O-N 3.43Å; S357-A359 VanDerWaalsContact C-N 3.34Å; S357-E360 PolarHBondContact O-N 3.46Å; S357-E361 PolarHBondContact O-N 2.94Å
358R95.1Very high91.3Very high89 Ų8951.8 Ų51.834%0.33626%0.255SS..Hα-helixtrans-69.1-33.7177.2-73.4-166-73.6166.4-4.9112.1E330 Y350 D355 E361 M362E330-R358 IonicContact OE1-NH1 3.53Å; E330-R358 PolarHBondContact OE1-NH1 3.12Å; Y350-R358 HydrophobicContact CD1-CB 4.46Å; Y350-R358 HydrophobicContact CD2-CB 3.67Å; Y350-R358 VanDerWaalsContact CE1-CZ 3.43Å; Y350-R358 VanDerWaalsContact CE1-NH1 3.28Å; Y350-R358 HydrophobicContact CE2-CB 3.74Å; Y350-R358 HydrophobicContact CG-CB 4.04Å; Y350-R358 PolarHBondContact OH-NH1 3.38Å; Y350-R358 VanDerWaalsContact OH-NH1 3.12Å; D355-R358 WeakPolarHBondContact OD1-CB 3.32Å; D355-R358 PolarHBondContact OD1-N 2.95Å; D355-R358 VanDerWaalsContact OD1-N 3.09Å; D355-R358 IonicContact OD1-NE 3.87Å; D355-R358 IonicContact OD2-CZ 2.61Å; D355-R358 IonicContact OD2-NE 3.77Å; D355-R358 PolarHBondContact OD2-NE 2.95Å; D355-R358 IonicContact OD2-NH2 2.91Å; D355-R358 PolarHBondContact OD2-NH2 2.89Å; R358-E361 PolarHBondContact O-N 3.36Å; R358-M362 VanDerWaalsContact O-CG 3.3Å; R358-M362 WeakPolarHBondContact O-CG 3.26Å; R358-M362 PolarHBondContact O-N 3.31Å; R358-M362 VanDerWaalsContact O-N 3.11Å
359A95.3Very high89.5Confident0 Ų055.6 Ų55.60%027%0.27CS..Hα-helixtrans-59.7-48.5174.300000111.7A347 D355 S357 M362 F363 F392A347-A359 WeakPolarHBondContact O-CB 3.43Å; D355-A359 WeakPolarHBondContact O-CB 3.48Å; D355-A359 PolarHBondContact O-N 3.32Å; D355-A359 VanDerWaalsContact O-N 3.09Å; S357-A359 VanDerWaalsContact C-N 3.34Å; A359-M362 PolarHBondContact O-N 3.44Å; A359-F363 VanDerWaalsContact O-CD2 3.27Å; A359-F363 WeakPolarHBondContact O-CD2 3.37Å; A359-F363 PolarHBondContact O-N 2.86Å; A359-F392 HydrophobicContact CB-CD2 4.27Å; A359-F392 HydrophobicContact CB-CE2 3.44Å; A359-F392 VanDerWaalsContact CB-CE2 3.44Å; A359-F392 HydrophobicContact CB-CZ 3.65Å
360E94.1Very high87.3Confident57 Ų5757.9 Ų57.927%0.26629%0.287SS..Hα-helixtrans-59.8-48.3177.7-17560.1-146.700111.4L356 S357 M362 F363 Q364 Y389L356-E360 VanDerWaalsContact O-CB 3.28Å; L356-E360 WeakPolarHBondContact O-CB 3.42Å; L356-E360 PolarHBondContact O-N 3.34Å; S357-E360 PolarHBondContact O-N 3.46Å; E360-M362 VanDerWaalsContact C-N 3.26Å; E360-M362 PolarHBondContact O-N 2.82Å; E360-F363 PolarHBondContact O-N 3.17Å; E360-Q364 HydrophobicContact CG-CG 4.36Å; E360-Q364 WeakPolarHBondContact O-CG 3.43Å; E360-Q364 PolarHBondContact O-N 3.11Å; E360-Q364 PolarHBondContact OE1-NE2 3.49Å; E360-Y389 VanDerWaalsContact CD-OH 3.31Å; E360-Y389 PolarHBondContact OE1-OH 2.71Å; E360-Y389 PolarHBondContact OE2-OH 2.57Å
361E93.2Very high84.6Confident95 Ų9561.9 Ų61.944%0.44432%0.317SS..Hα-helixtrans-54.1-43176.8-171.4-169.8160.700112.1S357 R358 F363 Q364 H365S357-E361 PolarHBondContact O-N 2.94Å; R358-E361 PolarHBondContact O-N 3.36Å; E361-F363 PolarHBondContact O-N 3.34Å; E361-Q364 PolarHBondContact O-N 3.04Å; E361-H365 WeakPolarHBondContact O-CB 3.48Å; E361-H365 PolarHBondContact O-CD2 3.11Å; E361-H365 VanDerWaalsContact O-CD2 3.29Å; E361-H365 PolarHBondContact O-N 2.74Å; E361-H365 IonicContact OE1-NE2 3.87Å
362M93.6Very high82.2Confident21 Ų2166.7 Ų66.710%0.10334%0.342CS..Hα-helixtrans-66.3-37178.3-69.1-53.298.400112.7R343 L346 A347 Y350 R358 A359 E360 C366R343-M362 WeakPolarHBondContact CD-O 3.36Å; R343-M362 HydrophobicContact CG-CB 3.86Å; R343-M362 HydrophobicContact CG-CG 4.3Å; R343-M362 HydrophobicContact CG-SD 3.92Å; L346-M362 HydrophobicContact CD2-CG 4.36Å; L346-M362 HydrophobicContact CD2-SD 4.08Å; L346-M362 HydrophobicContact CG-CG 4.46Å; A347-M362 HydrophobicContact CB-CB 3.64Å; Y350-M362 HydrophobicContact CD2-CG 4.13Å; Y350-M362 HydrophobicContact CE2-CG 4.01Å; R358-M362 VanDerWaalsContact O-CG 3.3Å; R358-M362 WeakPolarHBondContact O-CG 3.26Å; R358-M362 PolarHBondContact O-N 3.31Å; R358-M362 VanDerWaalsContact O-N 3.11Å; A359-M362 PolarHBondContact O-N 3.44Å; E360-M362 VanDerWaalsContact C-N 3.26Å; E360-M362 PolarHBondContact O-N 2.82Å; M362-C366 PolarHBondContact O-N 3.38Å; M362-C366 PolarHBondContact O-SG 2.72Å
363F91.6Very high79.9Confident0 Ų072.9 Ų72.90%037%0.368CS..Hα-helixtrans-70.4-44.4174.4-77.8-66.9000111.7I344 A347 L348 A359 E360 E361 H365 C366 F367 R388 Y389 F392I344-F363 HydrophobicContact CG2-CE1 4.26Å; A347-F363 HydrophobicContact CB-CD2 3.71Å; A347-F363 HydrophobicContact CB-CE1 4.27Å; A347-F363 HydrophobicContact CB-CE2 3.43Å; A347-F363 VanDerWaalsContact CB-CE2 3.43Å; A347-F363 HydrophobicContact CB-CG 4.24Å; A347-F363 HydrophobicContact CB-CZ 3.74Å; L348-F363 HydrophobicContact CD2-CZ 4.13Å; L348-F363 HydrophobicContact CG-CZ 4.39Å; A359-F363 VanDerWaalsContact O-CD2 3.27Å; A359-F363 WeakPolarHBondContact O-CD2 3.37Å; A359-F363 PolarHBondContact O-N 2.86Å; E360-F363 PolarHBondContact O-N 3.17Å; E361-F363 PolarHBondContact O-N 3.34Å; F363-H365 VanDerWaalsContact C-N 3.27Å; F363-H365 PolarHBondContact O-N 2.98Å; F363-C366 WeakPolarHBondContact O-CA 3.41Å; F363-C366 VanDerWaalsContact O-CB 3.27Å; F363-C366 WeakPolarHBondContact O-CB 3.36Å; F363-C366 PolarHBondContact O-N 2.75Å; F363-F367 WeakPolarHBondContact O-CD2 3.23Å; F363-F367 PolarHBondContact O-N 3.35Å; F363-R388 HydrophobicContact CE1-CB 4.2Å; F363-R388 HydrophobicContact CZ-CB 4.49Å; F363-Y389 HydrophobicContact CB-CD2 3.61Å; F363-Y389 HydrophobicContact CB-CE2 3.67Å; F363-Y389 HydrophobicContact CB-CG 4.21Å; F363-Y389 AromaticContact CD1-CD2 3.67Å; F363-Y389 HydrophobicContact CD1-CD2 3.67Å; F363-Y389 AromaticContact CD1-CG 3.92Å; F363-Y389 HydrophobicContact CD1-CG 3.92Å; F363-Y389 AromaticContact CD2-CD2 3.41Å; F363-Y389 HydrophobicContact CD2-CD2 3.41Å; F363-Y389 VanDerWaalsContact CD2-CD2 3.41Å; F363-Y389 AromaticContact CD2-CE2 3.82Å; F363-Y389 HydrophobicContact CD2-CE2 3.82Å; F363-Y389 HydrophobicContact CD2-CG 4.44Å; F363-Y389 HydrophobicContact CE1-CD2 4.15Å; F363-Y389 HydrophobicContact CE1-CG 4.38Å; F363-Y389 AromaticContact CE2-CD2 3.91Å; F363-Y389 HydrophobicContact CE2-CD2 3.91Å; F363-Y389 AromaticContact CG-CD2 3.27Å; F363-Y389 HydrophobicContact CG-CD2 3.27Å; F363-Y389 AromaticContact CG-CE2 3.8Å; F363-Y389 HydrophobicContact CG-CE2 3.8Å; F363-Y389 AromaticContact CG-CG 3.96Å; F363-Y389 HydrophobicContact CG-CG 3.96Å; F363-Y389 HydrophobicContact CZ-CD2 4.25Å; F363-F392 HydrophobicContact CD2-CB 4.46Å; F363-F392 HydrophobicContact CD2-CD1 4.08Å; F363-F392 HydrophobicContact CD2-CG 4.21Å; F363-F392 HydrophobicContact CE2-CB 3.56Å; F363-F392 AromaticContact CE2-CD1 3.94Å; F363-F392 HydrophobicContact CE2-CD1 3.94Å; F363-F392 HydrophobicContact CE2-CD2 4.1Å; F363-F392 AromaticContact CE2-CG 3.6Å; F363-F392 HydrophobicContact CE2-CG 3.6Å; F363-F392 HydrophobicContact CZ-CB 3.9Å; F363-F392 HydrophobicContact CZ-CG 4.43Å
364Q89.4Confident77.3Confident71 Ų7180.1 Ų80.133%0.33239%0.391SS..Hα-helixtrans-59.6-38.1176.6-66.6-56.9-28.400112E360 E361 C366 F367 N368 Y389E360-Q364 HydrophobicContact CG-CG 4.36Å; E360-Q364 WeakPolarHBondContact O-CG 3.43Å; E360-Q364 PolarHBondContact O-N 3.11Å; E360-Q364 PolarHBondContact OE1-NE2 3.49Å; E361-Q364 PolarHBondContact O-N 3.04Å; Q364-C366 VanDerWaalsContact C-N 3.26Å; Q364-C366 PolarHBondContact O-N 2.78Å; Q364-F367 PolarHBondContact O-N 2.88Å; Q364-N368 WeakPolarHBondContact O-CB 3.09Å; Q364-N368 PolarHBondContact O-N 3.21Å; Q364-Y389 PolarHBondContact NE2-OH 2.97Å
365H85.6Confident75.2Confident86 Ų8674.4 Ų74.440%0.39837%0.369SS..Hα-helixtrans-61.2-31.5172.1-91.4-59.5000114E361 F363 F367E361-H365 WeakPolarHBondContact O-CB 3.48Å; E361-H365 PolarHBondContact O-CD2 3.11Å; E361-H365 VanDerWaalsContact O-CD2 3.29Å; E361-H365 PolarHBondContact O-N 2.74Å; E361-H365 IonicContact OE1-NE2 3.87Å; F363-H365 VanDerWaalsContact C-N 3.27Å; F363-H365 PolarHBondContact O-N 2.98Å; H365-F367 VanDerWaalsContact C-N 3.32Å
366C84.8Confident73.6Confident4 Ų481.9 Ų81.93%0.02739%0.394CS..Hα-helixtrans-68.6-32.2174.4-62.80000111.9M362 F363 Q364 I385M362-C366 PolarHBondContact O-N 3.38Å; M362-C366 PolarHBondContact O-SG 2.72Å; F363-C366 WeakPolarHBondContact O-CA 3.41Å; F363-C366 VanDerWaalsContact O-CB 3.27Å; F363-C366 WeakPolarHBondContact O-CB 3.36Å; F363-C366 PolarHBondContact O-N 2.75Å; Q364-C366 VanDerWaalsContact C-N 3.26Å; Q364-C366 PolarHBondContact O-N 2.78Å; C366-I385 HydrophobicContact CB-CD1 3.92Å; C366-I385 HydrophobicContact CB-CG1 4.11Å; C366-I385 HydrophobicContact CB-CG2 3.9Å
367F80Confident72.5Confident33 Ų3380 Ų8015%0.14538%0.384CS..Hα-helixtrans-87.6-35.5180-65.3-65000114.1F363 Q364 H365 K369 S370 I385 H386 Y389F363-F367 WeakPolarHBondContact O-CD2 3.23Å; F363-F367 PolarHBondContact O-N 3.35Å; Q364-F367 PolarHBondContact O-N 2.88Å; H365-F367 VanDerWaalsContact C-N 3.32Å; F367-K369 PolarHBondContact O-N 3.33Å; F367-S370 WeakPolarHBondContact O-CA 3.4Å; F367-S370 VanDerWaalsContact O-CB 3.29Å; F367-S370 WeakPolarHBondContact O-CB 3.38Å; F367-S370 PolarHBondContact O-N 3.11Å; F367-S370 PolarHBondContact O-OG 2.96Å; F367-I385 HydrophobicContact CD1-CG2 4.31Å; F367-I385 HydrophobicContact CE1-CG2 3.62Å; F367-I385 HydrophobicContact CE2-CG2 3.93Å; F367-I385 HydrophobicContact CZ-CG2 3.42Å; F367-I385 VanDerWaalsContact CZ-CG2 3.42Å; F367-H386 AromaticContact CE1-CE1 3.49Å; F367-H386 VanDerWaalsContact CE1-CE1 3.49Å; F367-H386 WeakPolarHBondContact CE1-CE1 3.4Å; F367-H386 AromaticContact CE1-ND1 3.78Å; F367-H386 AromaticContact CE1-NE2 3.8Å; F367-H386 AromaticContact CZ-ND1 3.9Å; F367-Y389 AromaticContact CE2-CD1 3.51Å; F367-Y389 HydrophobicContact CE2-CD1 3.51Å; F367-Y389 AromaticContact CE2-CE1 3.82Å; F367-Y389 HydrophobicContact CE2-CE1 3.82Å; F367-Y389 HydrophobicContact CE2-CG 4.18Å; F367-Y389 AromaticContact CZ-CD1 3.83Å; F367-Y389 HydrophobicContact CZ-CD1 3.83Å; F367-Y389 HydrophobicContact CZ-CE1 4.47Å
368N68.3Low71.7Confident104 Ų10477.4 Ų77.456%0.55637%0.365SS*.Hα-helixtrans-65.5-21.7-178.8-75.1-17.7000113.4Q364 S370 S371Q364-N368 WeakPolarHBondContact O-CB 3.09Å; Q364-N368 PolarHBondContact O-N 3.21Å; N368-S370 VanDerWaalsContact C-N 3.31Å; N368-S371 PolarHBondContact O-OG 3.36Å
369K56.7Low71Confident97 Ų9776.1 Ų76.142%0.42237%0.367SS..THydrogen-bonded Turntrans-80-9.6168.4-74.3-168.4172.9-167.90113.8E33 F367 D375E33-K369 IonicContact OE1-NZ 3.37Å; F367-K369 PolarHBondContact O-N 3.33Å; K369-D375 WeakPolarHBondContact O-CB 3.44Å
370S49.1Very low70.3Confident50 Ų5078.8 Ų78.835%0.3539%0.385SS..THydrogen-bonded Turntrans-96.9-11.8-177.578.30000114.4F367 N368 D372F367-S370 WeakPolarHBondContact O-CA 3.4Å; F367-S370 VanDerWaalsContact O-CB 3.29Å; F367-S370 WeakPolarHBondContact O-CB 3.38Å; F367-S370 PolarHBondContact O-N 3.11Å; F367-S370 PolarHBondContact O-OG 2.96Å; N368-S370 VanDerWaalsContact C-N 3.31Å; S370-D372 VanDerWaalsContact C-N 3.34Å
371S41.4Very low69.7Low97 Ų9776.8 Ų76.868%0.67838%0.376SS*.SBendtrans-78.2-18.517958.20000113.5N368N368-S371 PolarHBondContact O-OG 3.36Å
372D43.5Very low69.3Low103 Ų10376 Ų7655%0.55137%0.369SS*.SBendtrans-80.9123175.6-142.7-22.9000109.8S370 R374 D375S370-D372 VanDerWaalsContact C-N 3.34Å; D372-R374 PolarHBondContact O-N 2.95Å; D372-D375 PolarHBondContact O-N 3.39Å; D372-D375 VanDerWaalsContact O-N 3.16Å
373K44.3Very low69.1Low184 Ų18475 Ų7580%0.837%0.365SS*.THydrogen-bonded Turntrans-59.7-9.1-168.5-74.6-179.9178.4176.20114.2
374R40Very low68.9Low204 Ų20476.3 Ų76.377%0.7737%0.371SS*.THydrogen-bonded Turntrans-106.3-17.1-172.9-57.3177.8-152.9178.96.8113.7D372D372-R374 PolarHBondContact O-N 2.95Å
375D49.5Very low69Low58 Ų5873.1 Ų73.131%0.3136%0.356SS..  trans-104.360178.9-82.12.6000111.4K369 D372 L377K369-D375 WeakPolarHBondContact O-CB 3.44Å; D372-D375 PolarHBondContact O-N 3.39Å; D372-D375 VanDerWaalsContact O-N 3.16Å; D375-L377 PolarHBondContact O-N 3.48Å
376R60.7Low69.3Low200 Ų20070.3 Ų70.376%0.75534%0.343SS*.  trans-74.695.8174.3-70.1-174.6-176.5-177-0109.2
377L71.6Confident69.7Low33 Ų3370.2 Ų70.217%0.17334%0.342CS..  trans-43.2137163.2-78.5170.2000109.6V340 D375 V379 R382 I385V340-L377 HydrophobicContact CG2-CD2 3.89Å; D375-L377 PolarHBondContact O-N 3.48Å; L377-V379 PolarHBondContact O-N 3.05Å; L377-R382 HydrophobicContact CB-CG 3.67Å; L377-R382 PolarHBondContact O-NE 3.5Å; L377-I385 HydrophobicContact CD1-CD1 3.75Å
378P77.3Confident70.3Confident39 Ų3971.5 Ų71.525%0.25335%0.346SS..  trans-48.2141.1177.1-28.335000111K157 C380 D381 R382K157-P378 HydrophobicContact CD-CG 4.5Å; P378-C380 PolarHBondContact O-N 3.19Å; P378-C380 VanDerWaalsContact O-N 3.1Å; P378-D381 HydrophobicContact CB-CB 4.46Å; P378-D381 WeakPolarHBondContact O-CA 3.33Å; P378-D381 WeakPolarHBondContact O-CB 3.34Å; P378-D381 PolarHBondContact O-N 3.41Å; P378-R382 PolarHBondContact O-N 2.9Å; P378-R382 VanDerWaalsContact O-N 3.1Å
379V81.2Confident71.6Confident62 Ų6267.1 Ų67.138%0.37632%0.322SS..Hα-helixtrans-53.8-39.3-173.5-170.40000111.8L377 D381 R382 Q383 L413 V414L377-V379 PolarHBondContact O-N 3.05Å; V379-D381 VanDerWaalsContact C-N 3.35Å; V379-D381 PolarHBondContact O-N 3.15Å; V379-R382 PolarHBondContact O-N 3.31Å; V379-Q383 WeakPolarHBondContact O-CB 3.32Å; V379-Q383 PolarHBondContact O-N 3.35Å; V379-L413 HydrophobicContact CG1-CB 4.06Å; V379-L413 HydrophobicContact CG1-CD2 4.31Å; V379-V414 HydrophobicContact CB-CG2 4.27Å; V379-V414 HydrophobicContact CG1-CG2 3.42Å; V379-V414 VanDerWaalsContact CG1-CG2 3.42Å
380C79.4Confident73.4Confident56 Ų5662.5 Ų62.538%0.37830%0.302SS..Hα-helixtrans-63.9-36176.2-60.90000113.1P378 Q383 L384P378-C380 PolarHBondContact O-N 3.19Å; P378-C380 VanDerWaalsContact O-N 3.1Å; C380-Q383 PolarHBondContact O-N 2.93Å; C380-L384 WeakPolarHBondContact O-CB 3.19Å; C380-L384 PolarHBondContact O-N 3.3Å
381D82.1Confident75.5Confident15 Ų1561.5 Ų61.58%0.0829%0.292CS..Hα-helixtrans-71.8-39.9178.7-68.4-15.4000110.6K157 P378 V379 L384 I385K157-D381 WeakPolarHBondContact CD-OD2 3.35Å; K157-D381 WeakPolarHBondContact CE-OD2 3.43Å; K157-D381 IonicContact NZ-OD1 3.47Å; K157-D381 PolarHBondContact NZ-OD1 3.47Å; K157-D381 IonicContact NZ-OD2 2.71Å; K157-D381 PolarHBondContact NZ-OD2 3.01Å; P378-D381 HydrophobicContact CB-CB 4.46Å; P378-D381 WeakPolarHBondContact O-CA 3.33Å; P378-D381 WeakPolarHBondContact O-CB 3.34Å; P378-D381 PolarHBondContact O-N 3.41Å; V379-D381 VanDerWaalsContact C-N 3.35Å; V379-D381 PolarHBondContact O-N 3.15Å; D381-L384 PolarHBondContact O-N 3.23Å; D381-I385 VanDerWaalsContact O-CG1 3.28Å; D381-I385 WeakPolarHBondContact O-CG1 3.47Å; D381-I385 PolarHBondContact O-N 3.31Å
382R86.1Confident78Confident79 Ų7957 Ų5730%0.29826%0.26SS..Hα-helixtrans-60.9-46.3172.6-67.3-169.3-70.7142.53.3111.5L377 P378 V379 L384 I385 H386 L413L377-R382 HydrophobicContact CB-CG 3.67Å; L377-R382 PolarHBondContact O-NE 3.5Å; P378-R382 PolarHBondContact O-N 2.9Å; P378-R382 VanDerWaalsContact O-N 3.1Å; V379-R382 PolarHBondContact O-N 3.31Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 2.96Å; R382-I385 PolarHBondContact O-N 3.37Å; R382-H386 PolarHBondContact O-CD2 3.37Å; R382-H386 PolarHBondContact O-N 3Å; R382-L413 HydrophobicContact CB-CD1 3.92Å
383Q87.8Confident80.4Confident1 Ų152.3 Ų52.31%0.00524%0.235CC..Hα-helixtrans-58.1-43.7175.6179.417551.500111.9V379 C380 H386 H387 A410 L413 V414 T417 E419V379-Q383 WeakPolarHBondContact O-CB 3.32Å; V379-Q383 PolarHBondContact O-N 3.35Å; C380-Q383 PolarHBondContact O-N 2.93Å; Q383-H386 PolarHBondContact O-N 3.46Å; Q383-H387 VanDerWaalsContact O-CB 3.28Å; Q383-H387 WeakPolarHBondContact O-CB 3.49Å; Q383-H387 PolarHBondContact O-N 3.02Å; Q383-A410 HydrophobicContact CG-CB 4.2Å; Q383-A410 WeakPolarHBondContact CG-O 3.27Å; Q383-A410 PolarHBondContact NE2-O 3.26Å; Q383-L413 HydrophobicContact CB-CB 4.48Å; Q383-L413 HydrophobicContact CB-CD1 4.13Å; Q383-V414 PolarHBondContact NE2-O 3.27Å; Q383-T417 PolarHBondContact NE2-OG1 3.19Å; Q383-T417 PolarHBondContact OE1-OG1 3Å; Q383-E419 HydrophobicContact CG-CB 4.1Å
384L88.4Confident82.7Confident27 Ų2745.5 Ų45.514%0.14121%0.207CC..Hα-helixtrans-63.4-41.1177.4-178.763.8000112.2I341 I344 C380 D381 R382 H387 R388 E419I341-L384 HydrophobicContact CG1-CD2 4.28Å; I344-L384 HydrophobicContact CD1-CD2 4.48Å; I344-L384 HydrophobicContact CD1-CG 4.32Å; C380-L384 WeakPolarHBondContact O-CB 3.19Å; C380-L384 PolarHBondContact O-N 3.3Å; D381-L384 PolarHBondContact O-N 3.23Å; R382-L384 VanDerWaalsContact C-N 3.3Å; R382-L384 PolarHBondContact O-N 2.96Å; L384-H387 PolarHBondContact O-N 3.45Å; L384-R388 HydrophobicContact CD1-CG 4.03Å; L384-R388 HydrophobicContact CG-CG 4.46Å; L384-R388 VanDerWaalsContact O-CG 3.32Å; L384-R388 WeakPolarHBondContact O-CG 3.27Å; L384-R388 PolarHBondContact O-N 3.42Å; L384-E419 HydrophobicContact CD1-CG 4.26Å
385I91.1Very high85.2Confident3 Ų341.4 Ų41.42%0.01519%0.193CC..Hα-helixtrans-58.5-55.4176.1-65.8158.8000109.8V340 I344 C366 F367 L377 D381 R382 H387 R388 Y389V340-I385 HydrophobicContact CG1-CD1 3.76Å; V340-I385 HydrophobicContact CG1-CG1 3.78Å; I344-I385 HydrophobicContact CD1-CB 4.35Å; I344-I385 HydrophobicContact CD1-CG1 3.62Å; I344-I385 HydrophobicContact CG1-CG1 4.34Å; C366-I385 HydrophobicContact CB-CD1 3.92Å; C366-I385 HydrophobicContact CB-CG1 4.11Å; C366-I385 HydrophobicContact CB-CG2 3.9Å; F367-I385 HydrophobicContact CD1-CG2 4.31Å; F367-I385 HydrophobicContact CE1-CG2 3.62Å; F367-I385 HydrophobicContact CE2-CG2 3.93Å; F367-I385 HydrophobicContact CZ-CG2 3.42Å; F367-I385 VanDerWaalsContact CZ-CG2 3.42Å; L377-I385 HydrophobicContact CD1-CD1 3.75Å; D381-I385 VanDerWaalsContact O-CG1 3.28Å; D381-I385 WeakPolarHBondContact O-CG1 3.47Å; D381-I385 PolarHBondContact O-N 3.31Å; R382-I385 PolarHBondContact O-N 3.37Å; I385-H387 VanDerWaalsContact C-N 3.32Å; I385-H387 PolarHBondContact O-N 2.86Å; I385-R388 PolarHBondContact O-N 3.28Å; I385-Y389 WeakPolarHBondContact O-CB 3.44Å; I385-Y389 PolarHBondContact O-N 2.9Å
386H92Very high87.2Confident28 Ų2841.5 Ų41.513%0.1319%0.191CC..Hα-helixtrans-59.1-43.1-180-75-72.7000112F367 R382 Q383 R388 Y389 A390 H406 E409 A410F367-H386 AromaticContact CE1-CE1 3.49Å; F367-H386 VanDerWaalsContact CE1-CE1 3.49Å; F367-H386 WeakPolarHBondContact CE1-CE1 3.4Å; F367-H386 AromaticContact CE1-ND1 3.78Å; F367-H386 AromaticContact CE1-NE2 3.8Å; F367-H386 AromaticContact CZ-ND1 3.9Å; R382-H386 PolarHBondContact O-CD2 3.37Å; R382-H386 PolarHBondContact O-N 3Å; Q383-H386 PolarHBondContact O-N 3.46Å; H386-R388 PolarHBondContact O-N 3.38Å; H386-Y389 PolarHBondContact O-N 3.21Å; H386-A390 WeakPolarHBondContact O-CB 3.32Å; H386-A390 PolarHBondContact O-N 3.18Å; H386-H406 AromaticContact CE1-ND1 3.98Å; H386-H406 AromaticContact ND1-ND1 3.28Å; H386-H406 PolarHBondContact ND1-ND1 2.75Å; H386-E409 IonicContact CE1-OE2 2.73Å; H386-E409 PolarHBondContact CE1-OE2 2.84Å; H386-E409 IonicContact ND1-OE2 3.02Å; H386-E409 PolarHBondContact ND1-OE2 3.22Å; H386-A410 HydrophobicContact CB-CB 3.75Å
387H92.1Very high88.6Confident1 Ų133.9 Ų33.91%0.00517%0.167CC..Hα-helixtrans-59.1-45.6177.3175.876.6000112.5Q383 L384 I385 E391 Y407 A410 C423Q383-H387 VanDerWaalsContact O-CB 3.28Å; Q383-H387 WeakPolarHBondContact O-CB 3.49Å; Q383-H387 PolarHBondContact O-N 3.02Å; L384-H387 PolarHBondContact O-N 3.45Å; I385-H387 VanDerWaalsContact C-N 3.32Å; I385-H387 PolarHBondContact O-N 2.86Å; H387-E391 IonicContact NE2-OE1 2.84Å; H387-E391 PolarHBondContact O-N 3.31Å; H387-E391 VanDerWaalsContact O-N 3.14Å; H387-Y407 AromaticContact ND1-CE1 3.79Å; H387-A410 HydrophobicContact CB-CB 4.47Å; H387-C423 PolarHBondContact ND1-SG 3.43Å
388R93.9Very high89.4Confident60 Ų6035.3 Ų35.323%0.22619%0.189CC..Hα-helixtrans-75-31.1-179.7-65.5-57.7-170.2-154.4-12.3112.9I344 L348 F363 L384 I385 H386 E391 F392I344-R388 HydrophobicContact CG2-CB 3.42Å; I344-R388 VanDerWaalsContact CG2-CB 3.42Å; I344-R388 HydrophobicContact CG2-CG 3.53Å; L348-R388 HydrophobicContact CD1-CB 4.39Å; L348-R388 HydrophobicContact CD1-CG 4.41Å; F363-R388 HydrophobicContact CE1-CB 4.2Å; F363-R388 HydrophobicContact CZ-CB 4.49Å; L384-R388 HydrophobicContact CD1-CG 4.03Å; L384-R388 HydrophobicContact CG-CG 4.46Å; L384-R388 VanDerWaalsContact O-CG 3.32Å; L384-R388 WeakPolarHBondContact O-CG 3.27Å; L384-R388 PolarHBondContact O-N 3.42Å; I385-R388 PolarHBondContact O-N 3.28Å; H386-R388 PolarHBondContact O-N 3.38Å; R388-E391 WeakPolarHBondContact CD-OE2 3.4Å; R388-E391 IonicContact CZ-OE2 2.59Å; R388-E391 IonicContact NE-OE2 3.9Å; R388-E391 IonicContact NH1-OE1 3.86Å; R388-E391 PolarHBondContact NH1-OE1 2.95Å; R388-E391 IonicContact NH1-OE2 3.53Å; R388-E391 PolarHBondContact NH1-OE2 3.39Å; R388-E391 PolarHBondContact O-N 2.92Å; R388-F392 PolarHBondContact O-N 2.77Å
389Y94.9Very high90.1Very high12 Ų1238.1 Ų38.15%0.04720%0.197CC..Hα-helixtrans-71.1-37175.5-168.1-143000111.7E360 F363 Q364 F367 I385 H386 F392 H393 H406E360-Y389 VanDerWaalsContact CD-OH 3.31Å; E360-Y389 PolarHBondContact OE1-OH 2.71Å; E360-Y389 PolarHBondContact OE2-OH 2.57Å; F363-Y389 HydrophobicContact CB-CD2 3.61Å; F363-Y389 HydrophobicContact CB-CE2 3.67Å; F363-Y389 HydrophobicContact CB-CG 4.21Å; F363-Y389 AromaticContact CD1-CD2 3.67Å; F363-Y389 HydrophobicContact CD1-CD2 3.67Å; F363-Y389 AromaticContact CD1-CG 3.92Å; F363-Y389 HydrophobicContact CD1-CG 3.92Å; F363-Y389 AromaticContact CD2-CD2 3.41Å; F363-Y389 HydrophobicContact CD2-CD2 3.41Å; F363-Y389 VanDerWaalsContact CD2-CD2 3.41Å; F363-Y389 AromaticContact CD2-CE2 3.82Å; F363-Y389 HydrophobicContact CD2-CE2 3.82Å; F363-Y389 HydrophobicContact CD2-CG 4.44Å; F363-Y389 HydrophobicContact CE1-CD2 4.15Å; F363-Y389 HydrophobicContact CE1-CG 4.38Å; F363-Y389 AromaticContact CE2-CD2 3.91Å; F363-Y389 HydrophobicContact CE2-CD2 3.91Å; F363-Y389 AromaticContact CG-CD2 3.27Å; F363-Y389 HydrophobicContact CG-CD2 3.27Å; F363-Y389 AromaticContact CG-CE2 3.8Å; F363-Y389 HydrophobicContact CG-CE2 3.8Å; F363-Y389 AromaticContact CG-CG 3.96Å; F363-Y389 HydrophobicContact CG-CG 3.96Å; F363-Y389 HydrophobicContact CZ-CD2 4.25Å; Q364-Y389 PolarHBondContact NE2-OH 2.97Å; F367-Y389 AromaticContact CE2-CD1 3.51Å; F367-Y389 HydrophobicContact CE2-CD1 3.51Å; F367-Y389 AromaticContact CE2-CE1 3.82Å; F367-Y389 HydrophobicContact CE2-CE1 3.82Å; F367-Y389 HydrophobicContact CE2-CG 4.18Å; F367-Y389 AromaticContact CZ-CD1 3.83Å; F367-Y389 HydrophobicContact CZ-CD1 3.83Å; F367-Y389 HydrophobicContact CZ-CE1 4.47Å; I385-Y389 WeakPolarHBondContact O-CB 3.44Å; I385-Y389 PolarHBondContact O-N 2.9Å; H386-Y389 PolarHBondContact O-N 3.21Å; Y389-F392 HydrophobicContact CD2-CB 4.45Å; Y389-F392 AromaticContact CD2-CD1 3.87Å; Y389-F392 HydrophobicContact CD2-CD1 3.87Å; Y389-F392 AromaticContact CE2-CD1 3.81Å; Y389-F392 HydrophobicContact CE2-CD1 3.81Å; Y389-F392 HydrophobicContact CE2-CE1 4.23Å; Y389-F392 WeakPolarHBondContact O-CB 3.43Å; Y389-F392 PolarHBondContact O-N 3.47Å; Y389-F392 VanDerWaalsContact O-N 3.15Å; Y389-H393 AromaticContact CD2-NE2 3.94Å; Y389-H393 AromaticContact CE1-NE2 3.53Å; Y389-H393 AromaticContact CE2-CE1 3.73Å; Y389-H393 AromaticContact CE2-NE2 3.3Å; Y389-H393 VanDerWaalsContact CE2-NE2 3.3Å; Y389-H393 WeakPolarHBondContact CE2-NE2 3.47Å; Y389-H393 AromaticContact CZ-CD2 3.99Å; Y389-H393 AromaticContact CZ-CE1 3.7Å; Y389-H393 AromaticContact CZ-NE2 3.03Å; Y389-H393 PolarHBondContact O-CD2 3.37Å; Y389-H393 PolarHBondContact O-N 3.48Å; Y389-H393 PolarHBondContact OH-CE1 3.36Å; Y389-H393 PolarHBondContact OH-NE2 3.13Å; Y389-H393 VanDerWaalsContact OH-NE2 3.11Å; Y389-H406 AromaticContact CD1-CD2 3.31Å; Y389-H406 WeakPolarHBondContact CD1-CD2 3.41Å; Y389-H406 AromaticContact CD1-CE1 3.68Å; Y389-H406 AromaticContact CD1-CG 3.83Å; Y389-H406 AromaticContact CD1-NE2 3.21Å; Y389-H406 WeakPolarHBondContact CD1-NE2 3.48Å; Y389-H406 AromaticContact CE1-CD2 3.59Å; Y389-H406 AromaticContact CE1-CE1 3.75Å; Y389-H406 AromaticContact CE1-NE2 3.07Å; Y389-H406 WeakPolarHBondContact CE1-NE2 3.24Å
390A94.1Very high90.5Very high0 Ų037.7 Ų37.70%019%0.192CC..Hα-helixtrans-61.8-42.8169.500000112.5H386 F392 H393 L394 A403 H406 Y407H386-A390 WeakPolarHBondContact O-CB 3.32Å; H386-A390 PolarHBondContact O-N 3.18Å; A390-F392 VanDerWaalsContact C-N 3.28Å; A390-F392 PolarHBondContact O-N 2.86Å; A390-H393 PolarHBondContact O-N 3.39Å; A390-L394 WeakPolarHBondContact O-CB 3.43Å; A390-L394 PolarHBondContact O-N 3.45Å; A390-A403 WeakPolarHBondContact CB-O 3.07Å; A390-A403 WeakPolarHBondContact O-CB 3.31Å; A390-H406 HydrophobicContact CB-CB 3.82Å; A390-Y407 HydrophobicContact CB-CD1 3.42Å; A390-Y407 VanDerWaalsContact CB-CD1 3.42Å; A390-Y407 HydrophobicContact CB-CD2 3.7Å; A390-Y407 HydrophobicContact CB-CE1 3.44Å; A390-Y407 VanDerWaalsContact CB-CE1 3.44Å; A390-Y407 HydrophobicContact CB-CE2 3.73Å; A390-Y407 HydrophobicContact CB-CG 3.54Å
391E93.4Very high90.9Very high30 Ų3039 Ų3914%0.1420%0.195CC..Hα-helixtrans-60.5-39.2172.2-75-176.3152.300111.8H387 R388 L394 Y395 Y407H387-E391 IonicContact NE2-OE1 2.84Å; H387-E391 PolarHBondContact O-N 3.31Å; H387-E391 VanDerWaalsContact O-N 3.14Å; R388-E391 WeakPolarHBondContact CD-OE2 3.4Å; R388-E391 IonicContact CZ-OE2 2.59Å; R388-E391 IonicContact NE-OE2 3.9Å; R388-E391 IonicContact NH1-OE1 3.86Å; R388-E391 PolarHBondContact NH1-OE1 2.95Å; R388-E391 IonicContact NH1-OE2 3.53Å; R388-E391 PolarHBondContact NH1-OE2 3.39Å; R388-E391 PolarHBondContact O-N 2.92Å; E391-L394 PolarHBondContact O-N 3.01Å; E391-Y395 HydrophobicContact CB-CD2 4.16Å; E391-Y395 HydrophobicContact CB-CE2 4.34Å; E391-Y395 HydrophobicContact CG-CE2 4.25Å; E391-Y395 WeakPolarHBondContact O-CB 3.38Å; E391-Y395 WeakPolarHBondContact O-CD2 3.35Å; E391-Y395 PolarHBondContact O-N 3.44Å; E391-Y407 HydrophobicContact CG-CE1 4.45Å; E391-Y407 WeakPolarHBondContact CG-OH 3.36Å
392F94.8Very high91.4Very high1 Ų141.7 Ų41.70%0.00421%0.207CC..Hα-helixtrans-60.5-48.7176.3169.3-106.1000111.9L348 L356 A359 F363 R388 Y389 A390 L394 H396 T397L348-F392 HydrophobicContact CD2-CB 4.31Å; L356-F392 HydrophobicContact CD2-CE2 4.03Å; L356-F392 HydrophobicContact CD2-CZ 4.18Å; A359-F392 HydrophobicContact CB-CD2 4.27Å; A359-F392 HydrophobicContact CB-CE2 3.44Å; A359-F392 VanDerWaalsContact CB-CE2 3.44Å; A359-F392 HydrophobicContact CB-CZ 3.65Å; F363-F392 HydrophobicContact CD2-CB 4.46Å; F363-F392 HydrophobicContact CD2-CD1 4.08Å; F363-F392 HydrophobicContact CD2-CG 4.21Å; F363-F392 HydrophobicContact CE2-CB 3.56Å; F363-F392 AromaticContact CE2-CD1 3.94Å; F363-F392 HydrophobicContact CE2-CD1 3.94Å; F363-F392 HydrophobicContact CE2-CD2 4.1Å; F363-F392 AromaticContact CE2-CG 3.6Å; F363-F392 HydrophobicContact CE2-CG 3.6Å; F363-F392 HydrophobicContact CZ-CB 3.9Å; F363-F392 HydrophobicContact CZ-CG 4.43Å; R388-F392 PolarHBondContact O-N 2.77Å; Y389-F392 HydrophobicContact CD2-CB 4.45Å; Y389-F392 AromaticContact CD2-CD1 3.87Å; Y389-F392 HydrophobicContact CD2-CD1 3.87Å; Y389-F392 AromaticContact CE2-CD1 3.81Å; Y389-F392 HydrophobicContact CE2-CD1 3.81Å; Y389-F392 HydrophobicContact CE2-CE1 4.23Å; Y389-F392 WeakPolarHBondContact O-CB 3.43Å; Y389-F392 PolarHBondContact O-N 3.47Å; Y389-F392 VanDerWaalsContact O-N 3.15Å; A390-F392 VanDerWaalsContact C-N 3.28Å; A390-F392 PolarHBondContact O-N 2.86Å; F392-L394 PolarHBondContact O-N 2.93Å; F392-H396 HydrophobicContact CD2-CB 3.83Å; F392-H396 AromaticContact CD2-CD2 3.83Å; F392-H396 HydrophobicContact CE2-CB 3.88Å; F392-H396 WeakPolarHBondContact O-CA 3.34Å; F392-H396 VanDerWaalsContact O-CB 3.32Å; F392-H396 WeakPolarHBondContact O-CB 3.38Å; F392-H396 PolarHBondContact O-N 3.02Å; F392-T397 HydrophobicContact CD1-CG2 4.23Å; F392-T397 HydrophobicContact CE1-CG2 3.58Å; F392-T397 HydrophobicContact CE2-CG2 4.28Å; F392-T397 HydrophobicContact CZ-CG2 3.61Å; F392-T397 PolarHBondContact O-N 3.02Å
393H94Very high91.7Very high5 Ų537.9 Ų37.92%0.02319%0.192CC..Iπ-helixtrans-65.1-41178.5-75.3-48.3000113.4Y389 A390 T397 G398 K399 E402 A403 H406Y389-H393 AromaticContact CD2-NE2 3.94Å; Y389-H393 AromaticContact CE1-NE2 3.53Å; Y389-H393 AromaticContact CE2-CE1 3.73Å; Y389-H393 AromaticContact CE2-NE2 3.3Å; Y389-H393 VanDerWaalsContact CE2-NE2 3.3Å; Y389-H393 WeakPolarHBondContact CE2-NE2 3.47Å; Y389-H393 AromaticContact CZ-CD2 3.99Å; Y389-H393 AromaticContact CZ-CE1 3.7Å; Y389-H393 AromaticContact CZ-NE2 3.03Å; Y389-H393 PolarHBondContact O-CD2 3.37Å; Y389-H393 PolarHBondContact O-N 3.48Å; Y389-H393 PolarHBondContact OH-CE1 3.36Å; Y389-H393 PolarHBondContact OH-NE2 3.13Å; Y389-H393 VanDerWaalsContact OH-NE2 3.11Å; A390-H393 PolarHBondContact O-N 3.39Å; H393-T397 VanDerWaalsContact CA-OG1 3.24Å; H393-T397 WeakPolarHBondContact CA-OG1 3.27Å; H393-T397 PolarHBondContact ND1-OG1 3Å; H393-T397 VanDerWaalsContact ND1-OG1 3.12Å; H393-T397 PolarHBondContact O-OG1 3.42Å; H393-T397 VanDerWaalsContact O-OG1 3.14Å; H393-G398 PolarHBondContact O-N 3.5Å; H393-K399 HydrophobicContact CB-CB 4.34Å; H393-K399 PolarHBondContact O-N 3.27Å; H393-E402 HydrophobicContact CB-CB 4.46Å; H393-A403 HydrophobicContact CB-CB 3.96Å; H393-H406 AromaticContact CD2-CD2 3.93Å
394L92.3Very high92Very high42 Ų4238.2 Ų38.222%0.2219%0.194CC..Iπ-helixtrans-66.1-42.2-178.8-174.664.2000112.4A390 E391 F392 A403 Y407 I430A390-L394 WeakPolarHBondContact O-CB 3.43Å; A390-L394 PolarHBondContact O-N 3.45Å; E391-L394 PolarHBondContact O-N 3.01Å; F392-L394 PolarHBondContact O-N 2.93Å; L394-A403 HydrophobicContact CB-CB 4Å; L394-Y407 HydrophobicContact CD2-CE2 4.24Å; L394-I430 HydrophobicContact CD1-CD1 4.15Å; L394-I430 HydrophobicContact CD1-CG1 4.48Å; L394-I430 HydrophobicContact CD2-CD1 4.26Å
395Y91.4Very high92.2Very high118 Ų11840.4 Ų40.446%0.46321%0.209SC..Iπ-helixtrans-101.3-25.2-170.9-63.3-55.4000115.1E391 R426E391-Y395 HydrophobicContact CB-CD2 4.16Å; E391-Y395 HydrophobicContact CB-CE2 4.34Å; E391-Y395 HydrophobicContact CG-CE2 4.25Å; E391-Y395 WeakPolarHBondContact O-CB 3.38Å; E391-Y395 WeakPolarHBondContact O-CD2 3.35Å; E391-Y395 PolarHBondContact O-N 3.44Å; Y395-R426 PolarHBondContact OH-NH1 3.26Å
396H91.6Very high92.2Very high60 Ų6041.6 Ų41.628%0.27821%0.214SC..Iπ-helixtrans-111.8-40.5-174.2-61.4-69.9000113.3G351 E352 L356 F392G351-H396 PolarHBondContact O-ND1 3.46Å; E352-H396 PolarHBondContact N-CE1 3Å; L356-H396 HydrophobicContact CD2-CB 4.13Å; F392-H396 HydrophobicContact CD2-CB 3.83Å; F392-H396 AromaticContact CD2-CD2 3.83Å; F392-H396 HydrophobicContact CE2-CB 3.88Å; F392-H396 WeakPolarHBondContact O-CA 3.34Å; F392-H396 VanDerWaalsContact O-CB 3.32Å; F392-H396 WeakPolarHBondContact O-CB 3.38Å; F392-H396 PolarHBondContact O-N 3.02Å
397T91.2Very high92.4Very high40 Ų4040.3 Ų40.325%0.24521%0.208CC..Iπ-helixtrans-96.5-15-179.372.80000113.5L356 F392 H393 K399L356-T397 HydrophobicContact CD2-CG2 4.45Å; F392-T397 HydrophobicContact CD1-CG2 4.23Å; F392-T397 HydrophobicContact CE1-CG2 3.58Å; F392-T397 HydrophobicContact CE2-CG2 4.28Å; F392-T397 HydrophobicContact CZ-CG2 3.61Å; F392-T397 PolarHBondContact O-N 3.02Å; H393-T397 VanDerWaalsContact CA-OG1 3.24Å; H393-T397 WeakPolarHBondContact CA-OG1 3.27Å; H393-T397 PolarHBondContact ND1-OG1 3Å; H393-T397 VanDerWaalsContact ND1-OG1 3.12Å; H393-T397 PolarHBondContact O-OG1 3.42Å; H393-T397 VanDerWaalsContact O-OG1 3.14Å; T397-K399 PolarHBondContact O-N 2.92Å; T397-K399 VanDerWaalsContact OG1-CB 3.29Å; T397-K399 WeakPolarHBondContact OG1-CB 3.49Å; T397-K399 VanDerWaalsContact OG1-CG 3.31Å; T397-K399 WeakPolarHBondContact OG1-CG 3.32Å
398G88.3Confident92.3Very high63 Ų6340.9 Ų40.965%0.64921%0.212SC*.  trans68.816.6-176.500000113.8H393 Q400H393-G398 PolarHBondContact O-N 3.5Å; G398-Q400 PolarHBondContact O-N 2.98Å
399K91.6Very high92.1Very high97 Ų9741.3 Ų41.342%0.42222%0.216SC..  trans-94.985.8-172.1-70.7-157.7-167.9179.80110.5H393 T397 D401 E402 A403H393-K399 HydrophobicContact CB-CB 4.34Å; H393-K399 PolarHBondContact O-N 3.27Å; T397-K399 PolarHBondContact O-N 2.92Å; T397-K399 VanDerWaalsContact OG1-CB 3.29Å; T397-K399 WeakPolarHBondContact OG1-CB 3.49Å; T397-K399 VanDerWaalsContact OG1-CG 3.31Å; T397-K399 WeakPolarHBondContact OG1-CG 3.32Å; K399-D401 PolarHBondContact O-N 3.36Å; K399-E402 VanDerWaalsContact CB-OE2 3.31Å; K399-E402 WeakPolarHBondContact CB-OE2 3.47Å; K399-E402 VanDerWaalsContact CD-CD 3.45Å; K399-E402 WeakPolarHBondContact CD-OE1 3.45Å; K399-E402 IonicContact NZ-OE1 3.34Å; K399-E402 PolarHBondContact NZ-OE1 2.92Å; K399-A403 PolarHBondContact O-N 2.87Å
400Q89.6Confident91.8Very high54 Ų5440.7 Ų40.725%0.25221%0.214SC..Hα-helixtrans-68.4-34.8-168.4-170.8172.4-5.400113.2G398 A403 I404 I430G398-Q400 PolarHBondContact O-N 2.98Å; Q400-A403 WeakPolarHBondContact O-CB 3.46Å; Q400-A403 PolarHBondContact O-N 2.96Å; Q400-I404 HydrophobicContact CG-CD1 4.37Å; Q400-I404 WeakPolarHBondContact O-CG1 3.47Å; Q400-I404 PolarHBondContact O-N 3.18Å; Q400-I430 HydrophobicContact CG-CG2 4.18Å
401D89.1Confident91.5Very high83 Ų8340.9 Ų40.944%0.44422%0.215SC..Hα-helixtrans-70.9-44.9-177.3-61.4-22.4000111.2K399 A403 I404 T405 R434K399-D401 PolarHBondContact O-N 3.36Å; D401-A403 VanDerWaalsContact C-N 3.26Å; D401-A403 PolarHBondContact O-N 3.49Å; D401-I404 WeakPolarHBondContact O-CB 3.46Å; D401-I404 PolarHBondContact O-N 2.93Å; D401-I404 VanDerWaalsContact O-N 3.12Å; D401-T405 PolarHBondContact O-N 3.25Å; D401-T405 PolarHBondContact O-OG1 2.94Å; D401-R434 IonicContact OD1-CZ 3.87Å; D401-R434 IonicContact OD1-NH1 2.64Å; D401-R434 PolarHBondContact OD1-NH1 3.07Å
402E92Very high91.2Very high71 Ų7145.9 Ų45.933%0.33224%0.238SC..Hα-helixtrans-60.3-35.9171.3-70104.3133.700112.3H393 K399 T405 H406H393-E402 HydrophobicContact CB-CB 4.46Å; K399-E402 VanDerWaalsContact CB-OE2 3.31Å; K399-E402 WeakPolarHBondContact CB-OE2 3.47Å; K399-E402 VanDerWaalsContact CD-CD 3.45Å; K399-E402 WeakPolarHBondContact CD-OE1 3.45Å; K399-E402 IonicContact NZ-OE1 3.34Å; K399-E402 PolarHBondContact NZ-OE1 2.92Å; E402-T405 PolarHBondContact O-N 2.74Å; E402-H406 PolarHBondContact O-CD2 3.3Å; E402-H406 VanDerWaalsContact O-CD2 3.28Å; E402-H406 PolarHBondContact O-N 3.21Å; E402-H406 VanDerWaalsContact O-N 3.12Å
403A93.1Very high90.7Very high0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-64.2-41174.900000112.1A390 H393 L394 K399 Q400 D401 Y407A390-A403 WeakPolarHBondContact CB-O 3.07Å; A390-A403 WeakPolarHBondContact O-CB 3.31Å; H393-A403 HydrophobicContact CB-CB 3.96Å; L394-A403 HydrophobicContact CB-CB 4Å; K399-A403 PolarHBondContact O-N 2.87Å; Q400-A403 WeakPolarHBondContact O-CB 3.46Å; Q400-A403 PolarHBondContact O-N 2.96Å; D401-A403 VanDerWaalsContact C-N 3.26Å; D401-A403 PolarHBondContact O-N 3.49Å; A403-Y407 WeakPolarHBondContact O-CB 3.33Å; A403-Y407 WeakPolarHBondContact O-CD2 3.39Å; A403-Y407 PolarHBondContact O-N 3.37Å
404I93.1Very high90.1Very high8 Ų850.1 Ų50.14%0.04126%0.262CS..Hα-helixtrans-60.8-49.4174.8-71165.3000110Q400 D401 H406 Y407 T408 L427 I430 L443 V447Q400-I404 HydrophobicContact CG-CD1 4.37Å; Q400-I404 WeakPolarHBondContact O-CG1 3.47Å; Q400-I404 PolarHBondContact O-N 3.18Å; D401-I404 WeakPolarHBondContact O-CB 3.46Å; D401-I404 PolarHBondContact O-N 2.93Å; D401-I404 VanDerWaalsContact O-N 3.12Å; I404-H406 PolarHBondContact O-N 3.35Å; I404-Y407 PolarHBondContact O-N 3.04Å; I404-T408 WeakPolarHBondContact O-CB 3.35Å; I404-T408 PolarHBondContact O-N 2.93Å; I404-T408 PolarHBondContact O-OG1 2.97Å; I404-L427 HydrophobicContact CG2-CD2 4.29Å; I404-I430 HydrophobicContact CD1-CG2 3.64Å; I404-I430 HydrophobicContact CG1-CG2 3.68Å; I404-L443 HydrophobicContact CD1-CD2 4.18Å; I404-V447 HydrophobicContact CG2-CG2 3.34Å
405T91.8Very high89.4Confident73 Ų7350.3 Ų50.345%0.44827%0.266SS..Hα-helixtrans-53.7-52.1179.9-58.40000111.4D401 E402 T408 E409D401-T405 PolarHBondContact O-N 3.25Å; D401-T405 PolarHBondContact O-OG1 2.94Å; E402-T405 PolarHBondContact O-N 2.74Å; T405-T408 WeakPolarHBondContact O-CB 3.41Å; T405-T408 PolarHBondContact O-N 3.39Å; T405-E409 WeakPolarHBondContact O-CG 3.4Å; T405-E409 PolarHBondContact O-N 3.17Å
406H93Very high88.9Confident28 Ų2851.3 Ų51.313%0.1328%0.28CS..Hα-helixtrans-71.9-33.3-177.8-71.1-50000113.6H386 Y389 A390 H393 E402 I404 T408 E409 A410H386-H406 AromaticContact CE1-ND1 3.98Å; H386-H406 AromaticContact ND1-ND1 3.28Å; H386-H406 PolarHBondContact ND1-ND1 2.75Å; Y389-H406 AromaticContact CD1-CD2 3.31Å; Y389-H406 WeakPolarHBondContact CD1-CD2 3.41Å; Y389-H406 AromaticContact CD1-CE1 3.68Å; Y389-H406 AromaticContact CD1-CG 3.83Å; Y389-H406 AromaticContact CD1-NE2 3.21Å; Y389-H406 WeakPolarHBondContact CD1-NE2 3.48Å; Y389-H406 AromaticContact CE1-CD2 3.59Å; Y389-H406 AromaticContact CE1-CE1 3.75Å; Y389-H406 AromaticContact CE1-NE2 3.07Å; Y389-H406 WeakPolarHBondContact CE1-NE2 3.24Å; A390-H406 HydrophobicContact CB-CB 3.82Å; H393-H406 AromaticContact CD2-CD2 3.93Å; E402-H406 PolarHBondContact O-CD2 3.3Å; E402-H406 VanDerWaalsContact O-CD2 3.28Å; E402-H406 PolarHBondContact O-N 3.21Å; E402-H406 VanDerWaalsContact O-N 3.12Å; I404-H406 PolarHBondContact O-N 3.35Å; H406-T408 VanDerWaalsContact C-N 3.32Å; H406-E409 IonicContact CE1-OE2 3.68Å; H406-E409 IonicContact CG-OE2 2.78Å; H406-E409 IonicContact ND1-OE2 3.78Å; H406-E409 PolarHBondContact ND1-OE2 3.03Å; H406-E409 PolarHBondContact O-N 3.48Å; H406-A410 WeakPolarHBondContact O-CB 3.27Å; H406-A410 PolarHBondContact O-N 3.29Å
407Y94.3Very high88.4Confident0 Ų049.8 Ų49.80%027%0.274CS..Hα-helixtrans-64.5-38.7171.2-79.9-45000112.2H387 A390 E391 L394 A403 I404 L411 C423 R426 L427 I430H387-Y407 AromaticContact ND1-CE1 3.79Å; A390-Y407 HydrophobicContact CB-CD1 3.42Å; A390-Y407 VanDerWaalsContact CB-CD1 3.42Å; A390-Y407 HydrophobicContact CB-CD2 3.7Å; A390-Y407 HydrophobicContact CB-CE1 3.44Å; A390-Y407 VanDerWaalsContact CB-CE1 3.44Å; A390-Y407 HydrophobicContact CB-CE2 3.73Å; A390-Y407 HydrophobicContact CB-CG 3.54Å; E391-Y407 HydrophobicContact CG-CE1 4.45Å; E391-Y407 WeakPolarHBondContact CG-OH 3.36Å; L394-Y407 HydrophobicContact CD2-CE2 4.24Å; A403-Y407 WeakPolarHBondContact O-CB 3.33Å; A403-Y407 WeakPolarHBondContact O-CD2 3.39Å; A403-Y407 PolarHBondContact O-N 3.37Å; I404-Y407 PolarHBondContact O-N 3.04Å; Y407-L411 WeakPolarHBondContact O-CB 3.47Å; Y407-L411 PolarHBondContact O-N 2.78Å; Y407-C423 HydrophobicContact CD1-CB 4.2Å; Y407-R426 HydrophobicContact CD2-CB 4.35Å; Y407-R426 HydrophobicContact CE1-CB 4.39Å; Y407-R426 HydrophobicContact CE1-CG 4.44Å; Y407-R426 HydrophobicContact CE2-CB 3.97Å; Y407-L427 HydrophobicContact CD2-CD2 4.37Å; Y407-L427 HydrophobicContact CG-CD2 4.38Å; Y407-L427 HydrophobicContact CG-CG 4.45Å; Y407-I430 HydrophobicContact CD2-CD1 4.2Å; Y407-I430 HydrophobicContact CE2-CD1 4.14Å
408T89.9Confident87.8Confident13 Ų1351.4 Ų51.48%0.0828%0.276CS..Hα-helixtrans-64.1-47.4174.6-75.50000111.3I404 T405 H406 A410 L411 Q412 Q450I404-T408 WeakPolarHBondContact O-CB 3.35Å; I404-T408 PolarHBondContact O-N 2.93Å; I404-T408 PolarHBondContact O-OG1 2.97Å; T405-T408 WeakPolarHBondContact O-CB 3.41Å; T405-T408 PolarHBondContact O-N 3.39Å; H406-T408 VanDerWaalsContact C-N 3.32Å; T408-A410 VanDerWaalsContact C-N 3.34Å; T408-A410 PolarHBondContact O-N 3.27Å; T408-L411 WeakPolarHBondContact O-CB 3.28Å; T408-L411 PolarHBondContact O-N 3.25Å; T408-L411 VanDerWaalsContact O-N 3.11Å; T408-Q412 HydrophobicContact CG2-CG 4.42Å; T408-Q412 WeakPolarHBondContact O-CG 3.47Å; T408-Q412 PolarHBondContact O-N 3.37Å; T408-Q450 PolarHBondContact OG1-OE1 3.04Å
409E89.7Confident87.6Confident69 Ų6950.6 Ų50.632%0.32226%0.255SS..Hα-helixtrans-59.1-45.1176.2-72.7175.5152.500111.4H386 T405 H406 L411 Q412 L413H386-E409 IonicContact CE1-OE2 2.73Å; H386-E409 PolarHBondContact CE1-OE2 2.84Å; H386-E409 IonicContact ND1-OE2 3.02Å; H386-E409 PolarHBondContact ND1-OE2 3.22Å; T405-E409 WeakPolarHBondContact O-CG 3.4Å; T405-E409 PolarHBondContact O-N 3.17Å; H406-E409 IonicContact CE1-OE2 3.68Å; H406-E409 IonicContact CG-OE2 2.78Å; H406-E409 IonicContact ND1-OE2 3.78Å; H406-E409 PolarHBondContact ND1-OE2 3.03Å; H406-E409 PolarHBondContact O-N 3.48Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 3.22Å; E409-Q412 PolarHBondContact O-N 3.39Å; E409-L413 WeakPolarHBondContact O-CG 3.32Å; E409-L413 PolarHBondContact O-N 3.5Å
410A89.1Confident87.3Confident0 Ų046 Ų460%024%0.235CC..Hα-helixtrans-59.5-38.1175.200000112.4Q383 H386 H387 H406 T408Q383-A410 HydrophobicContact CG-CB 4.2Å; Q383-A410 WeakPolarHBondContact CG-O 3.27Å; Q383-A410 PolarHBondContact NE2-O 3.26Å; H386-A410 HydrophobicContact CB-CB 3.75Å; H387-A410 HydrophobicContact CB-CB 4.47Å; H406-A410 WeakPolarHBondContact O-CB 3.27Å; H406-A410 PolarHBondContact O-N 3.29Å; T408-A410 VanDerWaalsContact C-N 3.34Å; T408-A410 PolarHBondContact O-N 3.27Å
411L89.2Confident87.2Confident4 Ų447.4 Ų47.42%0.02124%0.241CC..Hα-helixtrans-69.6-42.3178.9-178.959.2000111.9Y407 T408 E409 L413 P415 C423 V424 L427 V451 A454Y407-L411 WeakPolarHBondContact O-CB 3.47Å; Y407-L411 PolarHBondContact O-N 2.78Å; T408-L411 WeakPolarHBondContact O-CB 3.28Å; T408-L411 PolarHBondContact O-N 3.25Å; T408-L411 VanDerWaalsContact O-N 3.11Å; E409-L411 VanDerWaalsContact C-N 3.27Å; E409-L411 PolarHBondContact O-N 3.22Å; L411-L413 PolarHBondContact O-N 2.89Å; L411-P415 HydrophobicContact CD1-CB 4.18Å; L411-P415 WeakPolarHBondContact O-CD 3.33Å; L411-P415 WeakPolarHBondContact O-CG 3.38Å; L411-C423 HydrophobicContact CB-CB 4.44Å; L411-V424 HydrophobicContact CD1-CG2 3.53Å; L411-V424 HydrophobicContact CD2-CG2 4.11Å; L411-V424 HydrophobicContact CG-CG2 4.49Å; L411-L427 HydrophobicContact CD2-CD1 3.96Å; L411-V451 HydrophobicContact CD2-CG2 4.01Å; L411-A454 HydrophobicContact CD1-CB 3.76Å; L411-A454 HydrophobicContact CD2-CB 3.73Å; L411-A454 HydrophobicContact CG-CB 3.68Å
412Q86Confident87.2Confident134 Ų13445.1 Ų45.163%0.62623%0.227SC*.Hα-helixtrans-65.2-26.3-179.9-71.91783.400113.2T408 E409T408-Q412 HydrophobicContact CG2-CG 4.42Å; T408-Q412 WeakPolarHBondContact O-CG 3.47Å; T408-Q412 PolarHBondContact O-N 3.37Å; E409-Q412 PolarHBondContact O-N 3.39Å
413L84.7Confident87.1Confident52 Ų5241.8 Ų41.827%0.27221%0.212SC..Hα-helixtrans-68.5-61.2178.6-70.9173.1000112.8V379 R382 Q383 E409 L411V379-L413 HydrophobicContact CG1-CB 4.06Å; V379-L413 HydrophobicContact CG1-CD2 4.31Å; R382-L413 HydrophobicContact CB-CD1 3.92Å; Q383-L413 HydrophobicContact CB-CB 4.48Å; Q383-L413 HydrophobicContact CB-CD1 4.13Å; E409-L413 WeakPolarHBondContact O-CG 3.32Å; E409-L413 PolarHBondContact O-N 3.5Å; L411-L413 PolarHBondContact O-N 2.89Å
414V81.1Confident87Confident44 Ų4442.5 Ų42.527%0.26722%0.216SC..  trans-145.491.4-180-162.20000110.6V379 Q383 N416 T417V379-V414 HydrophobicContact CB-CG2 4.27Å; V379-V414 HydrophobicContact CG1-CG2 3.42Å; V379-V414 VanDerWaalsContact CG1-CG2 3.42Å; Q383-V414 PolarHBondContact NE2-O 3.27Å; V414-N416 VanDerWaalsContact C-N 3.28Å; V414-N416 PolarHBondContact O-N 3.19Å; V414-T417 HydrophobicContact CB-CG2 3.85Å; V414-T417 HydrophobicContact CG1-CG2 3.59Å; V414-T417 PolarHBondContact O-OG1 2.95Å; V414-T417 VanDerWaalsContact O-OG1 3.08Å
415P78.8Confident87Confident45 Ų4548.1 Ų48.129%0.29224%0.24SC..THydrogen-bonded Turntrans-59.9-33.3-174.3-26.132.3000115.2L411 T417 A454L411-P415 HydrophobicContact CD1-CB 4.18Å; L411-P415 WeakPolarHBondContact O-CD 3.33Å; L411-P415 WeakPolarHBondContact O-CG 3.38Å; P415-T417 PolarHBondContact O-N 2.98Å; P415-A454 HydrophobicContact CB-CB 4.24Å; P415-A454 HydrophobicContact CG-CB 4.33Å
416N79Confident87.1Confident140 Ų14048.3 Ų48.375%0.74923%0.233SC*.THydrogen-bonded Turntrans-85.2-3.9-168.4-68.1-28.2000114.9V414V414-N416 VanDerWaalsContact C-N 3.28Å; V414-N416 PolarHBondContact O-N 3.19Å
417T81.2Confident87.1Confident28 Ų2847 Ų4717%0.17223%0.226CC..SBendtrans-72.2165.8175.4580000111.3Q383 V414 P415 E419 G420 K421Q383-T417 PolarHBondContact NE2-OG1 3.19Å; Q383-T417 PolarHBondContact OE1-OG1 3Å; V414-T417 HydrophobicContact CB-CG2 3.85Å; V414-T417 HydrophobicContact CG1-CG2 3.59Å; V414-T417 PolarHBondContact O-OG1 2.95Å; V414-T417 VanDerWaalsContact O-OG1 3.08Å; P415-T417 PolarHBondContact O-N 2.98Å; T417-E419 VanDerWaalsContact C-N 3.3Å; T417-E419 PolarHBondContact O-N 3.28Å; T417-G420 PolarHBondContact O-N 2.92Å; T417-G420 PolarHBondContact OG1-N 2.62Å; T417-K421 WeakPolarHBondContact O-CG 3.4Å; T417-K421 PolarHBondContact O-N 2.88Å
418W80.2Confident87.1Confident73 Ų7350.2 Ų50.228%0.27724%0.241SC..Hα-helixtrans-59.6-44.7174176.985.2000110.9T195 G420 K421 Q422T195-W418 HydrophobicContact CG2-CB 3.7Å; W418-G420 PolarHBondContact O-N 3.44Å; W418-K421 PolarHBondContact O-N 3.19Å; W418-Q422 HydrophobicContact CD2-CG 3.94Å; W418-Q422 HydrophobicContact CE3-CG 4.09Å; W418-Q422 HydrophobicContact CH2-CG 3.76Å; W418-Q422 HydrophobicContact CZ2-CG 3.61Å; W418-Q422 HydrophobicContact CZ3-CG 3.99Å; W418-Q422 WeakPolarHBondContact O-CG 3.31Å; W418-Q422 PolarHBondContact O-N 3.39Å
419E82.4Confident87.3Confident46 Ų4656.7 Ų56.722%0.21527%0.268CS..Hα-helixtrans-58.4-46.6175.2-68.576.1-171.600111.1Q383 L384 T417 K421 Q422 C423Q383-E419 HydrophobicContact CG-CB 4.1Å; L384-E419 HydrophobicContact CD1-CG 4.26Å; T417-E419 VanDerWaalsContact C-N 3.3Å; T417-E419 PolarHBondContact O-N 3.28Å; E419-K421 PolarHBondContact O-N 3.47Å; E419-Q422 WeakPolarHBondContact O-CB 3.41Å; E419-Q422 PolarHBondContact O-N 3.46Å; E419-Q422 VanDerWaalsContact O-N 3.1Å; E419-C423 PolarHBondContact O-N 2.81Å; E419-C423 PolarHBondContact O-SG 2.84Å
420G86.1Confident87.4Confident0 Ų054 Ų540%026%0.255CS..Hα-helixtrans-57.7-46.2176.200000112.4T417 W418 Q422 C423 V424T417-G420 PolarHBondContact O-N 2.92Å; T417-G420 PolarHBondContact OG1-N 2.62Å; W418-G420 PolarHBondContact O-N 3.44Å; G420-Q422 VanDerWaalsContact C-N 3.33Å; G420-Q422 PolarHBondContact O-N 2.69Å; G420-C423 WeakPolarHBondContact O-CB 3.39Å; G420-C423 PolarHBondContact O-N 3.39Å; G420-C423 VanDerWaalsContact O-N 3.17Å; G420-V424 PolarHBondContact O-N 3.07Å
421K86.9Confident87.5Confident85 Ų8554 Ų5437%0.3726%0.256SS..Hα-helixtrans-63-36.7174.4-66.9176.2-166.7176.30112.7E197 T417 W418 E419 V424 K425E197-K421 WeakPolarHBondContact OE2-CD 3.34Å; E197-K421 IonicContact OE2-NZ 2.71Å; E197-K421 PolarHBondContact OE2-NZ 2.98Å; T417-K421 WeakPolarHBondContact O-CG 3.4Å; T417-K421 PolarHBondContact O-N 2.88Å; W418-K421 PolarHBondContact O-N 3.19Å; E419-K421 PolarHBondContact O-N 3.47Å; K421-V424 PolarHBondContact O-N 2.83Å; K421-K425 WeakPolarHBondContact O-CG 3.49Å; K421-K425 PolarHBondContact O-N 3.09Å; K421-K425 VanDerWaalsContact O-N 3.13Å
422Q88.8Confident87.7Confident35 Ų3558.3 Ų58.316%0.16428%0.279CS..Hα-helixtrans-66.4-41.7173.7-64.3-45.4-52.900111.1W418 E419 G420 V424 K425 R426W418-Q422 HydrophobicContact CD2-CG 3.94Å; W418-Q422 HydrophobicContact CE3-CG 4.09Å; W418-Q422 HydrophobicContact CH2-CG 3.76Å; W418-Q422 HydrophobicContact CZ2-CG 3.61Å; W418-Q422 HydrophobicContact CZ3-CG 3.99Å; W418-Q422 WeakPolarHBondContact O-CG 3.31Å; W418-Q422 PolarHBondContact O-N 3.39Å; E419-Q422 WeakPolarHBondContact O-CB 3.41Å; E419-Q422 PolarHBondContact O-N 3.46Å; E419-Q422 VanDerWaalsContact O-N 3.1Å; G420-Q422 VanDerWaalsContact C-N 3.33Å; G420-Q422 PolarHBondContact O-N 2.69Å; Q422-V424 VanDerWaalsContact C-N 3.34Å; Q422-V424 PolarHBondContact O-N 3.19Å; Q422-K425 PolarHBondContact O-N 3.04Å; Q422-R426 WeakPolarHBondContact O-CG 3.46Å; Q422-R426 PolarHBondContact O-N 3.21Å
423C91.2Very high88Confident0 Ų058.4 Ų58.40%027%0.274CS..Hα-helixtrans-57.1-46.7174.3-640000111H387 Y407 L411 E419 G420 K425 R426 L427H387-C423 PolarHBondContact ND1-SG 3.43Å; Y407-C423 HydrophobicContact CD1-CB 4.2Å; L411-C423 HydrophobicContact CB-CB 4.44Å; E419-C423 PolarHBondContact O-N 2.81Å; E419-C423 PolarHBondContact O-SG 2.84Å; G420-C423 WeakPolarHBondContact O-CB 3.39Å; G420-C423 PolarHBondContact O-N 3.39Å; G420-C423 VanDerWaalsContact O-N 3.17Å; C423-K425 PolarHBondContact O-N 3.36Å; C423-R426 PolarHBondContact O-N 3.34Å; C423-L427 WeakPolarHBondContact O-CB 3.1Å; C423-L427 VanDerWaalsContact O-CG 3.31Å; C423-L427 WeakPolarHBondContact O-CG 3.28Å; C423-L427 PolarHBondContact O-N 3.09Å
424V91.4Very high88.3Confident15 Ų1558.3 Ų58.39%0.09127%0.27CS..Hα-helixtrans-53.5-50.2174.3166.40000111.8L411 G420 K421 Q422 R426 L427 K428 V451 E455L411-V424 HydrophobicContact CD1-CG2 3.53Å; L411-V424 HydrophobicContact CD2-CG2 4.11Å; L411-V424 HydrophobicContact CG-CG2 4.49Å; G420-V424 PolarHBondContact O-N 3.07Å; K421-V424 PolarHBondContact O-N 2.83Å; Q422-V424 VanDerWaalsContact C-N 3.34Å; Q422-V424 PolarHBondContact O-N 3.19Å; V424-R426 VanDerWaalsContact C-N 3.34Å; V424-R426 PolarHBondContact O-N 3.22Å; V424-L427 PolarHBondContact O-N 3.01Å; V424-K428 HydrophobicContact CG1-CD 4.18Å; V424-K428 WeakPolarHBondContact O-CB 3.26Å; V424-K428 WeakPolarHBondContact O-CG 3.37Å; V424-K428 PolarHBondContact O-N 3.39Å; V424-V451 HydrophobicContact CB-CG1 4.37Å; V424-V451 HydrophobicContact CG1-CG1 3.71Å; V424-V451 HydrophobicContact CG2-CG1 4.26Å; V424-E455 WeakPolarHBondContact CG1-OE1 3.25Å
425K91.9Very high88.8Confident126 Ų12657.6 Ų57.655%0.54827%0.265SS..Hα-helixtrans-61.2-41.8179.9-71.3177.1-176.6179.20112K421 Q422 C423 K429K421-K425 WeakPolarHBondContact O-CG 3.49Å; K421-K425 PolarHBondContact O-N 3.09Å; K421-K425 VanDerWaalsContact O-N 3.13Å; Q422-K425 PolarHBondContact O-N 3.04Å; C423-K425 PolarHBondContact O-N 3.36Å; K425-K429 PolarHBondContact O-N 3.47Å
426R93.1Very high89.5Confident77 Ų7759.4 Ų59.429%0.29128%0.279SS..Hα-helixtrans-70-46180-66.2-60.9-177.6177.15.2112Y395 Y407 Q422 C423 V424 K429 I430Y395-R426 PolarHBondContact OH-NH1 3.26Å; Y407-R426 HydrophobicContact CD2-CB 4.35Å; Y407-R426 HydrophobicContact CE1-CB 4.39Å; Y407-R426 HydrophobicContact CE1-CG 4.44Å; Y407-R426 HydrophobicContact CE2-CB 3.97Å; Q422-R426 WeakPolarHBondContact O-CG 3.46Å; Q422-R426 PolarHBondContact O-N 3.21Å; C423-R426 PolarHBondContact O-N 3.34Å; V424-R426 VanDerWaalsContact C-N 3.34Å; V424-R426 PolarHBondContact O-N 3.22Å; R426-K429 PolarHBondContact O-N 3.32Å; R426-I430 WeakPolarHBondContact O-CG1 3.49Å; R426-I430 PolarHBondContact O-N 3.29Å
427L94Very high90.1Very high0 Ų059.7 Ų59.70%028%0.275CS..Hα-helixtrans-60.4-46.1177.5-74.3172.2000111.8I404 Y407 L411 C423 V424 K429 I430 A431 V447 V451I404-L427 HydrophobicContact CG2-CD2 4.29Å; Y407-L427 HydrophobicContact CD2-CD2 4.37Å; Y407-L427 HydrophobicContact CG-CD2 4.38Å; Y407-L427 HydrophobicContact CG-CG 4.45Å; L411-L427 HydrophobicContact CD2-CD1 3.96Å; C423-L427 WeakPolarHBondContact O-CB 3.1Å; C423-L427 VanDerWaalsContact O-CG 3.31Å; C423-L427 WeakPolarHBondContact O-CG 3.28Å; C423-L427 PolarHBondContact O-N 3.09Å; V424-L427 PolarHBondContact O-N 3.01Å; L427-K429 VanDerWaalsContact C-N 3.31Å; L427-K429 PolarHBondContact O-N 3.32Å; L427-I430 PolarHBondContact O-N 3.03Å; L427-A431 WeakPolarHBondContact O-CB 3.25Å; L427-A431 PolarHBondContact O-N 3.49Å; L427-V447 HydrophobicContact CB-CG1 3.78Å; L427-V447 HydrophobicContact CD2-CG1 3.81Å; L427-V447 HydrophobicContact CG-CG1 4.27Å; L427-V451 HydrophobicContact CB-CG2 3.74Å; L427-V451 HydrophobicContact CD1-CG2 3.85Å; L427-V451 HydrophobicContact CG-CG2 4.46Å
428K94.1Very high90.5Very high69 Ų6962.2 Ų62.230%0.329%0.288SS..Hα-helixtrans-57.7-43.4174.4-76.7-179.2172.5173.30112V424 N432 L448 V451 E455V424-K428 HydrophobicContact CG1-CD 4.18Å; V424-K428 WeakPolarHBondContact O-CB 3.26Å; V424-K428 WeakPolarHBondContact O-CG 3.37Å; V424-K428 PolarHBondContact O-N 3.39Å; K428-N432 VanDerWaalsContact O-CB 3.31Å; K428-N432 WeakPolarHBondContact O-CB 3.31Å; K428-N432 PolarHBondContact O-N 2.71Å; K428-N432 PolarHBondContact O-ND2 3.21Å; K428-L448 HydrophobicContact CG-CD2 4.29Å; K428-V451 HydrophobicContact CD-CG1 4.24Å; K428-V451 VanDerWaalsContact CE-CG1 3.42Å; K428-V451 HydrophobicContact CG-CG1 4.03Å; K428-E455 IonicContact NZ-OE1 3.49Å; K428-E455 PolarHBondContact NZ-OE1 3.3Å; K428-E455 IonicContact NZ-OE2 3.76Å; K428-E455 PolarHBondContact NZ-OE2 3.08Å
429K93.7Very high90.9Very high148 Ų14866.3 Ų66.364%0.64331%0.308SS*.Hα-helixtrans-64.3-43.6178.7-174.8175.1-179.8178.30111.8K425 R426 L427 Y433K425-K429 PolarHBondContact O-N 3.47Å; R426-K429 PolarHBondContact O-N 3.32Å; L427-K429 VanDerWaalsContact C-N 3.31Å; L427-K429 PolarHBondContact O-N 3.32Å; K429-Y433 WeakPolarHBondContact O-CB 3.41Å; K429-Y433 PolarHBondContact O-N 3.44Å; K429-Y433 VanDerWaalsContact O-N 3.17Å
430I92.2Very high91.1Very high12 Ų1269.8 Ų69.86%0.06233%0.328CS..Hα-helixtrans-62.6-51.5177.3-74.5164.7000110.3L394 Q400 I404 Y407 R426 L427 N432 Y433 R434L394-I430 HydrophobicContact CD1-CD1 4.15Å; L394-I430 HydrophobicContact CD1-CG1 4.48Å; L394-I430 HydrophobicContact CD2-CD1 4.26Å; Q400-I430 HydrophobicContact CG-CG2 4.18Å; I404-I430 HydrophobicContact CD1-CG2 3.64Å; I404-I430 HydrophobicContact CG1-CG2 3.68Å; Y407-I430 HydrophobicContact CD2-CD1 4.2Å; Y407-I430 HydrophobicContact CE2-CD1 4.14Å; R426-I430 WeakPolarHBondContact O-CG1 3.49Å; R426-I430 PolarHBondContact O-N 3.29Å; L427-I430 PolarHBondContact O-N 3.03Å; I430-N432 PolarHBondContact O-N 3.47Å; I430-Y433 PolarHBondContact O-N 2.87Å; I430-R434 WeakPolarHBondContact O-CG 3.42Å; I430-R434 PolarHBondContact O-N 3.25Å
431A92.1Very high91.2Very high1 Ų170.7 Ų70.71%0.00833%0.333CS..Hα-helixtrans-62.5-44.7-178.100000112.4L427 Y433 R434 L435 A444 V447 L448L427-A431 WeakPolarHBondContact O-CB 3.25Å; L427-A431 PolarHBondContact O-N 3.49Å; A431-Y433 VanDerWaalsContact C-N 3.3Å; A431-Y433 PolarHBondContact O-N 3.02Å; A431-R434 PolarHBondContact O-N 2.98Å; A431-L435 WeakPolarHBondContact O-CG 3.27Å; A431-L435 PolarHBondContact O-N 3.45Å; A431-A444 HydrophobicContact CB-CB 4.28Å; A431-V447 HydrophobicContact CB-CB 4.34Å; A431-V447 HydrophobicContact CB-CG1 4.12Å; A431-L448 HydrophobicContact CB-CD1 4.34Å; A431-L448 HydrophobicContact CB-CD2 3.9Å; A431-L448 HydrophobicContact CB-CG 3.76Å
432N93Very high91.4Very high95 Ų9567.9 Ų67.951%0.50832%0.323SS..Hα-helixtrans-63.9-35.4178.5-71.2-14.8000112.7K428 I430 S436K428-N432 VanDerWaalsContact O-CB 3.31Å; K428-N432 WeakPolarHBondContact O-CB 3.31Å; K428-N432 PolarHBondContact O-N 2.71Å; K428-N432 PolarHBondContact O-ND2 3.21Å; I430-N432 PolarHBondContact O-N 3.47Å; N432-S436 PolarHBondContact O-N 3.34Å; N432-S436 VanDerWaalsContact O-N 3.13Å
433Y92.1Very high91.3Very high135 Ų13568.7 Ų68.753%0.52933%0.329SS..Hα-helixtrans-67.4-42.6174.7175.9-97.6000111.5K429 I430 A431 S436 E437K429-Y433 WeakPolarHBondContact O-CB 3.41Å; K429-Y433 PolarHBondContact O-N 3.44Å; K429-Y433 VanDerWaalsContact O-N 3.17Å; I430-Y433 PolarHBondContact O-N 2.87Å; A431-Y433 VanDerWaalsContact C-N 3.3Å; A431-Y433 PolarHBondContact O-N 3.02Å; Y433-S436 PolarHBondContact O-N 3.33Å; Y433-S436 PolarHBondContact O-OG 2.69Å; Y433-E437 HydrophobicContact CE1-CG 4.41Å; Y433-E437 PolarHBondContact O-N 3.08Å
434R91.7Very high91.3Very high50 Ų5068.8 Ų68.819%0.18933%0.329CS..Hα-helixtrans-61.9-44.8175.8-69.2-179.470.9116.81.3111.6D401 I430 A431 S436 E437 D438 D441 A444D401-R434 IonicContact OD1-CZ 3.87Å; D401-R434 IonicContact OD1-NH1 2.64Å; D401-R434 PolarHBondContact OD1-NH1 3.07Å; I430-R434 WeakPolarHBondContact O-CG 3.42Å; I430-R434 PolarHBondContact O-N 3.25Å; A431-R434 PolarHBondContact O-N 2.98Å; R434-S436 PolarHBondContact O-N 3.04Å; R434-E437 PolarHBondContact O-N 3.5Å; R434-E437 VanDerWaalsContact O-N 3.09Å; R434-D438 PolarHBondContact O-N 2.89Å; R434-D441 IonicContact CZ-OD2 3.46Å; R434-D441 VanDerWaalsContact CZ-OD2 3.25Å; R434-D441 IonicContact NE-OD2 2.68Å; R434-D441 PolarHBondContact NE-OD2 3.4Å; R434-D441 IonicContact NH2-OD1 3.14Å; R434-D441 IonicContact NH2-OD2 2.73Å; R434-D441 PolarHBondContact NH2-OD2 3.27Å; R434-A444 HydrophobicContact CB-CB 3.93Å
435L91.8Very high91.3Very high30 Ų3070.1 Ų70.116%0.15733%0.333CS..Hα-helixtrans-64.7-23.6176.2-70.5173.4000114.5A431 D438 A444 Y445 L448A431-L435 WeakPolarHBondContact O-CG 3.27Å; A431-L435 PolarHBondContact O-N 3.45Å; L435-D438 VanDerWaalsContact CA-O 3.3Å; L435-D438 WeakPolarHBondContact CA-O 3.48Å; L435-A444 HydrophobicContact CD1-CB 4.4Å; L435-A444 HydrophobicContact CD2-CB 3.9Å; L435-A444 HydrophobicContact CG-CB 3.72Å; L435-Y445 HydrophobicContact CD1-CD1 4.29Å; L435-Y445 HydrophobicContact CD1-CE1 3.99Å; L435-Y445 HydrophobicContact CD2-CD1 4.34Å; L435-Y445 HydrophobicContact CD2-CD2 4.06Å; L435-Y445 HydrophobicContact CD2-CE1 3.92Å; L435-Y445 HydrophobicContact CD2-CE2 3.62Å; L435-Y445 HydrophobicContact CD2-CG 4.39Å; L435-L448 HydrophobicContact CD1-CD1 3.69Å
436S92.3Very high91.2Very high83 Ų8364.3 Ų64.358%0.5831%0.308SS*.Hα-helixtrans-76.7-27.7173.960.10000113.1N432 Y433 R434N432-S436 PolarHBondContact O-N 3.34Å; N432-S436 VanDerWaalsContact O-N 3.13Å; Y433-S436 PolarHBondContact O-N 3.33Å; Y433-S436 PolarHBondContact O-OG 2.69Å; R434-S436 PolarHBondContact O-N 3.04Å
437E91.6Very high91.1Very high146 Ų14660.8 Ų60.868%0.68230%0.295SS*.Hα-helixtrans-86.5-43.4176.5-65.9-69.2122.800111.2Y433 R434Y433-E437 HydrophobicContact CE1-CG 4.41Å; Y433-E437 PolarHBondContact O-N 3.08Å; R434-E437 PolarHBondContact O-N 3.5Å; R434-E437 VanDerWaalsContact O-N 3.09Å
438D90.2Very high91.1Very high81 Ų8161.4 Ų61.443%0.43330%0.299SS..  trans-134.3111179.7-176.41.2000110.5R434 L435 D440 D441R434-D438 PolarHBondContact O-N 2.89Å; L435-D438 VanDerWaalsContact CA-O 3.3Å; L435-D438 WeakPolarHBondContact CA-O 3.48Å; D438-D440 PolarHBondContact O-N 3.28Å; D438-D440 PolarHBondContact OD1-N 3.11Å; D438-D441 HydrophobicContact CB-CB 4.28Å; D438-D441 PolarHBondContact O-N 3.33Å
439K87.8Confident90.9Very high159 Ų15958.1 Ų58.169%0.69128%0.284SS*.THydrogen-bonded Turntrans-71.6-18.1-177.2-70-175.5179.2177.30113.4Y445K439-Y445 WeakPolarHBondContact O-CE2 3.44Å; K439-Y445 PolarHBondContact O-OH 2.88Å; K439-Y445 VanDerWaalsContact O-OH 3.06Å
440D87.1Confident90.8Very high119 Ų11953 Ų5364%0.63626%0.263SS*.THydrogen-bonded Turntrans-106.119.1-176.6-57.1-31.8000111.2D438 S442 C471D438-D440 PolarHBondContact O-N 3.28Å; D438-D440 PolarHBondContact OD1-N 3.11Å; D440-S442 PolarHBondContact O-N 3.35Å; D440-C471 WeakPolarHBondContact O-CB 3.4Å
441D89.2Confident90.7Very high19 Ų1952.5 Ų52.510%0.10226%0.26CS..  trans-70.299.8175.8-172.2-29.2000111.5R434 D438 L443 A444 Y445R434-D441 IonicContact CZ-OD2 3.46Å; R434-D441 VanDerWaalsContact CZ-OD2 3.25Å; R434-D441 IonicContact NE-OD2 2.68Å; R434-D441 PolarHBondContact NE-OD2 3.4Å; R434-D441 IonicContact NH2-OD1 3.14Å; R434-D441 IonicContact NH2-OD2 2.73Å; R434-D441 PolarHBondContact NH2-OD2 3.27Å; D438-D441 HydrophobicContact CB-CB 4.28Å; D438-D441 PolarHBondContact O-N 3.33Å; D441-L443 VanDerWaalsContact C-N 3.29Å; D441-L443 PolarHBondContact O-N 2.9Å; D441-L443 WeakPolarHBondContact OD1-CA 3.21Å; D441-L443 VanDerWaalsContact OD1-CB 3.31Å; D441-L443 WeakPolarHBondContact OD1-CB 3.44Å; D441-L443 PolarHBondContact OD1-N 3.04Å; D441-A444 HydrophobicContact CB-CB 3.99Å; D441-A444 PolarHBondContact O-N 3.43Å; D441-A444 PolarHBondContact OD1-N 3.26Å; D441-Y445 VanDerWaalsContact O-CD2 3.31Å; D441-Y445 WeakPolarHBondContact O-CD2 3.44Å; D441-Y445 PolarHBondContact O-N 3.18Å
442S89.3Confident90.7Very high25 Ų2552.7 Ų52.718%0.17526%0.262CS..Hα-helixtrans-61.8-33.4179.876.90000113.3D440 Y445 S446D440-S442 PolarHBondContact O-N 3.35Å; S442-Y445 PolarHBondContact O-N 2.85Å; S442-S446 PolarHBondContact O-N 3.25Å
443L88.1Confident90.5Very high53 Ų5351.4 Ų51.428%0.27725%0.252SS..Hα-helixtrans-69.2-40179.2-17767.5000110.5I404 D441 Y445 S446 V447I404-L443 HydrophobicContact CD1-CD2 4.18Å; D441-L443 VanDerWaalsContact C-N 3.29Å; D441-L443 PolarHBondContact O-N 2.9Å; D441-L443 WeakPolarHBondContact OD1-CA 3.21Å; D441-L443 VanDerWaalsContact OD1-CB 3.31Å; D441-L443 WeakPolarHBondContact OD1-CB 3.44Å; D441-L443 PolarHBondContact OD1-N 3.04Å; L443-Y445 PolarHBondContact O-N 3.37Å; L443-S446 WeakPolarHBondContact O-CB 3.4Å; L443-S446 PolarHBondContact O-N 3.27Å; L443-V447 WeakPolarHBondContact O-CG2 3.43Å; L443-V447 PolarHBondContact O-N 3.06Å
444A89.8Confident90.2Very high1 Ų146.4 Ų46.41%0.00824%0.238CC..Hα-helixtrans-63.2-41.3177.500000112.1A431 R434 L435 D441 V447 L448A431-A444 HydrophobicContact CB-CB 4.28Å; R434-A444 HydrophobicContact CB-CB 3.93Å; L435-A444 HydrophobicContact CD1-CB 4.4Å; L435-A444 HydrophobicContact CD2-CB 3.9Å; L435-A444 HydrophobicContact CG-CB 3.72Å; D441-A444 HydrophobicContact CB-CB 3.99Å; D441-A444 PolarHBondContact O-N 3.43Å; D441-A444 PolarHBondContact OD1-N 3.26Å; A444-V447 PolarHBondContact O-N 2.94Å; A444-L448 WeakPolarHBondContact O-CG 3.41Å; A444-L448 PolarHBondContact O-N 3.48Å; A444-L448 VanDerWaalsContact O-N 3.12Å
445Y91.3Very high90Very high43 Ų4349.1 Ų49.117%0.16925%0.253CS..Hα-helixtrans-64.7-41.7172.8-72.2-60.2000112.4L435 K439 D441 S442 L443 V447 L448 A449 F464 K467L435-Y445 HydrophobicContact CD1-CD1 4.29Å; L435-Y445 HydrophobicContact CD1-CE1 3.99Å; L435-Y445 HydrophobicContact CD2-CD1 4.34Å; L435-Y445 HydrophobicContact CD2-CD2 4.06Å; L435-Y445 HydrophobicContact CD2-CE1 3.92Å; L435-Y445 HydrophobicContact CD2-CE2 3.62Å; L435-Y445 HydrophobicContact CD2-CG 4.39Å; K439-Y445 WeakPolarHBondContact O-CE2 3.44Å; K439-Y445 PolarHBondContact O-OH 2.88Å; K439-Y445 VanDerWaalsContact O-OH 3.06Å; D441-Y445 VanDerWaalsContact O-CD2 3.31Å; D441-Y445 WeakPolarHBondContact O-CD2 3.44Å; D441-Y445 PolarHBondContact O-N 3.18Å; S442-Y445 PolarHBondContact O-N 2.85Å; L443-Y445 PolarHBondContact O-N 3.37Å; Y445-V447 VanDerWaalsContact C-N 3.35Å; Y445-V447 PolarHBondContact O-N 2.94Å; Y445-L448 PolarHBondContact O-N 3.02Å; Y445-A449 WeakPolarHBondContact O-CB 3.38Å; Y445-A449 PolarHBondContact O-N 3.05Å; Y445-F464 HydrophobicContact CD1-CD1 4.1Å; Y445-K467 HydrophobicContact CD1-CB 3.94Å; Y445-K467 HydrophobicContact CD1-CD 4.19Å; Y445-K467 HydrophobicContact CD2-CB 4.27Å; Y445-K467 HydrophobicContact CE1-CB 4.18Å; Y445-K467 HydrophobicContact CE1-CD 3.9Å; Y445-K467 HydrophobicContact CE2-CB 4.49Å; Y445-K467 HydrophobicContact CG-CB 4Å
446S91Very high89.7Confident5 Ų550.2 Ų50.24%0.03527%0.272CS..Hα-helixtrans-59.9-42.4175.5-178.50000112.8S442 L443 L448 A449 Q450 Y478S442-S446 PolarHBondContact O-N 3.25Å; L443-S446 WeakPolarHBondContact O-CB 3.4Å; L443-S446 PolarHBondContact O-N 3.27Å; S446-L448 PolarHBondContact O-N 2.73Å; S446-A449 WeakPolarHBondContact O-CB 3.4Å; S446-A449 PolarHBondContact O-N 3.47Å; S446-Q450 WeakPolarHBondContact O-CG 3.11Å; S446-Q450 PolarHBondContact O-N 3.25Å; S446-Y478 WeakPolarHBondContact OG-CE1 3.48Å
447V91.3Very high89.6Confident2 Ų248.8 Ų48.81%0.01226%0.257CS..Hα-helixtrans-61.2-45.7174.9169.90000111.3I404 L427 A431 L443 A444 Y445 A449 Q450 V451I404-V447 HydrophobicContact CG2-CG2 3.34Å; L427-V447 HydrophobicContact CB-CG1 3.78Å; L427-V447 HydrophobicContact CD2-CG1 3.81Å; L427-V447 HydrophobicContact CG-CG1 4.27Å; A431-V447 HydrophobicContact CB-CB 4.34Å; A431-V447 HydrophobicContact CB-CG1 4.12Å; L443-V447 WeakPolarHBondContact O-CG2 3.43Å; L443-V447 PolarHBondContact O-N 3.06Å; A444-V447 PolarHBondContact O-N 2.94Å; Y445-V447 VanDerWaalsContact C-N 3.35Å; Y445-V447 PolarHBondContact O-N 2.94Å; V447-A449 VanDerWaalsContact C-N 3.29Å; V447-A449 PolarHBondContact O-N 3.2Å; V447-Q450 PolarHBondContact O-N 2.91Å; V447-V451 VanDerWaalsContact O-CG2 3.29Å; V447-V451 WeakPolarHBondContact O-CG2 3.31Å; V447-V451 PolarHBondContact O-N 3.45Å
448L92.9Very high89.5Confident14 Ų1445.1 Ų45.17%0.07324%0.239CC..Hα-helixtrans-62.8-37.2176.5-70.4174.7000112K428 A431 L435 A444 Y445 S446 V451 A452 F464K428-L448 HydrophobicContact CG-CD2 4.29Å; A431-L448 HydrophobicContact CB-CD1 4.34Å; A431-L448 HydrophobicContact CB-CD2 3.9Å; A431-L448 HydrophobicContact CB-CG 3.76Å; L435-L448 HydrophobicContact CD1-CD1 3.69Å; A444-L448 WeakPolarHBondContact O-CG 3.41Å; A444-L448 PolarHBondContact O-N 3.48Å; A444-L448 VanDerWaalsContact O-N 3.12Å; Y445-L448 PolarHBondContact O-N 3.02Å; S446-L448 PolarHBondContact O-N 2.73Å; L448-V451 PolarHBondContact O-N 3.47Å; L448-A452 WeakPolarHBondContact O-CB 3.42Å; L448-A452 PolarHBondContact O-N 3.27Å; L448-F464 HydrophobicContact CB-CD1 4.1Å; L448-F464 HydrophobicContact CB-CD2 3.9Å; L448-F464 HydrophobicContact CB-CE1 4.24Å; L448-F464 HydrophobicContact CB-CE2 4.05Å; L448-F464 HydrophobicContact CB-CG 3.94Å; L448-F464 HydrophobicContact CB-CZ 4.22Å; L448-F464 HydrophobicContact CD1-CD1 4.33Å; L448-F464 HydrophobicContact CD1-CE1 3.95Å; L448-F464 HydrophobicContact CD1-CZ 4.25Å
449A91.1Very high89.5Confident0 Ų048.1 Ų48.10%025%0.248CC..Hα-helixtrans-62.8-47.1175.800000111.9Y445 S446 V447 V451 A452 K453 A461 F464 Y465Y445-A449 WeakPolarHBondContact O-CB 3.38Å; Y445-A449 PolarHBondContact O-N 3.05Å; S446-A449 WeakPolarHBondContact O-CB 3.4Å; S446-A449 PolarHBondContact O-N 3.47Å; V447-A449 VanDerWaalsContact C-N 3.29Å; V447-A449 PolarHBondContact O-N 3.2Å; A449-V451 VanDerWaalsContact C-N 3.32Å; A449-V451 PolarHBondContact O-N 3.08Å; A449-A452 PolarHBondContact O-N 2.65Å; A449-K453 WeakPolarHBondContact O-CB 3.49Å; A449-K453 PolarHBondContact O-N 3.35Å; A449-A461 WeakPolarHBondContact CB-O 3.42Å; A449-A461 WeakPolarHBondContact O-CB 3.35Å; A449-F464 HydrophobicContact CB-CB 3.6Å; A449-Y465 HydrophobicContact CB-CD1 3.69Å; A449-Y465 HydrophobicContact CB-CD2 3.62Å; A449-Y465 HydrophobicContact CB-CE1 3.65Å; A449-Y465 HydrophobicContact CB-CE2 3.59Å; A449-Y465 HydrophobicContact CB-CG 3.66Å
450Q90.1Very high89.6Confident41 Ų4145.6 Ų45.619%0.19224%0.238CC..Hα-helixtrans-62.4-39.9176.5-70.5175.6-3.500112.1T408 S446 V447 K453 A454 Y465T408-Q450 PolarHBondContact OG1-OE1 3.04Å; S446-Q450 WeakPolarHBondContact O-CG 3.11Å; S446-Q450 PolarHBondContact O-N 3.25Å; V447-Q450 PolarHBondContact O-N 2.91Å; Q450-K453 PolarHBondContact O-N 2.97Å; Q450-A454 WeakPolarHBondContact O-CB 3.45Å; Q450-A454 PolarHBondContact O-N 3.43Å; Q450-Y465 WeakPolarHBondContact CG-OH 3.37Å
451V91.8Very high89.8Confident1 Ų140 Ų401%0.00621%0.207CC..Hα-helixtrans-65.3-46.4175.8171.50000111.3L411 V424 L427 K428 V447 L448 A449 K453 A454 E455L411-V451 HydrophobicContact CD2-CG2 4.01Å; V424-V451 HydrophobicContact CB-CG1 4.37Å; V424-V451 HydrophobicContact CG1-CG1 3.71Å; V424-V451 HydrophobicContact CG2-CG1 4.26Å; L427-V451 HydrophobicContact CB-CG2 3.74Å; L427-V451 HydrophobicContact CD1-CG2 3.85Å; L427-V451 HydrophobicContact CG-CG2 4.46Å; K428-V451 HydrophobicContact CD-CG1 4.24Å; K428-V451 VanDerWaalsContact CE-CG1 3.42Å; K428-V451 HydrophobicContact CG-CG1 4.03Å; V447-V451 VanDerWaalsContact O-CG2 3.29Å; V447-V451 WeakPolarHBondContact O-CG2 3.31Å; V447-V451 PolarHBondContact O-N 3.45Å; L448-V451 PolarHBondContact O-N 3.47Å; A449-V451 VanDerWaalsContact C-N 3.32Å; A449-V451 PolarHBondContact O-N 3.08Å; V451-K453 VanDerWaalsContact C-N 3.29Å; V451-K453 PolarHBondContact O-N 3.01Å; V451-A454 PolarHBondContact O-N 3.04Å; V451-A454 VanDerWaalsContact O-N 3.16Å; V451-E455 WeakPolarHBondContact O-CG 3.47Å; V451-E455 PolarHBondContact O-N 2.66Å
452A90.4Very high89.9Confident5 Ų539.6 Ų39.64%0.04121%0.207CC..Hα-helixtrans-61.4-39176.700000111.7L448 A449 E455 G456 D457 K460 A461 F464L448-A452 WeakPolarHBondContact O-CB 3.42Å; L448-A452 PolarHBondContact O-N 3.27Å; A449-A452 PolarHBondContact O-N 2.65Å; A452-E455 PolarHBondContact O-N 3.33Å; A452-G456 PolarHBondContact O-N 3.27Å; A452-G456 VanDerWaalsContact O-N 3.15Å; A452-D457 PolarHBondContact O-N 3.21Å; A452-K460 HydrophobicContact CB-CB 4.18Å; A452-A461 HydrophobicContact CB-CB 3.87Å; A452-F464 HydrophobicContact CB-CD2 4.29Å
453K88.9Confident90Very high68 Ų6842.2 Ų42.230%0.29622%0.216SC..Hα-helixtrans-59.9-45.5173.3-176179.8-179-1740111.2A449 Q450 V451 E455 G456 A461 E484 L485A449-K453 WeakPolarHBondContact O-CB 3.49Å; A449-K453 PolarHBondContact O-N 3.35Å; Q450-K453 PolarHBondContact O-N 2.97Å; V451-K453 VanDerWaalsContact C-N 3.29Å; V451-K453 PolarHBondContact O-N 3.01Å; K453-E455 VanDerWaalsContact C-N 3.32Å; K453-E455 PolarHBondContact O-N 2.94Å; K453-G456 PolarHBondContact O-N 2.94Å; K453-G456 VanDerWaalsContact O-N 3.1Å; K453-A461 HydrophobicContact CB-CB 4.07Å; K453-E484 IonicContact NZ-OE1 3.86Å; K453-E484 PolarHBondContact NZ-OE1 3.45Å; K453-E484 IonicContact NZ-OE2 3.81Å; K453-E484 PolarHBondContact NZ-OE2 3.2Å; K453-L485 HydrophobicContact CD-CD2 4.38Å; K453-L485 HydrophobicContact CG-CD2 4.21Å
454A86Confident90.2Very high30 Ų3042 Ų4225%0.24821%0.213CC..Hα-helixtrans-67.6-30.4178.600000113.3L411 P415 Q450 V451 G456L411-A454 HydrophobicContact CD1-CB 3.76Å; L411-A454 HydrophobicContact CD2-CB 3.73Å; L411-A454 HydrophobicContact CG-CB 3.68Å; P415-A454 HydrophobicContact CB-CB 4.24Å; P415-A454 HydrophobicContact CG-CB 4.33Å; Q450-A454 WeakPolarHBondContact O-CB 3.45Å; Q450-A454 PolarHBondContact O-N 3.43Å; V451-A454 PolarHBondContact O-N 3.04Å; V451-A454 VanDerWaalsContact O-N 3.16Å; A454-G456 PolarHBondContact O-N 3.07Å
455E88Confident90.3Very high106 Ų10642.5 Ų42.550%0.49522%0.215SC..THydrogen-bonded Turntrans-76.9-8172.7-69.6-179.6150.300113V424 K428 V451 A452 K453V424-E455 WeakPolarHBondContact CG1-OE1 3.25Å; K428-E455 IonicContact NZ-OE1 3.49Å; K428-E455 PolarHBondContact NZ-OE1 3.3Å; K428-E455 IonicContact NZ-OE2 3.76Å; K428-E455 PolarHBondContact NZ-OE2 3.08Å; V451-E455 WeakPolarHBondContact O-CG 3.47Å; V451-E455 PolarHBondContact O-N 2.66Å; A452-E455 PolarHBondContact O-N 3.33Å; K453-E455 VanDerWaalsContact C-N 3.32Å; K453-E455 PolarHBondContact O-N 2.94Å
456G86.6Confident90.2Very high54 Ų5444 Ų4456%0.55722%0.223SC*.THydrogen-bonded Turntrans85.53.2-179.500000114.7A452 K453 A454 K458A452-G456 PolarHBondContact O-N 3.27Å; A452-G456 VanDerWaalsContact O-N 3.15Å; K453-G456 PolarHBondContact O-N 2.94Å; K453-G456 VanDerWaalsContact O-N 3.1Å; A454-G456 PolarHBondContact O-N 3.07Å; G456-K458 PolarHBondContact O-N 3.08Å; G456-K458 VanDerWaalsContact O-N 3.09Å
457D90.1Very high90.2Very high52 Ų5248.3 Ų48.328%0.27824%0.242SC..  trans-86.376.5177.4-165.1-24000110.4A452 K459 K460 A461A452-D457 PolarHBondContact O-N 3.21Å; D457-K459 PolarHBondContact O-N 3.48Å; D457-K460 HydrophobicContact CB-CB 4.31Å; D457-K460 PolarHBondContact O-N 2.92Å; D457-K460 WeakPolarHBondContact OD1-CG 3.1Å; D457-K460 PolarHBondContact OD1-N 3.13Å; D457-K460 VanDerWaalsContact OD1-N 3.09Å; D457-K460 WeakPolarHBondContact OD2-CD 3.39Å; D457-K460 VanDerWaalsContact OD2-CE 3.29Å; D457-K460 WeakPolarHBondContact OD2-CE 3.42Å; D457-K460 VanDerWaalsContact OD2-CG 3.3Å; D457-K460 WeakPolarHBondContact OD2-CG 3.44Å; D457-K460 IonicContact OD2-NZ 2.76Å; D457-K460 PolarHBondContact OD2-NZ 3.13Å; D457-A461 WeakPolarHBondContact O-CB 3.38Å; D457-A461 PolarHBondContact O-N 3.32Å
458K89.3Confident90.2Very high69 Ų6948.2 Ų48.230%0.324%0.241SC..Hα-helixtrans-59.9-33.2-176.6-60.7-171.9-170.2-169.50113.1G456 A461 A462 L485 Q488 L489G456-K458 PolarHBondContact O-N 3.08Å; G456-K458 VanDerWaalsContact O-N 3.09Å; K458-A461 PolarHBondContact O-N 3.21Å; K458-A462 PolarHBondContact O-N 3.33Å; K458-L485 HydrophobicContact CB-CD2 4.08Å; K458-L485 HydrophobicContact CG-CD2 4.15Å; K458-Q488 HydrophobicContact CD-CB 4.42Å; K458-L489 HydrophobicContact CB-CD2 4.11Å; K458-L489 HydrophobicContact CB-CG 4.48Å; K458-L489 HydrophobicContact CD-CD2 4.26Å
459K88.8Confident90Very high144 Ų14448.5 Ų48.563%0.62624%0.243SC*.Hα-helixtrans-68.2-51.1-179.7-173.6-178.4175.7-176.20110.4D457 A461 A462 E463D457-K459 PolarHBondContact O-N 3.48Å; K459-A461 VanDerWaalsContact C-N 3.26Å; K459-A461 PolarHBondContact O-N 2.96Å; K459-A462 PolarHBondContact O-N 3.45Å; K459-E463 WeakPolarHBondContact CE-OE1 3.48Å; K459-E463 WeakPolarHBondContact O-CG 3.31Å; K459-E463 PolarHBondContact O-N 3.06Å
460K91.4Very high90Very high107 Ų10754.5 Ų54.547%0.46528%0.275SS..Hα-helixtrans-62.3-36.2175-72.4-167.1-168.2117.30112.3A452 D457 A462 E463 F464A452-K460 HydrophobicContact CB-CB 4.18Å; D457-K460 HydrophobicContact CB-CB 4.31Å; D457-K460 PolarHBondContact O-N 2.92Å; D457-K460 WeakPolarHBondContact OD1-CG 3.1Å; D457-K460 PolarHBondContact OD1-N 3.13Å; D457-K460 VanDerWaalsContact OD1-N 3.09Å; D457-K460 WeakPolarHBondContact OD2-CD 3.39Å; D457-K460 VanDerWaalsContact OD2-CE 3.29Å; D457-K460 WeakPolarHBondContact OD2-CE 3.42Å; D457-K460 VanDerWaalsContact OD2-CG 3.3Å; D457-K460 WeakPolarHBondContact OD2-CG 3.44Å; D457-K460 IonicContact OD2-NZ 2.76Å; D457-K460 PolarHBondContact OD2-NZ 3.13Å; K460-A462 VanDerWaalsContact C-N 3.33Å; K460-A462 PolarHBondContact O-N 2.96Å; K460-E463 PolarHBondContact O-N 3.43Å; K460-F464 HydrophobicContact CB-CE2 4.35Å; K460-F464 WeakPolarHBondContact O-CD2 3.4Å; K460-F464 WeakPolarHBondContact O-CG 3.44Å; K460-F464 PolarHBondContact O-N 3.4Å
461A91.1Very high89.8Confident0 Ų054.9 Ų54.90%028%0.281CS..Hα-helixtrans-60.5-43.1175.400000111.9A449 A452 K453 D457 K458 K459 F464 Y465 L485A449-A461 WeakPolarHBondContact CB-O 3.42Å; A449-A461 WeakPolarHBondContact O-CB 3.35Å; A452-A461 HydrophobicContact CB-CB 3.87Å; K453-A461 HydrophobicContact CB-CB 4.07Å; D457-A461 WeakPolarHBondContact O-CB 3.38Å; D457-A461 PolarHBondContact O-N 3.32Å; K458-A461 PolarHBondContact O-N 3.21Å; K459-A461 VanDerWaalsContact C-N 3.26Å; K459-A461 PolarHBondContact O-N 2.96Å; A461-F464 PolarHBondContact O-N 3.2Å; A461-Y465 VanDerWaalsContact O-CD2 3.23Å; A461-Y465 WeakPolarHBondContact O-CD2 3.35Å; A461-Y465 PolarHBondContact O-N 3.01Å; A461-L485 HydrophobicContact CB-CD1 3.61Å; A461-L485 HydrophobicContact CB-CD2 4.34Å
462A90.4Very high89.6Confident11 Ų1157.7 Ų57.79%0.09130%0.296CS..Hα-helixtrans-64.4-45.517600000111.9K458 K459 K460 F464 Y465 E466 L482 L485K458-A462 PolarHBondContact O-N 3.33Å; K459-A462 PolarHBondContact O-N 3.45Å; K460-A462 VanDerWaalsContact C-N 3.33Å; K460-A462 PolarHBondContact O-N 2.96Å; A462-F464 VanDerWaalsContact C-N 3.27Å; A462-F464 PolarHBondContact O-N 2.96Å; A462-Y465 PolarHBondContact O-N 3.47Å; A462-Y465 VanDerWaalsContact O-N 3.14Å; A462-E466 WeakPolarHBondContact O-CG 3.46Å; A462-E466 PolarHBondContact O-N 3.31Å; A462-L482 HydrophobicContact CB-CD1 3.81Å; A462-L485 HydrophobicContact CB-CD1 4.34Å
463E91.9Very high89.1Confident80 Ų8064.5 Ų64.537%0.37433%0.327SS..Hα-helixtrans-57.8-38.9176.6-69.8170.6-169.600112.2K459 K460 K467K459-E463 WeakPolarHBondContact CE-OE1 3.48Å; K459-E463 WeakPolarHBondContact O-CG 3.31Å; K459-E463 PolarHBondContact O-N 3.06Å; K460-E463 PolarHBondContact O-N 3.43Å; E463-K467 WeakPolarHBondContact O-CG 3.38Å; E463-K467 PolarHBondContact O-N 3.33Å; E463-K467 VanDerWaalsContact O-N 3.15Å
464F92.3Very high88.7Confident48 Ų4868.1 Ų68.121%0.21135%0.35CS..Hα-helixtrans-73-35.8176.6-72.9-51.9000113.1Y445 L448 A449 A452 K460 A461 A462 K467 A468Y445-F464 HydrophobicContact CD1-CD1 4.1Å; L448-F464 HydrophobicContact CB-CD1 4.1Å; L448-F464 HydrophobicContact CB-CD2 3.9Å; L448-F464 HydrophobicContact CB-CE1 4.24Å; L448-F464 HydrophobicContact CB-CE2 4.05Å; L448-F464 HydrophobicContact CB-CG 3.94Å; L448-F464 HydrophobicContact CB-CZ 4.22Å; L448-F464 HydrophobicContact CD1-CD1 4.33Å; L448-F464 HydrophobicContact CD1-CE1 3.95Å; L448-F464 HydrophobicContact CD1-CZ 4.25Å; A449-F464 HydrophobicContact CB-CB 3.6Å; A452-F464 HydrophobicContact CB-CD2 4.29Å; K460-F464 HydrophobicContact CB-CE2 4.35Å; K460-F464 WeakPolarHBondContact O-CD2 3.4Å; K460-F464 WeakPolarHBondContact O-CG 3.44Å; K460-F464 PolarHBondContact O-N 3.4Å; A461-F464 PolarHBondContact O-N 3.2Å; A462-F464 VanDerWaalsContact C-N 3.27Å; A462-F464 PolarHBondContact O-N 2.96Å; F464-K467 PolarHBondContact O-N 3.43Å; F464-A468 WeakPolarHBondContact O-CB 3.46Å; F464-A468 PolarHBondContact O-N 3.48Å
465Y91.1Very high88.7Confident13 Ų1368.2 Ų68.25%0.05135%0.346CS..Hα-helixtrans-67.8-36173.3-79.2-56.1000112.4A449 Q450 A461 A462 A468 L469 Y478 L485A449-Y465 HydrophobicContact CB-CD1 3.69Å; A449-Y465 HydrophobicContact CB-CD2 3.62Å; A449-Y465 HydrophobicContact CB-CE1 3.65Å; A449-Y465 HydrophobicContact CB-CE2 3.59Å; A449-Y465 HydrophobicContact CB-CG 3.66Å; Q450-Y465 WeakPolarHBondContact CG-OH 3.37Å; A461-Y465 VanDerWaalsContact O-CD2 3.23Å; A461-Y465 WeakPolarHBondContact O-CD2 3.35Å; A461-Y465 PolarHBondContact O-N 3.01Å; A462-Y465 PolarHBondContact O-N 3.47Å; A462-Y465 VanDerWaalsContact O-N 3.14Å; Y465-A468 PolarHBondContact O-N 3.01Å; Y465-L469 WeakPolarHBondContact O-CG 3.4Å; Y465-L469 PolarHBondContact O-N 3.18Å; Y465-Y478 HydrophobicContact CD1-CD1 4.5Å; Y465-L485 HydrophobicContact CD2-CD1 3.65Å; Y465-L485 HydrophobicContact CE2-CD1 3.79Å
466E90.8Very high88.5Confident73 Ų7367.4 Ų67.434%0.34135%0.353SS..Hα-helixtrans-61.4-47.2173.4-73171.1176.500110.6A462 A468 L469 D470 L482 R486A462-E466 WeakPolarHBondContact O-CG 3.46Å; A462-E466 PolarHBondContact O-N 3.31Å; E466-A468 VanDerWaalsContact C-N 3.31Å; E466-A468 PolarHBondContact O-N 3.32Å; E466-L469 WeakPolarHBondContact O-CB 3.5Å; E466-L469 PolarHBondContact O-N 3.5Å; E466-L469 VanDerWaalsContact O-N 3.08Å; E466-D470 PolarHBondContact O-N 3.13Å; E466-L482 HydrophobicContact CG-CD1 4Å; E466-L482 HydrophobicContact CG-CD2 3.84Å; E466-R486 IonicContact OE1-CZ 2.89Å; E466-R486 IonicContact OE1-NH2 3.25Å; E466-R486 PolarHBondContact OE1-NH2 3.17Å
467K90.8Very high88.3Confident97 Ų9771.2 Ų71.242%0.42236%0.356SS..Hα-helixtrans-61.3-36.6173.6-71.2176.8-179.7179.70113.7Y445 E463 F464 L469 D470 C471Y445-K467 HydrophobicContact CD1-CB 3.94Å; Y445-K467 HydrophobicContact CD1-CD 4.19Å; Y445-K467 HydrophobicContact CD2-CB 4.27Å; Y445-K467 HydrophobicContact CE1-CB 4.18Å; Y445-K467 HydrophobicContact CE1-CD 3.9Å; Y445-K467 HydrophobicContact CE2-CB 4.49Å; Y445-K467 HydrophobicContact CG-CB 4Å; E463-K467 WeakPolarHBondContact O-CG 3.38Å; E463-K467 PolarHBondContact O-N 3.33Å; E463-K467 VanDerWaalsContact O-N 3.15Å; F464-K467 PolarHBondContact O-N 3.43Å; K467-L469 VanDerWaalsContact C-N 3.31Å; K467-D470 PolarHBondContact O-N 3.43Å; K467-C471 PolarHBondContact O-N 3.18Å; K467-C471 PolarHBondContact O-SG 3.36Å
468A89.9Confident88.2Confident0 Ų069.3 Ų69.30%035%0.345CS..Hα-helixtrans-65.5-37.1175.200000111.6F464 Y465 E466 C471 D472 Y478F464-A468 WeakPolarHBondContact O-CB 3.46Å; F464-A468 PolarHBondContact O-N 3.48Å; Y465-A468 PolarHBondContact O-N 3.01Å; E466-A468 VanDerWaalsContact C-N 3.31Å; E466-A468 PolarHBondContact O-N 3.32Å; A468-C471 PolarHBondContact O-N 2.97Å; A468-D472 PolarHBondContact O-N 3.42Å; A468-Y478 HydrophobicContact CB-CD2 3.69Å; A468-Y478 HydrophobicContact CB-CE2 3.91Å; A468-Y478 HydrophobicContact CB-CG 4.16Å
469L89.9Confident88Confident19 Ų1970.2 Ų70.210%0.09935%0.353CS..Hα-helixtrans-71.9-34.5175.3-73.2166.6000112.6Y465 E466 K467 C471 D472 E473 Y478 L479 L482Y465-L469 WeakPolarHBondContact O-CG 3.4Å; Y465-L469 PolarHBondContact O-N 3.18Å; E466-L469 WeakPolarHBondContact O-CB 3.5Å; E466-L469 PolarHBondContact O-N 3.5Å; E466-L469 VanDerWaalsContact O-N 3.08Å; K467-L469 VanDerWaalsContact C-N 3.31Å; L469-C471 PolarHBondContact O-N 3.29Å; L469-D472 CarbonylContact O-C 3.48Å; L469-D472 PolarHBondContact O-N 2.78Å; L469-E473 WeakPolarHBondContact O-CA 3.25Å; L469-E473 PolarHBondContact O-N 3.06Å; L469-Y478 HydrophobicContact CD2-CD2 4.46Å; L469-L479 HydrophobicContact CD1-CD2 3.85Å; L469-L479 HydrophobicContact CD2-CD2 3.79Å; L469-L479 HydrophobicContact CD2-CG 3.78Å; L469-L482 HydrophobicContact CD1-CD2 3.84Å
470D89.6Confident87.9Confident127 Ų12770.2 Ų70.268%0.67935%0.349SS*.Hα-helixtrans-60.1-27.8172.6-65.5-23.2000111.5E466 K467E466-D470 PolarHBondContact O-N 3.13Å; K467-D470 PolarHBondContact O-N 3.43Å
471C86.6Confident87.4Confident49 Ų4965.3 Ų65.333%0.33133%0.329SS..Hα-helixtrans-89.8-29.2176.6-560000113.1D440 K467 A468 L469D440-C471 WeakPolarHBondContact O-CB 3.4Å; K467-C471 PolarHBondContact O-N 3.18Å; K467-C471 PolarHBondContact O-SG 3.36Å; A468-C471 PolarHBondContact O-N 2.97Å; L469-C471 PolarHBondContact O-N 3.29Å
472D86.8Confident87.2Confident60 Ų6065.9 Ų65.932%0.32133%0.332SS..  trans-144.782.9-179-176.97000110.8A468 L469 N474 N475 Y478A468-D472 PolarHBondContact O-N 3.42Å; L469-D472 CarbonylContact O-C 3.48Å; L469-D472 PolarHBondContact O-N 2.78Å; D472-N474 PolarHBondContact O-N 3.21Å; D472-N474 VanDerWaalsContact O-N 3.13Å; D472-N475 HydrophobicContact CB-CB 4.37Å; D472-N475 PolarHBondContact O-N 3.32Å; D472-N475 WeakPolarHBondContact OD2-CB 3.35Å; D472-N475 PolarHBondContact OD2-ND2 3.42Å; D472-Y478 HydrophobicContact CB-CE2 4.3Å
473E80.3Confident87Confident148 Ų14872.2 Ų72.269%0.69235%0.354SS*.THydrogen-bonded Turntrans-61.3-25.9-167.2-65.4-178168.200114.3L469L469-E473 WeakPolarHBondContact O-CA 3.25Å; L469-E473 PolarHBondContact O-N 3.06Å
474N80.4Confident86.8Confident143 Ų14370.8 Ų70.877%0.76535%0.347SS*.THydrogen-bonded Turntrans-10613.5-173.4-69.4-47.9000113.5D472 S476D472-N474 PolarHBondContact O-N 3.21Å; D472-N474 VanDerWaalsContact O-N 3.13Å; N474-S476 PolarHBondContact O-N 2.94Å; N474-S476 VanDerWaalsContact O-N 3.11Å
475N86.7Confident86.4Confident32 Ų3268.5 Ų68.517%0.17134%0.337CS..  trans-73.7106.8-179.3-158.4-58.5000112.1D472 Q477 Y478 L479D472-N475 HydrophobicContact CB-CB 4.37Å; D472-N475 PolarHBondContact O-N 3.32Å; D472-N475 WeakPolarHBondContact OD2-CB 3.35Å; D472-N475 PolarHBondContact OD2-ND2 3.42Å; N475-Q477 PolarHBondContact O-N 2.88Å; N475-Q477 WeakPolarHBondContact OD1-CB 3.37Å; N475-Q477 PolarHBondContact OD1-N 3.4Å; N475-Q477 VanDerWaalsContact OD1-N 3.13Å; N475-Y478 HydrophobicContact CB-CD1 4.49Å; N475-Y478 HydrophobicContact CB-CD2 3.38Å; N475-Y478 HydrophobicContact CB-CE2 3.71Å; N475-Y478 HydrophobicContact CB-CG 3.82Å; N475-Y478 PolarHBondContact O-N 3.46Å; N475-L479 PolarHBondContact O-N 3.27Å; N475-L479 VanDerWaalsContact O-N 3.14Å
476S82.9Confident86.1Confident90 Ų9073.9 Ų73.963%0.62936%0.357SS*.Hα-helixtrans-60.6-29-177.9600000113.7N474 Y480N474-S476 PolarHBondContact O-N 2.94Å; N474-S476 VanDerWaalsContact O-N 3.11Å; S476-Y480 WeakPolarHBondContact O-CB 3.4Å; S476-Y480 PolarHBondContact O-N 3.05Å; S476-Y480 VanDerWaalsContact O-N 3.08Å
477Q83.4Confident85.6Confident134 Ų13475.8 Ų75.863%0.62637%0.368SS*.Hα-helixtrans-72.4-39.3178.6-62.4-172-7.500111.8N475 Y480 G481N475-Q477 PolarHBondContact O-N 2.88Å; N475-Q477 WeakPolarHBondContact OD1-CB 3.37Å; N475-Q477 PolarHBondContact OD1-N 3.4Å; N475-Q477 VanDerWaalsContact OD1-N 3.13Å; Q477-Y480 PolarHBondContact O-N 2.97Å; Q477-G481 PolarHBondContact O-N 2.96Å
478Y87.3Confident84.8Confident11 Ų1175.2 Ų75.24%0.04337%0.367CS..Hα-helixtrans-72.5-40.7-179.3-53.5-15.2000110.6S446 Y465 A468 L469 D472 N475 Y480 G481 L482S446-Y478 WeakPolarHBondContact OG-CE1 3.48Å; Y465-Y478 HydrophobicContact CD1-CD1 4.5Å; A468-Y478 HydrophobicContact CB-CD2 3.69Å; A468-Y478 HydrophobicContact CB-CE2 3.91Å; A468-Y478 HydrophobicContact CB-CG 4.16Å; L469-Y478 HydrophobicContact CD2-CD2 4.46Å; D472-Y478 HydrophobicContact CB-CE2 4.3Å; N475-Y478 HydrophobicContact CB-CD1 4.49Å; N475-Y478 HydrophobicContact CB-CD2 3.38Å; N475-Y478 HydrophobicContact CB-CE2 3.71Å; N475-Y478 HydrophobicContact CB-CG 3.82Å; N475-Y478 PolarHBondContact O-N 3.46Å; Y478-Y480 VanDerWaalsContact C-N 3.34Å; Y478-Y480 PolarHBondContact O-N 3.08Å; Y478-G481 PolarHBondContact O-N 3Å; Y478-L482 WeakPolarHBondContact O-CB 3.45Å; Y478-L482 PolarHBondContact O-N 3.37Å
479L85.6Confident83.8Confident89 Ų8980 Ų8047%0.46639%0.391SS..Hα-helixtrans-57.8-46171.9-70.8173.4000111.7L469 N475 L482 W483L469-L479 HydrophobicContact CD1-CD2 3.85Å; L469-L479 HydrophobicContact CD2-CD2 3.79Å; L469-L479 HydrophobicContact CD2-CG 3.78Å; N475-L479 PolarHBondContact O-N 3.27Å; N475-L479 VanDerWaalsContact O-N 3.14Å; L479-L482 PolarHBondContact O-N 3.36Å; L479-W483 WeakPolarHBondContact O-CB 3.29Å; L479-W483 PolarHBondContact O-N 3.06Å
480Y85.8Confident82.1Confident143 Ų14389.5 Ų89.556%0.56144%0.435SS*.Hα-helixtrans-63.4-45.4177.2-179.1-97.9000112.1S476 Q477 Y478 L482 W483 E484S476-Y480 WeakPolarHBondContact O-CB 3.4Å; S476-Y480 PolarHBondContact O-N 3.05Å; S476-Y480 VanDerWaalsContact O-N 3.08Å; Q477-Y480 PolarHBondContact O-N 2.97Å; Y478-Y480 VanDerWaalsContact C-N 3.34Å; Y478-Y480 PolarHBondContact O-N 3.08Å; Y480-L482 VanDerWaalsContact C-N 3.34Å; Y480-L482 PolarHBondContact O-N 3.02Å; Y480-W483 HydrophobicContact CD2-CE3 4.3Å; Y480-W483 HydrophobicContact CE2-CE3 4.16Å; Y480-W483 HydrophobicContact CE2-CZ3 4.1Å; Y480-W483 PolarHBondContact O-N 3.29Å; Y480-E484 WeakPolarHBondContact O-CB 3.39Å; Y480-E484 PolarHBondContact O-N 3.08Å
481G81.6Confident81.7Confident4 Ų487.7 Ų87.74%0.04142%0.423CS..Hα-helixtrans-60.8-40.7177.900000113.1Q477 Y478 L485Q477-G481 PolarHBondContact O-N 2.96Å; Y478-G481 PolarHBondContact O-N 3Å; G481-L485 WeakPolarHBondContact O-CG 3.48Å; G481-L485 PolarHBondContact O-N 3.07Å
482L86.8Confident81.5Confident13 Ų1389.7 Ų89.77%0.06843%0.428CS..Hα-helixtrans-68.9-42.5176.5-174.562.5000112.1A462 E466 L469 Y478 L479 Y480 L485 R486A462-L482 HydrophobicContact CB-CD1 3.81Å; E466-L482 HydrophobicContact CG-CD1 4Å; E466-L482 HydrophobicContact CG-CD2 3.84Å; L469-L482 HydrophobicContact CD1-CD2 3.84Å; Y478-L482 WeakPolarHBondContact O-CB 3.45Å; Y478-L482 PolarHBondContact O-N 3.37Å; L479-L482 PolarHBondContact O-N 3.36Å; Y480-L482 VanDerWaalsContact C-N 3.34Å; Y480-L482 PolarHBondContact O-N 3.02Å; L482-L485 PolarHBondContact O-N 3.46Å; L482-R486 WeakPolarHBondContact O-CG 3.33Å; L482-R486 PolarHBondContact O-N 3.27Å
483W86.4Confident81.2Confident144 Ų14491.3 Ų91.355%0.54543%0.434SS..Hα-helixtrans-59.5-47175.6174.479.9000111.7L479 Y480 L485 R486 M487L479-W483 WeakPolarHBondContact O-CB 3.29Å; L479-W483 PolarHBondContact O-N 3.06Å; Y480-W483 HydrophobicContact CD2-CE3 4.3Å; Y480-W483 HydrophobicContact CE2-CE3 4.16Å; Y480-W483 HydrophobicContact CE2-CZ3 4.1Å; Y480-W483 PolarHBondContact O-N 3.29Å; W483-L485 VanDerWaalsContact C-N 3.31Å; W483-L485 PolarHBondContact O-N 2.88Å; W483-R486 PolarHBondContact O-N 3Å; W483-M487 HydrophobicContact CD2-CG 4.24Å; W483-M487 HydrophobicContact CZ2-CG 3.95Å; W483-M487 HydrophobicContact CZ2-SD 4.49Å; W483-M487 WeakPolarHBondContact O-CG 3.45Å; W483-M487 PolarHBondContact O-N 3.36Å
484E87.3Confident81.3Confident49 Ų4988 Ų8823%0.22942%0.419CS..Hα-helixtrans-60-40.7178.8-166.4-162.1156.500111.8K453 Y480 Q488K453-E484 IonicContact NZ-OE1 3.86Å; K453-E484 PolarHBondContact NZ-OE1 3.45Å; K453-E484 IonicContact NZ-OE2 3.81Å; K453-E484 PolarHBondContact NZ-OE2 3.2Å; Y480-E484 WeakPolarHBondContact O-CB 3.39Å; Y480-E484 PolarHBondContact O-N 3.08Å; E484-Q488 WeakPolarHBondContact O-CG 3.49Å; E484-Q488 PolarHBondContact O-N 3.13Å
485L85.4Confident81.3Confident0 Ų084.6 Ų84.60%040%0.397CS..Hα-helixtrans-67.9-41.6178.1-73.5170000112.4K453 K458 A461 A462 Y465 G481 L482 W483 M487 Q488 L489K453-L485 HydrophobicContact CD-CD2 4.38Å; K453-L485 HydrophobicContact CG-CD2 4.21Å; K458-L485 HydrophobicContact CB-CD2 4.08Å; K458-L485 HydrophobicContact CG-CD2 4.15Å; A461-L485 HydrophobicContact CB-CD1 3.61Å; A461-L485 HydrophobicContact CB-CD2 4.34Å; A462-L485 HydrophobicContact CB-CD1 4.34Å; Y465-L485 HydrophobicContact CD2-CD1 3.65Å; Y465-L485 HydrophobicContact CE2-CD1 3.79Å; G481-L485 WeakPolarHBondContact O-CG 3.48Å; G481-L485 PolarHBondContact O-N 3.07Å; L482-L485 PolarHBondContact O-N 3.46Å; W483-L485 VanDerWaalsContact C-N 3.31Å; W483-L485 PolarHBondContact O-N 2.88Å; L485-M487 VanDerWaalsContact C-N 3.34Å; L485-M487 PolarHBondContact O-N 3.1Å; L485-Q488 PolarHBondContact O-N 3.06Å; L485-L489 WeakPolarHBondContact O-CG 3.44Å; L485-L489 PolarHBondContact O-N 3.29Å
486R83.8Confident80.9Confident126 Ų12688.1 Ų88.148%0.47541%0.412SS..Hα-helixtrans-64.8-38.1178.3-72.9178.9178.2-177.30.5111.8E466 L482 W483 Q488 L489 H490E466-R486 IonicContact OE1-CZ 2.89Å; E466-R486 IonicContact OE1-NH2 3.25Å; E466-R486 PolarHBondContact OE1-NH2 3.17Å; L482-R486 WeakPolarHBondContact O-CG 3.33Å; L482-R486 PolarHBondContact O-N 3.27Å; W483-R486 PolarHBondContact O-N 3Å; R486-Q488 PolarHBondContact O-N 2.99Å; R486-L489 PolarHBondContact O-N 3.19Å; R486-H490 PolarHBondContact O-CD2 2.77Å; R486-H490 VanDerWaalsContact O-CD2 3.29Å
487M80.3Confident80.8Confident113 Ų11387.9 Ų87.956%0.55740%0.396SS*.Hα-helixtrans-64.2-19.6174.9-73.5-62.9-62.800114.1W483 L485W483-M487 HydrophobicContact CD2-CG 4.24Å; W483-M487 HydrophobicContact CZ2-CG 3.95Å; W483-M487 HydrophobicContact CZ2-SD 4.49Å; W483-M487 WeakPolarHBondContact O-CG 3.45Å; W483-M487 PolarHBondContact O-N 3.36Å; L485-M487 VanDerWaalsContact C-N 3.34Å; L485-M487 PolarHBondContact O-N 3.1Å
488Q74.3Confident80.6Confident86 Ų8684.4 Ų84.440%0.40238%0.379SS..THydrogen-bonded Turntrans-102-0.1-179.8-62.8177.51100114.1K458 E484 L485 R486K458-Q488 HydrophobicContact CD-CB 4.42Å; E484-Q488 WeakPolarHBondContact O-CG 3.49Å; E484-Q488 PolarHBondContact O-N 3.13Å; L485-Q488 PolarHBondContact O-N 3.06Å; R486-Q488 PolarHBondContact O-N 2.99Å
489L68.7Low80Confident99 Ų9990.5 Ų90.552%0.51841%0.407SS..THydrogen-bonded Turntrans-103.6-12178.1-73.4168.3000112.4K458 L485 R486K458-L489 HydrophobicContact CB-CD2 4.11Å; K458-L489 HydrophobicContact CB-CG 4.48Å; K458-L489 HydrophobicContact CD-CD2 4.26Å; L485-L489 WeakPolarHBondContact O-CG 3.44Å; L485-L489 PolarHBondContact O-N 3.29Å; R486-L489 PolarHBondContact O-N 3.19Å
490H54.8Low79.5Confident220 Ų22090.6 Ų90.6100%1.01940%0.401SS*.  trans-96.80166.1-65.2-60000109.6R486R486-H490 PolarHBondContact O-CD2 2.77Å; R486-H490 VanDerWaalsContact O-CD2 3.29Å

Retrieved 490 of 490 residues in 348.6 ms (Link to these results)

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