A0A077ZFR4_TRITR Loading...

EB1 and CH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFR4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 230 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
1M83.3Confident72.8Confident184 Ų18489.4 Ų89.491%0.90654%0.54SS*.  0148.60-67.4-176.2-172.100107.3
2A89.1Confident71.5Confident12 Ų1288.1 Ų88.110%0.09953%0.533CS..PPolyproline II helixtrans-77.3147.7177.300000111.3F52 M85 V87 F116 N120A2-F52 HydrophobicContact CB-CE2 3.97Å; A2-F52 HydrophobicContact CB-CZ 3.65Å; A2-M85 HydrophobicContact CB-CB 4.12Å; A2-M85 PolarHBondContact N-O 3.24Å; A2-V87 HydrophobicContact CB-CG2 3.85Å; A2-F116 HydrophobicContact CB-CE2 3.9Å; A2-F116 HydrophobicContact CB-CZ 3.98Å; A2-N120 WeakPolarHBondContact CA-OD1 3.45Å
3V89.5Confident71.2Confident83 Ų8396 Ų9650%0.50356%0.561SS.*PPolyproline II helixtrans-78.6117.5165.3-178.70000107.7A119 N120V3-A119 HydrophobicContact CB-CB 4.3Å; V3-A119 HydrophobicContact CG1-CB 4.13Å; V3-N120 PolarHBondContact N-OD1 2.82Å; V3-N120 PolarHBondContact O-ND2 3.12Å
4N87.2Confident71.4Confident41 Ų4196.3 Ų96.322%0.21956%0.559CS.*PPolyproline II helixtrans-78.7142.9179.3-73-53.8000111.6N86 V87 D88N4-N86 PolarHBondContact ND2-O 2.85Å; N4-V87 WeakPolarHBondContact OD1-CA 3.47Å; N4-D88 HydrophobicContact CB-CB 4.41Å; N4-D88 PolarHBondContact ND2-N 3.49Å; N4-D88 PolarHBondContact ND2-OD2 3.2Å; N4-D88 PolarHBondContact OD1-N 2.8Å
5V85.5Confident72.4Confident28 Ų2893.8 Ų93.817%0.1754%0.542CS..  trans-123.1143.6177.5-640000110.6W112 K115 F116 A119V5-W112 HydrophobicContact CG2-CZ2 4.3Å; V5-W112 PolarHBondContact O-NE1 2.87Å; V5-W112 VanDerWaalsContact O-NE1 3.11Å; V5-K115 HydrophobicContact CB-CB 4.49Å; V5-K115 HydrophobicContact CG2-CB 4.28Å; V5-F116 HydrophobicContact CG2-CB 3.63Å; V5-F116 HydrophobicContact CG2-CD2 4.28Å; V5-F116 HydrophobicContact CG2-CG 4.49Å; V5-A119 HydrophobicContact CG1-CB 3.61Å
6Y77.8Confident73.6Confident146 Ų14691.1 Ų91.157%0.57353%0.53SS*.  trans-118.6143.9-179.7-59.2-83000109.5T8 D88Y6-T8 VanDerWaalsContact C-N 3.3Å; Y6-T8 PolarHBondContact O-N 3.29Å; Y6-D88 PolarHBondContact OH-OD2 3.45Å
7S66.9Low74.7Confident89 Ų8993.9 Ų93.962%0.62253%0.53SS*.  trans-7087.2172.2-60.90000109.7
8T59.7Low75.7Confident79 Ų7993.6 Ų93.649%0.48552%0.523SS..  trans-91.1134.5165.854.90000108.4Y6 G10 T11Y6-T8 VanDerWaalsContact C-N 3.3Å; Y6-T8 PolarHBondContact O-N 3.29Å; T8-G10 PolarHBondContact O-N 3.49Å; T8-T11 PolarHBondContact OG1-OG1 3.39Å
9S57.6Low76.7Confident142 Ų14293.2 Ų93.299%0.99352%0.52SS*.THydrogen-bonded Turntrans-67.13.9-177.1-50.90000114.5
10G53.7Low77.6Confident66 Ų6688.7 Ų88.768%0.6849%0.494SS*.THydrogen-bonded Turntrans-134.62-155.500000119.8T8T8-G10 PolarHBondContact O-N 3.49Å
11T50.5Low78.4Confident113 Ų11385.4 Ų85.469%0.69348%0.476SS*.SBendtrans-141.811.6-165.853.60000118.6T8T8-T11 PolarHBondContact OG1-OG1 3.39Å
12T56.7Low79Confident74 Ų7479.4 Ų79.445%0.45446%0.456SS..SBendtrans-149.4130172.350.20000109.9N14 K115T12-N14 PolarHBondContact O-N 3.25Å; T12-N14 VanDerWaalsContact O-N 3.1Å; T12-K115 WeakPolarHBondContact OG1-CE 3.3Å; T12-K115 PolarHBondContact OG1-NZ 3.32Å
13E68.3Low79.4Confident191 Ų19180.3 Ų80.389%0.89346%0.457SS*.  trans-54.7114.1173.1-65.1-179.817500109.4L15E13-L15 PolarHBondContact O-N 2.78Å
14N74.2Confident79.7Confident100 Ų10076.4 Ų76.454%0.53543%0.433SS..  trans-71.6115.8176.7-70.5-32.8000107.8T12T12-N14 PolarHBondContact O-N 3.25Å; T12-N14 VanDerWaalsContact O-N 3.1Å
15L85.7Confident80.1Confident59 Ų5976.1 Ų76.131%0.30943%0.431SS..  trans-59.7146.3176.3-66.7173.4000111.2E13 D19 M20 K114E13-L15 PolarHBondContact O-N 2.78Å; L15-D19 HydrophobicContact CB-CB 4.16Å; L15-D19 HydrophobicContact CD2-CB 4.15Å; L15-M20 HydrophobicContact CB-CE 3.89Å; L15-M20 HydrophobicContact CD1-CE 4.27Å; L15-M20 HydrophobicContact CD1-SD 4.13Å; L15-K114 HydrophobicContact CD1-CD 4.5Å; L15-K114 HydrophobicContact CD1-CG 4.18Å
16S91.2Very high80.5Confident50 Ų5081.9 Ų81.935%0.3546%0.456SS..  trans-65162.8171.7810000110.5H18 D19 M20S16-H18 PolarHBondContact O-N 3.3Å; S16-H18 PolarHBondContact OG-N 3.09Å; S16-D19 WeakPolarHBondContact CB-OD2 3.22Å; S16-D19 PolarHBondContact N-OD2 3.2Å; S16-D19 PolarHBondContact O-N 2.88Å; S16-D19 PolarHBondContact OG-N 2.94Å; S16-D19 PolarHBondContact OG-OD2 3.48Å; S16-M20 WeakPolarHBondContact O-CB 3.21Å; S16-M20 PolarHBondContact O-N 3.28Å
17R92.2Very high81.2Confident139 Ų13976.3 Ų76.353%0.52544%0.438SS..Hα-helixtrans-56.8-33.817568-178.6-176.3172.6-1.2112.7L21 I35 F103 F107R17-L21 PolarHBondContact O-N 3.48Å; R17-L21 VanDerWaalsContact O-N 3.13Å; R17-I35 HydrophobicContact CB-CD1 3.74Å; R17-F103 HydrophobicContact CB-CE2 4.29Å; R17-F103 HydrophobicContact CB-CZ 4.21Å; R17-F107 HydrophobicContact CB-CE2 4.33Å
18H92.7Very high82.4Confident89 Ų8972.3 Ų72.341%0.41241%0.41SS..Hα-helixtrans-73.9-46-178.2-67-68.7000110.6S16 M20 L21 A22S16-H18 PolarHBondContact O-N 3.3Å; S16-H18 PolarHBondContact OG-N 3.09Å; H18-M20 VanDerWaalsContact C-N 3.25Å; H18-M20 PolarHBondContact O-N 3.41Å; H18-L21 PolarHBondContact O-N 3.22Å; H18-A22 WeakPolarHBondContact O-CB 3.45Å; H18-A22 PolarHBondContact O-N 3.41Å
19D94.7Very high83.9Confident86 Ų8673 Ų7346%0.4641%0.41SS..Hα-helixtrans-64-35.9176.8-56.1-43.2000111.4L15 S16 A22 W23L15-D19 HydrophobicContact CB-CB 4.16Å; L15-D19 HydrophobicContact CD2-CB 4.15Å; S16-D19 WeakPolarHBondContact CB-OD2 3.22Å; S16-D19 PolarHBondContact N-OD2 3.2Å; S16-D19 PolarHBondContact O-N 2.88Å; S16-D19 PolarHBondContact OG-N 2.94Å; S16-D19 PolarHBondContact OG-OD2 3.48Å; D19-A22 PolarHBondContact O-N 2.81Å; D19-W23 WeakPolarHBondContact O-CB 3.24Å; D19-W23 PolarHBondContact O-N 2.97Å
20M94.9Very high85.5Confident2 Ų267.3 Ų67.31%0.0137%0.37CS..Hα-helixtrans-66.8-43.3177.8-161.969.278.900112L15 S16 H18 W23 V24 F107 L110 Q111 K114L15-M20 HydrophobicContact CB-CE 3.89Å; L15-M20 HydrophobicContact CD1-CE 4.27Å; L15-M20 HydrophobicContact CD1-SD 4.13Å; S16-M20 WeakPolarHBondContact O-CB 3.21Å; S16-M20 PolarHBondContact O-N 3.28Å; H18-M20 VanDerWaalsContact C-N 3.25Å; H18-M20 PolarHBondContact O-N 3.41Å; M20-W23 HydrophobicContact CG-CE3 4.37Å; M20-W23 PolarHBondContact O-N 3.19Å; M20-W23 HydrophobicContact SD-CE3 3.62Å; M20-W23 HydrophobicContact SD-CZ3 3.94Å; M20-V24 WeakPolarHBondContact O-CG2 3.41Å; M20-V24 PolarHBondContact O-N 2.95Å; M20-V24 VanDerWaalsContact O-N 3.08Å; M20-F107 HydrophobicContact CB-CE2 4.4Å; M20-L110 HydrophobicContact CB-CD2 4.28Å; M20-L110 HydrophobicContact CG-CD1 4.35Å; M20-L110 HydrophobicContact CG-CD2 3.2Å; M20-L110 HydrophobicContact CG-CG 3.45Å; M20-L110 VanDerWaalsContact CG-CG 3.45Å; M20-L110 HydrophobicContact SD-CD2 4.36Å; M20-L110 HydrophobicContact SD-CG 3.96Å; M20-Q111 HydrophobicContact CE-CB 4.4Å; M20-Q111 HydrophobicContact CE-CG 3.81Å; M20-K114 HydrophobicContact CE-CB 4.16Å; M20-K114 HydrophobicContact CE-CG 4.48Å; M20-K114 HydrophobicContact SD-CB 3.91Å; M20-K114 HydrophobicContact SD-CG 4.15Å
21L95.8Very high87.2Confident20 Ų2069.4 Ų69.411%0.10537%0.366CS..Hα-helixtrans-65.2-43.4174-78.6172000111.7R17 H18 W23 V24 N25 S33 I35R17-L21 PolarHBondContact O-N 3.48Å; R17-L21 VanDerWaalsContact O-N 3.13Å; H18-L21 PolarHBondContact O-N 3.22Å; L21-W23 VanDerWaalsContact C-N 3.29Å; L21-W23 PolarHBondContact O-N 3.12Å; L21-V24 PolarHBondContact O-N 2.92Å; L21-N25 WeakPolarHBondContact O-CB 3.31Å; L21-N25 VanDerWaalsContact O-CG 3.26Å; L21-N25 PolarHBondContact O-N 2.87Å; L21-N25 PolarHBondContact O-ND2 3.46Å; L21-S33 WeakPolarHBondContact CD1-O 3.37Å; L21-I35 HydrophobicContact CD1-CG1 4.03Å; L21-I35 HydrophobicContact CD2-CG1 3.86Å; L21-I35 HydrophobicContact CG-CD1 4.48Å; L21-I35 HydrophobicContact CG-CG1 3.7Å
22A95.4Very high89.2Confident58 Ų5866 Ų6648%0.47934%0.341SS..Hα-helixtrans-58.2-43176.200000111.3H18 D19 N25 H26H18-A22 WeakPolarHBondContact O-CB 3.45Å; H18-A22 PolarHBondContact O-N 3.41Å; D19-A22 PolarHBondContact O-N 2.81Å; A22-N25 PolarHBondContact O-N 2.77Å; A22-H26 VanDerWaalsContact O-CB 3.24Å; A22-H26 WeakPolarHBondContact O-CB 3.33Å; A22-H26 PolarHBondContact O-N 3.21Å
23W96.1Very high91Very high32 Ų3265.6 Ų65.612%0.12134%0.341CS..Hα-helixtrans-60-48.8174.7166.262.4000112.3D19 M20 L21 N25 H26 C27 F47 L110 F113 K114 F117D19-W23 WeakPolarHBondContact O-CB 3.24Å; D19-W23 PolarHBondContact O-N 2.97Å; M20-W23 HydrophobicContact CG-CE3 4.37Å; M20-W23 PolarHBondContact O-N 3.19Å; M20-W23 HydrophobicContact SD-CE3 3.62Å; M20-W23 HydrophobicContact SD-CZ3 3.94Å; L21-W23 VanDerWaalsContact C-N 3.29Å; L21-W23 PolarHBondContact O-N 3.12Å; W23-N25 PolarHBondContact O-N 2.73Å; W23-H26 PolarHBondContact O-N 3.44Å; W23-C27 VanDerWaalsContact CD1-SG 3.56Å; W23-C27 PolarHBondContact NE1-SG 2.92Å; W23-C27 WeakPolarHBondContact O-CB 3.39Å; W23-C27 PolarHBondContact O-N 3.11Å; W23-F47 HydrophobicContact CH2-CE1 4.33Å; W23-F47 HydrophobicContact CH2-CE2 4.4Å; W23-F47 HydrophobicContact CH2-CZ 4.04Å; W23-F47 AromaticContact CZ2-CE1 3.96Å; W23-F47 HydrophobicContact CZ2-CE1 3.96Å; W23-F47 HydrophobicContact CZ2-CZ 4.02Å; W23-F47 HydrophobicContact CZ3-CZ 4.46Å; W23-L110 HydrophobicContact CZ3-CD1 3.83Å; W23-F113 HydrophobicContact CH2-CD1 4.19Å; W23-K114 HydrophobicContact CD2-CD 3.54Å; W23-K114 HydrophobicContact CE3-CD 3.71Å; W23-K114 HydrophobicContact CE3-CG 4.49Å; W23-K114 HydrophobicContact CG-CD 4.26Å; W23-K114 HydrophobicContact CH2-CB 4.1Å; W23-K114 HydrophobicContact CH2-CD 3.6Å; W23-K114 HydrophobicContact CH2-CG 4.47Å; W23-K114 HydrophobicContact CZ2-CD 3.44Å; W23-K114 VanDerWaalsContact CZ2-CD 3.44Å; W23-K114 HydrophobicContact CZ3-CB 3.96Å; W23-K114 HydrophobicContact CZ3-CD 3.72Å; W23-K114 HydrophobicContact CZ3-CG 4.36Å; W23-F117 HydrophobicContact CH2-CB 4.27Å; W23-F117 HydrophobicContact CH2-CG 4.42Å; W23-F117 HydrophobicContact CZ2-CB 3.97Å; W23-F117 AromaticContact CZ2-CD1 3.8Å; W23-F117 HydrophobicContact CZ2-CD1 3.8Å; W23-F117 HydrophobicContact CZ2-CD2 4.18Å; W23-F117 HydrophobicContact CZ2-CE1 4.35Å; W23-F117 AromaticContact CZ2-CG 3.71Å; W23-F117 HydrophobicContact CZ2-CG 3.71Å
24V96.7Very high92.3Very high0 Ų062.4 Ų62.40%033%0.325CS..Hα-helixtrans-61.7-46.4179.4175.50000111.4M20 L21 H26 C27 L28 Y32 L38 F47 L110M20-V24 WeakPolarHBondContact O-CG2 3.41Å; M20-V24 PolarHBondContact O-N 2.95Å; M20-V24 VanDerWaalsContact O-N 3.08Å; L21-V24 PolarHBondContact O-N 2.92Å; V24-H26 VanDerWaalsContact C-N 3.33Å; V24-H26 PolarHBondContact O-N 3.49Å; V24-C27 PolarHBondContact O-N 3.07Å; V24-L28 HydrophobicContact CG1-CD1 4.16Å; V24-L28 WeakPolarHBondContact O-CB 3.46Å; V24-L28 PolarHBondContact O-N 2.86Å; V24-Y32 HydrophobicContact CG1-CD2 3.69Å; V24-Y32 HydrophobicContact CG1-CE2 3.94Å; V24-L38 HydrophobicContact CG1-CD2 4.09Å; V24-L38 HydrophobicContact CG2-CD1 4.49Å; V24-F47 HydrophobicContact CB-CZ 4.38Å; V24-F47 HydrophobicContact CG1-CE2 4.07Å; V24-F47 HydrophobicContact CG1-CZ 4.17Å; V24-F47 HydrophobicContact CG2-CE2 4.19Å; V24-F47 HydrophobicContact CG2-CZ 4.17Å; V24-L110 HydrophobicContact CG2-CD1 4.07Å
25N95.2Very high93.3Very high35 Ų3557.8 Ų57.819%0.18730%0.3CS..Hα-helixtrans-62.2-42.1-179.8-72.7-14.6000111.6L21 A22 W23 N29 S30 Y32L21-N25 WeakPolarHBondContact O-CB 3.31Å; L21-N25 VanDerWaalsContact O-CG 3.26Å; L21-N25 PolarHBondContact O-N 2.87Å; L21-N25 PolarHBondContact O-ND2 3.46Å; A22-N25 PolarHBondContact O-N 2.77Å; W23-N25 PolarHBondContact O-N 2.73Å; N25-N29 WeakPolarHBondContact O-CA 3.34Å; N25-N29 PolarHBondContact O-N 3.04Å; N25-S30 WeakPolarHBondContact CA-O 3.29Å; N25-S30 WeakPolarHBondContact CB-O 3.48Å; N25-S30 PolarHBondContact O-N 3.4Å; N25-S30 PolarHBondContact OD1-O 3Å; N25-S30 PolarHBondContact OD1-OG 3.26Å; N25-Y32 PolarHBondContact ND2-O 3.37Å; N25-Y32 WeakPolarHBondContact OD1-CB 3.49Å; N25-Y32 WeakPolarHBondContact OD1-CD2 3.24Å; N25-Y32 PolarHBondContact OD1-N 2.84Å
26H93.5Very high93.8Very high150 Ų15057.9 Ų57.969%0.69430%0.298SS*.Hα-helixtrans-65.4-47.8176.4-177.573.3000112.7A22 W23 V24 L28A22-H26 VanDerWaalsContact O-CB 3.24Å; A22-H26 WeakPolarHBondContact O-CB 3.33Å; A22-H26 PolarHBondContact O-N 3.21Å; W23-H26 PolarHBondContact O-N 3.44Å; V24-H26 VanDerWaalsContact C-N 3.33Å; V24-H26 PolarHBondContact O-N 3.49Å; H26-L28 PolarHBondContact O-N 3.32Å
27C93Very high94Very high28 Ų2858.7 Ų58.719%0.18930%0.297CS..Hα-helixtrans-68.8-35.9-177.3-75.40000113.3W23 V24 F47 M50W23-C27 VanDerWaalsContact CD1-SG 3.56Å; W23-C27 PolarHBondContact NE1-SG 2.92Å; W23-C27 WeakPolarHBondContact O-CB 3.39Å; W23-C27 PolarHBondContact O-N 3.11Å; V24-C27 PolarHBondContact O-N 3.07Å; C27-F47 HydrophobicContact CB-CE1 3.61Å; C27-F47 HydrophobicContact CB-CZ 4.14Å; C27-M50 HydrophobicContact CB-CE 4.27Å; C27-M50 VanDerWaalsContact O-CE 3.26Å; C27-M50 WeakPolarHBondContact O-CE 3.43Å
28L93.3Very high94.2Very high6 Ų652.1 Ų52.13%0.03127%0.272CS..Hα-helixtrans-102.11.1-175-59.2-174.4000113.9V24 H26 S30 A43 N46 F47 M50 A128V24-L28 HydrophobicContact CG1-CD1 4.16Å; V24-L28 WeakPolarHBondContact O-CB 3.46Å; V24-L28 PolarHBondContact O-N 2.86Å; H26-L28 PolarHBondContact O-N 3.32Å; L28-S30 VanDerWaalsContact C-N 3.27Å; L28-S30 PolarHBondContact O-N 2.94Å; L28-A43 HydrophobicContact CD1-CB 3.76Å; L28-N46 HydrophobicContact CD1-CB 4.37Å; L28-N46 HydrophobicContact CD2-CB 4.06Å; L28-F47 HydrophobicContact CD1-CD2 3.94Å; L28-F47 HydrophobicContact CD1-CE1 4.39Å; L28-F47 HydrophobicContact CD1-CE2 3.59Å; L28-F47 HydrophobicContact CD1-CG 4.47Å; L28-F47 HydrophobicContact CD1-CZ 3.85Å; L28-F47 HydrophobicContact CD2-CD1 3.9Å; L28-F47 HydrophobicContact CD2-CD2 4.5Å; L28-F47 HydrophobicContact CD2-CE1 3.87Å; L28-F47 HydrophobicContact CD2-CE2 4.46Å; L28-F47 HydrophobicContact CD2-CG 4.23Å; L28-F47 HydrophobicContact CD2-CZ 4.15Å; L28-F47 HydrophobicContact CG-CD1 4.39Å; L28-F47 HydrophobicContact CG-CD2 4.48Å; L28-F47 HydrophobicContact CG-CE1 3.94Å; L28-F47 HydrophobicContact CG-CE2 4.02Å; L28-F47 HydrophobicContact CG-CZ 3.73Å; L28-M50 HydrophobicContact CD2-CE 3.82Å; L28-A128 HydrophobicContact CB-CB 4.3Å; L28-A128 HydrophobicContact CD2-CB 4.16Å; L28-A128 WeakPolarHBondContact O-CB 3.38Å
29N90.5Very high94.4Very high93 Ų9348.5 Ų48.550%0.49726%0.256SS..THydrogen-bonded Turntrans47.253.5-169.2-64.8-44.4000111.1N25 L129N25-N29 WeakPolarHBondContact O-CA 3.34Å; N25-N29 PolarHBondContact O-N 3.04Å; N29-L129 HydrophobicContact CB-CD1 4.1Å; N29-L129 HydrophobicContact CB-CG 4.14Å
30S90.4Very high94.4Very high22 Ų2245.3 Ų45.315%0.15424%0.24CC..  trans-123.9170.3-174.862.20000111.4N25 L28 Y32N25-S30 WeakPolarHBondContact CA-O 3.29Å; N25-S30 WeakPolarHBondContact CB-O 3.48Å; N25-S30 PolarHBondContact O-N 3.4Å; N25-S30 PolarHBondContact OD1-O 3Å; N25-S30 PolarHBondContact OD1-OG 3.26Å; L28-S30 VanDerWaalsContact C-N 3.27Å; L28-S30 PolarHBondContact O-N 2.94Å; S30-Y32 VanDerWaalsContact OG-CD2 3.28Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.31Å; S30-Y32 VanDerWaalsContact OG-CE2 3.3Å; S30-Y32 WeakPolarHBondContact OG-CE2 3.39Å
31N90.5Very high94.5Very high110 Ų11045.2 Ų45.259%0.58824%0.239SC*.  trans-12948.6-173-63.5-47.5000112S33 R175N31-S33 PolarHBondContact O-N 3.43Å; N31-R175 PolarHBondContact ND2-NH2 3.47Å
32Y93.3Very high94.6Very high41 Ų4144.3 Ų44.316%0.16124%0.235CC..  trans-66.6126.8175-65.5-70.6000110.5V24 N25 S30 E37 L38 A43V24-Y32 HydrophobicContact CG1-CD2 3.69Å; V24-Y32 HydrophobicContact CG1-CE2 3.94Å; N25-Y32 PolarHBondContact ND2-O 3.37Å; N25-Y32 WeakPolarHBondContact OD1-CB 3.49Å; N25-Y32 WeakPolarHBondContact OD1-CD2 3.24Å; N25-Y32 PolarHBondContact OD1-N 2.84Å; S30-Y32 VanDerWaalsContact OG-CD2 3.28Å; S30-Y32 WeakPolarHBondContact OG-CD2 3.31Å; S30-Y32 VanDerWaalsContact OG-CE2 3.3Å; S30-Y32 WeakPolarHBondContact OG-CE2 3.39Å; Y32-E37 WeakPolarHBondContact CA-OE2 3.02Å; Y32-E37 HydrophobicContact CD1-CB 3.58Å; Y32-E37 WeakPolarHBondContact CD1-OE2 3.42Å; Y32-E37 HydrophobicContact CE1-CB 4.14Å; Y32-L38 HydrophobicContact CD1-CD2 4.19Å; Y32-L38 HydrophobicContact CD2-CD2 3.94Å; Y32-L38 HydrophobicContact CE1-CD2 4.1Å; Y32-L38 HydrophobicContact CE2-CD2 3.83Å; Y32-L38 HydrophobicContact CG-CD2 4.11Å; Y32-A43 HydrophobicContact CE2-CB 4.13Å
33S93.8Very high94.6Very high67 Ų6741.6 Ų41.647%0.46921%0.212SC..  trans-94.9-25.117978.20000112.6L21 N31 E37L21-S33 WeakPolarHBondContact CD1-O 3.37Å; N31-S33 PolarHBondContact O-N 3.43Å; S33-E37 PolarHBondContact N-OE1 3.14Å; S33-E37 PolarHBondContact N-OE2 2.95Å; S33-E37 PolarHBondContact OG-OE1 3.33Å
34K94.7Very high94.7Very high124 Ų12440.1 Ų40.154%0.53921%0.206SC..SBendtrans-136.4143.7-175.9-68178.7-171.7179.60109.9E36 E37K34-E36 WeakPolarHBondContact CB-OE2 3.02Å; K34-E36 PolarHBondContact O-N 2.93Å; K34-E37 HydrophobicContact CB-CG 4.2Å; K34-E37 PolarHBondContact N-OE1 3.5Å; K34-E37 WeakPolarHBondContact O-CB 3.44Å; K34-E37 PolarHBondContact O-N 2.9Å; K34-E37 VanDerWaalsContact O-N 3.1Å
35I95.6Very high94.7Very high2 Ų240.1 Ų40.11%0.0121%0.206CC..G310 helixtrans-64.4-31.4179.7-67-171.6000110.7R17 L21 E37 L38 F103 N106 F107 L110R17-I35 HydrophobicContact CB-CD1 3.74Å; L21-I35 HydrophobicContact CD1-CG1 4.03Å; L21-I35 HydrophobicContact CD2-CG1 3.86Å; L21-I35 HydrophobicContact CG-CD1 4.48Å; L21-I35 HydrophobicContact CG-CG1 3.7Å; I35-E37 PolarHBondContact O-N 3.41Å; I35-L38 WeakPolarHBondContact O-CB 3.11Å; I35-L38 WeakPolarHBondContact O-CG 3.47Å; I35-L38 PolarHBondContact O-N 3.37Å; I35-L38 VanDerWaalsContact O-N 3.08Å; I35-F103 HydrophobicContact CB-CD2 4.3Å; I35-F103 HydrophobicContact CB-CE2 4.26Å; I35-F103 HydrophobicContact CD1-CE2 3.96Å; I35-F103 HydrophobicContact CG1-CE2 4.37Å; I35-N106 HydrophobicContact CG2-CB 4.03Å; I35-F107 HydrophobicContact CD1-CD2 3.35Å; I35-F107 HydrophobicContact CD1-CE2 3.8Å; I35-F107 HydrophobicContact CD1-CG 4.23Å; I35-F107 HydrophobicContact CG2-CB 4.23Å; I35-L110 HydrophobicContact CD1-CD2 4.32Å; I35-L110 HydrophobicContact CG1-CD2 4.44Å; I35-L110 HydrophobicContact CG2-CD2 3.97Å
36E96Very high94.7Very high61 Ų6138.8 Ų38.829%0.28520%0.199SC..G310 helixtrans-57.5-26.3175.9-60.393.7133.400112.7K34 L38 C39 G101 F103K34-E36 WeakPolarHBondContact CB-OE2 3.02Å; K34-E36 PolarHBondContact O-N 2.93Å; E36-L38 PolarHBondContact O-N 3.01Å; E36-C39 WeakPolarHBondContact O-CB 3.36Å; E36-C39 PolarHBondContact O-N 3.48Å; E36-C39 VanDerWaalsContact O-N 3.09Å; E36-C39 PolarHBondContact O-SG 2.73Å; E36-G101 WeakPolarHBondContact CB-O 3.26Å; E36-G101 WeakPolarHBondContact CG-O 3.34Å; E36-F103 HydrophobicContact CG-CB 4.17Å
37E95.5Very high94.9Very high68 Ų6831.6 Ų31.632%0.31817%0.166SC..G310 helixtrans-66.5-19.7178.2-66.4170.8-15200112.8Y32 S33 K34 I35 C39 N40Y32-E37 WeakPolarHBondContact CA-OE2 3.02Å; Y32-E37 HydrophobicContact CD1-CB 3.58Å; Y32-E37 WeakPolarHBondContact CD1-OE2 3.42Å; Y32-E37 HydrophobicContact CE1-CB 4.14Å; S33-E37 PolarHBondContact N-OE1 3.14Å; S33-E37 PolarHBondContact N-OE2 2.95Å; S33-E37 PolarHBondContact OG-OE1 3.33Å; K34-E37 HydrophobicContact CB-CG 4.2Å; K34-E37 PolarHBondContact N-OE1 3.5Å; K34-E37 WeakPolarHBondContact O-CB 3.44Å; K34-E37 PolarHBondContact O-N 2.9Å; K34-E37 VanDerWaalsContact O-N 3.1Å; I35-E37 PolarHBondContact O-N 3.41Å; E37-C39 PolarHBondContact O-N 2.82Å; E37-N40 PolarHBondContact O-ND2 3.41Å
38L96.6Very high95Very high0 Ų030.3 Ų30.30%016%0.157CC..G310 helixtrans-72.8-8.2175.1-56.8172.6000112.9V24 Y32 I35 E36 N40 G41 A43 Y44 L110V24-L38 HydrophobicContact CG1-CD2 4.09Å; V24-L38 HydrophobicContact CG2-CD1 4.49Å; Y32-L38 HydrophobicContact CD1-CD2 4.19Å; Y32-L38 HydrophobicContact CD2-CD2 3.94Å; Y32-L38 HydrophobicContact CE1-CD2 4.1Å; Y32-L38 HydrophobicContact CE2-CD2 3.83Å; Y32-L38 HydrophobicContact CG-CD2 4.11Å; I35-L38 WeakPolarHBondContact O-CB 3.11Å; I35-L38 WeakPolarHBondContact O-CG 3.47Å; I35-L38 PolarHBondContact O-N 3.37Å; I35-L38 VanDerWaalsContact O-N 3.08Å; E36-L38 PolarHBondContact O-N 3.01Å; L38-N40 PolarHBondContact O-N 3.1Å; L38-G41 PolarHBondContact O-N 3.27Å; L38-A43 HydrophobicContact CD2-CB 3.61Å; L38-Y44 HydrophobicContact CB-CE2 4.06Å; L38-L110 HydrophobicContact CD1-CD1 3.91Å; L38-L110 HydrophobicContact CD1-CD2 3.49Å; L38-L110 VanDerWaalsContact CD1-CD2 3.49Å; L38-L110 HydrophobicContact CD1-CG 4.26Å
39C97.2Very high95.1Very high13 Ų1331 Ų319%0.08816%0.161CC..G310 helixtrans-60-14.5176.271.50000114.1E36 E37 G41 F75 L98 N106E36-C39 WeakPolarHBondContact O-CB 3.36Å; E36-C39 PolarHBondContact O-N 3.48Å; E36-C39 VanDerWaalsContact O-N 3.09Å; E36-C39 PolarHBondContact O-SG 2.73Å; E37-C39 PolarHBondContact O-N 2.82Å; C39-G41 VanDerWaalsContact C-N 3.27Å; C39-G41 PolarHBondContact O-N 3.26Å; C39-F75 WeakPolarHBondContact O-CE2 3.4Å; C39-L98 WeakPolarHBondContact CB-O 3.28Å; C39-N106 WeakPolarHBondContact CA-OD1 3.47Å
40N95.5Very high95.2Very high20 Ų2026.8 Ų26.811%0.10714%0.139CC..G310 helixtrans-77-12.5175.669.128.7000113.5E37 L38 A42 T65 Y71 N74E37-N40 PolarHBondContact O-ND2 3.41Å; L38-N40 PolarHBondContact O-N 3.1Å; N40-A42 PolarHBondContact O-N 2.92Å; N40-A42 WeakPolarHBondContact OD1-CB 3.43Å; N40-A42 PolarHBondContact OD1-N 3.45Å; N40-T65 HydrophobicContact CB-CG2 4.28Å; N40-Y71 HydrophobicContact CB-CD1 3.61Å; N40-Y71 HydrophobicContact CB-CE1 3.57Å; N40-Y71 HydrophobicContact CB-CG 4.19Å; N40-N74 WeakPolarHBondContact O-CB 3.5Å; N40-N74 PolarHBondContact O-ND2 3.48Å
41G96.8Very high95.5Very high0 Ų025.8 Ų25.80%013%0.131CC..SBendtrans76.1-7.3177.200000116.3L38 C39 Y44 C45L38-G41 PolarHBondContact O-N 3.27Å; C39-G41 VanDerWaalsContact C-N 3.27Å; C39-G41 PolarHBondContact O-N 3.26Å; G41-Y44 PolarHBondContact O-N 3.32Å; G41-C45 PolarHBondContact O-N 2.84Å; G41-C45 PolarHBondContact O-SG 3.41Å
42A96.6Very high95.6Very high1 Ų122 Ų221%0.00811%0.11CC..Hα-helixtrans-69.3-41.9-174.200000112.3N40 Y44 C45 N46 V61 W63N40-A42 PolarHBondContact O-N 2.92Å; N40-A42 WeakPolarHBondContact OD1-CB 3.43Å; N40-A42 PolarHBondContact OD1-N 3.45Å; A42-Y44 VanDerWaalsContact C-N 3.34Å; A42-Y44 PolarHBondContact O-N 3.41Å; A42-C45 WeakPolarHBondContact O-CB 3.44Å; A42-C45 PolarHBondContact O-N 2.79Å; A42-N46 PolarHBondContact O-N 3.3Å; A42-V61 HydrophobicContact CB-CG1 3.89Å; A42-W63 HydrophobicContact CB-CE3 3.91Å; A42-W63 HydrophobicContact CB-CZ3 4.19Å
43A96.9Very high95.6Very high1 Ų124.2 Ų24.21%0.00813%0.129CC..Hα-helixtrans-57-45.7176.400000112L28 Y32 L38 C45 N46 F47L28-A43 HydrophobicContact CD1-CB 3.76Å; Y32-A43 HydrophobicContact CE2-CB 4.13Å; L38-A43 HydrophobicContact CD2-CB 3.61Å; A43-C45 VanDerWaalsContact C-N 3.32Å; A43-C45 PolarHBondContact O-N 3.3Å; A43-N46 WeakPolarHBondContact O-CB 3.39Å; A43-N46 PolarHBondContact O-N 2.94Å; A43-N46 VanDerWaalsContact O-N 3.09Å; A43-F47 VanDerWaalsContact O-CD2 3.22Å; A43-F47 WeakPolarHBondContact O-CD2 3.11Å; A43-F47 PolarHBondContact O-N 3.14Å
44Y97.5Very high95.5Very high0 Ų023.8 Ų23.80%014%0.136CC..Hα-helixtrans-64.2-36.5178.5-60.4-60.9000112.6L38 G41 A42 N46 F47 M48 F75 L78 F109 L110 F113L38-Y44 HydrophobicContact CB-CE2 4.06Å; G41-Y44 PolarHBondContact O-N 3.32Å; A42-Y44 VanDerWaalsContact C-N 3.34Å; A42-Y44 PolarHBondContact O-N 3.41Å; Y44-N46 VanDerWaalsContact C-N 3.3Å; Y44-N46 PolarHBondContact O-N 2.89Å; Y44-F47 PolarHBondContact O-N 3.19Å; Y44-M48 WeakPolarHBondContact O-CG 3.4Å; Y44-M48 PolarHBondContact O-N 3.34Å; Y44-F75 AromaticContact CD2-CE1 3.92Å; Y44-F75 HydrophobicContact CD2-CE1 3.92Å; Y44-F75 HydrophobicContact CD2-CZ 4.36Å; Y44-F75 HydrophobicContact CE2-CE1 4.24Å; Y44-F75 HydrophobicContact CE2-CZ 4.38Å; Y44-L78 HydrophobicContact CD2-CD2 4.46Å; Y44-L78 HydrophobicContact CG-CD2 4.22Å; Y44-F109 HydrophobicContact CD1-CE1 4.07Å; Y44-F109 AromaticContact CD2-CE1 3.99Å; Y44-F109 HydrophobicContact CD2-CE1 3.99Å; Y44-F109 HydrophobicContact CE1-CD1 4.05Å; Y44-F109 AromaticContact CE1-CE1 3.86Å; Y44-F109 HydrophobicContact CE1-CE1 3.86Å; Y44-F109 AromaticContact CE2-CD1 3.9Å; Y44-F109 HydrophobicContact CE2-CD1 3.9Å; Y44-F109 AromaticContact CE2-CE1 3.79Å; Y44-F109 HydrophobicContact CE2-CE1 3.79Å; Y44-F109 HydrophobicContact CG-CE1 4.14Å; Y44-F109 AromaticContact CZ-CD1 3.61Å; Y44-F109 AromaticContact CZ-CE1 3.72Å; Y44-L110 HydrophobicContact CE1-CD1 3.93Å; Y44-F113 HydrophobicContact CD1-CB 4.49Å; Y44-F113 AromaticContact CD1-CD1 3.9Å; Y44-F113 HydrophobicContact CD1-CD1 3.9Å; Y44-F113 AromaticContact CD1-CD2 3.67Å; Y44-F113 HydrophobicContact CD1-CD2 3.67Å; Y44-F113 HydrophobicContact CD1-CE1 4.02Å; Y44-F113 AromaticContact CD1-CE2 3.77Å; Y44-F113 HydrophobicContact CD1-CE2 3.77Å; Y44-F113 AromaticContact CD1-CG 3.75Å; Y44-F113 HydrophobicContact CD1-CG 3.75Å; Y44-F113 AromaticContact CD1-CZ 3.96Å; Y44-F113 HydrophobicContact CD1-CZ 3.96Å; Y44-F113 HydrophobicContact CE1-CB 4.15Å; Y44-F113 HydrophobicContact CE1-CD1 4.13Å; Y44-F113 HydrophobicContact CE1-CD2 4.15Å; Y44-F113 AromaticContact CE1-CG 3.87Å; Y44-F113 HydrophobicContact CE1-CG 3.87Å; Y44-F113 HydrophobicContact CG-CE2 4.4Å
45C97Very high95.4Very high0 Ų018.2 Ų18.20%011%0.112CC..Hα-helixtrans-63.4-38.8173.1-66.40000111.6G41 A42 A43 M48 D49 V56 V61 N74G41-C45 PolarHBondContact O-N 2.84Å; G41-C45 PolarHBondContact O-SG 3.41Å; A42-C45 WeakPolarHBondContact O-CB 3.44Å; A42-C45 PolarHBondContact O-N 2.79Å; A43-C45 VanDerWaalsContact C-N 3.32Å; A43-C45 PolarHBondContact O-N 3.3Å; C45-M48 PolarHBondContact O-N 3.2Å; C45-D49 PolarHBondContact O-N 2.64Å; C45-D49 VanDerWaalsContact O-N 3.15Å; C45-V56 HydrophobicContact CB-CG1 3.99Å; C45-V61 HydrophobicContact CB-CG1 4.2Å; C45-V61 HydrophobicContact CB-CG2 3.64Å; C45-N74 PolarHBondContact SG-O 2.9Å
46N95.3Very high95.4Very high7 Ų718.3 Ų18.34%0.03711%0.113CC..Hα-helixtrans-67.4-43.8178-157.3-175.9000111.7L28 A42 A43 Y44 M48 D49 M50 W63 Y126 A128L28-N46 HydrophobicContact CD1-CB 4.37Å; L28-N46 HydrophobicContact CD2-CB 4.06Å; A42-N46 PolarHBondContact O-N 3.3Å; A43-N46 WeakPolarHBondContact O-CB 3.39Å; A43-N46 PolarHBondContact O-N 2.94Å; A43-N46 VanDerWaalsContact O-N 3.09Å; Y44-N46 VanDerWaalsContact C-N 3.3Å; Y44-N46 PolarHBondContact O-N 2.89Å; N46-M48 VanDerWaalsContact C-N 3.3Å; N46-M48 PolarHBondContact O-N 3.1Å; N46-D49 PolarHBondContact O-N 2.67Å; N46-M50 PolarHBondContact O-N 2.83Å; N46-W63 HydrophobicContact CB-CH2 3.86Å; N46-W63 HydrophobicContact CB-CZ3 3.97Å; N46-Y126 WeakPolarHBondContact ND2-CE1 3.31Å; N46-Y126 PolarHBondContact ND2-OH 2.76Å; N46-A128 WeakPolarHBondContact OD1-CB 3.17Å
47F96.8Very high95.3Very high0 Ų017 Ų170%011%0.11CC..Hα-helixtrans-59.8-39172.4-79.6-60.1000112.7W23 V24 C27 L28 A43 Y44 D49 M50 L51 F113 F117W23-F47 HydrophobicContact CH2-CE1 4.33Å; W23-F47 HydrophobicContact CH2-CE2 4.4Å; W23-F47 HydrophobicContact CH2-CZ 4.04Å; W23-F47 AromaticContact CZ2-CE1 3.96Å; W23-F47 HydrophobicContact CZ2-CE1 3.96Å; W23-F47 HydrophobicContact CZ2-CZ 4.02Å; W23-F47 HydrophobicContact CZ3-CZ 4.46Å; V24-F47 HydrophobicContact CB-CZ 4.38Å; V24-F47 HydrophobicContact CG1-CE2 4.07Å; V24-F47 HydrophobicContact CG1-CZ 4.17Å; V24-F47 HydrophobicContact CG2-CE2 4.19Å; V24-F47 HydrophobicContact CG2-CZ 4.17Å; C27-F47 HydrophobicContact CB-CE1 3.61Å; C27-F47 HydrophobicContact CB-CZ 4.14Å; L28-F47 HydrophobicContact CD1-CD2 3.94Å; L28-F47 HydrophobicContact CD1-CE1 4.39Å; L28-F47 HydrophobicContact CD1-CE2 3.59Å; L28-F47 HydrophobicContact CD1-CG 4.47Å; L28-F47 HydrophobicContact CD1-CZ 3.85Å; L28-F47 HydrophobicContact CD2-CD1 3.9Å; L28-F47 HydrophobicContact CD2-CD2 4.5Å; L28-F47 HydrophobicContact CD2-CE1 3.87Å; L28-F47 HydrophobicContact CD2-CE2 4.46Å; L28-F47 HydrophobicContact CD2-CG 4.23Å; L28-F47 HydrophobicContact CD2-CZ 4.15Å; L28-F47 HydrophobicContact CG-CD1 4.39Å; L28-F47 HydrophobicContact CG-CD2 4.48Å; L28-F47 HydrophobicContact CG-CE1 3.94Å; L28-F47 HydrophobicContact CG-CE2 4.02Å; L28-F47 HydrophobicContact CG-CZ 3.73Å; A43-F47 VanDerWaalsContact O-CD2 3.22Å; A43-F47 WeakPolarHBondContact O-CD2 3.11Å; A43-F47 PolarHBondContact O-N 3.14Å; Y44-F47 PolarHBondContact O-N 3.19Å; F47-D49 VanDerWaalsContact C-N 3.34Å; F47-D49 PolarHBondContact O-N 2.82Å; F47-M50 HydrophobicContact CD1-CE 4.44Å; F47-M50 HydrophobicContact CD1-SD 4.29Å; F47-M50 WeakPolarHBondContact O-CB 3.18Å; F47-M50 PolarHBondContact O-N 3.28Å; F47-L51 WeakPolarHBondContact O-CG 3.4Å; F47-L51 PolarHBondContact O-N 3.19Å; F47-F113 HydrophobicContact CB-CE1 3.51Å; F47-F113 HydrophobicContact CB-CZ 3.53Å; F47-F113 HydrophobicContact CD2-CD1 4.47Å; F47-F113 AromaticContact CD2-CE1 3.69Å; F47-F113 HydrophobicContact CD2-CE1 3.69Å; F47-F113 HydrophobicContact CD2-CZ 4.32Å; F47-F113 AromaticContact CG-CE1 3.69Å; F47-F113 HydrophobicContact CG-CE1 3.69Å; F47-F113 HydrophobicContact CG-CZ 4.21Å; F47-F117 AromaticContact CD1-CD2 3.87Å; F47-F117 HydrophobicContact CD1-CD2 3.87Å; F47-F117 AromaticContact CD1-CE2 3.69Å; F47-F117 HydrophobicContact CD1-CE2 3.69Å; F47-F117 HydrophobicContact CE1-CD2 4.39Å; F47-F117 HydrophobicContact CE1-CE2 4.16Å
48M95.3Very high95.2Very high0 Ų014.7 Ų14.70%010%0.099CC..Hα-helixtrans-65.7-37.4177.7-83.4-62.8-69.600113.1Y44 C45 N46 M50 F52 S55 V56 L78 F82 M85 F116Y44-M48 WeakPolarHBondContact O-CG 3.4Å; Y44-M48 PolarHBondContact O-N 3.34Å; C45-M48 PolarHBondContact O-N 3.2Å; N46-M48 VanDerWaalsContact C-N 3.3Å; N46-M48 PolarHBondContact O-N 3.1Å; M48-M50 VanDerWaalsContact C-N 3.34Å; M48-F52 HydrophobicContact CE-CD2 4.02Å; M48-F52 CarbonylContact O-C 3.45Å; M48-F52 WeakPolarHBondContact O-CA 3.21Å; M48-F52 PolarHBondContact O-N 3.23Å; M48-F52 HydrophobicContact SD-CD2 4.26Å; M48-S55 PolarHBondContact O-OG 3.28Å; M48-S55 VanDerWaalsContact O-OG 3.1Å; M48-V56 HydrophobicContact CB-CB 4.43Å; M48-V56 HydrophobicContact CB-CG2 3.5Å; M48-V56 VanDerWaalsContact CB-CG2 3.5Å; M48-V56 HydrophobicContact CG-CG2 4.25Å; M48-L78 HydrophobicContact CB-CD1 4.46Å; M48-L78 HydrophobicContact CG-CD1 3.5Å; M48-L78 VanDerWaalsContact CG-CD1 3.5Å; M48-F82 HydrophobicContact CE-CD1 3.62Å; M48-F82 HydrophobicContact CE-CE1 4.06Å; M48-F82 HydrophobicContact CG-CD1 4.37Å; M48-F82 HydrophobicContact CG-CE1 4.01Å; M48-F82 HydrophobicContact SD-CD1 3.63Å; M48-F82 HydrophobicContact SD-CE1 3.39Å; M48-F82 WeakPolarHBondContact SD-CE1 3.44Å; M48-M85 HydrophobicContact CE-CG 4.11Å; M48-F116 HydrophobicContact SD-CE1 3.94Å; M48-F116 HydrophobicContact SD-CZ 4.45Å
49D94.9Very high95Very high22 Ų2222.1 Ų22.112%0.11813%0.131CC..Hα-helixtrans-68.7-34.9172.1-174.569.9000111.9C45 N46 F47 F52 P53 G54 L58 Y126C45-D49 PolarHBondContact O-N 2.64Å; C45-D49 VanDerWaalsContact O-N 3.15Å; N46-D49 PolarHBondContact O-N 2.67Å; F47-D49 VanDerWaalsContact C-N 3.34Å; F47-D49 PolarHBondContact O-N 2.82Å; D49-F52 CarbonylContact O-C 3.4Å; D49-P53 VanDerWaalsContact O-CA 3.23Å; D49-P53 WeakPolarHBondContact O-CA 3.47Å; D49-P53 WeakPolarHBondContact O-CD 3.45Å; D49-P53 WeakPolarHBondContact O-CG 3.48Å; D49-P53 VanDerWaalsContact O-N 3.09Å; D49-G54 PolarHBondContact OD1-N 3.47Å; D49-G54 VanDerWaalsContact OD1-N 3.17Å; D49-L58 HydrophobicContact CB-CD1 3.86Å; D49-L58 HydrophobicContact CB-CD2 3.9Å; D49-L58 HydrophobicContact CB-CG 4Å; D49-L58 WeakPolarHBondContact OD2-CD1 3.46Å; D49-Y126 VanDerWaalsContact OD2-CE2 3.28Å; D49-Y126 WeakPolarHBondContact OD2-CE2 3.46Å; D49-Y126 PolarHBondContact OD2-OH 3.47Å
50M94.4Very high94.8Very high4 Ų427.3 Ų27.32%0.0215%0.153CC..Hα-helixtrans-62.1-47.8171.9-179.7-170.8-66.600112.3C27 L28 N46 F47 M48 F117 Y121 K124 Y126C27-M50 HydrophobicContact CB-CE 4.27Å; C27-M50 VanDerWaalsContact O-CE 3.26Å; C27-M50 WeakPolarHBondContact O-CE 3.43Å; L28-M50 HydrophobicContact CD2-CE 3.82Å; N46-M50 PolarHBondContact O-N 2.83Å; F47-M50 HydrophobicContact CD1-CE 4.44Å; F47-M50 HydrophobicContact CD1-SD 4.29Å; F47-M50 WeakPolarHBondContact O-CB 3.18Å; F47-M50 PolarHBondContact O-N 3.28Å; M48-M50 VanDerWaalsContact C-N 3.34Å; M50-F117 HydrophobicContact CG-CE2 4.46Å; M50-F117 HydrophobicContact SD-CE2 3.53Å; M50-F117 VanDerWaalsContact SD-CE2 3.53Å; M50-F117 HydrophobicContact SD-CZ 3.62Å; M50-Y121 HydrophobicContact CG-CE2 4.03Å; M50-Y121 HydrophobicContact SD-CE2 4.06Å; M50-K124 WeakPolarHBondContact O-CE 3.33Å; M50-Y126 HydrophobicContact CB-CD1 3.71Å; M50-Y126 HydrophobicContact CB-CD2 3.98Å; M50-Y126 HydrophobicContact CB-CE1 3.81Å; M50-Y126 HydrophobicContact CB-CE2 4.11Å; M50-Y126 HydrophobicContact CB-CG 3.77Å; M50-Y126 HydrophobicContact CE-CD1 3.34Å; M50-Y126 HydrophobicContact CE-CE1 3.99Å; M50-Y126 HydrophobicContact CE-CG 4.06Å; M50-Y126 HydrophobicContact CG-CD1 3.8Å; M50-Y126 HydrophobicContact CG-CD2 4.17Å; M50-Y126 HydrophobicContact CG-CE1 4.4Å; M50-Y126 HydrophobicContact CG-CG 3.62Å; M50-Y126 HydrophobicContact SD-CD1 4.39Å
51L94.8Very high94.8Very high1 Ų126.7 Ų26.71%0.00515%0.149CC..Hα-helixtrans-69.2-46.6179.1-69.3173.6000111.2F47 F116 F117 N120 Y121 K124F47-L51 WeakPolarHBondContact O-CG 3.4Å; F47-L51 PolarHBondContact O-N 3.19Å; L51-F116 HydrophobicContact CD1-CD1 4.04Å; L51-F116 HydrophobicContact CD1-CE1 3.71Å; L51-F117 HydrophobicContact CD1-CD2 3.9Å; L51-F117 HydrophobicContact CD2-CD2 3.61Å; L51-F117 HydrophobicContact CD2-CE2 3.73Å; L51-F117 HydrophobicContact CD2-CG 4.18Å; L51-F117 HydrophobicContact CD2-CZ 4.41Å; L51-F117 HydrophobicContact CG-CD2 3.8Å; L51-F117 HydrophobicContact CG-CE2 4.02Å; L51-N120 HydrophobicContact CD1-CB 4.38Å; L51-N120 HydrophobicContact CD2-CB 4Å; L51-Y121 HydrophobicContact CD2-CD2 4.1Å; L51-Y121 HydrophobicContact CD2-CG 4.39Å; L51-K124 PolarHBondContact O-NZ 3.41Å
52F94.3Very high94.7Very high29 Ų2930.7 Ų30.713%0.12717%0.167CC..SBendtrans-13686.1-172.8-50-67.1000110.2A2 M48 D49 G54 S55 M85 F116 N120A2-F52 HydrophobicContact CB-CE2 3.97Å; A2-F52 HydrophobicContact CB-CZ 3.65Å; M48-F52 HydrophobicContact CE-CD2 4.02Å; M48-F52 CarbonylContact O-C 3.45Å; M48-F52 WeakPolarHBondContact O-CA 3.21Å; M48-F52 PolarHBondContact O-N 3.23Å; M48-F52 HydrophobicContact SD-CD2 4.26Å; D49-F52 CarbonylContact O-C 3.4Å; F52-G54 PolarHBondContact O-N 2.9Å; F52-S55 WeakPolarHBondContact O-CB 3.45Å; F52-S55 PolarHBondContact O-N 3.16Å; F52-S55 PolarHBondContact O-OG 3.11Å; F52-M85 HydrophobicContact CB-CE 4Å; F52-M85 HydrophobicContact CB-CG 4.08Å; F52-M85 HydrophobicContact CB-SD 3.81Å; F52-M85 HydrophobicContact CD1-CE 3.34Å; F52-M85 HydrophobicContact CD1-SD 4.3Å; F52-M85 HydrophobicContact CD2-CB 4.38Å; F52-M85 HydrophobicContact CD2-CE 4.14Å; F52-M85 HydrophobicContact CD2-CG 3.73Å; F52-M85 HydrophobicContact CD2-SD 4.38Å; F52-M85 HydrophobicContact CE1-CE 3.73Å; F52-M85 HydrophobicContact CE2-CB 4.46Å; F52-M85 HydrophobicContact CE2-CE 4.46Å; F52-M85 HydrophobicContact CE2-CG 4.29Å; F52-M85 HydrophobicContact CG-CE 3.54Å; F52-M85 HydrophobicContact CG-CG 3.89Å; F52-M85 HydrophobicContact CG-SD 3.91Å; F52-M85 HydrophobicContact CZ-CE 4.26Å; F52-F116 HydrophobicContact CE2-CE1 4.36Å; F52-F116 HydrophobicContact CE2-CZ 4Å; F52-N120 HydrophobicContact CE2-CB 4.38Å; F52-N120 HydrophobicContact CZ-CB 3.78Å; F52-N120 WeakPolarHBondContact CZ-OD1 3.36Å
53P93Very high94.4Very high89 Ų8932.4 Ų32.458%0.57817%0.173SC*.THydrogen-bonded Turntrans-52.6128.7-179.2-29.535.7000112.3D49 S55D49-P53 VanDerWaalsContact O-CA 3.23Å; D49-P53 WeakPolarHBondContact O-CA 3.47Å; D49-P53 WeakPolarHBondContact O-CD 3.45Å; D49-P53 WeakPolarHBondContact O-CG 3.48Å; D49-P53 VanDerWaalsContact O-N 3.09Å; P53-S55 VanDerWaalsContact C-N 3.28Å; P53-S55 PolarHBondContact O-N 2.96Å
54G90.9Very high93.9Very high58 Ų5839.9 Ų39.960%0.59821%0.213SC*.THydrogen-bonded Turntrans80.2-2.5-177.600000115.8D49 F52 V56D49-G54 PolarHBondContact OD1-N 3.47Å; D49-G54 VanDerWaalsContact OD1-N 3.17Å; F52-G54 PolarHBondContact O-N 2.9Å; G54-V56 PolarHBondContact O-N 3.35Å
55S93.4Very high93.4Very high6 Ų640.4 Ų40.44%0.04222%0.216CC..SBendtrans-62.5-35.7172.165.40000111.5M48 F52 P53 R84M48-S55 PolarHBondContact O-OG 3.28Å; M48-S55 VanDerWaalsContact O-OG 3.1Å; F52-S55 WeakPolarHBondContact O-CB 3.45Å; F52-S55 PolarHBondContact O-N 3.16Å; F52-S55 PolarHBondContact O-OG 3.11Å; P53-S55 VanDerWaalsContact C-N 3.28Å; P53-S55 PolarHBondContact O-N 2.96Å; S55-R84 VanDerWaalsContact O-CD 3.24Å; S55-R84 WeakPolarHBondContact O-CD 3.2Å; S55-R84 PolarHBondContact O-NH1 3.37Å
56V94.2Very high93.1Very high4 Ų449.1 Ų49.12%0.02425%0.254CS..SBendtrans-116.3130.2-177.7174.30000110.6C45 M48 G54 L58 V61 V77C45-V56 HydrophobicContact CB-CG1 3.99Å; M48-V56 HydrophobicContact CB-CB 4.43Å; M48-V56 HydrophobicContact CB-CG2 3.5Å; M48-V56 VanDerWaalsContact CB-CG2 3.5Å; M48-V56 HydrophobicContact CG-CG2 4.25Å; G54-V56 PolarHBondContact O-N 3.35Å; V56-L58 VanDerWaalsContact C-N 3.34Å; V56-L58 HydrophobicContact CG1-CD2 4.31Å; V56-L58 PolarHBondContact O-N 2.87Å; V56-V61 HydrophobicContact CG1-CG2 4.38Å; V56-V77 HydrophobicContact CG1-CG1 3.37Å
57P94.1Very high92.9Very high35 Ų3553 Ų5323%0.22728%0.275CS..  trans-74.783.2174.531.8-36.2000110.9K59 K60 V77P57-K59 PolarHBondContact O-N 3.06Å; P57-K60 HydrophobicContact CB-CD 4.28Å; P57-K60 HydrophobicContact CB-CG 4.24Å; P57-K60 HydrophobicContact CG-CB 4.41Å; P57-K60 HydrophobicContact CG-CD 3.91Å; P57-K60 HydrophobicContact CG-CG 4.27Å; P57-K60 WeakPolarHBondContact O-CB 3.4Å; P57-K60 PolarHBondContact O-N 3.43Å; P57-V77 HydrophobicContact CG-CG1 4.14Å
58L93Very high92.7Very high19 Ų1957.7 Ų57.710%0.09930%0.299CS..G310 helixtrans-51.7-29.3-176.3-69.2-175.5000114.6D49 V56 K60 V61 W63 A131 A135D49-L58 HydrophobicContact CB-CD1 3.86Å; D49-L58 HydrophobicContact CB-CD2 3.9Å; D49-L58 HydrophobicContact CB-CG 4Å; D49-L58 WeakPolarHBondContact OD2-CD1 3.46Å; V56-L58 VanDerWaalsContact C-N 3.34Å; V56-L58 HydrophobicContact CG1-CD2 4.31Å; V56-L58 PolarHBondContact O-N 2.87Å; L58-K60 PolarHBondContact O-N 3.26Å; L58-V61 HydrophobicContact CD2-CG2 4.39Å; L58-V61 WeakPolarHBondContact O-CB 3.47Å; L58-V61 PolarHBondContact O-N 3.28Å; L58-W63 HydrophobicContact CB-CZ2 4.4Å; L58-W63 HydrophobicContact CD2-CH2 4.09Å; L58-W63 HydrophobicContact CD2-CZ2 3.98Å; L58-A131 HydrophobicContact CD1-CB 3.86Å; L58-A135 HydrophobicContact CB-CB 3.86Å
59K92.7Very high92.6Very high155 Ų15562.9 Ų62.967%0.67432%0.324SS*.G310 helixtrans-61.6-21.5174.7-67.3-176.2176.9-179.50114.4P57 A135P57-K59 PolarHBondContact O-N 3.06Å; K59-A135 HydrophobicContact CG-CB 4.45Å
60K94.4Very high92.6Very high123 Ų12363.7 Ų63.754%0.53533%0.327SS..G310 helixtrans-87.8-14.2176.6-66.3-170.5179.2-1790112.6P57 L58 V77P57-K60 HydrophobicContact CB-CD 4.28Å; P57-K60 HydrophobicContact CB-CG 4.24Å; P57-K60 HydrophobicContact CG-CB 4.41Å; P57-K60 HydrophobicContact CG-CD 3.91Å; P57-K60 HydrophobicContact CG-CG 4.27Å; P57-K60 WeakPolarHBondContact O-CB 3.4Å; P57-K60 PolarHBondContact O-N 3.43Å; L58-K60 PolarHBondContact O-N 3.26Å; K60-V77 HydrophobicContact CB-CG2 3.95Å
61V95.5Very high92.8Very high6 Ų665 Ų654%0.03633%0.332CS..  trans-74.5132.5-177.4-1780000109.5A42 C45 V56 L58 W63 N74 V77A42-V61 HydrophobicContact CB-CG1 3.89Å; C45-V61 HydrophobicContact CB-CG1 4.2Å; C45-V61 HydrophobicContact CB-CG2 3.64Å; V56-V61 HydrophobicContact CG1-CG2 4.38Å; L58-V61 HydrophobicContact CD2-CG2 4.39Å; L58-V61 WeakPolarHBondContact O-CB 3.47Å; L58-V61 PolarHBondContact O-N 3.28Å; V61-W63 HydrophobicContact CB-CZ2 3.97Å; V61-W63 HydrophobicContact CG1-CD2 3.99Å; V61-W63 HydrophobicContact CG1-CE3 4.23Å; V61-W63 HydrophobicContact CG1-CH2 4.19Å; V61-W63 HydrophobicContact CG1-CZ2 3.95Å; V61-W63 HydrophobicContact CG1-CZ3 4.32Å; V61-W63 PolarHBondContact O-NE1 2.93Å; V61-N74 WeakPolarHBondContact CA-OD1 2.85Å; V61-V77 HydrophobicContact CG2-CG1 3.89Å
62K93.4Very high92.9Very high85 Ų8567.9 Ų67.937%0.3735%0.346SS..  trans-89.4107173.4-54.8-61.5-173.2170.70108.4T65 E70 N74K62-T65 HydrophobicContact CB-CG2 3.8Å; K62-T65 WeakPolarHBondContact O-CG2 3.32Å; K62-E70 HydrophobicContact CB-CB 4.47Å; K62-E70 HydrophobicContact CG-CB 4.21Å; K62-E70 HydrophobicContact CG-CG 4.43Å; K62-N74 PolarHBondContact N-OD1 3.46Å; K62-N74 PolarHBondContact O-ND2 2.82Å
63W91.2Very high93Very high36 Ų3670.6 Ų70.614%0.13636%0.36CS..SBendtrans-83.2-35.2-173.1-61.899.8000114A42 N46 L58 V61 V132A42-W63 HydrophobicContact CB-CE3 3.91Å; A42-W63 HydrophobicContact CB-CZ3 4.19Å; N46-W63 HydrophobicContact CB-CH2 3.86Å; N46-W63 HydrophobicContact CB-CZ3 3.97Å; L58-W63 HydrophobicContact CB-CZ2 4.4Å; L58-W63 HydrophobicContact CD2-CH2 4.09Å; L58-W63 HydrophobicContact CD2-CZ2 3.98Å; V61-W63 HydrophobicContact CB-CZ2 3.97Å; V61-W63 HydrophobicContact CG1-CD2 3.99Å; V61-W63 HydrophobicContact CG1-CE3 4.23Å; V61-W63 HydrophobicContact CG1-CH2 4.19Å; V61-W63 HydrophobicContact CG1-CZ2 3.95Å; V61-W63 HydrophobicContact CG1-CZ3 4.32Å; V61-W63 PolarHBondContact O-NE1 2.93Å; W63-V132 HydrophobicContact CB-CG1 4.35Å; W63-V132 HydrophobicContact CD2-CB 4.3Å; W63-V132 HydrophobicContact CD2-CG1 3.56Å; W63-V132 HydrophobicContact CD2-CG2 4.04Å; W63-V132 HydrophobicContact CE3-CB 4.42Å; W63-V132 HydrophobicContact CE3-CG1 3.91Å; W63-V132 HydrophobicContact CE3-CG2 3.71Å; W63-V132 HydrophobicContact CG-CG1 3.75Å; W63-V132 HydrophobicContact CH2-CB 4.41Å; W63-V132 HydrophobicContact CH2-CG2 3.43Å; W63-V132 VanDerWaalsContact CH2-CG2 3.43Å; W63-V132 HydrophobicContact CZ2-CB 4.28Å; W63-V132 HydrophobicContact CZ2-CG1 4.36Å; W63-V132 HydrophobicContact CZ2-CG2 3.77Å; W63-V132 HydrophobicContact CZ3-CB 4.48Å; W63-V132 HydrophobicContact CZ3-CG1 4.45Å; W63-V132 HydrophobicContact CZ3-CG2 3.4Å
64N86.3Confident93.2Very high158 Ų15866.4 Ų66.485%0.84533%0.332SS*.SBendtrans-115.138.2-175.7-66-27.9000111.9
65T87.7Confident93.4Very high12 Ų1263.6 Ų63.67%0.07430%0.304CS..  trans-82.5150-178.4174.50000112.3N40 K62 L67 E70 Y71N40-T65 HydrophobicContact CB-CG2 4.28Å; K62-T65 HydrophobicContact CB-CG2 3.8Å; K62-T65 WeakPolarHBondContact O-CG2 3.32Å; T65-L67 PolarHBondContact OG1-N 3.43Å; T65-E70 WeakPolarHBondContact CB-OE2 3.38Å; T65-E70 HydrophobicContact CG2-CB 4.24Å; T65-E70 WeakPolarHBondContact OG1-CB 3.2Å; T65-E70 PolarHBondContact OG1-OE2 3.45Å; T65-Y71 HydrophobicContact CG2-CD1 3.64Å; T65-Y71 HydrophobicContact CG2-CE1 3.65Å
66K89.3Confident93.5Very high182 Ų18269.3 Ų69.379%0.79133%0.327SS*.  trans-12912.9171.1-61.9-174.3178.7-177.30112.6Y71K66-Y71 WeakPolarHBondContact CA-OH 3.44Å
67L92Very high93.6Very high89 Ų8969.6 Ų69.647%0.46633%0.329SS..  trans-114.8126-170.3-58.2174.9000109.6T65 H69 E70 Y71T65-L67 PolarHBondContact OG1-N 3.43Å; L67-H69 PolarHBondContact O-N 3.4Å; L67-H69 VanDerWaalsContact O-N 3.1Å; L67-E70 HydrophobicContact CB-CB 4.41Å; L67-E70 HydrophobicContact CB-CG 4.18Å; L67-E70 WeakPolarHBondContact O-CA 3.42Å; L67-E70 WeakPolarHBondContact O-CB 3.37Å; L67-E70 PolarHBondContact O-N 2.93Å; L67-Y71 WeakPolarHBondContact O-CD1 3.38Å; L67-Y71 PolarHBondContact O-N 3.14Å; L67-Y71 VanDerWaalsContact O-N 3.14Å
68D92.3Very high93.7Very high98 Ų9868 Ų6852%0.52432%0.319SS..Hα-helixtrans-53.7-38.2-176.8-62.95.6000113E70 Y71 I72D68-E70 VanDerWaalsContact C-N 3.26Å; D68-E70 PolarHBondContact O-N 3.15Å; D68-Y71 WeakPolarHBondContact O-CB 3.44Å; D68-Y71 PolarHBondContact O-N 3.14Å; D68-Y71 VanDerWaalsContact O-N 3.15Å; D68-I72 WeakPolarHBondContact O-CG1 3.23Å; D68-I72 PolarHBondContact O-N 3.02Å
69H93.2Very high93.8Very high109 Ų10969.3 Ų69.351%0.50533%0.325SS..Hα-helixtrans-67.2-26.317972.2-94.4000113.3L67 Q73L67-H69 PolarHBondContact O-N 3.4Å; L67-H69 VanDerWaalsContact O-N 3.1Å; H69-Q73 WeakPolarHBondContact O-CG 3.42Å; H69-Q73 PolarHBondContact O-N 3.27Å
70E95.5Very high93.8Very high40 Ų4066 Ų6619%0.18731%0.311CS..Hα-helixtrans-80-31.6172.7-68-169.8125.200111.3K62 T65 L67 D68 I72 Q73 N74K62-E70 HydrophobicContact CB-CB 4.47Å; K62-E70 HydrophobicContact CG-CB 4.21Å; K62-E70 HydrophobicContact CG-CG 4.43Å; T65-E70 WeakPolarHBondContact CB-OE2 3.38Å; T65-E70 HydrophobicContact CG2-CB 4.24Å; T65-E70 WeakPolarHBondContact OG1-CB 3.2Å; T65-E70 PolarHBondContact OG1-OE2 3.45Å; L67-E70 HydrophobicContact CB-CB 4.41Å; L67-E70 HydrophobicContact CB-CG 4.18Å; L67-E70 WeakPolarHBondContact O-CA 3.42Å; L67-E70 WeakPolarHBondContact O-CB 3.37Å; L67-E70 PolarHBondContact O-N 2.93Å; D68-E70 VanDerWaalsContact C-N 3.26Å; D68-E70 PolarHBondContact O-N 3.15Å; E70-I72 VanDerWaalsContact C-N 3.31Å; E70-I72 PolarHBondContact O-N 3.34Å; E70-Q73 WeakPolarHBondContact O-CB 3.22Å; E70-Q73 PolarHBondContact O-N 3.41Å; E70-Q73 VanDerWaalsContact O-N 3.12Å; E70-N74 PolarHBondContact O-N 3.02Å
71Y97.6Very high93.8Very high32 Ų3260.1 Ų60.113%0.12529%0.286CS..Hα-helixtrans-61.9-42.8171.7-57.6-8000110.7N40 T65 K66 L67 D68 Q73 N74 F75 I99N40-Y71 HydrophobicContact CB-CD1 3.61Å; N40-Y71 HydrophobicContact CB-CE1 3.57Å; N40-Y71 HydrophobicContact CB-CG 4.19Å; T65-Y71 HydrophobicContact CG2-CD1 3.64Å; T65-Y71 HydrophobicContact CG2-CE1 3.65Å; K66-Y71 WeakPolarHBondContact CA-OH 3.44Å; L67-Y71 WeakPolarHBondContact O-CD1 3.38Å; L67-Y71 PolarHBondContact O-N 3.14Å; L67-Y71 VanDerWaalsContact O-N 3.14Å; D68-Y71 WeakPolarHBondContact O-CB 3.44Å; D68-Y71 PolarHBondContact O-N 3.14Å; D68-Y71 VanDerWaalsContact O-N 3.15Å; Y71-Q73 VanDerWaalsContact C-N 3.28Å; Y71-Q73 PolarHBondContact O-N 3.31Å; Y71-N74 PolarHBondContact O-N 2.92Å; Y71-F75 WeakPolarHBondContact O-CD2 3.46Å; Y71-F75 PolarHBondContact O-N 3.49Å; Y71-I99 HydrophobicContact CD2-CB 4.46Å
72I96.2Very high93.8Very high60 Ų6059.9 Ų59.931%0.30828%0.284SS..Hα-helixtrans-57.5-42.3173.1-64.8169.4000110.7D68 E70 F75 K76 V95 I99D68-I72 WeakPolarHBondContact O-CG1 3.23Å; D68-I72 PolarHBondContact O-N 3.02Å; E70-I72 VanDerWaalsContact C-N 3.31Å; E70-I72 PolarHBondContact O-N 3.34Å; I72-F75 PolarHBondContact O-N 3.19Å; I72-K76 HydrophobicContact CG2-CG 4.4Å; I72-K76 WeakPolarHBondContact O-CG 3.39Å; I72-K76 PolarHBondContact O-N 3.17Å; I72-V95 HydrophobicContact CG1-CG1 4.46Å; I72-I99 HydrophobicContact CD1-CD1 3.74Å; I72-I99 HydrophobicContact CG1-CD1 3.56Å; I72-I99 HydrophobicContact CG1-CG2 4.17Å
73Q96.4Very high93.7Very high87 Ų8763.3 Ų63.341%0.40730%0.299SS..Hα-helixtrans-62.6-44.1177.4-69.8171.911.800111.8H69 E70 Y71 K76 V77H69-Q73 WeakPolarHBondContact O-CG 3.42Å; H69-Q73 PolarHBondContact O-N 3.27Å; E70-Q73 WeakPolarHBondContact O-CB 3.22Å; E70-Q73 PolarHBondContact O-N 3.41Å; E70-Q73 VanDerWaalsContact O-N 3.12Å; Y71-Q73 VanDerWaalsContact C-N 3.28Å; Y71-Q73 PolarHBondContact O-N 3.31Å; Q73-K76 WeakPolarHBondContact O-CB 3.4Å; Q73-K76 PolarHBondContact O-N 3.15Å; Q73-V77 WeakPolarHBondContact O-CG2 3.39Å; Q73-V77 PolarHBondContact O-N 2.85Å
74N97.4Very high93.8Very high0 Ų067.8 Ų67.80%032%0.316CS..Hα-helixtrans-61.1-44.5175.4-75.6-10.8000111.7N40 C45 V61 K62 E70 Y71 K76 V77 L78N40-N74 WeakPolarHBondContact O-CB 3.5Å; N40-N74 PolarHBondContact O-ND2 3.48Å; C45-N74 PolarHBondContact SG-O 2.9Å; V61-N74 WeakPolarHBondContact CA-OD1 2.85Å; K62-N74 PolarHBondContact N-OD1 3.46Å; K62-N74 PolarHBondContact O-ND2 2.82Å; E70-N74 PolarHBondContact O-N 3.02Å; Y71-N74 PolarHBondContact O-N 2.92Å; N74-K76 VanDerWaalsContact C-N 3.33Å; N74-K76 PolarHBondContact O-N 3.27Å; N74-V77 WeakPolarHBondContact O-CB 3.35Å; N74-V77 PolarHBondContact O-N 3.28Å; N74-V77 VanDerWaalsContact O-N 3.15Å; N74-L78 PolarHBondContact O-N 2.91Å
75F96.7Very high94Very high0 Ų061.8 Ų61.80%028%0.284CS..Hα-helixtrans-66.5-32.4176.2-80.9-63.2000113.4C39 Y44 Y71 I72 V77 L78 Q79 V93 V95 L98 I99C39-F75 WeakPolarHBondContact O-CE2 3.4Å; Y44-F75 AromaticContact CD2-CE1 3.92Å; Y44-F75 HydrophobicContact CD2-CE1 3.92Å; Y44-F75 HydrophobicContact CD2-CZ 4.36Å; Y44-F75 HydrophobicContact CE2-CE1 4.24Å; Y44-F75 HydrophobicContact CE2-CZ 4.38Å; Y71-F75 WeakPolarHBondContact O-CD2 3.46Å; Y71-F75 PolarHBondContact O-N 3.49Å; I72-F75 PolarHBondContact O-N 3.19Å; F75-V77 VanDerWaalsContact C-N 3.32Å; F75-L78 HydrophobicContact CD1-CD2 3.88Å; F75-L78 HydrophobicContact CE1-CD2 4.17Å; F75-L78 WeakPolarHBondContact O-CB 3.16Å; F75-L78 PolarHBondContact O-N 2.97Å; F75-Q79 WeakPolarHBondContact O-CB 3.39Å; F75-Q79 VanDerWaalsContact O-CG 3.31Å; F75-Q79 WeakPolarHBondContact O-CG 3.11Å; F75-Q79 PolarHBondContact O-N 3.42Å; F75-V93 HydrophobicContact CD1-CG1 3.78Å; F75-V93 HydrophobicContact CE1-CG1 4.21Å; F75-V95 HydrophobicContact CB-CB 4.41Å; F75-V95 HydrophobicContact CB-CG1 3.78Å; F75-V95 HydrophobicContact CB-CG2 3.81Å; F75-V95 HydrophobicContact CD2-CG1 4.08Å; F75-V95 HydrophobicContact CG-CG1 4.15Å; F75-V95 HydrophobicContact CG-CG2 4.29Å; F75-L98 HydrophobicContact CD1-CD1 4.33Å; F75-L98 HydrophobicContact CE1-CB 4.44Å; F75-L98 HydrophobicContact CE1-CD1 3.56Å; F75-L98 HydrophobicContact CE2-CB 3.84Å; F75-L98 HydrophobicContact CE2-CD1 4.43Å; F75-L98 HydrophobicContact CZ-CB 3.67Å; F75-L98 HydrophobicContact CZ-CD1 3.63Å; F75-L98 HydrophobicContact CZ-CG 4.27Å; F75-I99 HydrophobicContact CD2-CG2 3.68Å; F75-I99 HydrophobicContact CE2-CG2 3.81Å
76K95.1Very high94.1Very high125 Ų12565.5 Ų65.554%0.54330%0.303SS..Hα-helixtrans-62.6-41.9170.9-69.8-118.6178.8-179.50111.4I72 Q73 N74 L78 Q79 E80I72-K76 HydrophobicContact CG2-CG 4.4Å; I72-K76 WeakPolarHBondContact O-CG 3.39Å; I72-K76 PolarHBondContact O-N 3.17Å; Q73-K76 WeakPolarHBondContact O-CB 3.4Å; Q73-K76 PolarHBondContact O-N 3.15Å; N74-K76 VanDerWaalsContact C-N 3.33Å; N74-K76 PolarHBondContact O-N 3.27Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.49Å; K76-Q79 PolarHBondContact O-N 3.17Å; K76-E80 WeakPolarHBondContact O-CG 3.16Å; K76-E80 PolarHBondContact O-N 3.48Å
77V96.3Very high94Very high11 Ų1157.1 Ų57.17%0.06727%0.267CS..Hα-helixtrans-62.4-40.2175.3168.40000111V56 P57 K60 V61 Q73 N74 F75 E80 G81V56-V77 HydrophobicContact CG1-CG1 3.37Å; P57-V77 HydrophobicContact CG-CG1 4.14Å; K60-V77 HydrophobicContact CB-CG2 3.95Å; V61-V77 HydrophobicContact CG2-CG1 3.89Å; Q73-V77 WeakPolarHBondContact O-CG2 3.39Å; Q73-V77 PolarHBondContact O-N 2.85Å; N74-V77 WeakPolarHBondContact O-CB 3.35Å; N74-V77 PolarHBondContact O-N 3.28Å; N74-V77 VanDerWaalsContact O-N 3.15Å; F75-V77 VanDerWaalsContact C-N 3.32Å; V77-E80 PolarHBondContact O-N 3.27Å; V77-G81 PolarHBondContact O-N 3.36Å; V77-G81 VanDerWaalsContact O-N 3.14Å
78L96.1Very high93.1Very high0 Ų056.7 Ų56.70%027%0.265CS..Hα-helixtrans-62.4-48.7172.6179.565.2000112.3Y44 M48 N74 F75 K76 E80 G81 F82 V93 F109Y44-L78 HydrophobicContact CD2-CD2 4.46Å; Y44-L78 HydrophobicContact CG-CD2 4.22Å; M48-L78 HydrophobicContact CB-CD1 4.46Å; M48-L78 HydrophobicContact CG-CD1 3.5Å; M48-L78 VanDerWaalsContact CG-CD1 3.5Å; N74-L78 PolarHBondContact O-N 2.91Å; F75-L78 HydrophobicContact CD1-CD2 3.88Å; F75-L78 HydrophobicContact CE1-CD2 4.17Å; F75-L78 WeakPolarHBondContact O-CB 3.16Å; F75-L78 PolarHBondContact O-N 2.97Å; K76-L78 VanDerWaalsContact C-N 3.32Å; K76-L78 PolarHBondContact O-N 3.49Å; L78-E80 VanDerWaalsContact C-N 3.29Å; L78-E80 PolarHBondContact O-N 2.91Å; L78-G81 WeakPolarHBondContact O-CA 3.14Å; L78-G81 PolarHBondContact O-N 3.34Å; L78-F82 HydrophobicContact CD1-CE1 4.12Å; L78-F82 HydrophobicContact CD1-CE2 4.41Å; L78-F82 HydrophobicContact CD1-CZ 4.04Å; L78-F82 HydrophobicContact CD2-CE2 4.29Å; L78-F82 HydrophobicContact CD2-CZ 4.44Å; L78-F82 HydrophobicContact CG-CD2 4.44Å; L78-F82 HydrophobicContact CG-CE2 4.13Å; L78-F82 HydrophobicContact CG-CZ 4.25Å; L78-F82 PolarHBondContact O-N 3.04Å; L78-V93 HydrophobicContact CD2-CG1 4.49Å; L78-F109 HydrophobicContact CD2-CE1 4.49Å; L78-F109 HydrophobicContact CD2-CZ 4.31Å
79Q94.7Very high91.8Very high48 Ų4859.4 Ų59.422%0.22427%0.272CS..Hα-helixtrans-59.4-38.8178.2-75.1177.7-33.800112F75 K76 G81 F82 K83 V90 V93F75-Q79 WeakPolarHBondContact O-CB 3.39Å; F75-Q79 VanDerWaalsContact O-CG 3.31Å; F75-Q79 WeakPolarHBondContact O-CG 3.11Å; F75-Q79 PolarHBondContact O-N 3.42Å; K76-Q79 PolarHBondContact O-N 3.17Å; Q79-G81 VanDerWaalsContact C-N 3.34Å; Q79-F82 PolarHBondContact O-N 2.85Å; Q79-K83 WeakPolarHBondContact O-CB 3.49Å; Q79-K83 PolarHBondContact O-N 3.2Å; Q79-V90 HydrophobicContact CB-CG1 3.81Å; Q79-V90 HydrophobicContact CG-CG1 3.83Å; Q79-V93 HydrophobicContact CG-CB 4.38Å; Q79-V93 HydrophobicContact CG-CG2 4.45Å
80E93.3Very high90.3Very high85 Ų8556.2 Ų56.240%0.39726%0.26SS..Hα-helixtrans-61.8-40.9172.2-75.8-177.3-17300111.9K76 V77 L78 K83 R84K76-E80 WeakPolarHBondContact O-CG 3.16Å; K76-E80 PolarHBondContact O-N 3.48Å; V77-E80 PolarHBondContact O-N 3.27Å; L78-E80 VanDerWaalsContact C-N 3.29Å; L78-E80 PolarHBondContact O-N 2.91Å; E80-K83 PolarHBondContact O-N 3.47Å; E80-R84 WeakPolarHBondContact O-CG 3.15Å; E80-R84 PolarHBondContact O-N 3.49Å
81G94.5Very high88.9Confident0 Ų061.4 Ų61.40%029%0.29CS..Hα-helixtrans-61.8-47.5174.800000112.6V77 L78 Q79 K83 R84 M85V77-G81 PolarHBondContact O-N 3.36Å; V77-G81 VanDerWaalsContact O-N 3.14Å; L78-G81 WeakPolarHBondContact O-CA 3.14Å; L78-G81 PolarHBondContact O-N 3.34Å; Q79-G81 VanDerWaalsContact C-N 3.34Å; G81-K83 VanDerWaalsContact C-N 3.34Å; G81-K83 PolarHBondContact O-N 3.15Å; G81-R84 PolarHBondContact O-N 3.12Å; G81-M85 WeakPolarHBondContact O-CG 3.46Å; G81-M85 PolarHBondContact O-N 3.48Å; G81-M85 VanDerWaalsContact O-N 3.12Å
82F94.1Very high87.8Confident0 Ų062.5 Ų62.50%030%0.297CS..Hα-helixtrans-58.2-44.4174.4-77.1-12.9000112.4M48 L78 Q79 R84 M85 N86 V87 V93 F109 W112 F113 F116M48-F82 HydrophobicContact CE-CD1 3.62Å; M48-F82 HydrophobicContact CE-CE1 4.06Å; M48-F82 HydrophobicContact CG-CD1 4.37Å; M48-F82 HydrophobicContact CG-CE1 4.01Å; M48-F82 HydrophobicContact SD-CD1 3.63Å; M48-F82 HydrophobicContact SD-CE1 3.39Å; M48-F82 WeakPolarHBondContact SD-CE1 3.44Å; L78-F82 HydrophobicContact CD1-CE1 4.12Å; L78-F82 HydrophobicContact CD1-CE2 4.41Å; L78-F82 HydrophobicContact CD1-CZ 4.04Å; L78-F82 HydrophobicContact CD2-CE2 4.29Å; L78-F82 HydrophobicContact CD2-CZ 4.44Å; L78-F82 HydrophobicContact CG-CD2 4.44Å; L78-F82 HydrophobicContact CG-CE2 4.13Å; L78-F82 HydrophobicContact CG-CZ 4.25Å; L78-F82 PolarHBondContact O-N 3.04Å; Q79-F82 PolarHBondContact O-N 2.85Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 3.35Å; F82-M85 PolarHBondContact O-N 3.14Å; F82-N86 PolarHBondContact O-N 3.49Å; F82-V87 HydrophobicContact CB-CB 3.91Å; F82-V87 HydrophobicContact CB-CG2 4.12Å; F82-V87 HydrophobicContact CD1-CB 4.26Å; F82-V87 HydrophobicContact CD1-CG1 4.46Å; F82-V87 HydrophobicContact CD1-CG2 3.77Å; F82-V87 HydrophobicContact CG-CB 4.14Å; F82-V87 HydrophobicContact CG-CG1 4.36Å; F82-V87 HydrophobicContact CG-CG2 4.15Å; F82-V87 PolarHBondContact O-N 3.05Å; F82-V93 HydrophobicContact CD2-CG2 3.69Å; F82-V93 HydrophobicContact CE2-CG2 3.43Å; F82-V93 VanDerWaalsContact CE2-CG2 3.43Å; F82-F109 HydrophobicContact CE2-CZ 4.4Å; F82-W112 HydrophobicContact CE2-CH2 4.15Å; F82-W112 HydrophobicContact CE2-CZ3 4.11Å; F82-W112 HydrophobicContact CZ-CH2 4.04Å; F82-W112 AromaticContact CZ-CZ3 3.92Å; F82-W112 HydrophobicContact CZ-CZ3 3.92Å; F82-F113 HydrophobicContact CE1-CE2 4.2Å; F82-F113 HydrophobicContact CZ-CD2 4.12Å; F82-F113 AromaticContact CZ-CE2 3.85Å; F82-F113 HydrophobicContact CZ-CE2 3.85Å; F82-F116 AromaticContact CE1-CE1 3.96Å; F82-F116 HydrophobicContact CE1-CE1 3.96Å; F82-F116 HydrophobicContact CE1-CZ 4.28Å
83K92.1Very high87.2Confident157 Ų15759.9 Ų59.968%0.68328%0.284SS*.Hα-helixtrans-61.1-40.2176.4-172.2178.6-179.4178.20112.4Q79 E80 G81 M85 N86 V90Q79-K83 WeakPolarHBondContact O-CB 3.49Å; Q79-K83 PolarHBondContact O-N 3.2Å; E80-K83 PolarHBondContact O-N 3.47Å; G81-K83 VanDerWaalsContact C-N 3.34Å; G81-K83 PolarHBondContact O-N 3.15Å; K83-M85 VanDerWaalsContact C-N 3.31Å; K83-M85 PolarHBondContact O-N 2.99Å; K83-N86 PolarHBondContact O-N 3.25Å; K83-N86 PolarHBondContact O-OD1 2.96Å; K83-V90 HydrophobicContact CB-CG2 4.36Å
84R92.8Very high86.9Confident130 Ų13058 Ų5849%0.49128%0.279SS..Hα-helixtrans-67.2-31.2178-73172-171.1-178.52.7113.1S55 E80 G81 F82 N86S55-R84 VanDerWaalsContact O-CD 3.24Å; S55-R84 WeakPolarHBondContact O-CD 3.2Å; S55-R84 PolarHBondContact O-NH1 3.37Å; E80-R84 WeakPolarHBondContact O-CG 3.15Å; E80-R84 PolarHBondContact O-N 3.49Å; G81-R84 PolarHBondContact O-N 3.12Å; F82-R84 VanDerWaalsContact C-N 3.34Å; F82-R84 PolarHBondContact O-N 3.35Å; R84-N86 VanDerWaalsContact C-N 3.34Å
85M91.7Very high86.8Confident33 Ų3358.8 Ų58.816%0.16328%0.284CS..THydrogen-bonded Turntrans-92.24.5-179-61.8-51.2-52.700113.7A2 M48 F52 G81 F82 K83 V87A2-M85 HydrophobicContact CB-CB 4.12Å; A2-M85 PolarHBondContact N-O 3.24Å; M48-M85 HydrophobicContact CE-CG 4.11Å; F52-M85 HydrophobicContact CB-CE 4Å; F52-M85 HydrophobicContact CB-CG 4.08Å; F52-M85 HydrophobicContact CB-SD 3.81Å; F52-M85 HydrophobicContact CD1-CE 3.34Å; F52-M85 HydrophobicContact CD1-SD 4.3Å; F52-M85 HydrophobicContact CD2-CB 4.38Å; F52-M85 HydrophobicContact CD2-CE 4.14Å; F52-M85 HydrophobicContact CD2-CG 3.73Å; F52-M85 HydrophobicContact CD2-SD 4.38Å; F52-M85 HydrophobicContact CE1-CE 3.73Å; F52-M85 HydrophobicContact CE2-CB 4.46Å; F52-M85 HydrophobicContact CE2-CE 4.46Å; F52-M85 HydrophobicContact CE2-CG 4.29Å; F52-M85 HydrophobicContact CG-CE 3.54Å; F52-M85 HydrophobicContact CG-CG 3.89Å; F52-M85 HydrophobicContact CG-SD 3.91Å; F52-M85 HydrophobicContact CZ-CE 4.26Å; G81-M85 WeakPolarHBondContact O-CG 3.46Å; G81-M85 PolarHBondContact O-N 3.48Å; G81-M85 VanDerWaalsContact O-N 3.12Å; F82-M85 PolarHBondContact O-N 3.14Å; K83-M85 VanDerWaalsContact C-N 3.31Å; K83-M85 PolarHBondContact O-N 2.99Å; M85-V87 VanDerWaalsContact C-N 3.29Å; M85-V87 HydrophobicContact CB-CG2 4.28Å; M85-V87 PolarHBondContact O-N 3.14Å
86N89Confident86.6Confident90 Ų9064.5 Ų64.548%0.48131%0.314SS..THydrogen-bonded Turntrans55.342.8-175-6313.1000112.5N4 F82 K83 R84 D88N4-N86 PolarHBondContact ND2-O 2.85Å; F82-N86 PolarHBondContact O-N 3.49Å; K83-N86 PolarHBondContact O-N 3.25Å; K83-N86 PolarHBondContact O-OD1 2.96Å; R84-N86 VanDerWaalsContact C-N 3.34Å; N86-D88 PolarHBondContact O-N 2.88Å
87V86.5Confident86.6Confident6 Ų663.9 Ų63.94%0.03631%0.312CS..  trans-70118.4168.9-176.90000107.8A2 N4 F82 M85 W112 F116A2-V87 HydrophobicContact CB-CG2 3.85Å; N4-V87 WeakPolarHBondContact OD1-CA 3.47Å; F82-V87 HydrophobicContact CB-CB 3.91Å; F82-V87 HydrophobicContact CB-CG2 4.12Å; F82-V87 HydrophobicContact CD1-CB 4.26Å; F82-V87 HydrophobicContact CD1-CG1 4.46Å; F82-V87 HydrophobicContact CD1-CG2 3.77Å; F82-V87 HydrophobicContact CG-CB 4.14Å; F82-V87 HydrophobicContact CG-CG1 4.36Å; F82-V87 HydrophobicContact CG-CG2 4.15Å; F82-V87 PolarHBondContact O-N 3.05Å; M85-V87 VanDerWaalsContact C-N 3.29Å; M85-V87 HydrophobicContact CB-CG2 4.28Å; M85-V87 PolarHBondContact O-N 3.14Å; V87-W112 HydrophobicContact CG1-CH2 4.22Å; V87-W112 HydrophobicContact CG1-CZ2 4.4Å; V87-F116 HydrophobicContact CG1-CE2 4.07Å; V87-F116 HydrophobicContact CG2-CE2 3.69Å; V87-F116 HydrophobicContact CG2-CZ 3.61Å
88D73.3Confident86.6Confident80 Ų8063.4 Ų63.443%0.42831%0.309SS..SBendtrans-62.7142-177.1-72.7-35000110.2N4 Y6 N86N4-D88 HydrophobicContact CB-CB 4.41Å; N4-D88 PolarHBondContact ND2-N 3.49Å; N4-D88 PolarHBondContact ND2-OD2 3.2Å; N4-D88 PolarHBondContact OD1-N 2.8Å; Y6-D88 PolarHBondContact OH-OD2 3.45Å; N86-D88 PolarHBondContact O-N 2.88Å
89K64.8Low86.6Confident154 Ų15464.3 Ų64.367%0.6731%0.313SS*.  trans50.977.1-178.3-59-175.1-180-176.40112.6D91 I92K89-D91 PolarHBondContact O-N 3.05Å; K89-I92 VanDerWaalsContact O-CB 3.22Å; K89-I92 WeakPolarHBondContact O-CB 3.5Å; K89-I92 VanDerWaalsContact O-CG2 3.24Å; K89-I92 WeakPolarHBondContact O-CG2 3.41Å; K89-I92 PolarHBondContact O-N 3.2Å
90V61.6Low86.6Confident43 Ų4368.8 Ų68.826%0.26133%0.332SS..G310 helixtrans-51.4-23.1168.5179.70000112.3Q79 K83 I92 V93Q79-V90 HydrophobicContact CB-CG1 3.81Å; Q79-V90 HydrophobicContact CG-CG1 3.83Å; K83-V90 HydrophobicContact CB-CG2 4.36Å; V90-I92 PolarHBondContact O-N 3.2Å; V90-I92 VanDerWaalsContact O-N 3.09Å; V90-V93 PolarHBondContact O-N 2.79Å
91D67.7Low86.6Confident149 Ų14966 Ų6680%0.79733%0.326SS*.G310 helixtrans-61.3-8.2170.7-54.2-43.9000114.5K89 V93K89-D91 PolarHBondContact O-N 3.05Å; D91-V93 PolarHBondContact O-N 2.85Å
92I73.2Confident86.6Confident54 Ų5471.8 Ų71.828%0.27735%0.351SS..G310 helixtrans-67.9-13.8174.1-158.6145.7000113.2K89 V90 P94 W112K89-I92 VanDerWaalsContact O-CB 3.22Å; K89-I92 WeakPolarHBondContact O-CB 3.5Å; K89-I92 VanDerWaalsContact O-CG2 3.24Å; K89-I92 WeakPolarHBondContact O-CG2 3.41Å; K89-I92 PolarHBondContact O-N 3.2Å; V90-I92 PolarHBondContact O-N 3.2Å; V90-I92 VanDerWaalsContact O-N 3.09Å; I92-P94 WeakPolarHBondContact O-CD 3.44Å; I92-W112 HydrophobicContact CD1-CD2 3.97Å; I92-W112 HydrophobicContact CD1-CG 4.28Å; I92-W112 HydrophobicContact CD1-CZ2 3.67Å; I92-W112 HydrophobicContact CG1-CD2 4.15Å; I92-W112 HydrophobicContact CG1-CZ2 4.17Å; I92-W112 HydrophobicContact CG2-CH2 3.71Å; I92-W112 HydrophobicContact CG2-CZ2 3.93Å; I92-W112 HydrophobicContact CG2-CZ3 4.13Å
93V84.6Confident86.6Confident6 Ų675.2 Ų75.24%0.03637%0.366CS..SBendtrans-94.198173.9-1700000108.8F75 L78 Q79 F82 V90 D91 V95 L98 F109F75-V93 HydrophobicContact CD1-CG1 3.78Å; F75-V93 HydrophobicContact CE1-CG1 4.21Å; L78-V93 HydrophobicContact CD2-CG1 4.49Å; Q79-V93 HydrophobicContact CG-CB 4.38Å; Q79-V93 HydrophobicContact CG-CG2 4.45Å; F82-V93 HydrophobicContact CD2-CG2 3.69Å; F82-V93 HydrophobicContact CE2-CG2 3.43Å; F82-V93 VanDerWaalsContact CE2-CG2 3.43Å; V90-V93 PolarHBondContact O-N 2.79Å; D91-V93 PolarHBondContact O-N 2.85Å; V93-V95 HydrophobicContact CB-CG2 4.42Å; V93-V95 HydrophobicContact CG1-CG2 3.82Å; V93-V95 PolarHBondContact O-N 2.98Å; V93-L98 HydrophobicContact CG1-CD1 3.89Å; V93-F109 HydrophobicContact CB-CE2 4.29Å; V93-F109 HydrophobicContact CB-CZ 4.45Å; V93-F109 HydrophobicContact CG1-CE2 4.33Å; V93-F109 HydrophobicContact CG1-CZ 4.12Å; V93-F109 HydrophobicContact CG2-CE2 3.89Å; V93-F109 HydrophobicContact CG2-CZ 3.91Å
94P90.3Very high86.6Confident46 Ų4674.6 Ų74.630%0.29937%0.366SS..  trans-77.969.4178.633.2-37.2000110.7I92 D96 K97 L98I92-P94 WeakPolarHBondContact O-CD 3.44Å; P94-D96 VanDerWaalsContact C-N 3.3Å; P94-D96 PolarHBondContact O-N 2.86Å; P94-K97 HydrophobicContact CB-CB 4.16Å; P94-K97 HydrophobicContact CB-CD 4.16Å; P94-K97 HydrophobicContact CB-CG 4.18Å; P94-K97 WeakPolarHBondContact O-CA 3.46Å; P94-K97 WeakPolarHBondContact O-CB 3.42Å; P94-K97 PolarHBondContact O-N 3.03Å; P94-L98 HydrophobicContact CG-CD1 4.38Å; P94-L98 HydrophobicContact CG-CD2 4.43Å; P94-L98 HydrophobicContact CG-CG 4.09Å; P94-L98 WeakPolarHBondContact O-CG 3.36Å; P94-L98 PolarHBondContact O-N 3.09Å
95V93.7Very high86.7Confident18 Ų1869.8 Ų69.811%0.10935%0.35CS..Hα-helixtrans-48.8-49.7-172.6-178.20000111.9I72 F75 V93 K97 L98 I99I72-V95 HydrophobicContact CG1-CG1 4.46Å; F75-V95 HydrophobicContact CB-CB 4.41Å; F75-V95 HydrophobicContact CB-CG1 3.78Å; F75-V95 HydrophobicContact CB-CG2 3.81Å; F75-V95 HydrophobicContact CD2-CG1 4.08Å; F75-V95 HydrophobicContact CG-CG1 4.15Å; F75-V95 HydrophobicContact CG-CG2 4.29Å; V93-V95 HydrophobicContact CB-CG2 4.42Å; V93-V95 HydrophobicContact CG1-CG2 3.82Å; V93-V95 PolarHBondContact O-N 2.98Å; V95-K97 PolarHBondContact O-N 3.04Å; V95-K97 VanDerWaalsContact O-N 3.11Å; V95-L98 PolarHBondContact O-N 3.4Å; V95-L98 VanDerWaalsContact O-N 3.16Å; V95-I99 HydrophobicContact CG1-CG2 4.05Å; V95-I99 WeakPolarHBondContact O-CG1 3.34Å; V95-I99 WeakPolarHBondContact O-CG2 3.33Å; V95-I99 PolarHBondContact O-N 3.42Å
96D94Very high86.9Confident120 Ų12068.2 Ų68.264%0.64234%0.342SS*.Hα-helixtrans-61.4-22.5-178.8-62.2-44000114P94 K100P94-D96 VanDerWaalsContact C-N 3.3Å; P94-D96 PolarHBondContact O-N 2.86Å; D96-K100 WeakPolarHBondContact O-CD 3.35Å; D96-K100 WeakPolarHBondContact O-CE 3.4Å; D96-K100 WeakPolarHBondContact O-CG 3.22Å
97K94.4Very high87.2Confident112 Ų11265.8 Ų65.849%0.48733%0.327SS..Hα-helixtrans-89.8-43.5175.1-57.2-168.6-175.7179.20111.3P94 V95 K100 D105P94-K97 HydrophobicContact CB-CB 4.16Å; P94-K97 HydrophobicContact CB-CD 4.16Å; P94-K97 HydrophobicContact CB-CG 4.18Å; P94-K97 WeakPolarHBondContact O-CA 3.46Å; P94-K97 WeakPolarHBondContact O-CB 3.42Å; P94-K97 PolarHBondContact O-N 3.03Å; V95-K97 PolarHBondContact O-N 3.04Å; V95-K97 VanDerWaalsContact O-N 3.11Å; K97-K100 WeakPolarHBondContact O-CB 3.19Å; K97-K100 PolarHBondContact O-N 3.27Å; K97-D105 HydrophobicContact CB-CB 4.01Å; K97-D105 VanDerWaalsContact CD-OD1 3.29Å; K97-D105 WeakPolarHBondContact CD-OD1 3.35Å
98L95.9Very high87.4Confident0 Ų071.4 Ų71.40%035%0.353CS..Hα-helixtrans-61.6-48.2-177.2-65.7176.3000111.8C39 F75 V93 P94 V95 K100 G101 D105 N106 F109C39-L98 WeakPolarHBondContact CB-O 3.28Å; F75-L98 HydrophobicContact CD1-CD1 4.33Å; F75-L98 HydrophobicContact CE1-CB 4.44Å; F75-L98 HydrophobicContact CE1-CD1 3.56Å; F75-L98 HydrophobicContact CE2-CB 3.84Å; F75-L98 HydrophobicContact CE2-CD1 4.43Å; F75-L98 HydrophobicContact CZ-CB 3.67Å; F75-L98 HydrophobicContact CZ-CD1 3.63Å; F75-L98 HydrophobicContact CZ-CG 4.27Å; V93-L98 HydrophobicContact CG1-CD1 3.89Å; P94-L98 HydrophobicContact CG-CD1 4.38Å; P94-L98 HydrophobicContact CG-CD2 4.43Å; P94-L98 HydrophobicContact CG-CG 4.09Å; P94-L98 WeakPolarHBondContact O-CG 3.36Å; P94-L98 PolarHBondContact O-N 3.09Å; V95-L98 PolarHBondContact O-N 3.4Å; V95-L98 VanDerWaalsContact O-N 3.16Å; L98-K100 PolarHBondContact O-N 2.92Å; L98-G101 PolarHBondContact O-N 3.5Å; L98-D105 WeakPolarHBondContact CD2-O 3.41Å; L98-N106 HydrophobicContact CD2-CB 4.45Å; L98-N106 PolarHBondContact O-ND2 3.03Å; L98-N106 VanDerWaalsContact O-ND2 3.14Å; L98-F109 HydrophobicContact CD1-CB 4.4Å; L98-F109 HydrophobicContact CD1-CD1 3.7Å; L98-F109 HydrophobicContact CD1-CD2 4.41Å; L98-F109 HydrophobicContact CD1-CE1 4.06Å; L98-F109 HydrophobicContact CD1-CG 3.9Å; L98-F109 HydrophobicContact CD2-CB 3.71Å; L98-F109 HydrophobicContact CD2-CD1 4.23Å; L98-F109 HydrophobicContact CD2-CG 4.13Å
99I96.1Very high88.4Confident19 Ų1968 Ų6810%0.09733%0.334CS..THydrogen-bonded Turntrans-62.3-18.5-177.367.7179000113.3Y71 I72 F75 V95 G101Y71-I99 HydrophobicContact CD2-CB 4.46Å; I72-I99 HydrophobicContact CD1-CD1 3.74Å; I72-I99 HydrophobicContact CG1-CD1 3.56Å; I72-I99 HydrophobicContact CG1-CG2 4.17Å; F75-I99 HydrophobicContact CD2-CG2 3.68Å; F75-I99 HydrophobicContact CE2-CG2 3.81Å; V95-I99 HydrophobicContact CG1-CG2 4.05Å; V95-I99 WeakPolarHBondContact O-CG1 3.34Å; V95-I99 WeakPolarHBondContact O-CG2 3.33Å; V95-I99 PolarHBondContact O-N 3.42Å; I99-G101 PolarHBondContact O-N 2.92Å
100K94.9Very high89.8Confident143 Ų14360.6 Ų60.662%0.62230%0.302SS*.THydrogen-bonded Turntrans-73-4.1175.4-64.6179.9179.9173.80112.8D96 K97 L98 K102D96-K100 WeakPolarHBondContact O-CD 3.35Å; D96-K100 WeakPolarHBondContact O-CE 3.4Å; D96-K100 WeakPolarHBondContact O-CG 3.22Å; K97-K100 WeakPolarHBondContact O-CB 3.19Å; K97-K100 PolarHBondContact O-N 3.27Å; L98-K100 PolarHBondContact O-N 2.92Å; K100-K102 HydrophobicContact CB-CG 4.26Å; K100-K102 PolarHBondContact O-N 3.09Å
101G93.5Very high91.3Very high26 Ų2660.5 Ų60.527%0.26830%0.299SS..THydrogen-bonded Turntrans63.627.4177.300000113.4E36 L98 I99E36-G101 WeakPolarHBondContact CB-O 3.26Å; E36-G101 WeakPolarHBondContact CG-O 3.34Å; L98-G101 PolarHBondContact O-N 3.5Å; I99-G101 PolarHBondContact O-N 2.92Å
102K94.1Very high92.4Very high122 Ų12254 Ų5453%0.5326%0.263SS..  trans-81.2132177.5-68.3-169.4176.8-1700110.6K100 Q104 D105 N106K100-K102 HydrophobicContact CB-CG 4.26Å; K100-K102 PolarHBondContact O-N 3.09Å; K102-Q104 PolarHBondContact O-N 2.65Å; K102-D105 WeakPolarHBondContact CB-OD2 3.39Å; K102-N106 PolarHBondContact N-ND2 2.86Å; K102-N106 WeakPolarHBondContact O-CB 3.36Å; K102-N106 PolarHBondContact O-N 3.43Å; K102-N106 VanDerWaalsContact O-N 3.14Å; K102-N106 PolarHBondContact O-ND2 2.97Å
103F94.8Very high93.4Very high71 Ų7151.4 Ų51.431%0.31125%0.25SS..Hα-helixtrans-53.9-51.9179.8176.2-98.8000112.8R17 I35 E36 D105 N106 F107R17-F103 HydrophobicContact CB-CE2 4.29Å; R17-F103 HydrophobicContact CB-CZ 4.21Å; I35-F103 HydrophobicContact CB-CD2 4.3Å; I35-F103 HydrophobicContact CB-CE2 4.26Å; I35-F103 HydrophobicContact CD1-CE2 3.96Å; I35-F103 HydrophobicContact CG1-CE2 4.37Å; E36-F103 HydrophobicContact CG-CB 4.17Å; F103-D105 PolarHBondContact O-N 3.08Å; F103-N106 PolarHBondContact O-N 2.62Å; F103-F107 HydrophobicContact CE1-CB 4.31Å; F103-F107 HydrophobicContact CE1-CD1 4.22Å; F103-F107 HydrophobicContact CE1-CG 4.41Å; F103-F107 HydrophobicContact CE2-CB 4.37Å; F103-F107 HydrophobicContact CZ-CB 4.15Å; F103-F107 HydrophobicContact CZ-CD1 4.08Å; F103-F107 HydrophobicContact CZ-CG 4.02Å; F103-F107 WeakPolarHBondContact O-CB 3.1Å; F103-F107 PolarHBondContact O-N 3.37Å
104Q92.9Very high93.8Very high145 Ų14552.7 Ų52.768%0.67826%0.255SS*.Hα-helixtrans-55-52.9-175.5-168.985500112K102 F107 E108K102-Q104 PolarHBondContact O-N 2.65Å; Q104-F107 PolarHBondContact O-N 3.13Å; Q104-E108 WeakPolarHBondContact O-CB 3.48Å; Q104-E108 PolarHBondContact O-N 3.29Å
105D94.3Very high93.8Very high29 Ų2952.4 Ų52.416%0.15525%0.249CC..Hα-helixtrans-67.4-41.4-176.3-60-69.9000111.5K97 L98 K102 F103 F109K97-D105 HydrophobicContact CB-CB 4.01Å; K97-D105 VanDerWaalsContact CD-OD1 3.29Å; K97-D105 WeakPolarHBondContact CD-OD1 3.35Å; L98-D105 WeakPolarHBondContact CD2-O 3.41Å; K102-D105 WeakPolarHBondContact CB-OD2 3.39Å; F103-D105 PolarHBondContact O-N 3.08Å; D105-F109 PolarHBondContact O-N 3.21Å
106N95.8Very high93.7Very high0 Ų051.5 Ų51.50%024%0.244CC..Hα-helixtrans-69.3-38.6178.5-77.7-85.7000111.7I35 C39 L98 K102 F103 L110I35-N106 HydrophobicContact CG2-CB 4.03Å; C39-N106 WeakPolarHBondContact CA-OD1 3.47Å; L98-N106 HydrophobicContact CD2-CB 4.45Å; L98-N106 PolarHBondContact O-ND2 3.03Å; L98-N106 VanDerWaalsContact O-ND2 3.14Å; K102-N106 PolarHBondContact N-ND2 2.86Å; K102-N106 WeakPolarHBondContact O-CB 3.36Å; K102-N106 PolarHBondContact O-N 3.43Å; K102-N106 VanDerWaalsContact O-N 3.14Å; K102-N106 PolarHBondContact O-ND2 2.97Å; F103-N106 PolarHBondContact O-N 2.62Å; N106-L110 VanDerWaalsContact O-CB 3.22Å; N106-L110 WeakPolarHBondContact O-CB 3.43Å; N106-L110 PolarHBondContact O-N 3.32Å
107F94.6Very high93.7Very high38 Ų3846.1 Ų46.117%0.16722%0.215CC..Hα-helixtrans-69.3-43.1179.5-173.9-128.9000112.2R17 M20 I35 F103 Q104 F109 L110 Q111R17-F107 HydrophobicContact CB-CE2 4.33Å; M20-F107 HydrophobicContact CB-CE2 4.4Å; I35-F107 HydrophobicContact CD1-CD2 3.35Å; I35-F107 HydrophobicContact CD1-CE2 3.8Å; I35-F107 HydrophobicContact CD1-CG 4.23Å; I35-F107 HydrophobicContact CG2-CB 4.23Å; F103-F107 HydrophobicContact CE1-CB 4.31Å; F103-F107 HydrophobicContact CE1-CD1 4.22Å; F103-F107 HydrophobicContact CE1-CG 4.41Å; F103-F107 HydrophobicContact CE2-CB 4.37Å; F103-F107 HydrophobicContact CZ-CB 4.15Å; F103-F107 HydrophobicContact CZ-CD1 4.08Å; F103-F107 HydrophobicContact CZ-CG 4.02Å; F103-F107 WeakPolarHBondContact O-CB 3.1Å; F103-F107 PolarHBondContact O-N 3.37Å; Q104-F107 PolarHBondContact O-N 3.13Å; F107-F109 PolarHBondContact O-N 2.94Å; F107-L110 PolarHBondContact O-N 3.37Å; F107-Q111 HydrophobicContact CD2-CG 4.39Å; F107-Q111 HydrophobicContact CE1-CG 4.47Å; F107-Q111 HydrophobicContact CE2-CG 4.14Å; F107-Q111 HydrophobicContact CZ-CG 4.19Å; F107-Q111 VanDerWaalsContact CZ-NE2 3.34Å; F107-Q111 WeakPolarHBondContact O-CG 3.08Å; F107-Q111 PolarHBondContact O-N 3.44Å
108E91.6Very high93.6Very high125 Ų12545.1 Ų45.158%0.58422%0.215SC*.Hα-helixtrans-59.1-47.1175-178.5175.9-160.100111.3Q104 L110 Q111 W112Q104-E108 WeakPolarHBondContact O-CB 3.48Å; Q104-E108 PolarHBondContact O-N 3.29Å; E108-L110 PolarHBondContact O-N 3.22Å; E108-Q111 PolarHBondContact O-N 3.18Å; E108-W112 PolarHBondContact O-N 2.94Å; E108-W112 VanDerWaalsContact O-N 3.14Å
109F94.1Very high93.5Very high7 Ų747.1 Ų47.13%0.03123%0.232CC..Hα-helixtrans-64.4-40.4177.4-176.9-111.1000112.2Y44 L78 F82 V93 L98 D105 F107 W112 F113Y44-F109 HydrophobicContact CD1-CE1 4.07Å; Y44-F109 AromaticContact CD2-CE1 3.99Å; Y44-F109 HydrophobicContact CD2-CE1 3.99Å; Y44-F109 HydrophobicContact CE1-CD1 4.05Å; Y44-F109 AromaticContact CE1-CE1 3.86Å; Y44-F109 HydrophobicContact CE1-CE1 3.86Å; Y44-F109 AromaticContact CE2-CD1 3.9Å; Y44-F109 HydrophobicContact CE2-CD1 3.9Å; Y44-F109 AromaticContact CE2-CE1 3.79Å; Y44-F109 HydrophobicContact CE2-CE1 3.79Å; Y44-F109 HydrophobicContact CG-CE1 4.14Å; Y44-F109 AromaticContact CZ-CD1 3.61Å; Y44-F109 AromaticContact CZ-CE1 3.72Å; L78-F109 HydrophobicContact CD2-CE1 4.49Å; L78-F109 HydrophobicContact CD2-CZ 4.31Å; F82-F109 HydrophobicContact CE2-CZ 4.4Å; V93-F109 HydrophobicContact CB-CE2 4.29Å; V93-F109 HydrophobicContact CB-CZ 4.45Å; V93-F109 HydrophobicContact CG1-CE2 4.33Å; V93-F109 HydrophobicContact CG1-CZ 4.12Å; V93-F109 HydrophobicContact CG2-CE2 3.89Å; V93-F109 HydrophobicContact CG2-CZ 3.91Å; L98-F109 HydrophobicContact CD1-CB 4.4Å; L98-F109 HydrophobicContact CD1-CD1 3.7Å; L98-F109 HydrophobicContact CD1-CD2 4.41Å; L98-F109 HydrophobicContact CD1-CE1 4.06Å; L98-F109 HydrophobicContact CD1-CG 3.9Å; L98-F109 HydrophobicContact CD2-CB 3.71Å; L98-F109 HydrophobicContact CD2-CD1 4.23Å; L98-F109 HydrophobicContact CD2-CG 4.13Å; D105-F109 PolarHBondContact O-N 3.21Å; F107-F109 PolarHBondContact O-N 2.94Å; F109-W112 HydrophobicContact CD2-CE3 4.11Å; F109-W112 AromaticContact CE2-CE3 3.73Å; F109-W112 HydrophobicContact CE2-CE3 3.73Å; F109-W112 AromaticContact CE2-CZ3 3.77Å; F109-W112 HydrophobicContact CE2-CZ3 3.77Å; F109-W112 HydrophobicContact CZ-CE3 4.39Å; F109-W112 HydrophobicContact CZ-CZ3 4.18Å; F109-W112 PolarHBondContact O-N 3.1Å; F109-F113 HydrophobicContact CE1-CD2 4.39Å; F109-F113 HydrophobicContact CZ-CD2 4.29Å; F109-F113 VanDerWaalsContact O-CB 3.31Å; F109-F113 WeakPolarHBondContact O-CB 3.44Å; F109-F113 PolarHBondContact O-N 3.17Å
110L94.9Very high93.4Very high0 Ų047.3 Ų47.30%023%0.232CC..Hα-helixtrans-64.8-38.9177.4-175.559.3000112.6M20 W23 V24 I35 L38 Y44 N106 F107 E108 F113 K114M20-L110 HydrophobicContact CB-CD2 4.28Å; M20-L110 HydrophobicContact CG-CD1 4.35Å; M20-L110 HydrophobicContact CG-CD2 3.2Å; M20-L110 HydrophobicContact CG-CG 3.45Å; M20-L110 VanDerWaalsContact CG-CG 3.45Å; M20-L110 HydrophobicContact SD-CD2 4.36Å; M20-L110 HydrophobicContact SD-CG 3.96Å; W23-L110 HydrophobicContact CZ3-CD1 3.83Å; V24-L110 HydrophobicContact CG2-CD1 4.07Å; I35-L110 HydrophobicContact CD1-CD2 4.32Å; I35-L110 HydrophobicContact CG1-CD2 4.44Å; I35-L110 HydrophobicContact CG2-CD2 3.97Å; L38-L110 HydrophobicContact CD1-CD1 3.91Å; L38-L110 HydrophobicContact CD1-CD2 3.49Å; L38-L110 VanDerWaalsContact CD1-CD2 3.49Å; L38-L110 HydrophobicContact CD1-CG 4.26Å; Y44-L110 HydrophobicContact CE1-CD1 3.93Å; N106-L110 VanDerWaalsContact O-CB 3.22Å; N106-L110 WeakPolarHBondContact O-CB 3.43Å; N106-L110 PolarHBondContact O-N 3.32Å; F107-L110 PolarHBondContact O-N 3.37Å; E108-L110 PolarHBondContact O-N 3.22Å; L110-F113 PolarHBondContact O-N 2.52Å; L110-K114 WeakPolarHBondContact O-CB 3.45Å; L110-K114 PolarHBondContact O-N 3.47Å
111Q91.4Very high93.3Very high41 Ų4144.5 Ų44.519%0.19222%0.219CC..Hα-helixtrans-61.2-45.7173.9-76.7-176.8-2800111.9M20 F107 E108 F113 K114 K115M20-Q111 HydrophobicContact CE-CB 4.4Å; M20-Q111 HydrophobicContact CE-CG 3.81Å; F107-Q111 HydrophobicContact CD2-CG 4.39Å; F107-Q111 HydrophobicContact CE1-CG 4.47Å; F107-Q111 HydrophobicContact CE2-CG 4.14Å; F107-Q111 HydrophobicContact CZ-CG 4.19Å; F107-Q111 VanDerWaalsContact CZ-NE2 3.34Å; F107-Q111 WeakPolarHBondContact O-CG 3.08Å; F107-Q111 PolarHBondContact O-N 3.44Å; E108-Q111 PolarHBondContact O-N 3.18Å; Q111-F113 VanDerWaalsContact C-N 3.35Å; Q111-K114 PolarHBondContact O-N 2.88Å; Q111-K115 PolarHBondContact O-N 3.37Å
112W91.5Very high93.2Very high12 Ų1248.3 Ų48.35%0.04523%0.233CC..Hα-helixtrans-61.9-45.3173.6173.584.4000111.2V5 F82 V87 I92 E108 F109 K114 K115 F116V5-W112 HydrophobicContact CG2-CZ2 4.3Å; V5-W112 PolarHBondContact O-NE1 2.87Å; V5-W112 VanDerWaalsContact O-NE1 3.11Å; F82-W112 HydrophobicContact CE2-CH2 4.15Å; F82-W112 HydrophobicContact CE2-CZ3 4.11Å; F82-W112 HydrophobicContact CZ-CH2 4.04Å; F82-W112 AromaticContact CZ-CZ3 3.92Å; F82-W112 HydrophobicContact CZ-CZ3 3.92Å; V87-W112 HydrophobicContact CG1-CH2 4.22Å; V87-W112 HydrophobicContact CG1-CZ2 4.4Å; I92-W112 HydrophobicContact CD1-CD2 3.97Å; I92-W112 HydrophobicContact CD1-CG 4.28Å; I92-W112 HydrophobicContact CD1-CZ2 3.67Å; I92-W112 HydrophobicContact CG1-CD2 4.15Å; I92-W112 HydrophobicContact CG1-CZ2 4.17Å; I92-W112 HydrophobicContact CG2-CH2 3.71Å; I92-W112 HydrophobicContact CG2-CZ2 3.93Å; I92-W112 HydrophobicContact CG2-CZ3 4.13Å; E108-W112 PolarHBondContact O-N 2.94Å; E108-W112 VanDerWaalsContact O-N 3.14Å; F109-W112 HydrophobicContact CD2-CE3 4.11Å; F109-W112 AromaticContact CE2-CE3 3.73Å; F109-W112 HydrophobicContact CE2-CE3 3.73Å; F109-W112 AromaticContact CE2-CZ3 3.77Å; F109-W112 HydrophobicContact CE2-CZ3 3.77Å; F109-W112 HydrophobicContact CZ-CE3 4.39Å; F109-W112 HydrophobicContact CZ-CZ3 4.18Å; F109-W112 PolarHBondContact O-N 3.1Å; W112-K114 VanDerWaalsContact C-N 3.29Å; W112-K114 PolarHBondContact O-N 3.1Å; W112-K115 PolarHBondContact O-N 3.33Å; W112-K115 VanDerWaalsContact O-N 3.14Å; W112-F116 HydrophobicContact CH2-CB 4.37Å; W112-F116 HydrophobicContact CH2-CD2 4.39Å; W112-F116 HydrophobicContact CH2-CG 4.28Å; W112-F116 HydrophobicContact CZ2-CB 4.39Å; W112-F116 HydrophobicContact CZ2-CD2 4.4Å; W112-F116 PolarHBondContact O-N 3.44Å
113F94Very high93.1Very high0 Ų045 Ų450%023%0.233CC..Hα-helixtrans-62.3-35.6-179.1-166.7-84.7000112W23 Y44 F47 F82 F109 L110 Q111 F116 F117W23-F113 HydrophobicContact CH2-CD1 4.19Å; Y44-F113 HydrophobicContact CD1-CB 4.49Å; Y44-F113 AromaticContact CD1-CD1 3.9Å; Y44-F113 HydrophobicContact CD1-CD1 3.9Å; Y44-F113 AromaticContact CD1-CD2 3.67Å; Y44-F113 HydrophobicContact CD1-CD2 3.67Å; Y44-F113 HydrophobicContact CD1-CE1 4.02Å; Y44-F113 AromaticContact CD1-CE2 3.77Å; Y44-F113 HydrophobicContact CD1-CE2 3.77Å; Y44-F113 AromaticContact CD1-CG 3.75Å; Y44-F113 HydrophobicContact CD1-CG 3.75Å; Y44-F113 AromaticContact CD1-CZ 3.96Å; Y44-F113 HydrophobicContact CD1-CZ 3.96Å; Y44-F113 HydrophobicContact CE1-CB 4.15Å; Y44-F113 HydrophobicContact CE1-CD1 4.13Å; Y44-F113 HydrophobicContact CE1-CD2 4.15Å; Y44-F113 AromaticContact CE1-CG 3.87Å; Y44-F113 HydrophobicContact CE1-CG 3.87Å; Y44-F113 HydrophobicContact CG-CE2 4.4Å; F47-F113 HydrophobicContact CB-CE1 3.51Å; F47-F113 HydrophobicContact CB-CZ 3.53Å; F47-F113 HydrophobicContact CD2-CD1 4.47Å; F47-F113 AromaticContact CD2-CE1 3.69Å; F47-F113 HydrophobicContact CD2-CE1 3.69Å; F47-F113 HydrophobicContact CD2-CZ 4.32Å; F47-F113 AromaticContact CG-CE1 3.69Å; F47-F113 HydrophobicContact CG-CE1 3.69Å; F47-F113 HydrophobicContact CG-CZ 4.21Å; F82-F113 HydrophobicContact CE1-CE2 4.2Å; F82-F113 HydrophobicContact CZ-CD2 4.12Å; F82-F113 AromaticContact CZ-CE2 3.85Å; F82-F113 HydrophobicContact CZ-CE2 3.85Å; F109-F113 HydrophobicContact CE1-CD2 4.39Å; F109-F113 HydrophobicContact CZ-CD2 4.29Å; F109-F113 VanDerWaalsContact O-CB 3.31Å; F109-F113 WeakPolarHBondContact O-CB 3.44Å; F109-F113 PolarHBondContact O-N 3.17Å; L110-F113 PolarHBondContact O-N 2.52Å; Q111-F113 VanDerWaalsContact C-N 3.35Å; F113-F116 WeakPolarHBondContact O-CB 3.35Å; F113-F116 PolarHBondContact O-N 3.17Å; F113-F117 WeakPolarHBondContact O-CB 3.44Å; F113-F117 PolarHBondContact O-N 2.98Å
114K93.2Very high92.8Very high33 Ų3344.3 Ų44.314%0.14323%0.23CC..Hα-helixtrans-61.6-46.6173.3178.458.4163.2760111.9L15 M20 W23 L110 Q111 W112 F116 F117 D118L15-K114 HydrophobicContact CD1-CD 4.5Å; L15-K114 HydrophobicContact CD1-CG 4.18Å; M20-K114 HydrophobicContact CE-CB 4.16Å; M20-K114 HydrophobicContact CE-CG 4.48Å; M20-K114 HydrophobicContact SD-CB 3.91Å; M20-K114 HydrophobicContact SD-CG 4.15Å; W23-K114 HydrophobicContact CD2-CD 3.54Å; W23-K114 HydrophobicContact CE3-CD 3.71Å; W23-K114 HydrophobicContact CE3-CG 4.49Å; W23-K114 HydrophobicContact CG-CD 4.26Å; W23-K114 HydrophobicContact CH2-CB 4.1Å; W23-K114 HydrophobicContact CH2-CD 3.6Å; W23-K114 HydrophobicContact CH2-CG 4.47Å; W23-K114 HydrophobicContact CZ2-CD 3.44Å; W23-K114 VanDerWaalsContact CZ2-CD 3.44Å; W23-K114 HydrophobicContact CZ3-CB 3.96Å; W23-K114 HydrophobicContact CZ3-CD 3.72Å; W23-K114 HydrophobicContact CZ3-CG 4.36Å; L110-K114 WeakPolarHBondContact O-CB 3.45Å; L110-K114 PolarHBondContact O-N 3.47Å; Q111-K114 PolarHBondContact O-N 2.88Å; W112-K114 VanDerWaalsContact C-N 3.29Å; W112-K114 PolarHBondContact O-N 3.1Å; K114-F116 VanDerWaalsContact C-N 3.27Å; K114-F116 PolarHBondContact O-N 3.46Å; K114-F117 WeakPolarHBondContact O-CB 3.38Å; K114-F117 PolarHBondContact O-N 3.17Å; K114-D118 IonicContact NZ-OD1 3.7Å; K114-D118 PolarHBondContact NZ-OD1 2.83Å; K114-D118 IonicContact NZ-OD2 3.27Å; K114-D118 PolarHBondContact NZ-OD2 3.45Å; K114-D118 VanDerWaalsContact O-CG 3.26Å; K114-D118 PolarHBondContact O-N 3.23Å
115K90.3Very high92.6Very high39 Ų3943.6 Ų43.617%0.1724%0.238CC..Hα-helixtrans-61.5-40.6175.8-61.7178.9-164.8-164.10110.9V5 T12 Q111 W112 D118 A119V5-K115 HydrophobicContact CB-CB 4.49Å; V5-K115 HydrophobicContact CG2-CB 4.28Å; T12-K115 WeakPolarHBondContact OG1-CE 3.3Å; T12-K115 PolarHBondContact OG1-NZ 3.32Å; Q111-K115 PolarHBondContact O-N 3.37Å; W112-K115 PolarHBondContact O-N 3.33Å; W112-K115 VanDerWaalsContact O-N 3.14Å; K115-D118 PolarHBondContact O-N 3.08Å; K115-A119 WeakPolarHBondContact O-CB 3.43Å; K115-A119 PolarHBondContact O-N 3.09Å; K115-A119 VanDerWaalsContact O-N 3.07Å
116F92.3Very high92.4Very high0 Ų044.6 Ų44.60%024%0.24CC..Hα-helixtrans-62.3-44.8175.6175.7-101.4000111A2 V5 M48 L51 F52 F82 V87 W112 F113 K114 A119 N120A2-F116 HydrophobicContact CB-CE2 3.9Å; A2-F116 HydrophobicContact CB-CZ 3.98Å; V5-F116 HydrophobicContact CG2-CB 3.63Å; V5-F116 HydrophobicContact CG2-CD2 4.28Å; V5-F116 HydrophobicContact CG2-CG 4.49Å; M48-F116 HydrophobicContact SD-CE1 3.94Å; M48-F116 HydrophobicContact SD-CZ 4.45Å; L51-F116 HydrophobicContact CD1-CD1 4.04Å; L51-F116 HydrophobicContact CD1-CE1 3.71Å; F52-F116 HydrophobicContact CE2-CE1 4.36Å; F52-F116 HydrophobicContact CE2-CZ 4Å; F82-F116 AromaticContact CE1-CE1 3.96Å; F82-F116 HydrophobicContact CE1-CE1 3.96Å; F82-F116 HydrophobicContact CE1-CZ 4.28Å; V87-F116 HydrophobicContact CG1-CE2 4.07Å; V87-F116 HydrophobicContact CG2-CE2 3.69Å; V87-F116 HydrophobicContact CG2-CZ 3.61Å; W112-F116 HydrophobicContact CH2-CB 4.37Å; W112-F116 HydrophobicContact CH2-CD2 4.39Å; W112-F116 HydrophobicContact CH2-CG 4.28Å; W112-F116 HydrophobicContact CZ2-CB 4.39Å; W112-F116 HydrophobicContact CZ2-CD2 4.4Å; W112-F116 PolarHBondContact O-N 3.44Å; F113-F116 WeakPolarHBondContact O-CB 3.35Å; F113-F116 PolarHBondContact O-N 3.17Å; K114-F116 VanDerWaalsContact C-N 3.27Å; K114-F116 PolarHBondContact O-N 3.46Å; F116-A119 PolarHBondContact O-N 3.06Å; F116-N120 WeakPolarHBondContact CD2-ND2 3.28Å; F116-N120 WeakPolarHBondContact CE2-ND2 3.4Å; F116-N120 WeakPolarHBondContact O-CB 3.45Å; F116-N120 PolarHBondContact O-N 3.29Å; F116-N120 PolarHBondContact O-ND2 3.45Å
117F94Very high92.1Very high6 Ų648.2 Ų48.23%0.02626%0.259CS..Hα-helixtrans-60.2-51.2176.8-176.8-86.4000111.4W23 F47 M50 L51 F113 K114 A119 N120 Y121W23-F117 HydrophobicContact CH2-CB 4.27Å; W23-F117 HydrophobicContact CH2-CG 4.42Å; W23-F117 HydrophobicContact CZ2-CB 3.97Å; W23-F117 AromaticContact CZ2-CD1 3.8Å; W23-F117 HydrophobicContact CZ2-CD1 3.8Å; W23-F117 HydrophobicContact CZ2-CD2 4.18Å; W23-F117 HydrophobicContact CZ2-CE1 4.35Å; W23-F117 AromaticContact CZ2-CG 3.71Å; W23-F117 HydrophobicContact CZ2-CG 3.71Å; F47-F117 AromaticContact CD1-CD2 3.87Å; F47-F117 HydrophobicContact CD1-CD2 3.87Å; F47-F117 AromaticContact CD1-CE2 3.69Å; F47-F117 HydrophobicContact CD1-CE2 3.69Å; F47-F117 HydrophobicContact CE1-CD2 4.39Å; F47-F117 HydrophobicContact CE1-CE2 4.16Å; M50-F117 HydrophobicContact CG-CE2 4.46Å; M50-F117 HydrophobicContact SD-CE2 3.53Å; M50-F117 VanDerWaalsContact SD-CE2 3.53Å; M50-F117 HydrophobicContact SD-CZ 3.62Å; L51-F117 HydrophobicContact CD1-CD2 3.9Å; L51-F117 HydrophobicContact CD2-CD2 3.61Å; L51-F117 HydrophobicContact CD2-CE2 3.73Å; L51-F117 HydrophobicContact CD2-CG 4.18Å; L51-F117 HydrophobicContact CD2-CZ 4.41Å; L51-F117 HydrophobicContact CG-CD2 3.8Å; L51-F117 HydrophobicContact CG-CE2 4.02Å; F113-F117 WeakPolarHBondContact O-CB 3.44Å; F113-F117 PolarHBondContact O-N 2.98Å; K114-F117 WeakPolarHBondContact O-CB 3.38Å; K114-F117 PolarHBondContact O-N 3.17Å; F117-A119 PolarHBondContact O-N 3.48Å; F117-N120 PolarHBondContact O-N 2.99Å; F117-Y121 HydrophobicContact CD1-CG 4.48Å; F117-Y121 AromaticContact CE1-CD1 3.79Å; F117-Y121 HydrophobicContact CE1-CD1 3.79Å; F117-Y121 HydrophobicContact CE1-CD2 4.17Å; F117-Y121 HydrophobicContact CE1-CE1 4.43Å; F117-Y121 AromaticContact CE1-CG 3.62Å; F117-Y121 HydrophobicContact CE1-CG 3.62Å; F117-Y121 HydrophobicContact CE2-CD2 4.19Å; F117-Y121 HydrophobicContact CE2-CG 4.39Å; F117-Y121 AromaticContact CZ-CD1 3.98Å; F117-Y121 HydrophobicContact CZ-CD1 3.98Å; F117-Y121 AromaticContact CZ-CD2 3.61Å; F117-Y121 HydrophobicContact CZ-CD2 3.61Å; F117-Y121 HydrophobicContact CZ-CE1 4.37Å; F117-Y121 HydrophobicContact CZ-CE2 4.05Å; F117-Y121 AromaticContact CZ-CG 3.56Å; F117-Y121 HydrophobicContact CZ-CG 3.56Å; F117-Y121 VanDerWaalsContact O-CB 3.31Å; F117-Y121 WeakPolarHBondContact O-CB 3.43Å; F117-Y121 PolarHBondContact O-N 3.23Å
118D92.4Very high91.6Very high91 Ų9146.4 Ų46.449%0.48725%0.251SS..Hα-helixtrans-61-34-179.1-66.1-21.1000112.7K114 K115 N120K114-D118 IonicContact NZ-OD1 3.7Å; K114-D118 PolarHBondContact NZ-OD1 2.83Å; K114-D118 IonicContact NZ-OD2 3.27Å; K114-D118 PolarHBondContact NZ-OD2 3.45Å; K114-D118 VanDerWaalsContact O-CG 3.26Å; K114-D118 PolarHBondContact O-N 3.23Å; K115-D118 PolarHBondContact O-N 3.08Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.25Å
119A92.1Very high91.2Very high43 Ų4345.3 Ų45.336%0.35525%0.249SC..Hα-helixtrans-73.9-17.6177.100000114V3 V5 K115 F116 F117V3-A119 HydrophobicContact CB-CB 4.3Å; V3-A119 HydrophobicContact CG1-CB 4.13Å; V5-A119 HydrophobicContact CG1-CB 3.61Å; K115-A119 WeakPolarHBondContact O-CB 3.43Å; K115-A119 PolarHBondContact O-N 3.09Å; K115-A119 VanDerWaalsContact O-N 3.07Å; F116-A119 PolarHBondContact O-N 3.06Å; F117-A119 PolarHBondContact O-N 3.48Å
120N93.9Very high90.7Very high22 Ų2250.8 Ų50.812%0.11828%0.275CS..Hα-helixtrans-120.6-17.7-170.6-74.5-76.7000114.6A2 V3 L51 F52 F116 F117 D118 D122A2-N120 WeakPolarHBondContact CA-OD1 3.45Å; V3-N120 PolarHBondContact N-OD1 2.82Å; V3-N120 PolarHBondContact O-ND2 3.12Å; L51-N120 HydrophobicContact CD1-CB 4.38Å; L51-N120 HydrophobicContact CD2-CB 4Å; F52-N120 HydrophobicContact CE2-CB 4.38Å; F52-N120 HydrophobicContact CZ-CB 3.78Å; F52-N120 WeakPolarHBondContact CZ-OD1 3.36Å; F116-N120 WeakPolarHBondContact CD2-ND2 3.28Å; F116-N120 WeakPolarHBondContact CE2-ND2 3.4Å; F116-N120 WeakPolarHBondContact O-CB 3.45Å; F116-N120 PolarHBondContact O-N 3.29Å; F116-N120 PolarHBondContact O-ND2 3.45Å; F117-N120 PolarHBondContact O-N 2.99Å; D118-N120 VanDerWaalsContact C-N 3.29Å; D118-N120 PolarHBondContact O-N 3.25Å; N120-D122 PolarHBondContact O-N 2.96Å
121Y94.3Very high90.3Very high85 Ų8551.7 Ų51.733%0.33328%0.282SS..  trans-75.4125.7-177.9-172.7-123000110.8M50 L51 F117 K124M50-Y121 HydrophobicContact CG-CE2 4.03Å; M50-Y121 HydrophobicContact SD-CE2 4.06Å; L51-Y121 HydrophobicContact CD2-CD2 4.1Å; L51-Y121 HydrophobicContact CD2-CG 4.39Å; F117-Y121 HydrophobicContact CD1-CG 4.48Å; F117-Y121 AromaticContact CE1-CD1 3.79Å; F117-Y121 HydrophobicContact CE1-CD1 3.79Å; F117-Y121 HydrophobicContact CE1-CD2 4.17Å; F117-Y121 HydrophobicContact CE1-CE1 4.43Å; F117-Y121 AromaticContact CE1-CG 3.62Å; F117-Y121 HydrophobicContact CE1-CG 3.62Å; F117-Y121 HydrophobicContact CE2-CD2 4.19Å; F117-Y121 HydrophobicContact CE2-CG 4.39Å; F117-Y121 AromaticContact CZ-CD1 3.98Å; F117-Y121 HydrophobicContact CZ-CD1 3.98Å; F117-Y121 AromaticContact CZ-CD2 3.61Å; F117-Y121 HydrophobicContact CZ-CD2 3.61Å; F117-Y121 HydrophobicContact CZ-CE1 4.37Å; F117-Y121 HydrophobicContact CZ-CE2 4.05Å; F117-Y121 AromaticContact CZ-CG 3.56Å; F117-Y121 HydrophobicContact CZ-CG 3.56Å; F117-Y121 VanDerWaalsContact O-CB 3.31Å; F117-Y121 WeakPolarHBondContact O-CB 3.43Å; F117-Y121 PolarHBondContact O-N 3.23Å; Y121-K124 PolarHBondContact OH-O 2.83Å
122D91.6Very high90Very high106 Ų10651 Ų5157%0.56728%0.281SS*.  trans-965.5-177.557.81.5000113N120 K124N120-D122 PolarHBondContact O-N 2.96Å; D122-K124 VanDerWaalsContact C-N 3.32Å; D122-K124 VanDerWaalsContact CG-NZ 3.33Å; D122-K124 PolarHBondContact O-N 3.17Å; D122-K124 WeakPolarHBondContact OD1-CB 3.21Å; D122-K124 WeakPolarHBondContact OD1-CD 3.44Å; D122-K124 WeakPolarHBondContact OD1-CE 3.1Å; D122-K124 WeakPolarHBondContact OD1-CG 3.17Å; D122-K124 PolarHBondContact OD1-N 2.81Å; D122-K124 IonicContact OD1-NZ 3.2Å; D122-K124 PolarHBondContact OD1-NZ 2.9Å; D122-K124 IonicContact OD2-NZ 2.76Å; D122-K124 PolarHBondContact OD2-NZ 3.46Å
123G91Very high89.5Confident52 Ų5252 Ų5254%0.53630%0.295SS..  trans79.97.2179.700000114.8
124K89.3Confident88.7Confident57 Ų5754.7 Ų54.725%0.24831%0.313CS..  trans-65.4141.7-179.669-164.9152.2-137.40112M50 L51 Y121 D122 Y126M50-K124 WeakPolarHBondContact O-CE 3.33Å; L51-K124 PolarHBondContact O-NZ 3.41Å; Y121-K124 PolarHBondContact OH-O 2.83Å; D122-K124 VanDerWaalsContact C-N 3.32Å; D122-K124 VanDerWaalsContact CG-NZ 3.33Å; D122-K124 PolarHBondContact O-N 3.17Å; D122-K124 WeakPolarHBondContact OD1-CB 3.21Å; D122-K124 WeakPolarHBondContact OD1-CD 3.44Å; D122-K124 WeakPolarHBondContact OD1-CE 3.1Å; D122-K124 WeakPolarHBondContact OD1-CG 3.17Å; D122-K124 PolarHBondContact OD1-N 2.81Å; D122-K124 IonicContact OD1-NZ 3.2Å; D122-K124 PolarHBondContact OD1-NZ 2.9Å; D122-K124 IonicContact OD2-NZ 2.76Å; D122-K124 PolarHBondContact OD2-NZ 3.46Å; K124-Y126 PolarHBondContact O-N 3.32Å
125P88.3Confident87.8Confident129 Ų12953.8 Ų53.884%0.83831%0.312SS*.  trans-64.3138.4174.728.5-34.3000109.9
126Y90.1Very high86.9Confident50 Ų5056.3 Ų56.320%0.19633%0.327CS..  trans-139.9129.3178.6-176.6-99000110.4N46 D49 M50 K124 A128 A131N46-Y126 WeakPolarHBondContact ND2-CE1 3.31Å; N46-Y126 PolarHBondContact ND2-OH 2.76Å; D49-Y126 VanDerWaalsContact OD2-CE2 3.28Å; D49-Y126 WeakPolarHBondContact OD2-CE2 3.46Å; D49-Y126 PolarHBondContact OD2-OH 3.47Å; M50-Y126 HydrophobicContact CB-CD1 3.71Å; M50-Y126 HydrophobicContact CB-CD2 3.98Å; M50-Y126 HydrophobicContact CB-CE1 3.81Å; M50-Y126 HydrophobicContact CB-CE2 4.11Å; M50-Y126 HydrophobicContact CB-CG 3.77Å; M50-Y126 HydrophobicContact CE-CD1 3.34Å; M50-Y126 HydrophobicContact CE-CE1 3.99Å; M50-Y126 HydrophobicContact CE-CG 4.06Å; M50-Y126 HydrophobicContact CG-CD1 3.8Å; M50-Y126 HydrophobicContact CG-CD2 4.17Å; M50-Y126 HydrophobicContact CG-CE1 4.4Å; M50-Y126 HydrophobicContact CG-CG 3.62Å; M50-Y126 HydrophobicContact SD-CD1 4.39Å; K124-Y126 PolarHBondContact O-N 3.32Å; Y126-A128 HydrophobicContact CD1-CB 4.14Å; Y126-A128 VanDerWaalsContact CE1-CA 3.46Å; Y126-A128 HydrophobicContact CE1-CB 3.88Å; Y126-A131 HydrophobicContact CE1-CB 4.49Å; Y126-A131 HydrophobicContact CE2-CB 4.41Å; Y126-A131 WeakPolarHBondContact OH-CB 3.21Å
127N88.8Confident85.3Confident76 Ų7665 Ų6541%0.40636%0.36SS..  trans-101.595.5174.1-171.5-17.9000109.8L129 E130 A131N127-L129 VanDerWaalsContact C-N 3.33Å; N127-L129 PolarHBondContact O-N 3.04Å; N127-L129 PolarHBondContact OD1-N 3.4Å; N127-E130 HydrophobicContact CB-CB 3.96Å; N127-E130 PolarHBondContact O-N 2.95Å; N127-E130 PolarHBondContact OD1-N 3.01Å; N127-E130 VanDerWaalsContact OD1-N 3.16Å; N127-A131 PolarHBondContact O-N 3.5Å; N127-A131 VanDerWaalsContact O-N 3.12Å
128A83.8Confident82.8Confident0 Ų073.2 Ų73.20%040%0.399CS..Hα-helixtrans-57.9-43.8-179.500000112.8L28 N46 Y126 E130 A131 V132L28-A128 HydrophobicContact CB-CB 4.3Å; L28-A128 HydrophobicContact CD2-CB 4.16Å; L28-A128 WeakPolarHBondContact O-CB 3.38Å; N46-A128 WeakPolarHBondContact OD1-CB 3.17Å; Y126-A128 HydrophobicContact CD1-CB 4.14Å; Y126-A128 VanDerWaalsContact CE1-CA 3.46Å; Y126-A128 HydrophobicContact CE1-CB 3.88Å; A128-E130 PolarHBondContact O-N 3.39Å; A128-A131 PolarHBondContact O-N 3.46Å; A128-V132 WeakPolarHBondContact O-CG2 3.48Å; A128-V132 PolarHBondContact O-N 3.4Å
129L83Confident80.5Confident103 Ų10374 Ų7454%0.53941%0.408SS..Hα-helixtrans-64.4-40.3-179-64.5177.4000112.1N29 N127 V132 G133N29-L129 HydrophobicContact CB-CD1 4.1Å; N29-L129 HydrophobicContact CB-CG 4.14Å; N127-L129 VanDerWaalsContact C-N 3.33Å; N127-L129 PolarHBondContact O-N 3.04Å; N127-L129 PolarHBondContact OD1-N 3.4Å; L129-V132 PolarHBondContact O-N 3.16Å; L129-G133 PolarHBondContact O-N 3.41Å
130E85.5Confident78.1Confident122 Ų12278 Ų7857%0.5743%0.429SS*.Hα-helixtrans-66.4-39.9176.6-174.7177.6-17300111.8N127 A128 G133 S134N127-E130 HydrophobicContact CB-CB 3.96Å; N127-E130 PolarHBondContact O-N 2.95Å; N127-E130 PolarHBondContact OD1-N 3.01Å; N127-E130 VanDerWaalsContact OD1-N 3.16Å; A128-E130 PolarHBondContact O-N 3.39Å; E130-G133 PolarHBondContact O-N 2.9Å; E130-S134 WeakPolarHBondContact O-CB 3.34Å; E130-S134 PolarHBondContact O-N 2.9Å; E130-S134 PolarHBondContact O-OG 2.91Å
131A84.6Confident75.3Confident18 Ų1886.4 Ų86.415%0.14946%0.46CS..Hα-helixtrans-63.3-45.217700000111.5L58 Y126 N127 A128 A135L58-A131 HydrophobicContact CD1-CB 3.86Å; Y126-A131 HydrophobicContact CE1-CB 4.49Å; Y126-A131 HydrophobicContact CE2-CB 4.41Å; Y126-A131 WeakPolarHBondContact OH-CB 3.21Å; N127-A131 PolarHBondContact O-N 3.5Å; N127-A131 VanDerWaalsContact O-N 3.12Å; A128-A131 PolarHBondContact O-N 3.46Å; A131-A135 WeakPolarHBondContact O-CB 3.4Å; A131-A135 PolarHBondContact O-N 3.32Å
132V85Confident72.6Confident28 Ų2893.3 Ų93.317%0.1749%0.486CS..Hα-helixtrans-63.5-48.2174.8176.10000111.3W63 A128 L129 S134 A135 N136W63-V132 HydrophobicContact CB-CG1 4.35Å; W63-V132 HydrophobicContact CD2-CB 4.3Å; W63-V132 HydrophobicContact CD2-CG1 3.56Å; W63-V132 HydrophobicContact CD2-CG2 4.04Å; W63-V132 HydrophobicContact CE3-CB 4.42Å; W63-V132 HydrophobicContact CE3-CG1 3.91Å; W63-V132 HydrophobicContact CE3-CG2 3.71Å; W63-V132 HydrophobicContact CG-CG1 3.75Å; W63-V132 HydrophobicContact CH2-CB 4.41Å; W63-V132 HydrophobicContact CH2-CG2 3.43Å; W63-V132 VanDerWaalsContact CH2-CG2 3.43Å; W63-V132 HydrophobicContact CZ2-CB 4.28Å; W63-V132 HydrophobicContact CZ2-CG1 4.36Å; W63-V132 HydrophobicContact CZ2-CG2 3.77Å; W63-V132 HydrophobicContact CZ3-CB 4.48Å; W63-V132 HydrophobicContact CZ3-CG1 4.45Å; W63-V132 HydrophobicContact CZ3-CG2 3.4Å; A128-V132 WeakPolarHBondContact O-CG2 3.48Å; A128-V132 PolarHBondContact O-N 3.4Å; L129-V132 PolarHBondContact O-N 3.16Å; V132-S134 PolarHBondContact O-N 3.33Å; V132-A135 WeakPolarHBondContact O-CB 3.24Å; V132-A135 PolarHBondContact O-N 3.26Å; V132-N136 PolarHBondContact O-N 3.21Å; V132-N136 VanDerWaalsContact O-N 3.09Å
133G81.7Confident69.9Low33 Ų3395.6 Ų95.634%0.3449%0.49SS..Hα-helixtrans-61.5-42.6-179.900000112.3L129 E130 A135 N136 R137L129-G133 PolarHBondContact O-N 3.41Å; E130-G133 PolarHBondContact O-N 2.9Å; G133-A135 VanDerWaalsContact C-N 3.31Å; G133-A135 PolarHBondContact O-N 3Å; G133-N136 PolarHBondContact O-N 3.03Å; G133-R137 PolarHBondContact O-N 3.12Å
134S76.8Confident67.2Low55 Ų5599.1 Ų99.139%0.38550%0.504SS..Hα-helixtrans-67-31.4176.3-63.50000112.6E130 V132E130-S134 WeakPolarHBondContact O-CB 3.34Å; E130-S134 PolarHBondContact O-N 2.9Å; E130-S134 PolarHBondContact O-OG 2.91Å; V132-S134 PolarHBondContact O-N 3.33Å
135A75.8Confident65Low14 Ų14102.5 Ų102.512%0.11653%0.53CS..Hα-helixtrans-70.9-34.6175.200000113L58 K59 A131 V132 G133 R137L58-A135 HydrophobicContact CB-CB 3.86Å; K59-A135 HydrophobicContact CG-CB 4.45Å; A131-A135 WeakPolarHBondContact O-CB 3.4Å; A131-A135 PolarHBondContact O-N 3.32Å; V132-A135 WeakPolarHBondContact O-CB 3.24Å; V132-A135 PolarHBondContact O-N 3.26Å; G133-A135 VanDerWaalsContact C-N 3.31Å; G133-A135 PolarHBondContact O-N 3Å; A135-R137 VanDerWaalsContact C-N 3.34Å
136N70.4Confident62.6Low93 Ų93104.3 Ų104.350%0.49753%0.532SS..Hα-helixtrans-77.4-15178.4-79.6-35.4000114V132 G133 Q138V132-N136 PolarHBondContact O-N 3.21Å; V132-N136 VanDerWaalsContact O-N 3.09Å; G133-N136 PolarHBondContact O-N 3.03Å; N136-Q138 PolarHBondContact O-N 3.35Å
137R58.7Low60.4Low183 Ų183106 Ų10669%0.69156%0.557SS**SBendtrans-69.7104.5175-72-179.4-173.4172.54.3109.7G133 A135G133-R137 PolarHBondContact O-N 3.12Å; A135-R137 VanDerWaalsContact C-N 3.34Å
138Q41.6Very low58Low178 Ų178107.8 Ų107.883%0.83258%0.575SS**  trans-55134.3170.7-71.5-179.313.800109.6N136 T140N136-Q138 PolarHBondContact O-N 3.35Å; Q138-T140 PolarHBondContact O-N 2.59Å; Q138-T140 VanDerWaalsContact O-N 3.12Å
139P44Very low56.3Low106 Ų106113.4 Ų113.469%0.68861%0.609SS**  trans-64.9116169.923.8-26.3000108Y141P139-Y141 PolarHBondContact O-N 3.33Å
140T41.8Very low54.2Low128 Ų128114.7 Ų114.779%0.78562%0.624SS**  trans-64.6107.2167.949.50000107.4Q138 R142Q138-T140 PolarHBondContact O-N 2.59Å; Q138-T140 VanDerWaalsContact O-N 3.12Å; T140-R142 VanDerWaalsContact C-N 3.3Å; T140-R142 PolarHBondContact O-N 3.39Å
141Y36.6Very low52.2Low199 Ų199114.3 Ų114.378%0.7863%0.63SS**  trans-72.387.7174.7-166.8-95.8000108.5P139 K143P139-Y141 PolarHBondContact O-N 3.33Å; Y141-K143 HydrophobicContact CD1-CG 3.98Å; Y141-K143 HydrophobicContact CE1-CG 3.54Å; Y141-K143 PolarHBondContact O-N 3.28Å
142R35.5Very low50.1Low230 Ų230118.2 Ų118.287%0.86866%0.662SS**  trans-78.2103.9162.9-82.4-173175-176.2-1.3107.8T140T140-R142 VanDerWaalsContact C-N 3.3Å; T140-R142 PolarHBondContact O-N 3.39Å
143K35.1Very low47.9Very low153 Ų153123.2 Ų123.267%0.66569%0.692SS**  trans-51.5137.2164.6-85.5-176.9175.1-179.30109.1Y141 T145Y141-K143 HydrophobicContact CD1-CG 3.98Å; Y141-K143 HydrophobicContact CE1-CG 3.54Å; Y141-K143 PolarHBondContact O-N 3.28Å; K143-T145 PolarHBondContact O-N 3.35Å
144P36Very low46.1Very low127 Ų127125.7 Ų125.783%0.82571%0.709SS**  trans-74.5109.6172.230.3-29.5000108.1
145T42.4Very low44.4Very low128 Ų128128.3 Ų128.379%0.78573%0.727SS**  trans-10912216554.40000108.6K143K143-T145 PolarHBondContact O-N 3.35Å
146N37.1Very low42.7Very low167 Ų167133.2 Ų133.289%0.89376%0.761SS**  trans-56157.4170.2-92-18.3000111.9
147A43.7Very low41.4Very low86 Ų86131.9 Ų131.971%0.71177%0.769SS**  trans88.794.2164.500000117.8
148S38.8Very low41.1Very low113 Ų113131.7 Ų131.779%0.7977%0.773SS**  31.798.7126.856.50000119.3
149V48.3Very low41.3Very low117 Ų117131 Ų13171%0.70977%0.77SS**  trans-159132.8139.7-160.30000108V151V149-V151 HydrophobicContact CB-CG2 4.37Å; V149-V151 HydrophobicContact CG1-CG2 4.34Å; V149-V151 PolarHBondContact O-N 2.85Å
150P39.4Very low41.1Very low131 Ų131127.9 Ų127.985%0.85176%0.757SS**  trans-78.7104.3168.931.7-27.5000107.9
151V43.8Very low41.4Very low114 Ų114127.7 Ų127.769%0.69175%0.748SS**  trans-100.2115.6169.1178.40000107.5V149 V153V149-V151 HydrophobicContact CB-CG2 4.37Å; V149-V151 HydrophobicContact CG1-CG2 4.34Å; V149-V151 PolarHBondContact O-N 2.85Å; V151-V153 PolarHBondContact O-N 3.27Å
152A39.8Very low42.3Very low100 Ų100125.3 Ų125.383%0.82674%0.742SS**  trans-55.9109.4172.100000109.4A154A152-A154 PolarHBondContact O-N 3Å
153V39.2Very low43.1Very low133 Ų133121.6 Ų121.681%0.80674%0.735SS**  trans-84.5106.5172.2-177.80000107V151 S155V151-V153 PolarHBondContact O-N 3.27Å; V153-S155 PolarHBondContact O-N 2.68Å; V153-S155 VanDerWaalsContact O-N 3.11Å
154A42.7Very low44Very low85 Ų85119.9 Ų119.970%0.70273%0.732SS**  trans-47.8116.4167.500000109.8A152 S156A152-A154 PolarHBondContact O-N 3Å; A154-S156 VanDerWaalsContact C-N 3.25Å; A154-S156 PolarHBondContact O-N 3.28Å
155S41.8Very low45Very low109 Ų109119.4 Ų119.476%0.76272%0.719SS**  trans-74.977.8170.9171.20000109.2V153V153-S155 PolarHBondContact O-N 2.68Å; V153-S155 VanDerWaalsContact O-N 3.11Å
156S40.6Very low45.9Very low117 Ų117118 Ų11882%0.81871%0.71SS**  trans-129.2110.2167.7-77.50000108.3A154A154-S156 VanDerWaalsContact C-N 3.25Å; A154-S156 PolarHBondContact O-N 3.28Å
157G42.8Very low47.1Very low65 Ų65112.3 Ų112.367%0.6769%0.686SS**SBendtrans156.5-12.4174.800000116
158K51.3Low47.9Very low179 Ų179113.4 Ų113.478%0.77868%0.676SS**SBendtrans-91.1-0-176.2-72.6-172.8176.7179.10116
159H45.8Very low49.1Very low164 Ų164110.7 Ų110.776%0.75966%0.657SS**SBendtrans-93.9-23.6-179.4-71.996.2000113.9
160G40Very low50.1Low40 Ų40108.1 Ų108.141%0.41264%0.644SS.*Hα-helixtrans-77.5-19.6-177.100000116.1L164G160-L164 PolarHBondContact O-N 2.91Å
161M49.3Very low51.7Low124 Ų124107 Ų10761%0.61163%0.63SS**Hα-helixtrans-76.4-31.7-179.3-76.4-84.4-88.600112.7E165M161-E165 WeakPolarHBondContact O-CG 3.49Å; M161-E165 PolarHBondContact O-N 3.43Å; M161-E165 VanDerWaalsContact O-N 3.09Å
162K54.9Low53Low150 Ų150105.7 Ų105.765%0.65262%0.616SS**Hα-helixtrans-72.2-32179.1-70.3-175.3176.4-177.30112.4V166K162-V166 VanDerWaalsContact O-CG2 3.26Å; K162-V166 WeakPolarHBondContact O-CG2 3.33Å; K162-V166 PolarHBondContact O-N 3.44Å; K162-V166 VanDerWaalsContact O-N 3.07Å
163E52Low54.7Low152 Ų152107.4 Ų107.471%0.7161%0.605SS**Hα-helixtrans-72.1-37.3179.1-151.2163.9-162.500111.2A167E163-A167 WeakPolarHBondContact O-CB 3.47Å; E163-A167 PolarHBondContact O-N 2.9Å
164L55.2Low56.5Low117 Ų117105.6 Ų105.661%0.61359%0.588SS**Hα-helixtrans-67.4-41.5171.5-103.8120.8000113G160 A167 Q168G160-L164 PolarHBondContact O-N 2.91Å; L164-A167 PolarHBondContact O-N 2.97Å; L164-Q168 WeakPolarHBondContact O-CG 3.32Å; L164-Q168 PolarHBondContact O-N 3.14Å
165E56Low58.2Low116 Ų116106.8 Ų106.854%0.54257%0.574SS.*Hα-helixtrans-64.9-40.5177.5-76.1171.6171.100112M161 Q168 C169M161-E165 WeakPolarHBondContact O-CG 3.49Å; M161-E165 PolarHBondContact O-N 3.43Å; M161-E165 VanDerWaalsContact O-N 3.09Å; E165-Q168 PolarHBondContact O-N 3.22Å; E165-C169 PolarHBondContact O-N 3.48Å; E165-C169 VanDerWaalsContact O-N 3.1Å
166V61.4Low60.1Low98 Ų98105.4 Ų105.459%0.59456%0.558SS**Hα-helixtrans-67.4-40175.2173.20000111.1K162 C169 S170K162-V166 VanDerWaalsContact O-CG2 3.26Å; K162-V166 WeakPolarHBondContact O-CG2 3.33Å; K162-V166 PolarHBondContact O-N 3.44Å; K162-V166 VanDerWaalsContact O-N 3.07Å; V166-C169 PolarHBondContact O-N 3.2Å; V166-S170 PolarHBondContact O-N 2.95Å; V166-S170 VanDerWaalsContact O-N 3.1Å; V166-S170 PolarHBondContact O-OG 3.3Å
167A61.4Low62Low48 Ų48101.2 Ų101.240%0.39753%0.526SS..Hα-helixtrans-64.6-39175.500000112.7E163 L164 S170 I171E163-A167 WeakPolarHBondContact O-CB 3.47Å; E163-A167 PolarHBondContact O-N 2.9Å; L164-A167 PolarHBondContact O-N 2.97Å; A167-S170 PolarHBondContact O-N 3.42Å; A167-I171 VanDerWaalsContact O-CG1 3.3Å; A167-I171 WeakPolarHBondContact O-CG1 3.22Å; A167-I171 PolarHBondContact O-N 3.12Å
168Q62.1Low64.1Low109 Ų109104 Ų10451%0.50952%0.516SS..Hα-helixtrans-62.7-42.4173.9-75.7-171.1-68.500111.7L164 E165 S170 I171 E172L164-Q168 WeakPolarHBondContact O-CG 3.32Å; L164-Q168 PolarHBondContact O-N 3.14Å; E165-Q168 PolarHBondContact O-N 3.22Å; Q168-S170 VanDerWaalsContact C-N 3.34Å; Q168-S170 PolarHBondContact O-N 3.48Å; Q168-I171 PolarHBondContact O-N 2.94Å; Q168-E172 WeakPolarHBondContact O-CB 3.48Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 3.32Å
169C63.8Low65.7Low56 Ų56102.3 Ų102.338%0.37851%0.506SS..Hα-helixtrans-62.1-39.9177-176.20000112.3E165 V166 E172 K173E165-C169 PolarHBondContact O-N 3.48Å; E165-C169 VanDerWaalsContact O-N 3.1Å; V166-C169 PolarHBondContact O-N 3.2Å; C169-E172 PolarHBondContact O-N 2.92Å; C169-K173 WeakPolarHBondContact O-CG 3.48Å; C169-K173 PolarHBondContact O-N 3.42Å
170S67.9Low67.6Low64 Ų6495.9 Ų95.945%0.44848%0.484SS..Hα-helixtrans-64.8-44.9175-63.40000112.1V166 A167 Q168 E172 K173 E174V166-S170 PolarHBondContact O-N 2.95Å; V166-S170 VanDerWaalsContact O-N 3.1Å; V166-S170 PolarHBondContact O-OG 3.3Å; A167-S170 PolarHBondContact O-N 3.42Å; Q168-S170 VanDerWaalsContact C-N 3.34Å; Q168-S170 PolarHBondContact O-N 3.48Å; S170-E172 VanDerWaalsContact C-N 3.33Å; S170-E172 PolarHBondContact O-N 3.43Å; S170-K173 PolarHBondContact O-N 2.83Å; S170-E174 WeakPolarHBondContact O-CG 3.34Å; S170-E174 PolarHBondContact O-N 3.45Å
171I73.2Confident69.9Low106 Ų10694.7 Ų94.754%0.54447%0.468SS..Hα-helixtrans-66.2-37.1178.6-66165.7000111.3A167 Q168 E174 R175A167-I171 VanDerWaalsContact O-CG1 3.3Å; A167-I171 WeakPolarHBondContact O-CG1 3.22Å; A167-I171 PolarHBondContact O-N 3.12Å; Q168-I171 PolarHBondContact O-N 2.94Å; I171-E174 PolarHBondContact O-N 3.41Å; I171-R175 WeakPolarHBondContact O-CB 3.5Å; I171-R175 PolarHBondContact O-N 3.13Å
172E71.5Confident71.9Confident87 Ų8793.9 Ų93.941%0.40747%0.466SS..Hα-helixtrans-65.1-43.3177-76.6170.8176.400111.6Q168 C169 S170 E174 R175 D176Q168-E172 WeakPolarHBondContact O-CB 3.48Å; Q168-E172 WeakPolarHBondContact O-CG 3.35Å; Q168-E172 PolarHBondContact O-N 3.32Å; C169-E172 PolarHBondContact O-N 2.92Å; S170-E172 VanDerWaalsContact C-N 3.33Å; S170-E172 PolarHBondContact O-N 3.43Å; E172-E174 VanDerWaalsContact C-N 3.3Å; E172-E174 PolarHBondContact O-N 3.22Å; E172-R175 PolarHBondContact O-N 3.38Å; E172-D176 WeakPolarHBondContact O-CB 3.35Å; E172-D176 PolarHBondContact O-N 3.29Å
173K75.8Confident73.4Confident136 Ų13690.6 Ų90.659%0.59145%0.449SS*.Hα-helixtrans-59.4-43.1172.2-73.2176.1-178.8-176.90111.5C169 S170 D176 F177C169-K173 WeakPolarHBondContact O-CG 3.48Å; C169-K173 PolarHBondContact O-N 3.42Å; S170-K173 PolarHBondContact O-N 2.83Å; K173-D176 PolarHBondContact O-N 3.2Å; K173-F177 VanDerWaalsContact O-CB 3.3Å; K173-F177 WeakPolarHBondContact O-CB 3.42Å; K173-F177 PolarHBondContact O-N 3.47Å
174E76.2Confident75.1Confident96 Ų9687.6 Ų87.645%0.44944%0.438SS..Hα-helixtrans-63.6-46.3177.6-68.7-179169.200112.4S170 I171 E172 D176 F177 Y178 F215S170-E174 WeakPolarHBondContact O-CG 3.34Å; S170-E174 PolarHBondContact O-N 3.45Å; I171-E174 PolarHBondContact O-N 3.41Å; E172-E174 VanDerWaalsContact C-N 3.3Å; E172-E174 PolarHBondContact O-N 3.22Å; E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 3.41Å; E174-F177 PolarHBondContact O-N 3.02Å; E174-Y178 HydrophobicContact CB-CE2 4.33Å; E174-Y178 WeakPolarHBondContact O-CD2 3.4Å; E174-Y178 PolarHBondContact O-N 3.47Å; E174-F215 HydrophobicContact CB-CE1 3.92Å; E174-F215 HydrophobicContact CB-CZ 4.4Å; E174-F215 HydrophobicContact CG-CE1 3.6Å; E174-F215 HydrophobicContact CG-CZ 4.06Å
175R79.9Confident76.7Confident109 Ų10983.4 Ų83.441%0.41142%0.416SS..Hα-helixtrans-57.2-48.3175.9-177.4-161.367.9-154.5-7.1111.5N31 I171 E172 F177 Y178 Y179N31-R175 PolarHBondContact ND2-NH2 3.47Å; I171-R175 WeakPolarHBondContact O-CB 3.5Å; I171-R175 PolarHBondContact O-N 3.13Å; E172-R175 PolarHBondContact O-N 3.38Å; R175-F177 VanDerWaalsContact C-N 3.33Å; R175-Y178 PolarHBondContact O-N 3.31Å; R175-Y179 WeakPolarHBondContact O-CB 3.3Å; R175-Y179 PolarHBondContact O-N 2.91Å
176D80Confident78.4Confident81 Ų8181.7 Ų81.743%0.43341%0.408SS..Hα-helixtrans-68.9-35-175.7-66.2-8.9000111.3E172 K173 E174 Y179 G180E172-D176 WeakPolarHBondContact O-CB 3.35Å; E172-D176 PolarHBondContact O-N 3.29Å; K173-D176 PolarHBondContact O-N 3.2Å; E174-D176 VanDerWaalsContact C-N 3.34Å; E174-D176 PolarHBondContact O-N 3.41Å; D176-Y179 PolarHBondContact O-N 3.42Å; D176-G180 PolarHBondContact O-N 3.48Å
177F80.8Confident79.6Confident29 Ų2979.9 Ų79.913%0.12739%0.394CS..Hα-helixtrans-60.2-49.6171.4175.3-102000112.1K173 E174 R175 Y179 G180 K181 A210 E212 F215K173-F177 VanDerWaalsContact O-CB 3.3Å; K173-F177 WeakPolarHBondContact O-CB 3.42Å; K173-F177 PolarHBondContact O-N 3.47Å; E174-F177 PolarHBondContact O-N 3.02Å; R175-F177 VanDerWaalsContact C-N 3.33Å; F177-Y179 PolarHBondContact O-N 3.27Å; F177-G180 PolarHBondContact O-N 3.5Å; F177-K181 HydrophobicContact CE1-CD 4.19Å; F177-K181 HydrophobicContact CZ-CD 4.49Å; F177-K181 PolarHBondContact O-N 2.95Å; F177-A210 WeakPolarHBondContact CZ-O 3.4Å; F177-E212 HydrophobicContact CD2-CB 4.29Å; F177-E212 HydrophobicContact CD2-CG 4.35Å; F177-E212 HydrophobicContact CE2-CB 3.77Å; F177-E212 HydrophobicContact CE2-CG 3.84Å; F177-F215 HydrophobicContact CB-CD1 4.39Å; F177-F215 HydrophobicContact CB-CE1 3.66Å; F177-F215 HydrophobicContact CB-CE2 4.11Å; F177-F215 HydrophobicContact CB-CZ 3.49Å; F177-F215 VanDerWaalsContact CB-CZ 3.49Å; F177-F215 AromaticContact CD1-CD1 3.35Å; F177-F215 HydrophobicContact CD1-CD1 3.35Å; F177-F215 HydrophobicContact CD1-CD2 4.4Å; F177-F215 AromaticContact CD1-CE1 3.43Å; F177-F215 HydrophobicContact CD1-CE1 3.43Å; F177-F215 VanDerWaalsContact CD1-CE1 3.43Å; F177-F215 HydrophobicContact CD1-CE2 4.49Å; F177-F215 AromaticContact CD1-CG 3.85Å; F177-F215 HydrophobicContact CD1-CG 3.85Å; F177-F215 HydrophobicContact CD1-CZ 4.04Å; F177-F215 HydrophobicContact CD2-CD1 4.49Å; F177-F215 HydrophobicContact CD2-CD2 4.14Å; F177-F215 HydrophobicContact CD2-CE1 4.46Å; F177-F215 HydrophobicContact CD2-CE2 4.13Å; F177-F215 HydrophobicContact CD2-CG 4.32Å; F177-F215 HydrophobicContact CD2-CZ 4.3Å; F177-F215 HydrophobicContact CE1-CB 3.95Å; F177-F215 AromaticContact CE1-CD1 3.56Å; F177-F215 HydrophobicContact CE1-CD1 3.56Å; F177-F215 HydrophobicContact CE1-CD2 4.49Å; F177-F215 HydrophobicContact CE1-CE1 4.14Å; F177-F215 AromaticContact CE1-CG 3.75Å; F177-F215 HydrophobicContact CE1-CG 3.75Å; F177-F215 HydrophobicContact CE2-CD2 4.27Å; F177-F215 HydrophobicContact CE2-CG 4.26Å; F177-F215 AromaticContact CG-CD1 3.85Å; F177-F215 HydrophobicContact CG-CD1 3.85Å; F177-F215 HydrophobicContact CG-CD2 4.2Å; F177-F215 AromaticContact CG-CE1 3.61Å; F177-F215 HydrophobicContact CG-CE1 3.61Å; F177-F215 HydrophobicContact CG-CE2 4.01Å; F177-F215 HydrophobicContact CG-CG 4.12Å; F177-F215 AromaticContact CG-CZ 3.71Å; F177-F215 HydrophobicContact CG-CZ 3.71Å; F177-F215 HydrophobicContact CZ-CB 3.97Å; F177-F215 HydrophobicContact CZ-CD1 4.24Å; F177-F215 HydrophobicContact CZ-CD2 4.43Å; F177-F215 AromaticContact CZ-CG 3.96Å; F177-F215 HydrophobicContact CZ-CG 3.96Å
178Y87Confident81Confident122 Ų12279.3 Ų79.348%0.47838%0.382SS..Hα-helixtrans-67.6-35.3176.8-67.1-63.4000112.6E174 R175 K181 L182E174-Y178 HydrophobicContact CB-CE2 4.33Å; E174-Y178 WeakPolarHBondContact O-CD2 3.4Å; E174-Y178 PolarHBondContact O-N 3.47Å; R175-Y178 PolarHBondContact O-N 3.31Å; Y178-K181 HydrophobicContact CD1-CD 4.33Å; Y178-K181 PolarHBondContact O-N 3.47Å; Y178-L182 PolarHBondContact O-N 3.02Å
179Y84.8Confident82.2Confident144 Ų14477.4 Ų77.457%0.56538%0.378SS*.Hα-helixtrans-67.6-39.5176.4-169.9-95.4000112R175 D176 F177 K181 L182 R183R175-Y179 WeakPolarHBondContact O-CB 3.3Å; R175-Y179 PolarHBondContact O-N 2.91Å; D176-Y179 PolarHBondContact O-N 3.42Å; F177-Y179 PolarHBondContact O-N 3.27Å; Y179-K181 VanDerWaalsContact C-N 3.33Å; Y179-K181 PolarHBondContact O-N 2.89Å; Y179-L182 PolarHBondContact O-N 3.38Å; Y179-R183 WeakPolarHBondContact O-CB 3.41Å; Y179-R183 PolarHBondContact O-N 3Å
180G86.6Confident83.4Confident29 Ų2978.5 Ų78.530%0.29938%0.377SS..Hα-helixtrans-56.3-45.817300000111.9D176 F177 L182 R183 D184D176-G180 PolarHBondContact O-N 3.48Å; F177-G180 PolarHBondContact O-N 3.5Å; G180-L182 PolarHBondContact O-N 3.32Å; G180-R183 WeakPolarHBondContact O-CB 3.36Å; G180-R183 PolarHBondContact O-N 3.06Å; G180-R183 VanDerWaalsContact O-N 3.13Å; G180-D184 PolarHBondContact O-N 3.11Å
181K88.7Confident84.3Confident16 Ų1679.2 Ų79.27%0.0738%0.376CS..Hα-helixtrans-58.4-46.5174.8-67.8170.4174-77.30112.7F177 Y178 Y179 R183 D184 I185 I207 L208 A210F177-K181 HydrophobicContact CE1-CD 4.19Å; F177-K181 HydrophobicContact CZ-CD 4.49Å; F177-K181 PolarHBondContact O-N 2.95Å; Y178-K181 HydrophobicContact CD1-CD 4.33Å; Y178-K181 PolarHBondContact O-N 3.47Å; Y179-K181 VanDerWaalsContact C-N 3.33Å; Y179-K181 PolarHBondContact O-N 2.89Å; K181-R183 VanDerWaalsContact C-N 3.27Å; K181-R183 PolarHBondContact O-N 3.36Å; K181-D184 PolarHBondContact O-N 3.3Å; K181-I185 VanDerWaalsContact O-CG1 3.28Å; K181-I185 WeakPolarHBondContact O-CG1 3.26Å; K181-I185 PolarHBondContact O-N 2.87Å; K181-I207 HydrophobicContact CB-CG2 3.99Å; K181-I207 HydrophobicContact CG-CG2 4.35Å; K181-I207 PolarHBondContact NZ-O 3.34Å; K181-I207 VanDerWaalsContact O-CG2 3.27Å; K181-I207 WeakPolarHBondContact O-CG2 3.47Å; K181-L208 PolarHBondContact NZ-O 2.62Å; K181-A210 WeakPolarHBondContact CE-O 3.4Å; K181-A210 PolarHBondContact NZ-O 3.44Å
182L90Very high84.9Confident107 Ų10774.9 Ų74.956%0.5636%0.355SS*.Hα-helixtrans-63.4-36.2177.9-68.1176000111.7Y178 Y179 G180 I185 E186Y178-L182 PolarHBondContact O-N 3.02Å; Y179-L182 PolarHBondContact O-N 3.38Å; G180-L182 PolarHBondContact O-N 3.32Å; L182-I185 PolarHBondContact O-N 2.89Å; L182-E186 PolarHBondContact O-N 3.43Å
183R87.5Confident85.3Confident81 Ų8175.2 Ų75.231%0.30637%0.367SS..Hα-helixtrans-66.6-43.2175.5-179.658.6178.5168.97.8112.1Y179 G180 K181 I185 E186 I187Y179-R183 WeakPolarHBondContact O-CB 3.41Å; Y179-R183 PolarHBondContact O-N 3Å; G180-R183 WeakPolarHBondContact O-CB 3.36Å; G180-R183 PolarHBondContact O-N 3.06Å; G180-R183 VanDerWaalsContact O-N 3.13Å; K181-R183 VanDerWaalsContact C-N 3.27Å; K181-R183 PolarHBondContact O-N 3.36Å; R183-I185 VanDerWaalsContact C-N 3.29Å; R183-I185 PolarHBondContact O-N 3.28Å; R183-E186 WeakPolarHBondContact CD-OE2 2.97Å; R183-E186 IonicContact CZ-OE2 2.77Å; R183-E186 IonicContact NH1-OE1 2.68Å; R183-E186 PolarHBondContact NH1-OE1 3.09Å; R183-E186 IonicContact NH1-OE2 2.96Å; R183-E186 PolarHBondContact NH1-OE2 3.35Å; R183-E186 WeakPolarHBondContact O-CB 3.29Å; R183-E186 PolarHBondContact O-N 2.85Å; R183-I187 HydrophobicContact CG-CD1 4.07Å; R183-I187 WeakPolarHBondContact O-CG1 3.3Å; R183-I187 PolarHBondContact O-N 3.07Å
184D87.4Confident85.6Confident89 Ų8976 Ų7648%0.47637%0.373SS..Hα-helixtrans-62.8-38.1176-72.3-16.9000111.4G180 K181 I187 Y188 I207G180-D184 PolarHBondContact O-N 3.11Å; K181-D184 PolarHBondContact O-N 3.3Å; D184-I187 PolarHBondContact O-N 3.42Å; D184-Y188 VanDerWaalsContact O-CB 3.3Å; D184-Y188 WeakPolarHBondContact O-CB 3.45Å; D184-Y188 PolarHBondContact O-N 2.88Å; D184-I207 HydrophobicContact CB-CD1 4.08Å; D184-I207 HydrophobicContact CB-CG1 4.35Å; D184-I207 HydrophobicContact CB-CG2 3.76Å
185I89.6Confident85.7Confident28 Ų2875.6 Ų75.614%0.14438%0.38CS..Hα-helixtrans-64.5-44.4173.2-66.9164.1000110.9K181 L182 R183 I187 Y188 V189 V204 I207 L208K181-I185 VanDerWaalsContact O-CG1 3.28Å; K181-I185 WeakPolarHBondContact O-CG1 3.26Å; K181-I185 PolarHBondContact O-N 2.87Å; L182-I185 PolarHBondContact O-N 2.89Å; R183-I185 VanDerWaalsContact C-N 3.29Å; R183-I185 PolarHBondContact O-N 3.28Å; I185-I187 PolarHBondContact O-N 3.2Å; I185-Y188 PolarHBondContact O-N 3.42Å; I185-V189 HydrophobicContact CG2-CG2 4.33Å; I185-V189 VanDerWaalsContact O-CG2 3.29Å; I185-V189 WeakPolarHBondContact O-CG2 3.28Å; I185-V189 PolarHBondContact O-N 3.35Å; I185-V204 HydrophobicContact CD1-CG1 4.06Å; I185-V204 HydrophobicContact CG1-CG1 4.16Å; I185-V204 HydrophobicContact CG2-CG1 4.3Å; I185-V204 HydrophobicContact CG2-CG2 4.42Å; I185-I207 HydrophobicContact CD1-CG2 4.25Å; I185-I207 HydrophobicContact CG1-CB 4.07Å; I185-I207 HydrophobicContact CG1-CD1 4.03Å; I185-I207 HydrophobicContact CG1-CG2 3.79Å; I185-L208 HydrophobicContact CD1-CD1 4.49Å; I185-L208 HydrophobicContact CD1-CD2 3.56Å; I185-L208 HydrophobicContact CD1-CG 3.78Å
186E90.3Very high85.4Confident81 Ų8179.1 Ų79.138%0.37940%0.401SS..Hα-helixtrans-58.3-48.5177.4-172.2-161.9168.400111.2L182 R183 Y188 V189 Q190L182-E186 PolarHBondContact O-N 3.43Å; R183-E186 WeakPolarHBondContact CD-OE2 2.97Å; R183-E186 IonicContact CZ-OE2 2.77Å; R183-E186 IonicContact NH1-OE1 2.68Å; R183-E186 PolarHBondContact NH1-OE1 3.09Å; R183-E186 IonicContact NH1-OE2 2.96Å; R183-E186 PolarHBondContact NH1-OE2 3.35Å; R183-E186 WeakPolarHBondContact O-CB 3.29Å; R183-E186 PolarHBondContact O-N 2.85Å; E186-Y188 VanDerWaalsContact C-N 3.33Å; E186-Y188 PolarHBondContact O-N 3.45Å; E186-V189 PolarHBondContact O-N 2.91Å; E186-Q190 WeakPolarHBondContact O-CB 3.27Å; E186-Q190 WeakPolarHBondContact O-CG 3.34Å; E186-Q190 PolarHBondContact O-N 3.1Å; E186-Q190 PolarHBondContact OE1-NE2 2.89Å
187I87.7Confident85.3Confident59 Ų5980.8 Ų80.830%0.30341%0.406SS..Hα-helixtrans-61.4-44177.5-67.7167.1000110.3R183 D184 I185 V189 Q190 N191R183-I187 HydrophobicContact CG-CD1 4.07Å; R183-I187 WeakPolarHBondContact O-CG1 3.3Å; R183-I187 PolarHBondContact O-N 3.07Å; D184-I187 PolarHBondContact O-N 3.42Å; I185-I187 PolarHBondContact O-N 3.2Å; I187-V189 PolarHBondContact O-N 3.06Å; I187-Q190 PolarHBondContact O-N 3.36Å; I187-N191 WeakPolarHBondContact O-CB 3.39Å; I187-N191 VanDerWaalsContact O-CG 3.24Å; I187-N191 PolarHBondContact O-N 3.32Å; I187-N191 PolarHBondContact O-ND2 3.5Å
188Y89.4Confident85.5Confident37 Ų3783.5 Ų83.515%0.14543%0.427CS..Hα-helixtrans-58.7-47.5177.4175.6-114000111.9D184 I185 E186 Q190 N191 C192 F199 K200 K203 V204D184-Y188 VanDerWaalsContact O-CB 3.3Å; D184-Y188 WeakPolarHBondContact O-CB 3.45Å; D184-Y188 PolarHBondContact O-N 2.88Å; I185-Y188 PolarHBondContact O-N 3.42Å; E186-Y188 VanDerWaalsContact C-N 3.33Å; E186-Y188 PolarHBondContact O-N 3.45Å; Y188-Q190 PolarHBondContact O-N 2.95Å; Y188-N191 PolarHBondContact O-N 3.44Å; Y188-C192 VanDerWaalsContact CZ-SG 3.56Å; Y188-C192 PolarHBondContact O-N 3.06Å; Y188-C192 PolarHBondContact O-SG 3.1Å; Y188-C192 VanDerWaalsContact O-SG 3.42Å; Y188-F199 HydrophobicContact CD1-CE2 4.25Å; Y188-F199 AromaticContact CE1-CD2 3.84Å; Y188-F199 HydrophobicContact CE1-CD2 3.84Å; Y188-F199 AromaticContact CE1-CE2 3.81Å; Y188-F199 HydrophobicContact CE1-CE2 3.81Å; Y188-K200 WeakPolarHBondContact OH-CA 3.35Å; Y188-K200 WeakPolarHBondContact OH-CB 3.32Å; Y188-K200 PolarHBondContact OH-N 2.96Å; Y188-K200 PolarHBondContact OH-O 3.06Å; Y188-K203 HydrophobicContact CD1-CB 4.43Å; Y188-K203 HydrophobicContact CD1-CG 4.49Å; Y188-K203 HydrophobicContact CD2-CB 4.46Å; Y188-K203 HydrophobicContact CD2-CG 3.89Å; Y188-K203 HydrophobicContact CE1-CB 3.9Å; Y188-K203 HydrophobicContact CE1-CG 4.34Å; Y188-K203 HydrophobicContact CE2-CB 3.96Å; Y188-K203 HydrophobicContact CE2-CG 3.75Å; Y188-K203 HydrophobicContact CG-CG 4.29Å; Y188-V204 HydrophobicContact CD1-CG2 3.81Å; Y188-V204 HydrophobicContact CE1-CG2 3.93Å
189V88.7Confident85.6Confident69 Ų6983.4 Ų83.442%0.41843%0.429SS..Hα-helixtrans-64.7-39.1178.7172.60000111.6I185 E186 I187 C192 S193 F199I185-V189 HydrophobicContact CG2-CG2 4.33Å; I185-V189 VanDerWaalsContact O-CG2 3.29Å; I185-V189 WeakPolarHBondContact O-CG2 3.28Å; I185-V189 PolarHBondContact O-N 3.35Å; E186-V189 PolarHBondContact O-N 2.91Å; I187-V189 PolarHBondContact O-N 3.06Å; V189-C192 PolarHBondContact O-N 3.46Å; V189-S193 PolarHBondContact O-N 3.32Å; V189-F199 HydrophobicContact CG2-CD2 4.5Å; V189-F199 HydrophobicContact CG2-CE2 3.96Å
190Q88.3Confident85.8Confident79 Ų7981.6 Ų81.637%0.36942%0.424SS..Hα-helixtrans-64.1-43.5174.8-74.7170.7-0.600111.7E186 I187 Y188 C192 S193 E194E186-Q190 WeakPolarHBondContact O-CB 3.27Å; E186-Q190 WeakPolarHBondContact O-CG 3.34Å; E186-Q190 PolarHBondContact O-N 3.1Å; E186-Q190 PolarHBondContact OE1-NE2 2.89Å; I187-Q190 PolarHBondContact O-N 3.36Å; Y188-Q190 PolarHBondContact O-N 2.95Å; Q190-C192 VanDerWaalsContact C-N 3.34Å; Q190-C192 PolarHBondContact O-N 3.43Å; Q190-S193 PolarHBondContact O-N 3.43Å; Q190-S193 VanDerWaalsContact O-N 3.12Å; Q190-S193 PolarHBondContact O-OG 3.38Å; Q190-E194 PolarHBondContact O-N 2.83Å
191N86.9Confident85.9Confident79 Ų7983 Ų8342%0.42243%0.43SS..Hα-helixtrans-65.4-37.4178.2-70.1-20.6000112.4I187 Y188 S193 E194 S195I187-N191 WeakPolarHBondContact O-CB 3.39Å; I187-N191 VanDerWaalsContact O-CG 3.24Å; I187-N191 PolarHBondContact O-N 3.32Å; I187-N191 PolarHBondContact O-ND2 3.5Å; Y188-N191 PolarHBondContact O-N 3.44Å; N191-S193 VanDerWaalsContact C-N 3.28Å; N191-S193 PolarHBondContact O-N 3.03Å; N191-E194 PolarHBondContact O-N 3.36Å; N191-S195 WeakPolarHBondContact O-CB 3.48Å; N191-S195 PolarHBondContact O-N 3.24Å; N191-S195 PolarHBondContact O-OG 3.36Å
192C86.8Confident85.8Confident15 Ų1588.1 Ų88.110%0.10145%0.454CS..Hα-helixtrans-61.2-37.3173-72.70000112.1Y188 V189 Q190 Q196 E197Y188-C192 VanDerWaalsContact CZ-SG 3.56Å; Y188-C192 PolarHBondContact O-N 3.06Å; Y188-C192 PolarHBondContact O-SG 3.1Å; Y188-C192 VanDerWaalsContact O-SG 3.42Å; V189-C192 PolarHBondContact O-N 3.46Å; Q190-C192 VanDerWaalsContact C-N 3.34Å; Q190-C192 PolarHBondContact O-N 3.43Å; C192-Q196 WeakPolarHBondContact O-CA 3.28Å; C192-Q196 PolarHBondContact O-N 3.14Å; C192-E197 PolarHBondContact O-N 3.49Å
193S78.8Confident85.7Confident94 Ų9487 Ų8766%0.65744%0.444SS*.Hα-helixtrans-76.6-34.2179.370.10000113.1V189 Q190 N191V189-S193 PolarHBondContact O-N 3.32Å; Q190-S193 PolarHBondContact O-N 3.43Å; Q190-S193 VanDerWaalsContact O-N 3.12Å; Q190-S193 PolarHBondContact O-OG 3.38Å; N191-S193 VanDerWaalsContact C-N 3.28Å; N191-S193 PolarHBondContact O-N 3.03Å
194E83Confident85.8Confident153 Ų15384.3 Ų84.372%0.71544%0.437SS*.Hα-helixtrans-79.1-42.6179-71.3-177.7-173.500113.5Q190 N191Q190-E194 PolarHBondContact O-N 2.83Å; N191-E194 PolarHBondContact O-N 3.36Å
195S77.2Confident85.7Confident86 Ų8683.9 Ų83.960%0.60143%0.434SS*.Hα-helixtrans-90.3-1.8-176.2-59.90000113.5N191 E197N191-S195 WeakPolarHBondContact O-CB 3.48Å; N191-S195 PolarHBondContact O-N 3.24Å; N191-S195 PolarHBondContact O-OG 3.36Å; S195-E197 PolarHBondContact O-N 3.45Å; S195-E197 VanDerWaalsContact O-N 3.14Å
196Q74.3Confident85.6Confident184 Ų18488 Ų8886%0.8645%0.453SS*.  trans56.624.9-175.2-151.5170.7-7.700112.9C192C192-Q196 WeakPolarHBondContact O-CA 3.28Å; C192-Q196 PolarHBondContact O-N 3.14Å
197E77.6Confident85.5Confident115 Ų11585.2 Ų85.254%0.53744%0.44SS..PPolyproline II helixtrans-71.8140.4174.7-80.6-112.1146.900109.9C192 S195 F199C192-E197 PolarHBondContact O-N 3.49Å; S195-E197 PolarHBondContact O-N 3.45Å; S195-E197 VanDerWaalsContact O-N 3.14Å; E197-F199 PolarHBondContact O-N 2.77Å
198P85.1Confident85.4Confident86 Ų8686.2 Ų86.256%0.55845%0.446SS*.PPolyproline II helixtrans-61.6129.2176.425.5-32.5000110.1K200P198-K200 PolarHBondContact O-N 3.5Å
199F89.3Confident85.2Confident120 Ų12090.2 Ų90.253%0.52646%0.462SS..PPolyproline II helixtrans-63.3126172.1176.3-96000109.8Y188 V189 E197 V204Y188-F199 HydrophobicContact CD1-CE2 4.25Å; Y188-F199 AromaticContact CE1-CD2 3.84Å; Y188-F199 HydrophobicContact CE1-CD2 3.84Å; Y188-F199 AromaticContact CE1-CE2 3.81Å; Y188-F199 HydrophobicContact CE1-CE2 3.81Å; V189-F199 HydrophobicContact CG2-CD2 4.5Å; V189-F199 HydrophobicContact CG2-CE2 3.96Å; E197-F199 PolarHBondContact O-N 2.77Å; F199-V204 HydrophobicContact CE2-CG2 3.74Å; F199-V204 HydrophobicContact CZ-CG2 3.67Å
200K89.4Confident84.9Confident106 Ų10689.5 Ų89.546%0.46146%0.463SS..  trans-115110.4179.7-64.6174.8-174.8168.60108.6Y188 P198 E202 K203Y188-K200 WeakPolarHBondContact OH-CA 3.35Å; Y188-K200 WeakPolarHBondContact OH-CB 3.32Å; Y188-K200 PolarHBondContact OH-N 2.96Å; Y188-K200 PolarHBondContact OH-O 3.06Å; P198-K200 PolarHBondContact O-N 3.5Å; K200-E202 WeakPolarHBondContact CB-OE2 3.3Å; K200-E202 PolarHBondContact O-N 3.37Å; K200-K203 PolarHBondContact O-N 3.03Å; K200-K203 VanDerWaalsContact O-N 3.09Å
201S88Confident84.4Confident59 Ų5990 Ų9041%0.41347%0.471SS..Hα-helixtrans-56.1-31.3174.633.50000112.2K203 V204 L205S201-K203 PolarHBondContact O-N 3.27Å; S201-V204 PolarHBondContact O-N 2.99Å; S201-V204 VanDerWaalsContact O-N 3.15Å; S201-L205 WeakPolarHBondContact O-CG 3.36Å; S201-L205 PolarHBondContact O-N 3.15Å
202E87.7Confident83.5Confident123 Ų12392.4 Ų92.458%0.57548%0.48SS*.Hα-helixtrans-59.1-36.4179.2-5969-141.900111.2K200 L205 E206K200-E202 WeakPolarHBondContact CB-OE2 3.3Å; K200-E202 PolarHBondContact O-N 3.37Å; E202-L205 PolarHBondContact O-N 3.47Å; E202-E206 WeakPolarHBondContact O-CB 3.43Å; E202-E206 PolarHBondContact O-N 3.16Å
203K86.3Confident81.9Confident84 Ų84101.6 Ų101.637%0.36552%0.521SS..Hα-helixtrans-72.6-35.6-179.8-165.165.9-171.1167.80112.2Y188 K200 S201 E206 I207Y188-K203 HydrophobicContact CD1-CB 4.43Å; Y188-K203 HydrophobicContact CD1-CG 4.49Å; Y188-K203 HydrophobicContact CD2-CB 4.46Å; Y188-K203 HydrophobicContact CD2-CG 3.89Å; Y188-K203 HydrophobicContact CE1-CB 3.9Å; Y188-K203 HydrophobicContact CE1-CG 4.34Å; Y188-K203 HydrophobicContact CE2-CB 3.96Å; Y188-K203 HydrophobicContact CE2-CG 3.75Å; Y188-K203 HydrophobicContact CG-CG 4.29Å; K200-K203 PolarHBondContact O-N 3.03Å; K200-K203 VanDerWaalsContact O-N 3.09Å; S201-K203 PolarHBondContact O-N 3.27Å; K203-E206 VanDerWaalsContact CD-OE2 3.28Å; K203-E206 WeakPolarHBondContact CD-OE2 3.38Å; K203-E206 IonicContact NZ-OE1 2.67Å; K203-E206 PolarHBondContact NZ-OE1 3.09Å; K203-E206 IonicContact NZ-OE2 2.64Å; K203-E206 PolarHBondContact NZ-OE2 3.42Å; K203-E206 PolarHBondContact O-N 3.2Å; K203-I207 VanDerWaalsContact O-CG1 3.32Å; K203-I207 WeakPolarHBondContact O-CG1 3.39Å; K203-I207 PolarHBondContact O-N 3.4Å; K203-I207 VanDerWaalsContact O-N 3.14Å
204V89.2Confident80.9Confident24 Ų24100.9 Ų100.915%0.14553%0.529CS..Hα-helixtrans-65.4-44.4173.1175.80000110.5I185 Y188 F199 S201 E206 I207 L208I185-V204 HydrophobicContact CD1-CG1 4.06Å; I185-V204 HydrophobicContact CG1-CG1 4.16Å; I185-V204 HydrophobicContact CG2-CG1 4.3Å; I185-V204 HydrophobicContact CG2-CG2 4.42Å; Y188-V204 HydrophobicContact CD1-CG2 3.81Å; Y188-V204 HydrophobicContact CE1-CG2 3.93Å; F199-V204 HydrophobicContact CE2-CG2 3.74Å; F199-V204 HydrophobicContact CZ-CG2 3.67Å; S201-V204 PolarHBondContact O-N 2.99Å; S201-V204 VanDerWaalsContact O-N 3.15Å; V204-E206 VanDerWaalsContact C-N 3.35Å; V204-E206 PolarHBondContact O-N 3.5Å; V204-I207 PolarHBondContact O-N 3.28Å; V204-L208 HydrophobicContact CG1-CD1 4.03Å; V204-L208 HydrophobicContact CG1-CG 4.44Å; V204-L208 WeakPolarHBondContact O-CG 3.09Å; V204-L208 PolarHBondContact O-N 2.96Å
205L86.8Confident79.9Confident81 Ų8195.5 Ų95.542%0.42450%0.503SS..Hα-helixtrans-62.1-43.3176.4-64.1171.1000110.9S201 E202 I207 L208 Y209S201-L205 WeakPolarHBondContact O-CG 3.36Å; S201-L205 PolarHBondContact O-N 3.15Å; E202-L205 PolarHBondContact O-N 3.47Å; L205-I207 VanDerWaalsContact C-N 3.3Å; L205-I207 PolarHBondContact O-N 2.83Å; L205-L208 PolarHBondContact O-N 2.86Å; L205-L208 VanDerWaalsContact O-N 3.16Å; L205-Y209 HydrophobicContact CB-CD2 4.02Å; L205-Y209 HydrophobicContact CB-CE2 4.11Å; L205-Y209 HydrophobicContact CD2-CE2 3.81Å; L205-Y209 HydrophobicContact CG-CE2 4.49Å; L205-Y209 WeakPolarHBondContact O-CB 3.41Å; L205-Y209 WeakPolarHBondContact O-CD2 3.45Å; L205-Y209 PolarHBondContact O-N 2.97Å
206E86.9Confident78.9Confident114 Ų11495.4 Ų95.453%0.53351%0.508SS..Hα-helixtrans-55.1-45175.5-169.6-171.2152.800111.8E202 K203 V204 A210E202-E206 WeakPolarHBondContact O-CB 3.43Å; E202-E206 PolarHBondContact O-N 3.16Å; K203-E206 VanDerWaalsContact CD-OE2 3.28Å; K203-E206 WeakPolarHBondContact CD-OE2 3.38Å; K203-E206 IonicContact NZ-OE1 2.67Å; K203-E206 PolarHBondContact NZ-OE1 3.09Å; K203-E206 IonicContact NZ-OE2 2.64Å; K203-E206 PolarHBondContact NZ-OE2 3.42Å; K203-E206 PolarHBondContact O-N 3.2Å; V204-E206 VanDerWaalsContact C-N 3.35Å; V204-E206 PolarHBondContact O-N 3.5Å; E206-A210 WeakPolarHBondContact O-CB 3.45Å; E206-A210 PolarHBondContact O-N 2.73Å
207I87.5Confident78.1Confident23 Ų2388.9 Ų88.912%0.11849%0.485CS..Hα-helixtrans-65.1-46176.8-64161.8000111.1K181 D184 I185 K203 V204 L205 Y209K181-I207 HydrophobicContact CB-CG2 3.99Å; K181-I207 HydrophobicContact CG-CG2 4.35Å; K181-I207 PolarHBondContact NZ-O 3.34Å; K181-I207 VanDerWaalsContact O-CG2 3.27Å; K181-I207 WeakPolarHBondContact O-CG2 3.47Å; D184-I207 HydrophobicContact CB-CD1 4.08Å; D184-I207 HydrophobicContact CB-CG1 4.35Å; D184-I207 HydrophobicContact CB-CG2 3.76Å; I185-I207 HydrophobicContact CD1-CG2 4.25Å; I185-I207 HydrophobicContact CG1-CB 4.07Å; I185-I207 HydrophobicContact CG1-CD1 4.03Å; I185-I207 HydrophobicContact CG1-CG2 3.79Å; K203-I207 VanDerWaalsContact O-CG1 3.32Å; K203-I207 WeakPolarHBondContact O-CG1 3.39Å; K203-I207 PolarHBondContact O-N 3.4Å; K203-I207 VanDerWaalsContact O-N 3.14Å; V204-I207 PolarHBondContact O-N 3.28Å; L205-I207 VanDerWaalsContact C-N 3.3Å; L205-I207 PolarHBondContact O-N 2.83Å; I207-Y209 PolarHBondContact O-N 2.9Å
208L86.3Confident77Confident80 Ų8087.8 Ų87.842%0.41949%0.489SS..Hα-helixtrans-62.5-42.4-179.8-72.5173.8000111.8K181 I185 V204 L205K181-L208 PolarHBondContact NZ-O 2.62Å; I185-L208 HydrophobicContact CD1-CD1 4.49Å; I185-L208 HydrophobicContact CD1-CD2 3.56Å; I185-L208 HydrophobicContact CD1-CG 3.78Å; V204-L208 HydrophobicContact CG1-CD1 4.03Å; V204-L208 HydrophobicContact CG1-CG 4.44Å; V204-L208 WeakPolarHBondContact O-CG 3.09Å; V204-L208 PolarHBondContact O-N 2.96Å; L205-L208 PolarHBondContact O-N 2.86Å; L205-L208 VanDerWaalsContact O-N 3.16Å
209Y84.3Confident75.3Confident121 Ų12190.1 Ų90.148%0.47550%0.496SS..Hα-helixtrans-88.8-6.3-176.2-68.3-66.9000114.9L205 I207 T211L205-Y209 HydrophobicContact CB-CD2 4.02Å; L205-Y209 HydrophobicContact CB-CE2 4.11Å; L205-Y209 HydrophobicContact CD2-CE2 3.81Å; L205-Y209 HydrophobicContact CG-CE2 4.49Å; L205-Y209 WeakPolarHBondContact O-CB 3.41Å; L205-Y209 WeakPolarHBondContact O-CD2 3.45Å; L205-Y209 PolarHBondContact O-N 2.97Å; I207-Y209 PolarHBondContact O-N 2.9Å; Y209-T211 PolarHBondContact O-N 2.97Å
210A82.9Confident73.5Confident54 Ų5491.2 Ų91.245%0.44651%0.508SS..  trans-54.6134.2174.600000111.4F177 K181 E206F177-A210 WeakPolarHBondContact CZ-O 3.4Å; K181-A210 WeakPolarHBondContact CE-O 3.4Å; K181-A210 PolarHBondContact NZ-O 3.44Å; E206-A210 WeakPolarHBondContact O-CB 3.45Å; E206-A210 PolarHBondContact O-N 2.73Å
211T78.3Confident71.4Confident89 Ų8993 Ų9355%0.54652%0.522SS..  trans-116.6137.6178.149.40000110.4Y209 A217Y209-T211 PolarHBondContact O-N 2.97Å; T211-A217 HydrophobicContact CG2-CB 3.81Å
212E68.1Low69.5Low129 Ų12996.4 Ų96.460%0.60354%0.54SS*.  trans-103.6159.4166.9-81.3-172.6166.200110.1F177 G214 F215F177-E212 HydrophobicContact CD2-CB 4.29Å; F177-E212 HydrophobicContact CD2-CG 4.35Å; F177-E212 HydrophobicContact CE2-CB 3.77Å; F177-E212 HydrophobicContact CE2-CG 3.84Å; E212-G214 PolarHBondContact O-N 3.39Å; E212-F215 HydrophobicContact CB-CD2 4.12Å; E212-F215 PolarHBondContact O-N 3.04Å
213E53.7Low67.2Low208 Ų20899.7 Ų99.797%0.97255%0.553SS**THydrogen-bonded Turntrans-57.2112179.8-130.8-176.2-178.100110.3
214G57.7Low64.7Low80 Ų8099.3 Ų99.383%0.82557%0.573SS**THydrogen-bonded Turntrans107.4-0-175.800000115.6E212E212-G214 PolarHBondContact O-N 3.39Å
215F60.7Low62.2Low39 Ų39103 Ų10317%0.17160%0.595CS.*  trans-115.2128.3177.5-74.1-89.1000111.8E174 F177 E212E174-F215 HydrophobicContact CB-CE1 3.92Å; E174-F215 HydrophobicContact CB-CZ 4.4Å; E174-F215 HydrophobicContact CG-CE1 3.6Å; E174-F215 HydrophobicContact CG-CZ 4.06Å; F177-F215 HydrophobicContact CB-CD1 4.39Å; F177-F215 HydrophobicContact CB-CE1 3.66Å; F177-F215 HydrophobicContact CB-CE2 4.11Å; F177-F215 HydrophobicContact CB-CZ 3.49Å; F177-F215 VanDerWaalsContact CB-CZ 3.49Å; F177-F215 AromaticContact CD1-CD1 3.35Å; F177-F215 HydrophobicContact CD1-CD1 3.35Å; F177-F215 HydrophobicContact CD1-CD2 4.4Å; F177-F215 AromaticContact CD1-CE1 3.43Å; F177-F215 HydrophobicContact CD1-CE1 3.43Å; F177-F215 VanDerWaalsContact CD1-CE1 3.43Å; F177-F215 HydrophobicContact CD1-CE2 4.49Å; F177-F215 AromaticContact CD1-CG 3.85Å; F177-F215 HydrophobicContact CD1-CG 3.85Å; F177-F215 HydrophobicContact CD1-CZ 4.04Å; F177-F215 HydrophobicContact CD2-CD1 4.49Å; F177-F215 HydrophobicContact CD2-CD2 4.14Å; F177-F215 HydrophobicContact CD2-CE1 4.46Å; F177-F215 HydrophobicContact CD2-CE2 4.13Å; F177-F215 HydrophobicContact CD2-CG 4.32Å; F177-F215 HydrophobicContact CD2-CZ 4.3Å; F177-F215 HydrophobicContact CE1-CB 3.95Å; F177-F215 AromaticContact CE1-CD1 3.56Å; F177-F215 HydrophobicContact CE1-CD1 3.56Å; F177-F215 HydrophobicContact CE1-CD2 4.49Å; F177-F215 HydrophobicContact CE1-CE1 4.14Å; F177-F215 AromaticContact CE1-CG 3.75Å; F177-F215 HydrophobicContact CE1-CG 3.75Å; F177-F215 HydrophobicContact CE2-CD2 4.27Å; F177-F215 HydrophobicContact CE2-CG 4.26Å; F177-F215 AromaticContact CG-CD1 3.85Å; F177-F215 HydrophobicContact CG-CD1 3.85Å; F177-F215 HydrophobicContact CG-CD2 4.2Å; F177-F215 AromaticContact CG-CE1 3.61Å; F177-F215 HydrophobicContact CG-CE1 3.61Å; F177-F215 HydrophobicContact CG-CE2 4.01Å; F177-F215 HydrophobicContact CG-CG 4.12Å; F177-F215 AromaticContact CG-CZ 3.71Å; F177-F215 HydrophobicContact CG-CZ 3.71Å; F177-F215 HydrophobicContact CZ-CB 3.97Å; F177-F215 HydrophobicContact CZ-CD1 4.24Å; F177-F215 HydrophobicContact CZ-CD2 4.43Å; F177-F215 AromaticContact CZ-CG 3.96Å; F177-F215 HydrophobicContact CZ-CG 3.96Å; E212-F215 HydrophobicContact CB-CD2 4.12Å; E212-F215 PolarHBondContact O-N 3.04Å
216A57.1Low60Low85 Ų85107.9 Ų107.970%0.70261%0.613SS**PPolyproline II helixtrans-89.6129.6173.800000110.2
217A57Low57.7Low46 Ų46109 Ų10938%0.3862%0.623SS.*PPolyproline II helixtrans-62.5141.816400000108.6T211 D219T211-A217 HydrophobicContact CG2-CB 3.81Å; A217-D219 PolarHBondContact O-N 3.32Å
218P54.4Low55.6Low93 Ų93116.3 Ų116.360%0.60466%0.656SS**PPolyproline II helixtrans-57.1130.5175.423-30.9000109.1N220P218-N220 PolarHBondContact O-N 3.27Å
219D49.7Very low53.8Low135 Ų135121.4 Ų121.472%0.72268%0.678SS**PPolyproline II helixtrans-52.2132.9175.8-68.5-40.7000109.1A217 D221A217-D219 PolarHBondContact O-N 3.32Å; D219-D221 PolarHBondContact O-N 2.78Å
220N51.4Low51.9Low142 Ų142129.8 Ų129.876%0.75971%0.711SS**THydrogen-bonded Turntrans-63.611.9-175.8-85-29000114.7P218P218-N220 PolarHBondContact O-N 3.27Å
221D46.1Very low50.3Low143 Ų143133.6 Ų133.677%0.76572%0.724SS**THydrogen-bonded Turntrans-105.68.5-165.6-64.1-21.2000114.3D219D219-D221 PolarHBondContact O-N 2.78Å
222V47.2Very low48.9Very low131 Ų131135.9 Ų135.979%0.79473%0.733SS**SBendtrans-101.30.2-176.7-1740000114.4
223F39Very low47.8Very low193 Ų193136.3 Ų136.385%0.84674%0.741SS**  trans-105.582.8162.5-85.3-88.6000109.5V225F223-V225 PolarHBondContact O-N 2.81Å
224G34.7Very low47.5Very low75 Ų75132.1 Ų132.177%0.77373%0.727SS**  trans-63.284.3159.300000109K226G224-K226 VanDerWaalsContact C-N 3.27Å; G224-K226 PolarHBondContact O-N 2.91Å
225V37.4Very low46.8Very low103 Ų103135.4 Ų135.462%0.62472%0.721SS**  trans-62.397.7160.8-176.40000105.2F223 D227F223-V225 PolarHBondContact O-N 2.81Å; V225-D227 WeakPolarHBondContact CG1-OD1 3.19Å; V225-D227 PolarHBondContact O-N 2.95Å; V225-D227 VanDerWaalsContact O-N 3.07Å
226K40.5Very low45.9Very low182 Ų182141.8 Ų141.879%0.79176%0.758SS**  trans-71.293.8156.3-78.8-175.1175.4-178.70105.3G224 E228G224-K226 VanDerWaalsContact C-N 3.27Å; G224-K226 PolarHBondContact O-N 2.91Å; K226-E228 PolarHBondContact O-N 3.07Å
227D38.8Very low45.1Very low138 Ų138145.9 Ų145.974%0.73876%0.762SS**  trans-60.792.9158.7-69.7-42.7000106.6V225 E229V225-D227 WeakPolarHBondContact CG1-OD1 3.19Å; V225-D227 PolarHBondContact O-N 2.95Å; V225-D227 VanDerWaalsContact O-N 3.07Å; D227-E229 PolarHBondContact O-N 3.14Å; D227-E229 VanDerWaalsContact O-N 3.14Å
228E42.1Very low44.2Very low177 Ų177153.5 Ų153.583%0.82779%0.791SS**  trans-76.886.4160.3-78.4-173.1173.400106.8K226K226-E228 PolarHBondContact O-N 3.07Å
229E48.6Very low43.3Very low187 Ų187158.6 Ų158.687%0.87481%0.807SS**  trans-71.5124.3166.6-141.7175.9-168.400108.5D227D227-E229 PolarHBondContact O-N 3.14Å; D227-E229 VanDerWaalsContact O-N 3.14Å
230Y44.4Very low42.7Very low297 Ų297160.7 Ų160.7100%1.16581%0.814SS**  trans-85.20167.3-113.2-82.7000110.4

Retrieved 230 of 230 residues in 398.1 ms (Link to these results)

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