A0A5K4FC38_SCHMA Loading...

Zinc transporter ZIP10

AlphaFold DB , UniProt , Accession A0A5K4FC38, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 534 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
1M58.6Low62.1Low122 Ų122121.7 Ų121.760%0.60163%0.625SS**  0-51.80-160.1170.9-155.100111.7D3 L4 F5 T23M1-D3 PolarHBondContact O-N 3.48Å; M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3.12Å; M1-F5 HydrophobicContact CE-CE2 3.76Å; M1-F5 HydrophobicContact CE-CZ 4.47Å; M1-F5 HydrophobicContact CG-CD2 3.98Å; M1-F5 HydrophobicContact CG-CE2 4.01Å; M1-F5 PolarHBondContact O-N 2.87Å; M1-T23 HydrophobicContact CE-CG2 3.51Å; M1-T23 HydrophobicContact SD-CG2 3.68Å
2F60.3Low62.8Low122 Ų122115.5 Ų115.554%0.53559%0.593SS.*Hα-helixtrans-43.2-56.9174.8-112.7-106.8000113.7L4 F5 Y6 I12F2-L4 PolarHBondContact O-N 3.43Å; F2-F5 PolarHBondContact O-N 3.12Å; F2-Y6 PolarHBondContact O-N 3.1Å; F2-I12 HydrophobicContact CD1-CD1 4.35Å; F2-I12 HydrophobicContact CE1-CD1 3.4Å; F2-I12 VanDerWaalsContact CE1-CD1 3.4Å; F2-I12 HydrophobicContact CE1-CG1 4.05Å; F2-I12 HydrophobicContact CE2-CD1 4.05Å; F2-I12 HydrophobicContact CZ-CD1 3.24Å; F2-I12 HydrophobicContact CZ-CG1 4.28Å
3D62.2Low64Low139 Ų139115.4 Ų115.474%0.74360%0.595SS**Hα-helixtrans-60.9-20.8-178.2-45.4-51.4000113.9M1M1-D3 PolarHBondContact O-N 3.48Å
4L63.4Low65.2Low148 Ų148118.1 Ų118.178%0.77560%0.604SS**Hα-helixtrans-89-25.4-174.7-146.6148.1000111.9M1 F2M1-L4 WeakPolarHBondContact O-CB 3.43Å; M1-L4 PolarHBondContact O-N 3.12Å; F2-L4 PolarHBondContact O-N 3.43Å
5F64.9Low66.4Low123 Ų123117.9 Ų117.954%0.53961%0.61SS.*Hα-helixtrans-102.3-31.7176.9-78.4-86.2000113.5M1 F2 P7M1-F5 HydrophobicContact CE-CE2 3.76Å; M1-F5 HydrophobicContact CE-CZ 4.47Å; M1-F5 HydrophobicContact CG-CD2 3.98Å; M1-F5 HydrophobicContact CG-CE2 4.01Å; M1-F5 PolarHBondContact O-N 2.87Å; F2-F5 PolarHBondContact O-N 3.12Å; F5-P7 VanDerWaalsContact C-CD 3.49Å
6Y64.4Low67.3Low55 Ų55113.5 Ų113.522%0.21659%0.588CS.*  trans-13257.5-174-69.1-89.5000112.8F2 N8 H9 D16 L20F2-Y6 PolarHBondContact O-N 3.1Å; Y6-N8 PolarHBondContact O-N 2.96Å; Y6-H9 HydrophobicContact CD1-CB 4.42Å; Y6-H9 PolarHBondContact O-N 3.16Å; Y6-D16 HydrophobicContact CE1-CB 4.31Å; Y6-D16 WeakPolarHBondContact CE1-OD1 3.44Å; Y6-D16 WeakPolarHBondContact OH-CB 3.5Å; Y6-D16 PolarHBondContact OH-OD1 2.88Å; Y6-L20 HydrophobicContact CE2-CD1 4.09Å
7P59.3Low68.1Low96 Ų96112.8 Ų112.862%0.62358%0.58SS**THydrogen-bonded Turntrans-62.4-15.3-173.225.8-36.3000115.2F5F5-P7 VanDerWaalsContact C-CD 3.49Å
8N60.2Low69Low146 Ų146113.2 Ų113.278%0.78158%0.578SS**THydrogen-bonded Turntrans-118.57.4-175.8-67.6-38.1000114.2Y6Y6-N8 PolarHBondContact O-N 2.96Å
9H60.2Low69.7Low123 Ų123110.7 Ų110.757%0.56958%0.577SS**  trans-121106.8-176.1-66.8-78.5000111.9Y6 H11Y6-H9 HydrophobicContact CD1-CB 4.42Å; Y6-H9 PolarHBondContact O-N 3.16Å; H9-H11 PolarHBondContact O-N 2.88Å
10S64.5Low70.3Confident114 Ų114106.5 Ų106.580%0.79755%0.554SS**SBendtrans-74.5-8.817255.20000114
11H64.7Low71Confident151 Ų151104.2 Ų104.270%0.69954%0.543SS*.SBendtrans-132.8134.3177.5-68.1-82.1000110.4H9H9-H11 PolarHBondContact O-N 2.88Å
12I71.4Confident72.2Confident47 Ų47102.6 Ų102.624%0.24154%0.542CS..  trans-93.2129.8171.7-82.3-173.2000108.9F2 D16 F17 L20F2-I12 HydrophobicContact CD1-CD1 4.35Å; F2-I12 HydrophobicContact CE1-CD1 3.4Å; F2-I12 VanDerWaalsContact CE1-CD1 3.4Å; F2-I12 HydrophobicContact CE1-CG1 4.05Å; F2-I12 HydrophobicContact CE2-CD1 4.05Å; F2-I12 HydrophobicContact CZ-CD1 3.24Å; F2-I12 HydrophobicContact CZ-CG1 4.28Å; I12-D16 HydrophobicContact CG2-CB 4.04Å; I12-F17 HydrophobicContact CG2-CB 3.64Å; I12-F17 HydrophobicContact CG2-CD2 4.48Å; I12-L20 HydrophobicContact CD1-CD1 3.49Å; I12-L20 VanDerWaalsContact CD1-CD1 3.49Å
13N78.3Confident73.2Confident114 Ų11499.1 Ų99.161%0.6153%0.53SS*.  trans-79.3159.8168.8-74.9-32.8000110.6T15 D16 F17N13-T15 PolarHBondContact O-N 3.3Å; N13-T15 VanDerWaalsContact O-N 3.11Å; N13-D16 PolarHBondContact O-N 3.17Å; N13-F17 PolarHBondContact O-N 2.93Å
14Q81.2Confident74.1Confident154 Ų15495.7 Ų95.772%0.7251%0.511SS*.Hα-helixtrans-53.4-36.4-178.6-173.3177.14.900113.2F17 H18Q14-F17 PolarHBondContact O-N 3.49Å; Q14-H18 PolarHBondContact O-CD2 3.32Å; Q14-H18 PolarHBondContact O-N 2.89Å; Q14-H18 VanDerWaalsContact O-N 3.08Å
15T82.4Confident75Confident115 Ų11592.5 Ų92.571%0.70650%0.498SS*.Hα-helixtrans-66.4-43.6177.3-39.70000112.4N13 H18 A19N13-T15 PolarHBondContact O-N 3.3Å; N13-T15 VanDerWaalsContact O-N 3.11Å; T15-H18 PolarHBondContact O-N 2.84Å; T15-A19 PolarHBondContact O-N 2.61Å; T15-A19 VanDerWaalsContact O-N 3.1Å
16D81Confident75.7Confident47 Ų4793.7 Ų93.725%0.25150%0.5SS..Hα-helixtrans-66.5-38.7177.4-62.5-66.2000110.9Y6 I12 N13 H18 A19 L20Y6-D16 HydrophobicContact CE1-CB 4.31Å; Y6-D16 WeakPolarHBondContact CE1-OD1 3.44Å; Y6-D16 WeakPolarHBondContact OH-CB 3.5Å; Y6-D16 PolarHBondContact OH-OD1 2.88Å; I12-D16 HydrophobicContact CG2-CB 4.04Å; N13-D16 PolarHBondContact O-N 3.17Å; D16-H18 PolarHBondContact O-N 2.83Å; D16-A19 PolarHBondContact O-N 2.89Å; D16-L20 WeakPolarHBondContact O-CG 3.41Å; D16-L20 PolarHBondContact O-N 3.46Å
17F81.6Confident76.5Confident102 Ų10293.5 Ų93.545%0.44750%0.501SS..Hα-helixtrans-60.7-45.1174.1-173-109.1000111.8I12 N13 Q14 A19 L20 L21I12-F17 HydrophobicContact CG2-CB 3.64Å; I12-F17 HydrophobicContact CG2-CD2 4.48Å; N13-F17 PolarHBondContact O-N 2.93Å; Q14-F17 PolarHBondContact O-N 3.49Å; F17-A19 VanDerWaalsContact C-N 3.28Å; F17-A19 PolarHBondContact O-N 3.37Å; F17-L20 PolarHBondContact O-N 3.23Å; F17-L21 HydrophobicContact CD1-CD1 3.91Å; F17-L21 HydrophobicContact CE1-CD1 3.6Å; F17-L21 HydrophobicContact CE1-CG 4.31Å; F17-L21 HydrophobicContact CZ-CD1 4.35Å; F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 PolarHBondContact O-N 3.01Å
18H82.8Confident77.4Confident119 Ų11994.6 Ų94.655%0.55150%0.501SS*.Hα-helixtrans-62.6-32.1175.6-95.4-82.1000113.2Q14 T15 D16Q14-H18 PolarHBondContact O-CD2 3.32Å; Q14-H18 PolarHBondContact O-N 2.89Å; Q14-H18 VanDerWaalsContact O-N 3.08Å; T15-H18 PolarHBondContact O-N 2.84Å; D16-H18 PolarHBondContact O-N 2.83Å
19A82.3Confident78.4Confident67 Ų6796.4 Ų96.455%0.55450%0.502SS*.Hα-helixtrans-72.4-33175.200000112.9T15 D16 F17T15-A19 PolarHBondContact O-N 2.61Å; T15-A19 VanDerWaalsContact O-N 3.1Å; D16-A19 PolarHBondContact O-N 2.89Å; F17-A19 VanDerWaalsContact C-N 3.28Å; F17-A19 PolarHBondContact O-N 3.37Å
20L83.2Confident79.3Confident25 Ų2593.8 Ų93.813%0.13150%0.495CS..Hα-helixtrans-81.7-22.7177.8-72.2161.9000113.7Y6 I12 D16 F17 T23 I24Y6-L20 HydrophobicContact CE2-CD1 4.09Å; I12-L20 HydrophobicContact CD1-CD1 3.49Å; I12-L20 VanDerWaalsContact CD1-CD1 3.49Å; D16-L20 WeakPolarHBondContact O-CG 3.41Å; D16-L20 PolarHBondContact O-N 3.46Å; F17-L20 PolarHBondContact O-N 3.23Å; L20-T23 WeakPolarHBondContact O-CB 3.32Å; L20-T23 PolarHBondContact O-N 3Å; L20-I24 HydrophobicContact CB-CD1 4.05Å; L20-I24 WeakPolarHBondContact O-CG1 3.26Å; L20-I24 PolarHBondContact O-N 3.28Å
21L83.4Confident79.7Confident60 Ų6090.6 Ų90.631%0.31448%0.479SS..Hα-helixtrans-53.3-45.6-173.3-135152.1000114.5F17 T23 I24 V25F17-L21 HydrophobicContact CD1-CD1 3.91Å; F17-L21 HydrophobicContact CE1-CD1 3.6Å; F17-L21 HydrophobicContact CE1-CG 4.31Å; F17-L21 HydrophobicContact CZ-CD1 4.35Å; F17-L21 WeakPolarHBondContact O-CB 3.33Å; F17-L21 PolarHBondContact O-N 3.01Å; L21-T23 VanDerWaalsContact C-N 3.29Å; L21-T23 PolarHBondContact O-N 3.48Å; L21-I24 PolarHBondContact O-N 3.41Å; L21-V25 HydrophobicContact CD2-CG2 4.07Å; L21-V25 WeakPolarHBondContact O-CG2 3.31Å; L21-V25 PolarHBondContact O-N 3.3Å
22P84.7Confident79.9Confident88 Ų8887.9 Ų87.957%0.57147%0.473SS*.Hα-helixtrans-61.6-37.5176.9-22.434.5000112.8Y26P22-Y26 WeakPolarHBondContact O-CB 3.39Å; P22-Y26 PolarHBondContact O-N 3.04Å
23T80.7Confident79.4Confident49 Ų4988.7 Ų88.730%0.30148%0.482SS..Hα-helixtrans-69.8-46.6178.7-49.80000110.9M1 L20 L21 V25 Y26 E27M1-T23 HydrophobicContact CE-CG2 3.51Å; M1-T23 HydrophobicContact SD-CG2 3.68Å; L20-T23 WeakPolarHBondContact O-CB 3.32Å; L20-T23 PolarHBondContact O-N 3Å; L21-T23 VanDerWaalsContact C-N 3.29Å; L21-T23 PolarHBondContact O-N 3.48Å; T23-V25 VanDerWaalsContact C-N 3.31Å; T23-V25 PolarHBondContact O-N 2.86Å; T23-Y26 WeakPolarHBondContact O-CB 3.48Å; T23-Y26 PolarHBondContact O-N 2.96Å; T23-Y26 VanDerWaalsContact O-N 3.12Å; T23-E27 HydrophobicContact CG2-CG 4.45Å; T23-E27 VanDerWaalsContact O-CG 3.29Å; T23-E27 WeakPolarHBondContact O-CG 3.33Å; T23-E27 PolarHBondContact O-N 3.11Å
24I81.3Confident78.3Confident66 Ų6692.7 Ų92.734%0.33849%0.494SS..Hα-helixtrans-59.3-43.5176.9-66.1167.5000110.7L20 L21 Y26 E27 L28L20-I24 HydrophobicContact CB-CD1 4.05Å; L20-I24 WeakPolarHBondContact O-CG1 3.26Å; L20-I24 PolarHBondContact O-N 3.28Å; L21-I24 PolarHBondContact O-N 3.41Å; I24-Y26 PolarHBondContact O-N 3.13Å; I24-E27 PolarHBondContact O-N 3.29Å; I24-L28 HydrophobicContact CG2-CD1 3.97Å; I24-L28 WeakPolarHBondContact O-CB 3.49Å; I24-L28 VanDerWaalsContact O-CG 3.31Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 2.95Å
25V82.7Confident77.1Confident81 Ų8189.9 Ų89.949%0.49148%0.481SS..Hα-helixtrans-65.2-37.4176.2171.10000111.9L21 T23 K29L21-V25 HydrophobicContact CD2-CG2 4.07Å; L21-V25 WeakPolarHBondContact O-CG2 3.31Å; L21-V25 PolarHBondContact O-N 3.3Å; T23-V25 VanDerWaalsContact C-N 3.31Å; T23-V25 PolarHBondContact O-N 2.86Å; V25-K29 VanDerWaalsContact O-CB 3.24Å; V25-K29 WeakPolarHBondContact O-CB 3.33Å; V25-K29 PolarHBondContact O-N 3.13Å
26Y80.1Confident75.4Confident149 Ų14991.5 Ų91.558%0.58449%0.485SS*.Hα-helixtrans-65.8-46.7175.5-176.9-93.1000112.2P22 T23 I24 K29 T30P22-Y26 WeakPolarHBondContact O-CB 3.39Å; P22-Y26 PolarHBondContact O-N 3.04Å; T23-Y26 WeakPolarHBondContact O-CB 3.48Å; T23-Y26 PolarHBondContact O-N 2.96Å; T23-Y26 VanDerWaalsContact O-N 3.12Å; I24-Y26 PolarHBondContact O-N 3.13Å; Y26-K29 PolarHBondContact O-N 2.83Å; Y26-T30 HydrophobicContact CD1-CG2 4.35Å; Y26-T30 HydrophobicContact CD2-CG2 4.48Å; Y26-T30 HydrophobicContact CE1-CG2 3.94Å; Y26-T30 HydrophobicContact CE2-CG2 4.08Å; Y26-T30 WeakPolarHBondContact O-CB 3.46Å; Y26-T30 WeakPolarHBondContact O-CG2 3.49Å; Y26-T30 PolarHBondContact O-N 3.22Å; Y26-T30 PolarHBondContact O-OG1 3.32Å
27E81.3Confident73.9Confident51 Ų5194.9 Ų94.924%0.23850%0.499CS..Hα-helixtrans-61.7-43.2177.3-68-70.5144.300111.8T23 I24 T30 G31 V32T23-E27 HydrophobicContact CG2-CG 4.45Å; T23-E27 VanDerWaalsContact O-CG 3.29Å; T23-E27 WeakPolarHBondContact O-CG 3.33Å; T23-E27 PolarHBondContact O-N 3.11Å; I24-E27 PolarHBondContact O-N 3.29Å; E27-T30 PolarHBondContact O-N 2.88Å; E27-T30 PolarHBondContact O-OG1 2.91Å; E27-G31 PolarHBondContact O-N 2.97Å; E27-V32 WeakPolarHBondContact OE2-CB 3.46Å; E27-V32 WeakPolarHBondContact OE2-CG2 3.48Å
28L77.1Confident72.1Confident118 Ų11895.7 Ų95.762%0.61851%0.512SS*.Hα-helixtrans-61.5-43.6173.2-77.1168.7000112I24 T30I24-L28 HydrophobicContact CG2-CD1 3.97Å; I24-L28 WeakPolarHBondContact O-CB 3.49Å; I24-L28 VanDerWaalsContact O-CG 3.31Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 2.95Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.4Å
29K80.7Confident70.2Confident184 Ų18496.5 Ų96.580%0.852%0.516SS*.Hα-helixtrans-72.5-25.5-178.8-172.5171.6-177.7176.30113.4V25 Y26V25-K29 VanDerWaalsContact O-CB 3.24Å; V25-K29 WeakPolarHBondContact O-CB 3.33Å; V25-K29 PolarHBondContact O-N 3.13Å; Y26-K29 PolarHBondContact O-N 2.83Å
30T80.9Confident67.8Low69 Ų69101.4 Ų101.442%0.42353%0.528SS..Hα-helixtrans-98.7-9.5-179.651.10000113.7Y26 E27 L28 V32Y26-T30 HydrophobicContact CD1-CG2 4.35Å; Y26-T30 HydrophobicContact CD2-CG2 4.48Å; Y26-T30 HydrophobicContact CE1-CG2 3.94Å; Y26-T30 HydrophobicContact CE2-CG2 4.08Å; Y26-T30 WeakPolarHBondContact O-CB 3.46Å; Y26-T30 WeakPolarHBondContact O-CG2 3.49Å; Y26-T30 PolarHBondContact O-N 3.22Å; Y26-T30 PolarHBondContact O-OG1 3.32Å; E27-T30 PolarHBondContact O-N 2.88Å; E27-T30 PolarHBondContact O-OG1 2.91Å; L28-T30 VanDerWaalsContact C-N 3.34Å; L28-T30 PolarHBondContact O-N 3.4Å; T30-V32 VanDerWaalsContact C-N 3.29Å; T30-V32 PolarHBondContact O-N 2.8Å; T30-V32 WeakPolarHBondContact OG1-CG2 3.25Å
31G72.5Confident65.9Low46 Ų46105.2 Ų105.247%0.47455%0.552SS.*THydrogen-bonded Turntrans71.718.1173.600000114.7E27 C33E27-G31 PolarHBondContact O-N 2.97Å; G31-C33 VanDerWaalsContact C-N 3.3Å
32V69.2Low63.6Low94 Ų94105.5 Ų105.557%0.5756%0.563SS**  trans-70.4-30.6-179.1-143.80000111.5E27 T30 K34E27-V32 WeakPolarHBondContact OE2-CB 3.46Å; E27-V32 WeakPolarHBondContact OE2-CG2 3.48Å; T30-V32 VanDerWaalsContact C-N 3.29Å; T30-V32 PolarHBondContact O-N 2.8Å; T30-V32 WeakPolarHBondContact OG1-CG2 3.25Å; V32-K34 PolarHBondContact O-N 2.82Å
33C59.3Low61.3Low65 Ų65106.3 Ų106.344%0.43957%0.568SS.*  trans-70.973169.8-86.90000111.9G31 H35G31-C33 VanDerWaalsContact C-N 3.3Å; C33-H35 PolarHBondContact O-N 3.44Å
34K56.6Low59.6Low198 Ų198108.5 Ų108.586%0.86159%0.585SS**  trans-72.958.2162.3-68.3-172.5177.7-176.60111.2V32V32-K34 PolarHBondContact O-N 2.82Å
35H55.5Low57.9Low94 Ų94110.3 Ų110.344%0.43560%0.599SS.*  trans-77.4125.1160.943.560.4000108C33 H37C33-H35 PolarHBondContact O-N 3.44Å; H35-H37 AromaticContact CE1-CD2 3.62Å; H35-H37 AromaticContact CE1-CE1 3.62Å; H35-H37 AromaticContact CE1-NE2 3.1Å; H35-H37 PolarHBondContact CE1-NE2 2.99Å; H35-H37 AromaticContact ND1-CD2 3.57Å; H35-H37 AromaticContact ND1-CE1 3.67Å; H35-H37 AromaticContact ND1-CG 3.89Å; H35-H37 AromaticContact ND1-ND1 3.96Å; H35-H37 AromaticContact ND1-NE2 3.42Å; H35-H37 PolarHBondContact ND1-NE2 3.33Å; H35-H37 PolarHBondContact O-N 3.41Å
36N47.2Very low56.6Low149 Ų149110.3 Ų110.380%0.79759%0.594SS**  trans-59.995.4154.4-96.10.9000106.2V38N36-V38 PolarHBondContact O-N 3.44Å
37H49.7Very low55.8Low118 Ų118110.6 Ų110.655%0.54660%0.601SS.*  trans-59.196.2141.5-69.4-47.7000104.9H35 H39H35-H37 AromaticContact CE1-CD2 3.62Å; H35-H37 AromaticContact CE1-CE1 3.62Å; H35-H37 AromaticContact CE1-NE2 3.1Å; H35-H37 PolarHBondContact CE1-NE2 2.99Å; H35-H37 AromaticContact ND1-CD2 3.57Å; H35-H37 AromaticContact ND1-CE1 3.67Å; H35-H37 AromaticContact ND1-CG 3.89Å; H35-H37 AromaticContact ND1-ND1 3.96Å; H35-H37 AromaticContact ND1-NE2 3.42Å; H35-H37 PolarHBondContact ND1-NE2 3.33Å; H35-H37 PolarHBondContact O-N 3.41Å; H37-H39 VanDerWaalsContact CB-CD2 3.48Å; H37-H39 WeakPolarHBondContact CB-CD2 3.47Å; H37-H39 PolarHBondContact O-N 3.12Å
38V42.7Very low55.6Low119 Ų119113.4 Ų113.472%0.72161%0.612SS**  trans-57.482.7131-175.50000104.1N36 E40N36-V38 PolarHBondContact O-N 3.44Å; V38-E40 HydrophobicContact CG1-CG 4.32Å; V38-E40 PolarHBondContact O-N 2.96Å
39H43.1Very low56Low137 Ų137110.3 Ų110.363%0.63460%0.6SS**  trans-54100.4138-72.9-83.7000102.7H37 V41H37-H39 VanDerWaalsContact CB-CD2 3.48Å; H37-H39 WeakPolarHBondContact CB-CD2 3.47Å; H37-H39 PolarHBondContact O-N 3.12Å; H39-V41 HydrophobicContact CB-CG2 3.88Å; H39-V41 PolarHBondContact O-N 3.41Å
40E32.4Very low56.4Low169 Ų169108.7 Ų108.779%0.7959%0.59SS**  -5382.8125.5-74.1-171.3142.400105.4V38 A42V38-E40 HydrophobicContact CG1-CG 4.32Å; V38-E40 PolarHBondContact O-N 2.96Å; E40-A42 PolarHBondContact O-N 2.87Å
41V42.6Very low56.9Low106 Ų106115 Ų11564%0.64261%0.605SS**  -56.476123.1-167.50000103.7H39 P43H39-V41 HydrophobicContact CB-CG2 3.88Å; H39-V41 PolarHBondContact O-N 3.41Å; V41-P43 VanDerWaalsContact C-N 3.28Å; V41-P43 WeakPolarHBondContact O-CD 3.39Å
42A36.4Very low57.8Low66 Ų66113 Ų11355%0.54559%0.585SS.*  trans-42.6113.8142.900000101.8E40 S44E40-A42 PolarHBondContact O-N 2.87Å; A42-S44 PolarHBondContact O-N 2.91Å
43P35.4Very low59Low104 Ų104110.2 Ų110.268%0.67557%0.565SS**  trans-49.9120-173.121.6-32.5000103.5V41 T45V41-P43 VanDerWaalsContact C-N 3.28Å; V41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-T45 PolarHBondContact O-N 2.81Å
44S45.4Very low60.7Low95 Ų95111 Ų11166%0.66456%0.564SS**  trans-63.692.7-173.640.30000104.4A42 H46A42-S44 PolarHBondContact O-N 2.91Å; S44-H46 WeakPolarHBondContact O-CA 3.36Å; S44-H46 PolarHBondContact O-N 2.86Å
45T45.2Very low62.5Low104 Ų104102.8 Ų102.864%0.63853%0.534SS*.  trans-62.4101.217642.10000100.3P43 E47P43-T45 PolarHBondContact O-N 2.81Å; T45-E47 PolarHBondContact O-N 2.99Å
46H55.5Low64.4Low81 Ų8198.3 Ų98.338%0.37551%0.513SS..  trans-75.873.5-164.2-169-78.6000105.4S44 F48 A400S44-H46 WeakPolarHBondContact O-CA 3.36Å; S44-H46 PolarHBondContact O-N 2.86Å; H46-F48 PolarHBondContact O-N 3.35Å; H46-A400 PolarHBondContact CE1-O 3.37Å; H46-A400 PolarHBondContact NE2-O 2.84Å
47E62.7Low66.7Low156 Ų15693.9 Ų93.973%0.72949%0.488SS*.  trans-51.6106.8-171.4-86.1-70.9140.200105T45 S49T45-E47 PolarHBondContact O-N 2.99Å; E47-S49 VanDerWaalsContact C-N 3.31Å; E47-S49 PolarHBondContact O-N 3.18Å
48F77.7Confident68.9Low109 Ų10990 Ų9048%0.47848%0.481SS..  trans-6098.4-164.3171.2-95.8000108.6H46 W50 F53 F457H46-F48 PolarHBondContact O-N 3.35Å; F48-W50 VanDerWaalsContact C-N 3.3Å; F48-W50 HydrophobicContact CE1-CB 4.36Å; F48-W50 HydrophobicContact CE1-CE3 4.01Å; F48-W50 HydrophobicContact CZ-CE3 4.41Å; F48-W50 PolarHBondContact O-N 3.48Å; F48-F53 HydrophobicContact CE2-CB 4.29Å; F48-F53 HydrophobicContact CE2-CD2 4.22Å; F48-F53 HydrophobicContact CE2-CG 4.15Å; F48-F53 HydrophobicContact CZ-CB 3.92Å; F48-F53 AromaticContact CZ-CD1 3.89Å; F48-F53 HydrophobicContact CZ-CD1 3.89Å; F48-F53 HydrophobicContact CZ-CD2 4.21Å; F48-F53 HydrophobicContact CZ-CE1 4.46Å; F48-F53 AromaticContact CZ-CG 3.73Å; F48-F53 HydrophobicContact CZ-CG 3.73Å; F48-F457 AromaticContact CD2-CE1 3.82Å; F48-F457 HydrophobicContact CD2-CE1 3.82Å; F48-F457 HydrophobicContact CE2-CD1 4.1Å; F48-F457 AromaticContact CE2-CE1 3.61Å; F48-F457 HydrophobicContact CE2-CE1 3.61Å
49S84.6Confident71.3Confident53 Ų5385 Ų8537%0.37145%0.451SS..  trans-78.788.8-171.5179.80000107.4E47 R51 A52 F53E47-S49 VanDerWaalsContact C-N 3.31Å; E47-S49 PolarHBondContact O-N 3.18Å; S49-R51 PolarHBondContact O-N 3.12Å; S49-A52 WeakPolarHBondContact O-CA 3.39Å; S49-A52 PolarHBondContact O-N 2.94Å; S49-A52 PolarHBondContact OG-N 3.47Å; S49-F53 PolarHBondContact O-N 3.42Å
50W89.4Confident73.8Confident151 Ų15178.7 Ų78.757%0.57242%0.423SS*.Hα-helixtrans-50.3-29.9174174.6-112.5000112.1F48 F53 L54F48-W50 VanDerWaalsContact C-N 3.3Å; F48-W50 HydrophobicContact CE1-CB 4.36Å; F48-W50 HydrophobicContact CE1-CE3 4.01Å; F48-W50 HydrophobicContact CZ-CE3 4.41Å; F48-W50 PolarHBondContact O-N 3.48Å; W50-F53 AromaticContact CE3-CD1 3.89Å; W50-F53 HydrophobicContact CE3-CD1 3.89Å; W50-F53 AromaticContact CZ3-CD1 3.75Å; W50-F53 HydrophobicContact CZ3-CD1 3.75Å; W50-F53 HydrophobicContact CZ3-CE1 4.11Å; W50-L54 HydrophobicContact CD2-CD1 4.28Å; W50-L54 HydrophobicContact CD2-CG 4.12Å; W50-L54 HydrophobicContact CH2-CD2 3.99Å; W50-L54 HydrophobicContact CH2-CG 4.37Å; W50-L54 HydrophobicContact CZ2-CD1 3.89Å; W50-L54 HydrophobicContact CZ2-CD2 3.75Å; W50-L54 HydrophobicContact CZ2-CG 3.89Å; W50-L54 VanDerWaalsContact NE1-CD1 3.33Å; W50-L54 WeakPolarHBondContact O-CB 3.42Å; W50-L54 VanDerWaalsContact O-CG 3.31Å; W50-L54 WeakPolarHBondContact O-CG 3.28Å; W50-L54 PolarHBondContact O-N 3.48Å
51R92.8Very high76.7Confident200 Ų20074.9 Ų74.976%0.75541%0.407SS*.Hα-helixtrans-66.5-44.8173.4-64.6179.265.5-177.1-1.1112.5S49 A55S49-R51 PolarHBondContact O-N 3.12Å; R51-A55 WeakPolarHBondContact O-CB 3.49Å; R51-A55 PolarHBondContact O-N 3.27Å
52A91.5Very high79Confident5 Ų574.4 Ų74.44%0.04140%0.401CS..Hα-helixtrans-71.4-38.9176.400000111.7S49 L54 A55 A56 F399 M403 F457S49-A52 WeakPolarHBondContact O-CA 3.39Å; S49-A52 PolarHBondContact O-N 2.94Å; S49-A52 PolarHBondContact OG-N 3.47Å; A52-L54 PolarHBondContact O-N 3.04Å; A52-A55 WeakPolarHBondContact O-CB 3.46Å; A52-A55 PolarHBondContact O-N 3.06Å; A52-A55 VanDerWaalsContact O-N 3.13Å; A52-A56 WeakPolarHBondContact O-CB 3.5Å; A52-A56 PolarHBondContact O-N 3.21Å; A52-F399 VanDerWaalsContact CB-O 3.29Å; A52-F399 WeakPolarHBondContact CB-O 3.44Å; A52-M403 HydrophobicContact CB-CE 4.1Å; A52-F457 HydrophobicContact CB-CE2 3.88Å; A52-F457 HydrophobicContact CB-CZ 4.09Å
53F93.7Very high81.6Confident36 Ų3671.3 Ų71.316%0.15838%0.375CS..Hα-helixtrans-61.5-43.6174.6-173.3-110.4000112.2F48 S49 W50 A55 A56 I57 M453 I454 F457F48-F53 HydrophobicContact CE2-CB 4.29Å; F48-F53 HydrophobicContact CE2-CD2 4.22Å; F48-F53 HydrophobicContact CE2-CG 4.15Å; F48-F53 HydrophobicContact CZ-CB 3.92Å; F48-F53 AromaticContact CZ-CD1 3.89Å; F48-F53 HydrophobicContact CZ-CD1 3.89Å; F48-F53 HydrophobicContact CZ-CD2 4.21Å; F48-F53 HydrophobicContact CZ-CE1 4.46Å; F48-F53 AromaticContact CZ-CG 3.73Å; F48-F53 HydrophobicContact CZ-CG 3.73Å; S49-F53 PolarHBondContact O-N 3.42Å; W50-F53 AromaticContact CE3-CD1 3.89Å; W50-F53 HydrophobicContact CE3-CD1 3.89Å; W50-F53 AromaticContact CZ3-CD1 3.75Å; W50-F53 HydrophobicContact CZ3-CD1 3.75Å; W50-F53 HydrophobicContact CZ3-CE1 4.11Å; F53-A55 VanDerWaalsContact C-N 3.34Å; F53-A56 PolarHBondContact O-N 3.01Å; F53-I57 HydrophobicContact CD1-CD1 3.82Å; F53-I57 HydrophobicContact CE1-CD1 3.49Å; F53-I57 VanDerWaalsContact CE1-CD1 3.49Å; F53-I57 HydrophobicContact CE1-CG1 4.48Å; F53-I57 HydrophobicContact CZ-CD1 3.95Å; F53-I57 WeakPolarHBondContact O-CG1 3.2Å; F53-I57 PolarHBondContact O-N 3.1Å; F53-M453 HydrophobicContact CE2-SD 4.32Å; F53-I454 HydrophobicContact CE2-CG1 4.46Å; F53-F457 HydrophobicContact CB-CE1 3.93Å; F53-F457 HydrophobicContact CB-CE2 4.18Å; F53-F457 HydrophobicContact CB-CZ 3.74Å; F53-F457 AromaticContact CD2-CD1 3.7Å; F53-F457 HydrophobicContact CD2-CD1 3.7Å; F53-F457 HydrophobicContact CD2-CD2 4.36Å; F53-F457 AromaticContact CD2-CE1 3.96Å; F53-F457 HydrophobicContact CD2-CE1 3.96Å; F53-F457 AromaticContact CD2-CG 3.93Å; F53-F457 HydrophobicContact CD2-CG 3.93Å; F53-F457 HydrophobicContact CD2-CZ 4.39Å; F53-F457 HydrophobicContact CE2-CD1 4.47Å; F53-F457 HydrophobicContact CG-CE1 4.37Å
54L94.9Very high84.1Confident81 Ų8167 Ų6742%0.42435%0.347SS..Hα-helixtrans-65.3-35172.5-77.8-178.5000113W50 A52 G58W50-L54 HydrophobicContact CD2-CD1 4.28Å; W50-L54 HydrophobicContact CD2-CG 4.12Å; W50-L54 HydrophobicContact CH2-CD2 3.99Å; W50-L54 HydrophobicContact CH2-CG 4.37Å; W50-L54 HydrophobicContact CZ2-CD1 3.89Å; W50-L54 HydrophobicContact CZ2-CD2 3.75Å; W50-L54 HydrophobicContact CZ2-CG 3.89Å; W50-L54 VanDerWaalsContact NE1-CD1 3.33Å; W50-L54 WeakPolarHBondContact O-CB 3.42Å; W50-L54 VanDerWaalsContact O-CG 3.31Å; W50-L54 WeakPolarHBondContact O-CG 3.28Å; W50-L54 PolarHBondContact O-N 3.48Å; A52-L54 PolarHBondContact O-N 3.04Å; L54-G58 PolarHBondContact O-N 3.14Å
55A95.1Very high86.1Confident26 Ų2668.3 Ų68.322%0.21534%0.341CS..Hα-helixtrans-66.7-41.8174.700000111.5R51 A52 F53 G58 A59 F399 M403R51-A55 WeakPolarHBondContact O-CB 3.49Å; R51-A55 PolarHBondContact O-N 3.27Å; A52-A55 WeakPolarHBondContact O-CB 3.46Å; A52-A55 PolarHBondContact O-N 3.06Å; A52-A55 VanDerWaalsContact O-N 3.13Å; F53-A55 VanDerWaalsContact C-N 3.34Å; A55-G58 CarbonylContact O-C 3.58Å; A55-G58 WeakPolarHBondContact O-CA 3.33Å; A55-G58 PolarHBondContact O-N 2.94Å; A55-G58 VanDerWaalsContact O-N 3.14Å; A55-A59 WeakPolarHBondContact O-CB 3.29Å; A55-A59 PolarHBondContact O-N 2.92Å; A55-F399 HydrophobicContact CB-CD1 3.98Å; A55-F399 HydrophobicContact CB-CE1 3.5Å; A55-F399 VanDerWaalsContact CB-CE1 3.5Å; A55-F399 HydrophobicContact CB-CZ 3.87Å; A55-M403 HydrophobicContact CB-CE 3.96Å; A55-M403 HydrophobicContact CB-SD 3.74Å
56A94.5Very high87.9Confident0 Ų063.9 Ų63.90%032%0.315CS..Hα-helixtrans-61.9-42.9174.400000112.4A52 F53 G58 A59 V60 I395 F399 M453 F457A52-A56 WeakPolarHBondContact O-CB 3.5Å; A52-A56 PolarHBondContact O-N 3.21Å; F53-A56 PolarHBondContact O-N 3.01Å; A56-G58 VanDerWaalsContact C-N 3.34Å; A56-G58 PolarHBondContact O-N 3.31Å; A56-A59 PolarHBondContact O-N 3.12Å; A56-V60 WeakPolarHBondContact O-CG2 3.45Å; A56-V60 PolarHBondContact O-N 3.02Å; A56-I395 HydrophobicContact CB-CG2 4.45Å; A56-F399 VanDerWaalsContact CA-CD2 3.43Å; A56-F399 HydrophobicContact CB-CB 3.96Å; A56-F399 HydrophobicContact CB-CD2 3.47Å; A56-F399 VanDerWaalsContact CB-CD2 3.47Å; A56-F399 HydrophobicContact CB-CE2 4.16Å; A56-F399 HydrophobicContact CB-CG 3.88Å; A56-M453 HydrophobicContact CB-CG 3.83Å; A56-M453 HydrophobicContact CB-SD 3.61Å; A56-F457 HydrophobicContact CB-CD2 4.43Å
57I95.5Very high89Confident55 Ų5560 Ų6028%0.28230%0.297SS..Hα-helixtrans-60.1-44.9170.9-69.5166.6000110.9F53 A59 V60 L61 M453F53-I57 HydrophobicContact CD1-CD1 3.82Å; F53-I57 HydrophobicContact CE1-CD1 3.49Å; F53-I57 VanDerWaalsContact CE1-CD1 3.49Å; F53-I57 HydrophobicContact CE1-CG1 4.48Å; F53-I57 HydrophobicContact CZ-CD1 3.95Å; F53-I57 WeakPolarHBondContact O-CG1 3.2Å; F53-I57 PolarHBondContact O-N 3.1Å; I57-A59 VanDerWaalsContact C-N 3.33Å; I57-A59 PolarHBondContact O-N 2.95Å; I57-V60 PolarHBondContact O-N 3.18Å; I57-L61 HydrophobicContact CG2-CD1 3.96Å; I57-L61 HydrophobicContact CG2-CG 4.43Å; I57-L61 WeakPolarHBondContact O-CB 3.32Å; I57-L61 VanDerWaalsContact O-CG 3.28Å; I57-L61 WeakPolarHBondContact O-CG 3.33Å; I57-L61 PolarHBondContact O-N 3.34Å; I57-M453 HydrophobicContact CB-CE 4.48Å; I57-M453 HydrophobicContact CG1-CE 3.6Å
58G95.4Very high89.9Confident38 Ų3855.1 Ų55.139%0.39228%0.275SS..Hα-helixtrans-60.5-40.4177.500000113L54 A55 A56 L62L54-G58 PolarHBondContact O-N 3.14Å; A55-G58 CarbonylContact O-C 3.58Å; A55-G58 WeakPolarHBondContact O-CA 3.33Å; A55-G58 PolarHBondContact O-N 2.94Å; A55-G58 VanDerWaalsContact O-N 3.14Å; A56-G58 VanDerWaalsContact C-N 3.34Å; A56-G58 PolarHBondContact O-N 3.31Å; G58-L62 WeakPolarHBondContact O-CB 3.29Å; G58-L62 PolarHBondContact O-N 3.06Å
59A94.4Very high89.9Confident12 Ų1254.9 Ų54.910%0.09928%0.278CS..Hα-helixtrans-65-52.2175.600000112.4A55 A56 I57 L61 L62 V63 I395 F399 S410A55-A59 WeakPolarHBondContact O-CB 3.29Å; A55-A59 PolarHBondContact O-N 2.92Å; A56-A59 PolarHBondContact O-N 3.12Å; I57-A59 VanDerWaalsContact C-N 3.33Å; I57-A59 PolarHBondContact O-N 2.95Å; A59-L61 VanDerWaalsContact C-N 3.28Å; A59-L61 PolarHBondContact O-N 2.82Å; A59-L62 WeakPolarHBondContact O-CA 3.23Å; A59-L62 WeakPolarHBondContact O-CB 3.4Å; A59-L62 PolarHBondContact O-N 3.13Å; A59-V63 WeakPolarHBondContact O-CG2 3.25Å; A59-V63 PolarHBondContact O-N 3.27Å; A59-I395 HydrophobicContact CB-CG2 4.12Å; A59-F399 HydrophobicContact CB-CE2 3.79Å; A59-F399 HydrophobicContact CB-CZ 4.37Å; A59-S410 WeakPolarHBondContact CB-OG 3.32Å
60V94.3Very high89.2Confident5 Ų553 Ų533%0.0326%0.264CS..Hα-helixtrans-57.4-42.6177.6169.10000111.3A56 I57 L62 V63 S64 I395 C449 A450 M453A56-V60 WeakPolarHBondContact O-CG2 3.45Å; A56-V60 PolarHBondContact O-N 3.02Å; I57-V60 PolarHBondContact O-N 3.18Å; V60-L62 VanDerWaalsContact C-N 3.33Å; V60-L62 PolarHBondContact O-N 2.79Å; V60-V63 PolarHBondContact O-N 2.93Å; V60-S64 VanDerWaalsContact O-CB 3.31Å; V60-S64 WeakPolarHBondContact O-CB 3.46Å; V60-S64 PolarHBondContact O-N 3.45Å; V60-S64 PolarHBondContact O-OG 2.78Å; V60-I395 HydrophobicContact CG2-CG2 4.35Å; V60-C449 HydrophobicContact CG1-CB 4.29Å; V60-A450 HydrophobicContact CG1-CB 4.11Å; V60-M453 HydrophobicContact CG2-CB 3.64Å; V60-M453 HydrophobicContact CG2-CE 4.41Å; V60-M453 HydrophobicContact CG2-CG 3.73Å
61L93.4Very high88.4Confident89 Ų8945.9 Ų45.947%0.46624%0.237SC..Hα-helixtrans-61.2-41.8174.8-73.3173.1000111.8I57 A59 S64 F65I57-L61 HydrophobicContact CG2-CD1 3.96Å; I57-L61 HydrophobicContact CG2-CG 4.43Å; I57-L61 WeakPolarHBondContact O-CB 3.32Å; I57-L61 VanDerWaalsContact O-CG 3.28Å; I57-L61 WeakPolarHBondContact O-CG 3.33Å; I57-L61 PolarHBondContact O-N 3.34Å; A59-L61 VanDerWaalsContact C-N 3.28Å; A59-L61 PolarHBondContact O-N 2.82Å; L61-S64 PolarHBondContact O-N 3.47Å; L61-F65 HydrophobicContact CB-CD2 4.43Å; L61-F65 HydrophobicContact CB-CE2 4.39Å; L61-F65 WeakPolarHBondContact O-CB 3.17Å; L61-F65 WeakPolarHBondContact O-CD2 3.36Å; L61-F65 WeakPolarHBondContact O-CG 3.46Å; L61-F65 PolarHBondContact O-N 3.02Å
62L92.4Very high87.6Confident96 Ų9640.2 Ų40.250%0.50323%0.228SC..Hα-helixtrans-65-46179.2-167.6161000111.6G58 A59 V60 F65 S66 L414G58-L62 WeakPolarHBondContact O-CB 3.29Å; G58-L62 PolarHBondContact O-N 3.06Å; A59-L62 WeakPolarHBondContact O-CA 3.23Å; A59-L62 WeakPolarHBondContact O-CB 3.4Å; A59-L62 PolarHBondContact O-N 3.13Å; V60-L62 VanDerWaalsContact C-N 3.33Å; V60-L62 PolarHBondContact O-N 2.79Å; L62-F65 PolarHBondContact O-N 3.16Å; L62-S66 PolarHBondContact O-N 3.42Å; L62-L414 HydrophobicContact CD2-CD1 3.66Å; L62-L414 HydrophobicContact CD2-CD2 3.48Å; L62-L414 VanDerWaalsContact CD2-CD2 3.48Å; L62-L414 HydrophobicContact CD2-CG 4.15Å
63V90.4Very high86.9Confident1 Ų144.8 Ų44.81%0.00625%0.251CS..Hα-helixtrans-57.1-51.3172.9175.20000110.1A59 V60 F65 S66 G67 I395 V413 L414 E417A59-V63 WeakPolarHBondContact O-CG2 3.25Å; A59-V63 PolarHBondContact O-N 3.27Å; V60-V63 PolarHBondContact O-N 2.93Å; V63-F65 VanDerWaalsContact C-N 3.35Å; V63-F65 PolarHBondContact O-N 3.22Å; V63-S66 VanDerWaalsContact O-CB 3.28Å; V63-S66 WeakPolarHBondContact O-CB 3.33Å; V63-S66 PolarHBondContact O-N 2.93Å; V63-S66 PolarHBondContact O-OG 3.21Å; V63-G67 PolarHBondContact O-N 3.28Å; V63-I395 HydrophobicContact CG2-CD1 4.39Å; V63-V413 HydrophobicContact CG1-CG1 4Å; V63-V413 HydrophobicContact CG2-CG1 3.98Å; V63-L414 HydrophobicContact CG2-CB 4.36Å; V63-E417 HydrophobicContact CG1-CB 4.47Å; V63-E417 HydrophobicContact CG1-CG 4.1Å
64S88.2Confident85.9Confident14 Ų1443.2 Ų43.210%0.09824%0.244CC..Hα-helixtrans-59.2-39.9178.7-53.90000113.4V60 L61 S66 L68 S446V60-S64 VanDerWaalsContact O-CB 3.31Å; V60-S64 WeakPolarHBondContact O-CB 3.46Å; V60-S64 PolarHBondContact O-N 3.45Å; V60-S64 PolarHBondContact O-OG 2.78Å; L61-S64 PolarHBondContact O-N 3.47Å; S64-S66 VanDerWaalsContact C-N 3.3Å; S64-S66 PolarHBondContact O-N 3.17Å; S64-L68 PolarHBondContact O-N 3.43Å; S64-S446 WeakPolarHBondContact OG-CB 3.3Å
65F86.7Confident84.9Confident123 Ų12342.2 Ų42.254%0.53924%0.242SC..Hα-helixtrans-69-28.9175.9-81.9-59000112.6L61 L62 V63 L68 I69L61-F65 HydrophobicContact CB-CD2 4.43Å; L61-F65 HydrophobicContact CB-CE2 4.39Å; L61-F65 WeakPolarHBondContact O-CB 3.17Å; L61-F65 WeakPolarHBondContact O-CD2 3.36Å; L61-F65 WeakPolarHBondContact O-CG 3.46Å; L61-F65 PolarHBondContact O-N 3.02Å; L62-F65 PolarHBondContact O-N 3.16Å; V63-F65 VanDerWaalsContact C-N 3.35Å; V63-F65 PolarHBondContact O-N 3.22Å; F65-L68 HydrophobicContact CD1-CD1 4.24Å; F65-L68 PolarHBondContact O-N 3.02Å; F65-I69 VanDerWaalsContact O-CG1 3.29Å; F65-I69 WeakPolarHBondContact O-CG1 3.38Å; F65-I69 PolarHBondContact O-N 2.98Å
66S83.8Confident84.1Confident11 Ų1147.6 Ų47.68%0.07727%0.267CS..Hα-helixtrans-65.5-45.4179.986.50000111.8L62 V63 S64 I69 V70 L414L62-S66 PolarHBondContact O-N 3.42Å; V63-S66 VanDerWaalsContact O-CB 3.28Å; V63-S66 WeakPolarHBondContact O-CB 3.33Å; V63-S66 PolarHBondContact O-N 2.93Å; V63-S66 PolarHBondContact O-OG 3.21Å; S64-S66 VanDerWaalsContact C-N 3.3Å; S64-S66 PolarHBondContact O-N 3.17Å; S66-I69 PolarHBondContact O-N 3.08Å; S66-V70 PolarHBondContact O-N 3.38Å; S66-L414 VanDerWaalsContact CB-CD1 3.44Å; S66-L414 WeakPolarHBondContact OG-CD1 3.4Å
67G77.6Confident83.2Confident0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-58.8-47.1172.200000112.3V63 I69 V70 V71 E421V63-G67 PolarHBondContact O-N 3.28Å; G67-I69 VanDerWaalsContact C-N 3.33Å; G67-I69 PolarHBondContact O-N 3.38Å; G67-V70 WeakPolarHBondContact O-CB 3.44Å; G67-V70 PolarHBondContact O-N 3.06Å; G67-V71 WeakPolarHBondContact O-CB 3.47Å; G67-V71 VanDerWaalsContact O-CG2 3.28Å; G67-V71 WeakPolarHBondContact O-CG2 3.4Å; G67-V71 PolarHBondContact O-N 3.49Å; G67-E421 WeakPolarHBondContact CA-OE1 3.39Å
68L81Confident82.2Confident53 Ų5351.5 Ų51.528%0.27729%0.293SS..Hα-helixtrans-59.3-38176.5-69.1176.2000113.7S64 F65 C72 L439 N442S64-L68 PolarHBondContact O-N 3.43Å; F65-L68 HydrophobicContact CD1-CD1 4.24Å; F65-L68 PolarHBondContact O-N 3.02Å; L68-C72 WeakPolarHBondContact O-CB 3.47Å; L68-C72 PolarHBondContact O-N 3.45Å; L68-L439 HydrophobicContact CD2-CD2 3.69Å; L68-N442 WeakPolarHBondContact CD2-OD1 3.46Å
69I78.8Confident81Confident104 Ų10456.8 Ų56.853%0.53330%0.301SS..Hα-helixtrans-66.1-47.6176.2-70.2163.8000110.2F65 S66 G67 V71 C72 L73F65-I69 VanDerWaalsContact O-CG1 3.29Å; F65-I69 WeakPolarHBondContact O-CG1 3.38Å; F65-I69 PolarHBondContact O-N 2.98Å; S66-I69 PolarHBondContact O-N 3.08Å; G67-I69 VanDerWaalsContact C-N 3.33Å; G67-I69 PolarHBondContact O-N 3.38Å; I69-V71 PolarHBondContact O-N 3.46Å; I69-C72 WeakPolarHBondContact O-CB 3.35Å; I69-C72 PolarHBondContact O-N 2.85Å; I69-C72 VanDerWaalsContact O-N 3.13Å; I69-L73 HydrophobicContact CG2-CD1 4.1Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 3.07Å; I69-L73 VanDerWaalsContact O-N 3.09Å
70V69.7Low79.9Confident14 Ų1459.7 Ų59.79%0.08532%0.321CS..Hα-helixtrans-54.4-50.5175.3153.40000111.4S66 G67 C72 L73 V74 L418 E421 L422S66-V70 PolarHBondContact O-N 3.38Å; G67-V70 WeakPolarHBondContact O-CB 3.44Å; G67-V70 PolarHBondContact O-N 3.06Å; V70-C72 VanDerWaalsContact C-N 3.26Å; V70-C72 PolarHBondContact O-N 3.43Å; V70-L73 PolarHBondContact O-N 3.33Å; V70-L73 VanDerWaalsContact O-N 3.14Å; V70-V74 PolarHBondContact O-N 2.78Å; V70-L418 HydrophobicContact CG2-CD2 3.57Å; V70-E421 HydrophobicContact CG1-CB 4.42Å; V70-L422 HydrophobicContact CG1-CB 3.68Å; V70-L422 HydrophobicContact CG1-CD1 3.63Å; V70-L422 HydrophobicContact CG1-CG 4.23Å
71V72.8Confident79Confident1 Ų164.3 Ų64.31%0.00634%0.341CS..Hα-helixtrans-62.8-32.2178.4171.70000112.1G67 I69 P75 F425 L439G67-V71 WeakPolarHBondContact O-CB 3.47Å; G67-V71 VanDerWaalsContact O-CG2 3.28Å; G67-V71 WeakPolarHBondContact O-CG2 3.4Å; G67-V71 PolarHBondContact O-N 3.49Å; I69-V71 PolarHBondContact O-N 3.46Å; V71-P75 WeakPolarHBondContact O-CD 3.28Å; V71-F425 HydrophobicContact CB-CD2 4.24Å; V71-F425 HydrophobicContact CB-CE2 4.39Å; V71-F425 HydrophobicContact CB-CG 4.38Å; V71-F425 HydrophobicContact CG1-CD2 3.65Å; V71-F425 HydrophobicContact CG1-CE1 4.28Å; V71-F425 HydrophobicContact CG1-CE2 3.4Å; V71-F425 HydrophobicContact CG1-CG 4.21Å; V71-F425 HydrophobicContact CG1-CZ 3.73Å; V71-F425 HydrophobicContact CG2-CB 4.03Å; V71-F425 HydrophobicContact CG2-CD1 4.49Å; V71-F425 HydrophobicContact CG2-CD2 3.79Å; V71-F425 HydrophobicContact CG2-CE2 4.41Å; V71-F425 HydrophobicContact CG2-CG 3.84Å; V71-L439 HydrophobicContact CB-CD2 4.05Å; V71-L439 HydrophobicContact CG1-CD1 4.47Å; V71-L439 HydrophobicContact CG1-CD2 3.32Å; V71-L439 HydrophobicContact CG1-CG 3.55Å
72C75.5Confident78.2Confident81 Ų8162.3 Ų62.355%0.54733%0.327SS..Hα-helixtrans-71.3-33.1176.1-166.80000112.8L68 I69 V70L68-C72 WeakPolarHBondContact O-CB 3.47Å; L68-C72 PolarHBondContact O-N 3.45Å; I69-C72 WeakPolarHBondContact O-CB 3.35Å; I69-C72 PolarHBondContact O-N 2.85Å; I69-C72 VanDerWaalsContact O-N 3.13Å; V70-C72 VanDerWaalsContact C-N 3.26Å; V70-C72 PolarHBondContact O-N 3.43Å
73L76.3Confident77.3Confident100 Ų10061 Ų6152%0.52432%0.321SS..Hα-helixtrans-75.7-41.2-176.1-71.2169.6000113.3I69 V70 L76I69-L73 HydrophobicContact CG2-CD1 4.1Å; I69-L73 WeakPolarHBondContact O-CG 3.46Å; I69-L73 PolarHBondContact O-N 3.07Å; I69-L73 VanDerWaalsContact O-N 3.09Å; V70-L73 PolarHBondContact O-N 3.33Å; V70-L73 VanDerWaalsContact O-N 3.14Å; L73-L76 WeakPolarHBondContact O-CB 3.39Å; L73-L76 PolarHBondContact O-N 3.01Å
74V73.6Confident76.7Confident4 Ų462.1 Ų62.12%0.02433%0.328CS..G310 helixtrans-59-42-174.2168.10000113.8V70 L76 M77 Y82 L89 L422 F425 L429V70-V74 PolarHBondContact O-N 2.78Å; V74-L76 PolarHBondContact O-N 2.88Å; V74-M77 WeakPolarHBondContact O-CB 3.27Å; V74-M77 WeakPolarHBondContact O-CG 3.16Å; V74-M77 PolarHBondContact O-N 3.24Å; V74-Y82 HydrophobicContact CG1-CD2 4.3Å; V74-Y82 HydrophobicContact CG1-CE2 3.69Å; V74-L89 HydrophobicContact CG2-CD1 4.26Å; V74-L422 HydrophobicContact CG2-CD1 3.96Å; V74-F425 HydrophobicContact CB-CD1 3.85Å; V74-F425 HydrophobicContact CB-CE1 3.7Å; V74-F425 HydrophobicContact CG1-CD1 3.86Å; V74-F425 HydrophobicContact CG1-CE1 3.68Å; V74-F425 HydrophobicContact CG2-CD1 4.26Å; V74-L429 HydrophobicContact CG1-CD1 4.18Å
75P73Confident76.4Confident59 Ų5962.3 Ų62.338%0.38333%0.328SS..G310 helixtrans-66.4-16.4174.8-23.435.7000115.1V71 M77 F425 V435V71-P75 WeakPolarHBondContact O-CD 3.28Å; P75-M77 VanDerWaalsContact C-N 3.3Å; P75-F425 HydrophobicContact CG-CE1 4.1Å; P75-F425 HydrophobicContact CG-CZ 4.02Å; P75-V435 HydrophobicContact CB-CG2 4.44Å; P75-V435 HydrophobicContact CG-CG1 4.02Å; P75-V435 HydrophobicContact CG-CG2 4Å
76L78.9Confident76Confident140 Ų14056.8 Ų56.873%0.73330%0.304SS*.G310 helixtrans-82.8-9.7176.3-56.6175.5000112.3L73 V74L73-L76 WeakPolarHBondContact O-CB 3.39Å; L73-L76 PolarHBondContact O-N 3.01Å; V74-L76 PolarHBondContact O-N 2.88Å
77M75.5Confident75.9Confident60 Ų6056.4 Ų56.430%0.29630%0.302SS..SBendtrans-77.1140.3-176.4-54.9-169.683.400112.1V74 P75 F81 V85V74-M77 WeakPolarHBondContact O-CB 3.27Å; V74-M77 WeakPolarHBondContact O-CG 3.16Å; V74-M77 PolarHBondContact O-N 3.24Å; P75-M77 VanDerWaalsContact C-N 3.3Å; M77-F81 HydrophobicContact CE-CD1 3.65Å; M77-F81 HydrophobicContact CE-CE1 3.74Å; M77-V85 HydrophobicContact CE-CB 4.21Å; M77-V85 HydrophobicContact CE-CG1 3.9Å; M77-V85 HydrophobicContact CE-CG2 3.75Å; M77-V85 HydrophobicContact SD-CB 4.5Å; M77-V85 HydrophobicContact SD-CG1 3.92Å
78S74.2Confident76.3Confident77 Ų7758.5 Ų58.554%0.53831%0.31SS..  trans-64.5141.717981.30000111.6S80 F81 Y82S78-S80 PolarHBondContact O-N 3.41Å; S78-F81 PolarHBondContact O-N 3.48Å; S78-Y82 PolarHBondContact O-N 3.37Å
79R71.3Confident76.6Confident148 Ų14856.4 Ų56.456%0.55830%0.3SS*.Hα-helixtrans-52.7-26179.5-67.8-175.3179173.21114.8Y340R79-Y340 VanDerWaalsContact NH1-CG 3.34Å; R79-Y340 VanDerWaalsContact NH2-CE2 3.34Å
80S69.6Low76.9Confident73 Ų7351.5 Ų51.551%0.5127%0.274SS..Hα-helixtrans-79.2-20.2-180-1670000113.4S78S78-S80 PolarHBondContact O-N 3.41Å
81F77Confident77.9Confident103 Ų10350.8 Ų50.845%0.45227%0.27SS..Hα-helixtrans-105-31.4179.4-167.3-137.9000111.4M77 S78 N83 V84 V85M77-F81 HydrophobicContact CE-CD1 3.65Å; M77-F81 HydrophobicContact CE-CE1 3.74Å; S78-F81 PolarHBondContact O-N 3.48Å; F81-N83 PolarHBondContact O-N 2.98Å; F81-V84 PolarHBondContact O-N 3.27Å; F81-V85 HydrophobicContact CD1-CG2 3.44Å; F81-V85 VanDerWaalsContact CD1-CG2 3.44Å; F81-V85 HydrophobicContact CD2-CG2 3.75Å; F81-V85 HydrophobicContact CE1-CG2 3.25Å; F81-V85 HydrophobicContact CE2-CG2 3.57Å; F81-V85 HydrophobicContact CG-CG2 3.68Å; F81-V85 HydrophobicContact CZ-CG2 3.31Å; F81-V85 WeakPolarHBondContact O-CG2 3.38Å; F81-V85 PolarHBondContact O-N 3.25Å
82Y76.3Confident78.8Confident47 Ų4751.3 Ų51.318%0.18427%0.273CS..Hα-helixtrans-40.2-57.7177.6-176.9-96.2000113.1V74 S78 V84 V85 T86 L429V74-Y82 HydrophobicContact CG1-CD2 4.3Å; V74-Y82 HydrophobicContact CG1-CE2 3.69Å; S78-Y82 PolarHBondContact O-N 3.37Å; Y82-V84 PolarHBondContact O-N 3.49Å; Y82-V85 PolarHBondContact O-N 3.12Å; Y82-T86 VanDerWaalsContact O-CB 3.28Å; Y82-T86 WeakPolarHBondContact O-CB 3.32Å; Y82-T86 PolarHBondContact O-N 3.46Å; Y82-T86 PolarHBondContact O-OG1 3.14Å; Y82-L429 HydrophobicContact CE2-CD1 4.21Å; Y82-L429 WeakPolarHBondContact OH-CB 3.5Å; Y82-L429 WeakPolarHBondContact OH-CD1 3.29Å
83N73.1Confident79.4Confident68 Ų6847.5 Ų47.536%0.36425%0.247SC..Hα-helixtrans-61.2-40.3-177.9-63.1-0.3000113.8F81 Q87 L494F81-N83 PolarHBondContact O-N 2.98Å; N83-Q87 VanDerWaalsContact O-CG 3.23Å; N83-Q87 WeakPolarHBondContact O-CG 3.24Å; N83-Q87 PolarHBondContact O-N 2.76Å; N83-L494 HydrophobicContact CB-CD1 4.21Å; N83-L494 VanDerWaalsContact ND2-CD2 3.25Å; N83-L494 WeakPolarHBondContact ND2-CD2 3.48Å
84V78.5Confident80.1Confident25 Ų2542.7 Ų42.715%0.15222%0.222CC..Hα-helixtrans-69.8-42.1-179.4178.50000109.9F81 Y82 F88 W509F81-V84 PolarHBondContact O-N 3.27Å; Y82-V84 PolarHBondContact O-N 3.49Å; V84-F88 PolarHBondContact O-N 2.88Å; V84-F88 VanDerWaalsContact O-N 3.13Å; V84-W509 HydrophobicContact CG1-CD2 4.41Å; V84-W509 HydrophobicContact CG1-CG 4.15Å
85V80.4Confident81Confident17 Ų1742.5 Ų42.510%0.10322%0.221CC..Hα-helixtrans-63.9-59176.2172.90000109.9M77 F81 Y82 Q87 F88 L89M77-V85 HydrophobicContact CE-CB 4.21Å; M77-V85 HydrophobicContact CE-CG1 3.9Å; M77-V85 HydrophobicContact CE-CG2 3.75Å; M77-V85 HydrophobicContact SD-CB 4.5Å; M77-V85 HydrophobicContact SD-CG1 3.92Å; F81-V85 HydrophobicContact CD1-CG2 3.44Å; F81-V85 VanDerWaalsContact CD1-CG2 3.44Å; F81-V85 HydrophobicContact CD2-CG2 3.75Å; F81-V85 HydrophobicContact CE1-CG2 3.25Å; F81-V85 HydrophobicContact CE2-CG2 3.57Å; F81-V85 HydrophobicContact CG-CG2 3.68Å; F81-V85 HydrophobicContact CZ-CG2 3.31Å; F81-V85 WeakPolarHBondContact O-CG2 3.38Å; F81-V85 PolarHBondContact O-N 3.25Å; Y82-V85 PolarHBondContact O-N 3.12Å; V85-Q87 PolarHBondContact O-N 3.27Å; V85-F88 CarbonylContact O-C 3.57Å; V85-F88 WeakPolarHBondContact O-CA 3.3Å; V85-F88 WeakPolarHBondContact O-CB 3.47Å; V85-F88 PolarHBondContact O-N 3.27Å; V85-L89 HydrophobicContact CG1-CD1 3.6Å; V85-L89 HydrophobicContact CG1-CD2 4.05Å; V85-L89 HydrophobicContact CG1-CG 3.7Å; V85-L89 VanDerWaalsContact O-CG 3.29Å; V85-L89 WeakPolarHBondContact O-CG 3.43Å; V85-L89 PolarHBondContact O-N 3.36Å
86T78.2Confident81.9Confident7 Ų739.7 Ų39.74%0.04320%0.203CC..Hα-helixtrans-44.6-41.7176.5-730000112.9Y82 L89 I90 A426Y82-T86 VanDerWaalsContact O-CB 3.28Å; Y82-T86 WeakPolarHBondContact O-CB 3.32Å; Y82-T86 PolarHBondContact O-N 3.46Å; Y82-T86 PolarHBondContact O-OG1 3.14Å; T86-L89 PolarHBondContact O-N 2.89Å; T86-I90 HydrophobicContact CG2-CD1 3.76Å; T86-I90 WeakPolarHBondContact O-CD1 3.42Å; T86-I90 VanDerWaalsContact O-CG1 3.24Å; T86-I90 WeakPolarHBondContact O-CG1 3.28Å; T86-I90 PolarHBondContact O-N 3.19Å; T86-A426 HydrophobicContact CG2-CB 3.81Å
87Q81.8Confident82.4Confident4 Ų433.3 Ų33.32%0.01917%0.169CC..Hα-helixtrans-70.1-38.9176.4-70.3-63.7-53.200114N83 V85 L89 A91 N492 L506N83-Q87 VanDerWaalsContact O-CG 3.23Å; N83-Q87 WeakPolarHBondContact O-CG 3.24Å; N83-Q87 PolarHBondContact O-N 2.76Å; V85-Q87 PolarHBondContact O-N 3.27Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; Q87-A91 WeakPolarHBondContact O-CB 3.4Å; Q87-A91 PolarHBondContact O-N 2.94Å; Q87-A91 VanDerWaalsContact O-N 3.14Å; Q87-N492 PolarHBondContact NE2-ND2 2.68Å; Q87-L506 HydrophobicContact CB-CD1 3.48Å; Q87-L506 VanDerWaalsContact CB-CD1 3.48Å; Q87-L506 HydrophobicContact CG-CD1 3.62Å
88F87.8Confident83.2Confident43 Ų4330.6 Ų30.619%0.18916%0.156CC..Hα-helixtrans-65-36169.4170.9-103.1000112.2V84 V85 A91 L92 W509 L512 L516V84-F88 PolarHBondContact O-N 2.88Å; V84-F88 VanDerWaalsContact O-N 3.13Å; V85-F88 CarbonylContact O-C 3.57Å; V85-F88 WeakPolarHBondContact O-CA 3.3Å; V85-F88 WeakPolarHBondContact O-CB 3.47Å; V85-F88 PolarHBondContact O-N 3.27Å; F88-A91 PolarHBondContact O-N 2.93Å; F88-L92 VanDerWaalsContact O-CB 3.32Å; F88-L92 WeakPolarHBondContact O-CB 3.22Å; F88-L92 PolarHBondContact O-N 3.07Å; F88-W509 HydrophobicContact CB-CE3 4.18Å; F88-W509 AromaticContact CD2-CE3 3.73Å; F88-W509 HydrophobicContact CD2-CE3 3.73Å; F88-W509 HydrophobicContact CD2-CZ3 4.26Å; F88-W509 WeakPolarHBondContact CD2-O 3.46Å; F88-W509 HydrophobicContact CE2-CE3 4.31Å; F88-W509 HydrophobicContact CE2-CZ3 4.49Å; F88-W509 AromaticContact CG-CE3 3.99Å; F88-W509 HydrophobicContact CG-CE3 3.99Å; F88-W509 HydrophobicContact CG-CZ3 4.47Å; F88-L512 HydrophobicContact CE2-CB 4.4Å; F88-L516 HydrophobicContact CE2-CD2 4.49Å; F88-L516 HydrophobicContact CZ-CD2 3.85Å
89L86.3Confident84.1Confident10 Ų1027 Ų275%0.05213%0.131CC..Hα-helixtrans-70.1-48.2179.6-61-176.7000112.6V74 V85 T86 Q87 A91 L92 A93 L422V74-L89 HydrophobicContact CG2-CD1 4.26Å; V85-L89 HydrophobicContact CG1-CD1 3.6Å; V85-L89 HydrophobicContact CG1-CD2 4.05Å; V85-L89 HydrophobicContact CG1-CG 3.7Å; V85-L89 VanDerWaalsContact O-CG 3.29Å; V85-L89 WeakPolarHBondContact O-CG 3.43Å; V85-L89 PolarHBondContact O-N 3.36Å; T86-L89 PolarHBondContact O-N 2.89Å; Q87-L89 VanDerWaalsContact C-N 3.34Å; L89-A91 PolarHBondContact O-N 3.33Å; L89-L92 WeakPolarHBondContact O-CB 2.99Å; L89-L92 PolarHBondContact O-N 3.16Å; L89-A93 PolarHBondContact O-N 3.16Å; L89-L422 HydrophobicContact CB-CG 4.13Å; L89-L422 HydrophobicContact CD1-CD1 3.4Å; L89-L422 VanDerWaalsContact CD1-CD1 3.4Å; L89-L422 HydrophobicContact CD1-CD2 4.49Å; L89-L422 HydrophobicContact CD1-CG 3.61Å; L89-L422 HydrophobicContact CD2-CD1 3.89Å; L89-L422 HydrophobicContact CD2-CD2 3.41Å; L89-L422 VanDerWaalsContact CD2-CD2 3.41Å; L89-L422 HydrophobicContact CD2-CG 3.45Å; L89-L422 VanDerWaalsContact CD2-CG 3.45Å; L89-L422 HydrophobicContact CG-CD1 4.13Å; L89-L422 HydrophobicContact CG-CD2 4.35Å; L89-L422 HydrophobicContact CG-CG 3.84Å
90I85.4Confident84.9Confident0 Ų020 Ų200%011%0.105CC..Hα-helixtrans-60.8-38.8174.4-62.9163.4000109.5T86 A93 V94 A426 V427 M485 E488 L489T86-I90 HydrophobicContact CG2-CD1 3.76Å; T86-I90 WeakPolarHBondContact O-CD1 3.42Å; T86-I90 VanDerWaalsContact O-CG1 3.24Å; T86-I90 WeakPolarHBondContact O-CG1 3.28Å; T86-I90 PolarHBondContact O-N 3.19Å; I90-A93 PolarHBondContact O-N 2.84Å; I90-V94 WeakPolarHBondContact O-CG2 3.26Å; I90-V94 PolarHBondContact O-N 3Å; I90-A426 HydrophobicContact CG1-CB 4.24Å; I90-V427 HydrophobicContact CD1-CG2 3.8Å; I90-V427 HydrophobicContact CG1-CG2 3.78Å; I90-V427 HydrophobicContact CG2-CG2 4.46Å; I90-M485 HydrophobicContact CG2-CB 4.23Å; I90-E488 HydrophobicContact CD1-CG 4.18Å; I90-L489 HydrophobicContact CB-CD2 3.76Å; I90-L489 HydrophobicContact CG2-CD2 3.57Å; I90-L489 HydrophobicContact CG2-CG 3.94Å
91A90.4Very high85.8Confident0 Ų016.5 Ų16.50%08%0.081CC..Hα-helixtrans-67.4-38177.200000112.8Q87 F88 L89 G95 L489 Q510 G513 I514Q87-A91 WeakPolarHBondContact O-CB 3.4Å; Q87-A91 PolarHBondContact O-N 2.94Å; Q87-A91 VanDerWaalsContact O-N 3.14Å; F88-A91 PolarHBondContact O-N 2.93Å; L89-A91 PolarHBondContact O-N 3.33Å; A91-G95 PolarHBondContact O-N 3.15Å; A91-G95 VanDerWaalsContact O-N 3.12Å; A91-L489 HydrophobicContact CB-CD1 4.16Å; A91-L489 HydrophobicContact CB-CD2 3.96Å; A91-Q510 HydrophobicContact CB-CB 4.27Å; A91-Q510 HydrophobicContact CB-CG 4.5Å; A91-Q510 VanDerWaalsContact CB-O 3.29Å; A91-Q510 WeakPolarHBondContact CB-O 3.37Å; A91-G513 CarbonylContact O-C 3.55Å; A91-I514 HydrophobicContact CB-CG1 4.1Å; A91-I514 VanDerWaalsContact O-CA 3.28Å; A91-I514 WeakPolarHBondContact O-CA 3.39Å; A91-I514 VanDerWaalsContact O-CG1 3.27Å; A91-I514 WeakPolarHBondContact O-CG1 3.42Å; A91-I514 PolarHBondContact O-N 3.11Å
92L91.3Very high86.6Confident12 Ų1217 Ų176%0.0638%0.083CC..Hα-helixtrans-60.2-49.1172.4-172.671000110.9F88 L89 V94 G95 S96 P419 L422 G513 L516 I520F88-L92 VanDerWaalsContact O-CB 3.32Å; F88-L92 WeakPolarHBondContact O-CB 3.22Å; F88-L92 PolarHBondContact O-N 3.07Å; L89-L92 WeakPolarHBondContact O-CB 2.99Å; L89-L92 PolarHBondContact O-N 3.16Å; L92-V94 PolarHBondContact O-N 3.25Å; L92-G95 PolarHBondContact O-N 3.35Å; L92-G95 VanDerWaalsContact O-N 3.13Å; L92-S96 PolarHBondContact O-N 3.34Å; L92-S96 PolarHBondContact O-OG 3.2Å; L92-P419 HydrophobicContact CD2-CB 4.09Å; L92-P419 HydrophobicContact CD2-CG 4.26Å; L92-P419 HydrophobicContact CG-CB 4.07Å; L92-P419 HydrophobicContact CG-CG 4.45Å; L92-L422 HydrophobicContact CD2-CD2 4.4Å; L92-G513 WeakPolarHBondContact CA-O 3.31Å; L92-L516 HydrophobicContact CD1-CB 3.78Å; L92-L516 HydrophobicContact CD1-CD2 3.8Å; L92-L516 HydrophobicContact CD1-CG 3.69Å; L92-I520 HydrophobicContact CD1-CD1 4.2Å
93A88.6Confident87.1Confident0 Ų017.8 Ų17.80%09%0.09CC..Hα-helixtrans-62.5-39.7178.400000113.1L89 I90 G95 S96 L97 M485L89-A93 PolarHBondContact O-N 3.16Å; I90-A93 PolarHBondContact O-N 2.84Å; A93-G95 VanDerWaalsContact C-N 3.32Å; A93-G95 PolarHBondContact O-N 2.94Å; A93-S96 WeakPolarHBondContact CA-OG 3.29Å; A93-S96 PolarHBondContact O-N 3.11Å; A93-S96 PolarHBondContact O-OG 3.04Å; A93-L97 VanDerWaalsContact O-CB 3.3Å; A93-L97 WeakPolarHBondContact O-CB 3.36Å; A93-L97 WeakPolarHBondContact O-CG 3.37Å; A93-L97 PolarHBondContact O-N 3.38Å; A93-M485 HydrophobicContact CB-CE 3.79Å; A93-M485 HydrophobicContact CB-SD 3.6Å
94V91.2Very high87.5Confident0 Ų015.7 Ų15.70%08%0.078CC..Hα-helixtrans-59-43.9171.6168.30000111.3I90 L92 A98 M485 M486 L489 I514I90-V94 WeakPolarHBondContact O-CG2 3.26Å; I90-V94 PolarHBondContact O-N 3Å; L92-V94 PolarHBondContact O-N 3.25Å; V94-A98 WeakPolarHBondContact O-CB 3.43Å; V94-A98 PolarHBondContact O-N 3.03Å; V94-M485 HydrophobicContact CG2-CB 3.36Å; V94-M485 HydrophobicContact CG2-CG 4.37Å; V94-M485 HydrophobicContact CG2-SD 4.08Å; V94-M486 HydrophobicContact CG1-CE 3.55Å; V94-L489 HydrophobicContact CG2-CD1 4.04Å; V94-I514 HydrophobicContact CB-CG1 4.49Å; V94-I514 HydrophobicContact CG1-CG1 4.31Å
95G92.8Very high87.8Confident0 Ų015 Ų150%07%0.073CC..Hα-helixtrans-65.7-42.3177.900000112.7A91 L92 A93 G99 Y518A91-G95 PolarHBondContact O-N 3.15Å; A91-G95 VanDerWaalsContact O-N 3.12Å; L92-G95 PolarHBondContact O-N 3.35Å; L92-G95 VanDerWaalsContact O-N 3.13Å; A93-G95 VanDerWaalsContact C-N 3.32Å; A93-G95 PolarHBondContact O-N 2.94Å; G95-G99 WeakPolarHBondContact O-CA 3.31Å; G95-G99 PolarHBondContact O-N 2.72Å; G95-Y518 WeakPolarHBondContact O-CD1 3.5Å; G95-Y518 VanDerWaalsContact O-CE1 3.31Å; G95-Y518 WeakPolarHBondContact O-CE1 3.2Å
96S91.1Very high88.2Confident0 Ų015.5 Ų15.50%08%0.075CC..Hα-helixtrans-75-44179.9580000112.8L92 A93 A98 G99 D100 P419 H420 M521L92-S96 PolarHBondContact O-N 3.34Å; L92-S96 PolarHBondContact O-OG 3.2Å; A93-S96 WeakPolarHBondContact CA-OG 3.29Å; A93-S96 PolarHBondContact O-N 3.11Å; A93-S96 PolarHBondContact O-OG 3.04Å; S96-A98 PolarHBondContact O-N 2.85Å; S96-G99 CarbonylContact O-C 3.59Å; S96-G99 PolarHBondContact O-N 2.92Å; S96-D100 VanDerWaalsContact O-CB 3.27Å; S96-D100 WeakPolarHBondContact O-CB 3.35Å; S96-D100 PolarHBondContact O-N 2.99Å; S96-P419 WeakPolarHBondContact OG-CB 3.48Å; S96-H420 PolarHBondContact OG-CD2 3.49Å; S96-M521 WeakPolarHBondContact O-CG 3.34Å
97L89.7Confident88.4Confident5 Ų518 Ų183%0.0269%0.091CC..Hα-helixtrans-60.4-45.7177.6-79.3163.9000112.3A93 A101 F477 I480 A481 M485A93-L97 VanDerWaalsContact O-CB 3.3Å; A93-L97 WeakPolarHBondContact O-CB 3.36Å; A93-L97 WeakPolarHBondContact O-CG 3.37Å; A93-L97 PolarHBondContact O-N 3.38Å; L97-A101 PolarHBondContact O-N 2.8Å; L97-F477 HydrophobicContact CD2-CB 4.01Å; L97-F477 HydrophobicContact CD2-CD1 4.4Å; L97-F477 HydrophobicContact CD2-CG 4.11Å; L97-I480 HydrophobicContact CD1-CB 4.25Å; L97-I480 HydrophobicContact CD1-CG2 3.69Å; L97-A481 HydrophobicContact CB-CB 3.78Å; L97-M485 HydrophobicContact CD1-CE 3.94Å; L97-M485 HydrophobicContact CD1-SD 3.83Å
98A92.7Very high88.2Confident3 Ų320.7 Ų20.73%0.02510%0.104CC..Hα-helixtrans-71.4-36.3176.700000111.6V94 S96 F102 A481 Y518V94-A98 WeakPolarHBondContact O-CB 3.43Å; V94-A98 PolarHBondContact O-N 3.03Å; S96-A98 PolarHBondContact O-N 2.85Å; A98-F102 VanDerWaalsContact O-CD2 3.24Å; A98-F102 WeakPolarHBondContact O-CD2 3.17Å; A98-F102 PolarHBondContact O-N 3.07Å; A98-A481 HydrophobicContact CB-CB 4.04Å; A98-Y518 HydrophobicContact CB-CE1 3.98Å
99G92.1Very high87.8Confident2 Ų218.7 Ų18.72%0.02110%0.095CC..Hα-helixtrans-61.3-43.3173.600000112.3G95 S96 F102 L103G95-G99 WeakPolarHBondContact O-CA 3.31Å; G95-G99 PolarHBondContact O-N 2.72Å; S96-G99 CarbonylContact O-C 3.59Å; S96-G99 PolarHBondContact O-N 2.92Å; G99-F102 PolarHBondContact O-N 3.24Å; G99-L103 WeakPolarHBondContact O-CA 3.03Å; G99-L103 WeakPolarHBondContact O-CB 3.47Å; G99-L103 WeakPolarHBondContact O-CG 3.41Å; G99-L103 PolarHBondContact O-N 2.87Å
100D88.1Confident87.5Confident0 Ų021.6 Ų21.60%011%0.107CC..Hα-helixtrans-64.2-49.7-179.5-168.467.8000111.8S96 F102 H104 L105 H416 F477 M521S96-D100 VanDerWaalsContact O-CB 3.27Å; S96-D100 WeakPolarHBondContact O-CB 3.35Å; S96-D100 PolarHBondContact O-N 2.99Å; D100-F102 VanDerWaalsContact C-N 3.35Å; D100-F102 PolarHBondContact O-N 3.17Å; D100-H104 WeakPolarHBondContact O-CA 3.3Å; D100-H104 WeakPolarHBondContact O-CB 3.37Å; D100-H104 PolarHBondContact O-N 3.43Å; D100-L105 PolarHBondContact O-N 2.94Å; D100-H416 IonicContact OD1-CE1 2.72Å; D100-H416 PolarHBondContact OD1-CE1 2.88Å; D100-H416 IonicContact OD1-ND1 3.6Å; D100-H416 PolarHBondContact OD1-ND1 2.97Å; D100-F477 VanDerWaalsContact OD2-CD2 3.27Å; D100-F477 WeakPolarHBondContact OD2-CD2 3.28Å; D100-F477 VanDerWaalsContact OD2-CE2 3.24Å; D100-F477 WeakPolarHBondContact OD2-CE2 3.32Å; D100-M521 HydrophobicContact CB-CE 3.65Å; D100-M521 HydrophobicContact CB-SD 4.41Å; D100-M521 WeakPolarHBondContact OD1-CE 3.29Å
101A90.1Very high86.7Confident0 Ų024.2 Ų24.20%013%0.126CC..Iπ-helixtrans-56.3-45.6174.900000113.1L97 I106 A474 F477 I478L97-A101 PolarHBondContact O-N 2.8Å; A101-I106 VanDerWaalsContact O-CB 3.29Å; A101-I106 WeakPolarHBondContact O-CB 3.17Å; A101-I106 WeakPolarHBondContact O-CD1 3.41Å; A101-I106 WeakPolarHBondContact O-CG1 3.38Å; A101-I106 PolarHBondContact O-N 3.03Å; A101-I106 VanDerWaalsContact O-N 3.1Å; A101-A474 HydrophobicContact CB-CB 4.08Å; A101-F477 HydrophobicContact CB-CB 4.29Å; A101-I478 HydrophobicContact CB-CD1 4.12Å; A101-I478 HydrophobicContact CB-CG1 3.66Å
102F92.2Very high85.2Confident115 Ų11526.3 Ų26.350%0.50414%0.137SC..Iπ-helixtrans-89.5-26.1-172.6-75.9-63.3000115.5A98 G99 D100 I106 P107 I478A98-F102 VanDerWaalsContact O-CD2 3.24Å; A98-F102 WeakPolarHBondContact O-CD2 3.17Å; A98-F102 PolarHBondContact O-N 3.07Å; G99-F102 PolarHBondContact O-N 3.24Å; D100-F102 VanDerWaalsContact C-N 3.35Å; D100-F102 PolarHBondContact O-N 3.17Å; F102-I106 HydrophobicContact CD1-CD1 4.02Å; F102-I106 HydrophobicContact CE1-CD1 4.24Å; F102-P107 WeakPolarHBondContact O-CD 3.38Å; F102-P107 WeakPolarHBondContact O-CG 3.44Å; F102-I478 HydrophobicContact CE1-CD1 4.07Å; F102-I478 HydrophobicContact CE2-CD1 4.09Å; F102-I478 HydrophobicContact CE2-CG1 4.03Å; F102-I478 HydrophobicContact CZ-CD1 3.7Å; F102-I478 HydrophobicContact CZ-CG1 4.13Å
103L88.5Confident83.3Confident62 Ų6226.4 Ų26.433%0.32514%0.139SC..Iπ-helixtrans-109-22.8-173.9-54.4175.9000113.3G99 M521 L522 A525G99-L103 WeakPolarHBondContact O-CA 3.03Å; G99-L103 WeakPolarHBondContact O-CB 3.47Å; G99-L103 WeakPolarHBondContact O-CG 3.41Å; G99-L103 PolarHBondContact O-N 2.87Å; L103-M521 HydrophobicContact CD1-CB 4.26Å; L103-L522 HydrophobicContact CD1-CB 4.01Å; L103-L522 HydrophobicContact CD1-CD1 4.04Å; L103-L522 HydrophobicContact CD2-CD1 4.5Å; L103-A525 HydrophobicContact CB-CB 4.2Å; L103-A525 WeakPolarHBondContact O-CB 3.33Å
104H81.2Confident81Confident24 Ų2429.3 Ų29.311%0.11117%0.169CC..Iπ-helixtrans-109.9-68.8179.9-171.9-94.1000111.1D100 P107 H108 E528D100-H104 WeakPolarHBondContact O-CA 3.3Å; D100-H104 WeakPolarHBondContact O-CB 3.37Å; D100-H104 PolarHBondContact O-N 3.43Å; H104-P107 WeakPolarHBondContact O-CD 3.41Å; H104-H108 VanDerWaalsContact O-CB 3.3Å; H104-H108 WeakPolarHBondContact O-CB 3.46Å; H104-H108 PolarHBondContact O-N 2.9Å; H104-E528 IonicContact CD2-OE1 3.27Å; H104-E528 IonicContact CD2-OE2 3.34Å; H104-E528 PolarHBondContact CD2-OE2 2.86Å; H104-E528 IonicContact CE1-OE1 3.86Å; H104-E528 VanDerWaalsContact NE2-CD 3.26Å; H104-E528 IonicContact NE2-OE1 3.81Å; H104-E528 PolarHBondContact NE2-OE1 3.36Å; H104-E528 IonicContact NE2-OE2 3.99Å; H104-E528 PolarHBondContact NE2-OE2 2.75Å
105L84.8Confident79Confident10 Ų1037.6 Ų37.65%0.05221%0.207CC..Iπ-helixtrans-67-50.6-169-63.6179.2000114.4D100 H108 A109 F470 A473 A474 F477D100-L105 PolarHBondContact O-N 2.94Å; L105-H108 PolarHBondContact O-N 2.95Å; L105-A109 WeakPolarHBondContact O-CB 3.44Å; L105-A109 PolarHBondContact O-N 3.49Å; L105-F470 HydrophobicContact CB-CB 4.44Å; L105-F470 HydrophobicContact CD2-CB 4.04Å; L105-F470 HydrophobicContact CD2-CD1 3.88Å; L105-F470 HydrophobicContact CD2-CG 4.07Å; L105-A473 HydrophobicContact CD1-CB 3.81Å; L105-A474 HydrophobicContact CB-CB 3.88Å; L105-A474 HydrophobicContact CD1-CB 4.1Å; L105-F477 HydrophobicContact CD1-CD2 3.66Å; L105-F477 HydrophobicContact CD1-CE2 3.46Å; L105-F477 VanDerWaalsContact CD1-CE2 3.46Å; L105-F477 HydrophobicContact CD1-CZ 4.35Å
106I87.4Confident76.4Confident29 Ų2943.4 Ų43.415%0.14923%0.233CC..Hα-helixtrans-64.2-46.6180-72.2168.3000111.4A101 F102 A109 F110 M471 A474 I478A101-I106 VanDerWaalsContact O-CB 3.29Å; A101-I106 WeakPolarHBondContact O-CB 3.17Å; A101-I106 WeakPolarHBondContact O-CD1 3.41Å; A101-I106 WeakPolarHBondContact O-CG1 3.38Å; A101-I106 PolarHBondContact O-N 3.03Å; A101-I106 VanDerWaalsContact O-N 3.1Å; F102-I106 HydrophobicContact CD1-CD1 4.02Å; F102-I106 HydrophobicContact CE1-CD1 4.24Å; I106-A109 PolarHBondContact O-N 3.44Å; I106-F110 HydrophobicContact CG2-CD2 3.73Å; I106-F110 HydrophobicContact CG2-CE2 3.34Å; I106-F110 HydrophobicContact CG2-CZ 4.16Å; I106-F110 VanDerWaalsContact O-CD2 3.32Å; I106-F110 WeakPolarHBondContact O-CD2 3.32Å; I106-F110 WeakPolarHBondContact O-CG 3.44Å; I106-F110 PolarHBondContact O-N 3.21Å; I106-F110 VanDerWaalsContact O-N 3.16Å; I106-M471 HydrophobicContact CB-SD 4.45Å; I106-M471 HydrophobicContact CG1-CE 4.31Å; I106-M471 HydrophobicContact CG1-SD 4.01Å; I106-A474 HydrophobicContact CD1-CB 4.08Å; I106-A474 HydrophobicContact CG1-CB 3.66Å; I106-I478 HydrophobicContact CD1-CD1 4.25Å
107P83.2Confident74Confident58 Ų5851.5 Ų51.538%0.37727%0.271SS..Hα-helixtrans-60-44.4174.4-28.738.7000113.8F102 H104 A109 F110 S111F102-P107 WeakPolarHBondContact O-CD 3.38Å; F102-P107 WeakPolarHBondContact O-CG 3.44Å; H104-P107 WeakPolarHBondContact O-CD 3.41Å; P107-A109 PolarHBondContact O-N 3.13Å; P107-F110 PolarHBondContact O-N 2.85Å; P107-S111 PolarHBondContact O-N 3.36Å; P107-S111 PolarHBondContact O-OG 3.22Å
108H76.6Confident71.6Confident62 Ų6260 Ų6029%0.28731%0.31SS..Hα-helixtrans-62.5-42.1178.9-170.5-45.9000111.8H104 L105 F110 S111 D112 F470H104-H108 VanDerWaalsContact O-CB 3.3Å; H104-H108 WeakPolarHBondContact O-CB 3.46Å; H104-H108 PolarHBondContact O-N 2.9Å; L105-H108 PolarHBondContact O-N 2.95Å; H108-F110 VanDerWaalsContact C-N 3.29Å; H108-F110 PolarHBondContact O-N 3.39Å; H108-S111 WeakPolarHBondContact CA-OG 3.11Å; H108-S111 PolarHBondContact O-N 3.06Å; H108-S111 PolarHBondContact O-OG 3.5Å; H108-D112 IonicContact CE1-OD2 3.31Å; H108-D112 PolarHBondContact CE1-OD2 2.98Å; H108-D112 VanDerWaalsContact CE1-OD2 3.31Å; H108-D112 IonicContact ND1-OD2 3.25Å; H108-D112 PolarHBondContact ND1-OD2 3.27Å; H108-F470 AromaticContact CE1-CE2 3.85Å; H108-F470 AromaticContact ND1-CD2 3.96Å; H108-F470 AromaticContact ND1-CE2 3.86Å
109A79.1Confident68.8Low0 Ų066.9 Ų66.90%035%0.346CS..Hα-helixtrans-61.6-38.4176.100000112.3L105 I106 P107 T467 M471L105-A109 WeakPolarHBondContact O-CB 3.44Å; L105-A109 PolarHBondContact O-N 3.49Å; I106-A109 PolarHBondContact O-N 3.44Å; P107-A109 PolarHBondContact O-N 3.13Å; A109-T467 HydrophobicContact CB-CG2 3.95Å; A109-T467 WeakPolarHBondContact O-CG2 3.47Å; A109-M471 HydrophobicContact CB-CG 3.47Å; A109-M471 VanDerWaalsContact CB-CG 3.47Å; A109-M471 HydrophobicContact CB-SD 3.43Å; A109-M471 WeakPolarHBondContact CB-SD 3.39Å
110F81Confident66.6Low72 Ų7273.6 Ų73.632%0.31638%0.377SS..Hα-helixtrans-77.7-24.2178.1-66.5-36.5000114.4I106 P107 H108 A113 M148 E151 M471I106-F110 HydrophobicContact CG2-CD2 3.73Å; I106-F110 HydrophobicContact CG2-CE2 3.34Å; I106-F110 HydrophobicContact CG2-CZ 4.16Å; I106-F110 VanDerWaalsContact O-CD2 3.32Å; I106-F110 WeakPolarHBondContact O-CD2 3.32Å; I106-F110 WeakPolarHBondContact O-CG 3.44Å; I106-F110 PolarHBondContact O-N 3.21Å; I106-F110 VanDerWaalsContact O-N 3.16Å; P107-F110 PolarHBondContact O-N 2.85Å; H108-F110 VanDerWaalsContact C-N 3.29Å; H108-F110 PolarHBondContact O-N 3.39Å; F110-A113 VanDerWaalsContact O-CB 3.32Å; F110-A113 WeakPolarHBondContact O-CB 3.2Å; F110-A113 PolarHBondContact O-N 3.07Å; F110-M148 HydrophobicContact CD1-CB 4.37Å; F110-M148 HydrophobicContact CD1-CG 4Å; F110-M148 HydrophobicContact CE1-CB 4.08Å; F110-M148 HydrophobicContact CE1-CG 4.22Å; F110-E151 HydrophobicContact CD1-CB 4.47Å; F110-E151 HydrophobicContact CE1-CB 3.95Å; F110-M471 HydrophobicContact CE1-CE 4.08Å; F110-M471 HydrophobicContact CZ-CE 3.92Å
111S69.2Low64.4Low55 Ų5580.7 Ų80.739%0.38541%0.414SS..Hα-helixtrans-66.9-39.617544.60000112.4P107 H108 A113 G114P107-S111 PolarHBondContact O-N 3.36Å; P107-S111 PolarHBondContact O-OG 3.22Å; H108-S111 WeakPolarHBondContact CA-OG 3.11Å; H108-S111 PolarHBondContact O-N 3.06Å; H108-S111 PolarHBondContact O-OG 3.5Å; S111-A113 PolarHBondContact O-N 3.17Å; S111-G114 PolarHBondContact O-N 3.21Å
112D59.2Low62Low44 Ų4488.7 Ų88.724%0.23545%0.452CS..THydrogen-bonded Turntrans-71.7-10.8177.2-61.6-33.4000113H108 G114 K147H108-D112 IonicContact CE1-OD2 3.31Å; H108-D112 PolarHBondContact CE1-OD2 2.98Å; H108-D112 VanDerWaalsContact CE1-OD2 3.31Å; H108-D112 IonicContact ND1-OD2 3.25Å; H108-D112 PolarHBondContact ND1-OD2 3.27Å; D112-G114 PolarHBondContact O-N 3.38Å; D112-K147 PolarHBondContact O-NZ 3.01Å
113A50.3Low59.8Low13 Ų1391.8 Ų91.811%0.10747%0.468CS..THydrogen-bonded Turntrans-70-18.3168.800000113.7F110 S111 K147F110-A113 VanDerWaalsContact O-CB 3.32Å; F110-A113 WeakPolarHBondContact O-CB 3.2Å; F110-A113 PolarHBondContact O-N 3.07Å; S111-A113 PolarHBondContact O-N 3.17Å; A113-K147 HydrophobicContact CB-CD 3.86Å; A113-K147 HydrophobicContact CB-CG 4.18Å
114G41.3Very low57.5Low61 Ų6194.5 Ų94.563%0.62949%0.487SS*.SBendtrans-83.3-24.8-175.700000116.4S111 D112S111-G114 PolarHBondContact O-N 3.21Å; D112-G114 PolarHBondContact O-N 3.38Å
115H48.3Very low55.8Low174 Ų174100.1 Ų100.181%0.80652%0.517SS*.SBendtrans-111.3-3.2-162.3-76.8-68.3000116.9
116F37.6Very low53.9Low122 Ų122107 Ų10754%0.53555%0.553SS.*  trans-104.6120.8177.1-81.7-94.3000112.5
117H40.7Very low52.1Low171 Ų171114.6 Ų114.679%0.79259%0.588SS**  trans129.465.9160.6-71.4-68.7000115.9
118H40.1Very low50.1Low184 Ų184121.2 Ų121.285%0.85261%0.614SS**  trans-118.992.3145.6-81.1-53.6000109.2
119N34Very low48.7Very low146 Ų146126.7 Ų126.778%0.78164%0.639SS**  trans-141.482.3169.4-15311.5000108
120H46.3Very low47.1Very low144 Ų144134.4 Ų134.467%0.66768%0.678SS**  trans-83.7119.8172-78.7-93.6000108.5Q122H120-Q122 PolarHBondContact O-N 3.25Å; H120-Q122 VanDerWaalsContact O-N 3.16Å
121N40.9Very low45.4Very low148 Ų148137.6 Ų137.679%0.79170%0.699SS**  trans-61.5116.4167.6-71.2-16.7000108.8E123N121-E123 VanDerWaalsContact C-N 3.34Å; N121-E123 PolarHBondContact O-N 3.16Å
122Q40.3Very low44.1Very low168 Ų168143.6 Ų143.679%0.78572%0.721SS**  trans-80.680.2175.5-168.7102.343.600109.5H120 T124H120-Q122 PolarHBondContact O-N 3.25Å; H120-Q122 VanDerWaalsContact O-N 3.16Å; Q122-T124 PolarHBondContact O-N 2.92Å
123E46Very low43.5Very low181 Ų181148.3 Ų148.385%0.84674%0.741SS**  trans-72.8118.2159.9-79.7-167.2146.200108.9N121 I125N121-E123 VanDerWaalsContact C-N 3.34Å; N121-E123 PolarHBondContact O-N 3.16Å; E123-I125 PolarHBondContact O-N 2.85Å
124T39.3Very low43.3Very low119 Ų119155.3 Ų155.373%0.7377%0.771SS**  trans-82.1103178.850.40000110.6Q122Q122-T124 PolarHBondContact O-N 2.92Å
125I46.9Very low43.6Very low142 Ų142159.7 Ų159.773%0.72878%0.775SS**  trans-143.4114.2151.1-78.7107.3000108.6E123E123-I125 PolarHBondContact O-N 2.85Å
126D45Very low43.6Very low153 Ų153158.5 Ų158.582%0.81877%0.77SS**  trans43.3132.2143.8-49.8-24.3000122.4
127H48.4Very low44.4Very low189 Ų189156.1 Ų156.188%0.87577%0.768SS**  trans-79.9125.4179.4-63.5-84.2000113.4
128E41.2Very low45Very low197 Ų197154.6 Ų154.692%0.92176%0.763SS**  trans-151.3143.9141.9-130.5175.2160.800111.1
129H47.2Very low45.8Very low178 Ų178149.9 Ų149.982%0.82475%0.751SS**  trans-85126.6-169.8-76.8-99.5000113.1
130I46.4Very low46.9Very low161 Ų161146.6 Ų146.683%0.82674%0.74SS**  trans-138.1131.2151.1-58.3-176.4000108.8E132I130-E132 PolarHBondContact O-N 3.03Å
131D45.8Very low47.7Very low139 Ų139147 Ų14774%0.74374%0.739SS**  trans-73.4113.8178.9-58.4-68.2000112.2
132E41Very low49.2Very low181 Ų181144.7 Ų144.785%0.84673%0.726SS**  trans-126.8104.7157.7-93.5-159.8146.800111.4I130I130-E132 PolarHBondContact O-N 3.03Å
133H46.4Very low50.7Low144 Ų144140 Ų14067%0.66771%0.712SS**  trans-82.5157.7171.4-80.8-99.8000112.2
134H46.5Very low52.1Low160 Ų160133.8 Ų133.874%0.74169%0.689SS**SBendtrans91.2-10.8154-65-61.9000122.6
135H46.9Very low54.1Low153 Ų153132.9 Ų132.971%0.70868%0.676SS**SBendtrans-83-25.7-176-82.7-71000117.3
136E49.5Very low55.8Low148 Ų148134.5 Ų134.569%0.69267%0.673SS**Hα-helixtrans-73.4-34.3-174-69.7-167.6126.700115.1M138 S139 S140E136-M138 PolarHBondContact O-N 3.48Å; E136-M138 VanDerWaalsContact O-N 3.16Å; E136-S139 PolarHBondContact O-N 2.93Å; E136-S139 VanDerWaalsContact O-N 3.08Å; E136-S140 PolarHBondContact O-N 2.84Å
137S53.9Low57.5Low72 Ų72130.3 Ų130.350%0.50365%0.648SS.*Hα-helixtrans-64.5-25.5-173.678.30000113.7K141S137-K141 WeakPolarHBondContact O-CB 3.45Å; S137-K141 VanDerWaalsContact O-CG 3.28Å; S137-K141 WeakPolarHBondContact O-CG 3.39Å; S137-K141 PolarHBondContact O-N 3.05Å
138M53.3Low59.2Low139 Ų139125 Ų12569%0.68562%0.624SS**Hα-helixtrans-79.9-34.7176.1-168161.572.800111.9E136 L142E136-M138 PolarHBondContact O-N 3.48Å; E136-M138 VanDerWaalsContact O-N 3.16Å; M138-L142 WeakPolarHBondContact O-CB 3.4Å; M138-L142 PolarHBondContact O-N 3.22Å
139S56.7Low61.3Low86 Ų86119.3 Ų119.360%0.60160%0.599SS**Hα-helixtrans-66.5-45.9175.6-169.40000111.4E136 L142 S143E136-S139 PolarHBondContact O-N 2.93Å; E136-S139 VanDerWaalsContact O-N 3.08Å; S139-L142 PolarHBondContact O-N 2.94Å; S139-S143 WeakPolarHBondContact O-CB 3.33Å; S139-S143 PolarHBondContact O-N 2.8Å
140S57.4Low63.2Low77 Ų77114.9 Ų114.954%0.53858%0.581SS.*Hα-helixtrans-59-51.4174.4170.50000111.8E136 L142 S143 S144E136-S140 PolarHBondContact O-N 2.84Å; S140-L142 VanDerWaalsContact C-N 3.33Å; S140-L142 PolarHBondContact O-N 3.34Å; S140-S143 WeakPolarHBondContact O-CA 3.04Å; S140-S143 WeakPolarHBondContact O-CB 3.39Å; S140-S143 PolarHBondContact O-N 3.45Å; S140-S143 VanDerWaalsContact O-N 3.08Å; S140-S144 PolarHBondContact O-N 3Å; S140-S144 PolarHBondContact O-OG 3.46Å
141K63.3Low65.1Low152 Ų152107.5 Ų107.566%0.66154%0.543SS*.Hα-helixtrans-60-39.6176.7-76177.5179-179.50113.1S137 S143 H145S137-K141 WeakPolarHBondContact O-CB 3.45Å; S137-K141 VanDerWaalsContact O-CG 3.28Å; S137-K141 WeakPolarHBondContact O-CG 3.39Å; S137-K141 PolarHBondContact O-N 3.05Å; K141-S143 VanDerWaalsContact C-N 3.33Å; K141-H145 VanDerWaalsContact O-CB 3.24Å; K141-H145 WeakPolarHBondContact O-CB 3.17Å; K141-H145 PolarHBondContact O-N 3.11Å
142L71.2Confident67.1Low99 Ų99102.7 Ų102.752%0.51852%0.523SS..Hα-helixtrans-66.9-35.7175.9-17662.1000111.5M138 S139 S140 R146M138-L142 WeakPolarHBondContact O-CB 3.4Å; M138-L142 PolarHBondContact O-N 3.22Å; S139-L142 PolarHBondContact O-N 2.94Å; S140-L142 VanDerWaalsContact C-N 3.33Å; S140-L142 PolarHBondContact O-N 3.34Å; L142-R146 HydrophobicContact CD1-CG 4.43Å; L142-R146 WeakPolarHBondContact O-CB 3.23Å; L142-R146 WeakPolarHBondContact O-CG 3.19Å; L142-R146 PolarHBondContact O-N 3.33Å
143S73.6Confident69.6Low70 Ų7098.6 Ų98.649%0.4951%0.506SS..Hα-helixtrans-63.7-53.1174-165.30000111.5S139 S140 K141 H145 R146 K147S139-S143 WeakPolarHBondContact O-CB 3.33Å; S139-S143 PolarHBondContact O-N 2.8Å; S140-S143 WeakPolarHBondContact O-CA 3.04Å; S140-S143 WeakPolarHBondContact O-CB 3.39Å; S140-S143 PolarHBondContact O-N 3.45Å; S140-S143 VanDerWaalsContact O-N 3.08Å; K141-S143 VanDerWaalsContact C-N 3.33Å; S143-H145 VanDerWaalsContact C-N 3.32Å; S143-H145 PolarHBondContact O-N 2.88Å; S143-R146 PolarHBondContact O-N 3.19Å; S143-R146 VanDerWaalsContact O-N 3.15Å; S143-K147 PolarHBondContact O-N 3.07Å
144S74.4Confident71.7Confident50 Ų5093.1 Ų93.135%0.3548%0.482SS..Hα-helixtrans-60.3-40.1176.8-54.70000112.2S140 K147 M148S140-S144 PolarHBondContact O-N 3Å; S140-S144 PolarHBondContact O-OG 3.46Å; S144-K147 PolarHBondContact O-N 3.03Å; S144-M148 PolarHBondContact O-N 3.47Å
145H80.8Confident73.9Confident100 Ų10086 Ų8646%0.46345%0.45SS..Hα-helixtrans-64.6-41.1175.5-174.953.6000112.4K141 S143 M148 I149K141-H145 VanDerWaalsContact O-CB 3.24Å; K141-H145 WeakPolarHBondContact O-CB 3.17Å; K141-H145 PolarHBondContact O-N 3.11Å; S143-H145 VanDerWaalsContact C-N 3.32Å; S143-H145 PolarHBondContact O-N 2.88Å; H145-M148 PolarHBondContact O-N 3.46Å; H145-I149 VanDerWaalsContact O-CG1 3.3Å; H145-I149 WeakPolarHBondContact O-CG1 3.37Å; H145-I149 PolarHBondContact O-N 3.14Å
146R83.2Confident76.1Confident176 Ų17683.6 Ų83.666%0.66444%0.442SS*.Hα-helixtrans-66.3-34.2173.9-74.217671.2-163.51.1112.5L142 S143 L150L142-R146 HydrophobicContact CD1-CG 4.43Å; L142-R146 WeakPolarHBondContact O-CB 3.23Å; L142-R146 WeakPolarHBondContact O-CG 3.19Å; L142-R146 PolarHBondContact O-N 3.33Å; S143-R146 PolarHBondContact O-N 3.19Å; S143-R146 VanDerWaalsContact O-N 3.15Å; R146-L150 WeakPolarHBondContact O-CB 3.41Å; R146-L150 PolarHBondContact O-N 3.09Å
147K81.3Confident78.1Confident65 Ų6580.2 Ų80.228%0.28343%0.429SS..Hα-helixtrans-63-52.6173.2179.3168.1175.61770110.8D112 A113 S143 S144 I149 L150 E151D112-K147 PolarHBondContact O-NZ 3.01Å; A113-K147 HydrophobicContact CB-CD 3.86Å; A113-K147 HydrophobicContact CB-CG 4.18Å; S143-K147 PolarHBondContact O-N 3.07Å; S144-K147 PolarHBondContact O-N 3.03Å; K147-I149 VanDerWaalsContact C-N 3.3Å; K147-I149 PolarHBondContact O-N 3.13Å; K147-L150 WeakPolarHBondContact O-CB 3.24Å; K147-L150 PolarHBondContact O-N 3.43Å; K147-E151 WeakPolarHBondContact CE-OE1 3.43Å; K147-E151 WeakPolarHBondContact CG-OE1 3.33Å; K147-E151 IonicContact NZ-OE1 3.91Å; K147-E151 PolarHBondContact O-N 3.01Å
148M82.5Confident79.9Confident78 Ų7876.8 Ų76.838%0.38441%0.405SS..Hα-helixtrans-58.5-37.7175.7-69.2-176.8-69.600113.3F110 S144 H145 E151 A152F110-M148 HydrophobicContact CD1-CB 4.37Å; F110-M148 HydrophobicContact CD1-CG 4Å; F110-M148 HydrophobicContact CE1-CB 4.08Å; F110-M148 HydrophobicContact CE1-CG 4.22Å; S144-M148 PolarHBondContact O-N 3.47Å; H145-M148 PolarHBondContact O-N 3.46Å; M148-E151 WeakPolarHBondContact CA-OE2 3.24Å; M148-A152 WeakPolarHBondContact O-CB 3.45Å; M148-A152 PolarHBondContact O-N 2.58Å
149I87.3Confident81.8Confident77 Ų7772.7 Ų72.740%0.39539%0.385SS..Hα-helixtrans-65.1-43.7173.7-71.2165.4000111.2H145 K147 A152 L153H145-I149 VanDerWaalsContact O-CG1 3.3Å; H145-I149 WeakPolarHBondContact O-CG1 3.37Å; H145-I149 PolarHBondContact O-N 3.14Å; K147-I149 VanDerWaalsContact C-N 3.3Å; K147-I149 PolarHBondContact O-N 3.13Å; I149-A152 PolarHBondContact O-N 2.92Å; I149-L153 HydrophobicContact CG2-CD1 4.03Å; I149-L153 HydrophobicContact CG2-CG 4.45Å; I149-L153 VanDerWaalsContact O-CG 3.29Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 2.98Å
150L86.9Confident83.5Confident85 Ų8575.1 Ų75.145%0.44538%0.382SS..Hα-helixtrans-61.5-46.4178.3-172.475.7000110.8R146 K147 A152 L153 I154 W468R146-L150 WeakPolarHBondContact O-CB 3.41Å; R146-L150 PolarHBondContact O-N 3.09Å; K147-L150 WeakPolarHBondContact O-CB 3.24Å; K147-L150 PolarHBondContact O-N 3.43Å; L150-A152 PolarHBondContact O-N 3.18Å; L150-L153 WeakPolarHBondContact O-CB 3.39Å; L150-L153 PolarHBondContact O-N 3.43Å; L150-L153 VanDerWaalsContact O-N 3.11Å; L150-I154 WeakPolarHBondContact O-CG1 3.35Å; L150-I154 PolarHBondContact O-N 3.42Å; L150-W468 HydrophobicContact CD2-CH2 4.38Å; L150-W468 HydrophobicContact CD2-CZ2 4.07Å
151E85.8Confident85Confident6 Ų674.6 Ų74.63%0.02837%0.372CS..Hα-helixtrans-57.7-48.1175.8-77.5154.7-17800111.4F110 K147 M148 L153 I154 A155 T467 M471F110-E151 HydrophobicContact CD1-CB 4.47Å; F110-E151 HydrophobicContact CE1-CB 3.95Å; K147-E151 WeakPolarHBondContact CE-OE1 3.43Å; K147-E151 WeakPolarHBondContact CG-OE1 3.33Å; K147-E151 IonicContact NZ-OE1 3.91Å; K147-E151 PolarHBondContact O-N 3.01Å; M148-E151 WeakPolarHBondContact CA-OE2 3.24Å; E151-L153 VanDerWaalsContact C-N 3.28Å; E151-L153 PolarHBondContact O-N 2.92Å; E151-I154 WeakPolarHBondContact O-CB 3.18Å; E151-I154 PolarHBondContact O-N 3.41Å; E151-A155 PolarHBondContact O-N 3.41Å; E151-A155 VanDerWaalsContact O-N 3.16Å; E151-T467 HydrophobicContact CG-CG2 4.05Å; E151-T467 WeakPolarHBondContact OE1-CG2 3.44Å; E151-M471 HydrophobicContact CB-CE 4.09Å; E151-M471 HydrophobicContact CB-CG 3.96Å; E151-M471 HydrophobicContact CG-CG 4.42Å; E151-M471 VanDerWaalsContact O-CE 3.22Å; E151-M471 WeakPolarHBondContact O-CE 3.48Å
152A88.6Confident86Confident39 Ų3967.4 Ų67.432%0.32234%0.341SS..Hα-helixtrans-61.7-33.2174.700000113.2M148 I149 L150 I154 A155 L156M148-A152 WeakPolarHBondContact O-CB 3.45Å; M148-A152 PolarHBondContact O-N 2.58Å; I149-A152 PolarHBondContact O-N 2.92Å; L150-A152 PolarHBondContact O-N 3.18Å; A152-I154 VanDerWaalsContact C-N 3.33Å; A152-A155 PolarHBondContact O-N 3.33Å; A152-L156 WeakPolarHBondContact O-CG 3.35Å; A152-L156 PolarHBondContact O-N 3.12Å
153L92.4Very high86.8Confident95 Ų9566.7 Ų66.750%0.49733%0.334SS..Hα-helixtrans-68-30.4172.7-71.8166.9000112.4I149 L150 E151 L156 L157I149-L153 HydrophobicContact CG2-CD1 4.03Å; I149-L153 HydrophobicContact CG2-CG 4.45Å; I149-L153 VanDerWaalsContact O-CG 3.29Å; I149-L153 WeakPolarHBondContact O-CG 3.45Å; I149-L153 PolarHBondContact O-N 2.98Å; L150-L153 WeakPolarHBondContact O-CB 3.39Å; L150-L153 PolarHBondContact O-N 3.43Å; L150-L153 VanDerWaalsContact O-N 3.11Å; E151-L153 VanDerWaalsContact C-N 3.28Å; E151-L153 PolarHBondContact O-N 2.92Å; L153-L156 HydrophobicContact CD2-CD1 4.3Å; L153-L156 PolarHBondContact O-N 3.48Å; L153-L157 WeakPolarHBondContact O-CB 3.32Å; L153-L157 PolarHBondContact O-N 3.02Å
154I91.4Very high87.6Confident29 Ų2967 Ų6715%0.14933%0.329CS..Hα-helixtrans-69.6-37.5172.7-59-55.1000111.2L150 E151 A152 L157 G158 W468 M471 L472L150-I154 WeakPolarHBondContact O-CG1 3.35Å; L150-I154 PolarHBondContact O-N 3.42Å; E151-I154 WeakPolarHBondContact O-CB 3.18Å; E151-I154 PolarHBondContact O-N 3.41Å; A152-I154 VanDerWaalsContact C-N 3.33Å; I154-L157 HydrophobicContact CD1-CD2 4.39Å; I154-L157 WeakPolarHBondContact O-CB 3.14Å; I154-L157 PolarHBondContact O-N 3.03Å; I154-G158 PolarHBondContact O-N 3.04Å; I154-W468 HydrophobicContact CD1-CE3 4.49Å; I154-W468 WeakPolarHBondContact CG2-O 3.28Å; I154-M471 HydrophobicContact CB-CB 4.1Å; I154-M471 HydrophobicContact CG2-CB 4.11Å; I154-L472 HydrophobicContact CG2-CB 3.93Å; I154-L472 HydrophobicContact CG2-CD1 4.24Å
155A91.1Very high88Confident9 Ų966.7 Ų66.77%0.07433%0.326CS..Hα-helixtrans-64.1-41.9171.400000112.6E151 A152 L157 G158 I159 M471 G475E151-A155 PolarHBondContact O-N 3.41Å; E151-A155 VanDerWaalsContact O-N 3.16Å; A152-A155 PolarHBondContact O-N 3.33Å; A155-L157 VanDerWaalsContact C-N 3.28Å; A155-L157 PolarHBondContact O-N 2.94Å; A155-G158 PolarHBondContact O-N 3.19Å; A155-I159 PolarHBondContact O-N 3.4Å; A155-I159 VanDerWaalsContact O-N 3.12Å; A155-M471 WeakPolarHBondContact CA-O 3.3Å; A155-M471 HydrophobicContact CB-CE 3.91Å; A155-M471 WeakPolarHBondContact CB-O 3.4Å; A155-G475 VanDerWaalsContact O-CA 3.24Å; A155-G475 WeakPolarHBondContact O-CA 3.32Å
156L93.6Very high88.1Confident104 Ų10462.9 Ų62.955%0.54531%0.308SS..Hα-helixtrans-63.2-33.7172.1-69.8171000112.5A152 L153 I159 Y160A152-L156 WeakPolarHBondContact O-CG 3.35Å; A152-L156 PolarHBondContact O-N 3.12Å; L153-L156 HydrophobicContact CD2-CD1 4.3Å; L153-L156 PolarHBondContact O-N 3.48Å; L156-I159 HydrophobicContact CD2-CD1 4.4Å; L156-Y160 WeakPolarHBondContact O-CB 3.33Å; L156-Y160 PolarHBondContact O-N 2.82Å
157L92.8Very high88.2Confident77 Ų7760 Ų6040%0.40330%0.297SS..Hα-helixtrans-66.3-39.2173179.262.7000111.6L153 I154 A155 Y160 I161L153-L157 WeakPolarHBondContact O-CB 3.32Å; L153-L157 PolarHBondContact O-N 3.02Å; I154-L157 HydrophobicContact CD1-CD2 4.39Å; I154-L157 WeakPolarHBondContact O-CB 3.14Å; I154-L157 PolarHBondContact O-N 3.03Å; A155-L157 VanDerWaalsContact C-N 3.28Å; A155-L157 PolarHBondContact O-N 2.94Å; L157-Y160 PolarHBondContact O-N 3.05Å; L157-I161 HydrophobicContact CD1-CD1 3.96Å; L157-I161 HydrophobicContact CD1-CG1 4.07Å; L157-I161 HydrophobicContact CD2-CD1 4.44Å; L157-I161 HydrophobicContact CG-CD1 3.79Å; L157-I161 HydrophobicContact CG-CG1 4.33Å; L157-I161 WeakPolarHBondContact O-CB 3.49Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 2.86Å
158G90Very high88.4Confident0 Ų061.1 Ų61.10%031%0.306CS..Hα-helixtrans-58.2-50.2173.400000112.3I154 A155 Y160 I161 F162I154-G158 PolarHBondContact O-N 3.04Å; A155-G158 PolarHBondContact O-N 3.19Å; G158-Y160 VanDerWaalsContact C-N 3.32Å; G158-Y160 PolarHBondContact O-N 3.32Å; G158-I161 PolarHBondContact O-N 3.29Å; G158-F162 PolarHBondContact O-N 2.95Å
159I92.8Very high88.3Confident53 Ų5359 Ų5927%0.27230%0.298SS..Hα-helixtrans-54.7-46.7173.5-66.4171.9000110.8A155 L156 F162 F163 G475 I478 Y479A155-I159 PolarHBondContact O-N 3.4Å; A155-I159 VanDerWaalsContact O-N 3.12Å; L156-I159 HydrophobicContact CD2-CD1 4.4Å; I159-F162 PolarHBondContact O-N 3.38Å; I159-F163 PolarHBondContact O-N 2.99Å; I159-G475 WeakPolarHBondContact CG1-O 3.27Å; I159-I478 HydrophobicContact CD1-CG2 4.09Å; I159-Y479 HydrophobicContact CG2-CD2 4.03Å; I159-Y479 WeakPolarHBondContact O-CD2 3.34Å
160Y92.8Very high87.9Confident137 Ų13757.2 Ų57.254%0.53729%0.288SS..Hα-helixtrans-70.9-36.3-177.7-179.6-104.8000113.4L156 L157 G158 F162 F163 L164L156-Y160 WeakPolarHBondContact O-CB 3.33Å; L156-Y160 PolarHBondContact O-N 2.82Å; L157-Y160 PolarHBondContact O-N 3.05Å; G158-Y160 VanDerWaalsContact C-N 3.32Å; G158-Y160 PolarHBondContact O-N 3.32Å; Y160-F162 VanDerWaalsContact C-N 3.34Å; Y160-F163 HydrophobicContact CD2-CD1 4.46Å; Y160-F163 HydrophobicContact CE2-CD1 4.4Å; Y160-F163 PolarHBondContact O-N 3.44Å; Y160-L164 WeakPolarHBondContact O-CB 2.84Å; Y160-L164 PolarHBondContact O-N 3.39Å
161I89.1Confident87.7Confident66 Ų6657 Ų5734%0.33829%0.287SS..Hα-helixtrans-63-43.3174.1-73.8169.6000109.7L157 G158 L164 T165 L472L157-I161 HydrophobicContact CD1-CD1 3.96Å; L157-I161 HydrophobicContact CD1-CG1 4.07Å; L157-I161 HydrophobicContact CD2-CD1 4.44Å; L157-I161 HydrophobicContact CG-CD1 3.79Å; L157-I161 HydrophobicContact CG-CG1 4.33Å; L157-I161 WeakPolarHBondContact O-CB 3.49Å; L157-I161 VanDerWaalsContact O-CG1 3.29Å; L157-I161 WeakPolarHBondContact O-CG1 3.44Å; L157-I161 PolarHBondContact O-N 2.86Å; G158-I161 PolarHBondContact O-N 3.29Å; I161-L164 CarbonylContact O-C 3.58Å; I161-L164 WeakPolarHBondContact O-CB 3.17Å; I161-L164 PolarHBondContact O-N 2.96Å; I161-L164 VanDerWaalsContact O-N 3.14Å; I161-T165 HydrophobicContact CG2-CG2 4.48Å; I161-T165 WeakPolarHBondContact O-CG2 3.33Å; I161-T165 PolarHBondContact O-N 2.79Å; I161-T165 PolarHBondContact O-OG1 3.4Å; I161-L472 HydrophobicContact CD1-CD1 4.29Å
162F85.1Confident87.5Confident0 Ų060.4 Ų60.40%031%0.31CS..Hα-helixtrans-67.7-40.5177.5-103.3-104.3000113.8G158 I159 Y160 L164 T165 E166 T379 G383 L386 M476 Y479 I480G158-F162 PolarHBondContact O-N 2.95Å; I159-F162 PolarHBondContact O-N 3.38Å; Y160-F162 VanDerWaalsContact C-N 3.34Å; F162-L164 VanDerWaalsContact C-N 3.25Å; F162-L164 PolarHBondContact O-N 3.38Å; F162-T165 WeakPolarHBondContact CA-OG1 3.31Å; F162-T165 PolarHBondContact O-N 2.76Å; F162-T165 PolarHBondContact O-OG1 3.31Å; F162-E166 WeakPolarHBondContact O-CB 3.37Å; F162-E166 PolarHBondContact O-N 3.18Å; F162-T379 HydrophobicContact CD1-CG2 4.37Å; F162-G383 VanDerWaalsContact CE1-CA 3.47Å; F162-G383 VanDerWaalsContact CZ-CA 3.47Å; F162-L386 HydrophobicContact CE2-CD1 3.65Å; F162-L386 HydrophobicContact CZ-CD1 3.91Å; F162-M476 HydrophobicContact CD2-CB 3.96Å; F162-M476 HydrophobicContact CD2-CG 3.53Å; F162-M476 HydrophobicContact CD2-SD 3.81Å; F162-M476 HydrophobicContact CE2-CB 4.08Å; F162-M476 HydrophobicContact CE2-CG 3.69Å; F162-M476 HydrophobicContact CE2-SD 3.37Å; F162-M476 WeakPolarHBondContact CE2-SD 3.4Å; F162-M476 HydrophobicContact CG-CB 4.46Å; F162-M476 HydrophobicContact CG-CG 4.41Å; F162-M476 HydrophobicContact CZ-SD 4.33Å; F162-Y479 HydrophobicContact CB-CD1 3.84Å; F162-Y479 HydrophobicContact CB-CD2 4.27Å; F162-Y479 HydrophobicContact CB-CE1 4.43Å; F162-Y479 HydrophobicContact CB-CG 3.75Å; F162-Y479 HydrophobicContact CD1-CD1 4.32Å; F162-I480 HydrophobicContact CD1-CG1 4.21Å; F162-I480 HydrophobicContact CE1-CD1 4.17Å; F162-I480 HydrophobicContact CE1-CG1 4.19Å
163F88.4Confident87.1Confident85 Ų8560.2 Ų60.237%0.37330%0.303SS..Hα-helixtrans-54.9-44167.6176.4-98.4000111.8I159 Y160 R167 Y479I159-F163 PolarHBondContact O-N 2.99Å; Y160-F163 HydrophobicContact CD2-CD1 4.46Å; Y160-F163 HydrophobicContact CE2-CD1 4.4Å; Y160-F163 PolarHBondContact O-N 3.44Å; F163-R167 HydrophobicContact CD1-CG 4.31Å; F163-R167 HydrophobicContact CD2-CG 4.44Å; F163-R167 HydrophobicContact CE1-CG 3.96Å; F163-R167 HydrophobicContact CE2-CG 4.11Å; F163-R167 VanDerWaalsContact CE2-NE 3.33Å; F163-R167 HydrophobicContact CZ-CG 3.86Å; F163-R167 WeakPolarHBondContact O-CB 3.29Å; F163-R167 WeakPolarHBondContact O-CG 3.4Å; F163-R167 PolarHBondContact O-N 2.67Å; F163-Y479 WeakPolarHBondContact CA-OH 3.45Å; F163-Y479 HydrophobicContact CB-CE2 3.69Å; F163-Y479 HydrophobicContact CD2-CE2 4.35Å; F163-Y479 WeakPolarHBondContact CD2-OH 3.29Å
164L89.2Confident86.4Confident75 Ų7558.5 Ų58.539%0.39329%0.294SS..Hα-helixtrans-68.4-40.5179.6-175.961.6000112.2Y160 I161 F162 R167 L168Y160-L164 WeakPolarHBondContact O-CB 2.84Å; Y160-L164 PolarHBondContact O-N 3.39Å; I161-L164 CarbonylContact O-C 3.58Å; I161-L164 WeakPolarHBondContact O-CB 3.17Å; I161-L164 PolarHBondContact O-N 2.96Å; I161-L164 VanDerWaalsContact O-N 3.14Å; F162-L164 VanDerWaalsContact C-N 3.25Å; F162-L164 PolarHBondContact O-N 3.38Å; L164-R167 PolarHBondContact O-N 3Å; L164-L168 HydrophobicContact CD1-CD1 4.19Å; L164-L168 HydrophobicContact CD1-CG 4.21Å; L164-L168 HydrophobicContact CG-CD1 3.93Å; L164-L168 HydrophobicContact CG-CG 4.38Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.99Å
165T83.2Confident86Confident45 Ų4563.3 Ų63.328%0.27631%0.314SS..Hα-helixtrans-64.4-46.1176.856.60000111.1I161 F162 R167 L168 T169I161-T165 HydrophobicContact CG2-CG2 4.48Å; I161-T165 WeakPolarHBondContact O-CG2 3.33Å; I161-T165 PolarHBondContact O-N 2.79Å; I161-T165 PolarHBondContact O-OG1 3.4Å; F162-T165 WeakPolarHBondContact CA-OG1 3.31Å; F162-T165 PolarHBondContact O-N 2.76Å; F162-T165 PolarHBondContact O-OG1 3.31Å; T165-R167 PolarHBondContact O-N 3.24Å; T165-L168 CarbonylContact O-C 3.58Å; T165-L168 PolarHBondContact O-N 3.36Å; T165-L168 VanDerWaalsContact O-N 3.16Å; T165-T169 WeakPolarHBondContact O-CG2 3.31Å; T165-T169 PolarHBondContact O-N 3.48Å; T165-T169 PolarHBondContact O-OG1 2.99Å
166E81.9Confident85.4Confident20 Ų2068 Ų689%0.09334%0.336CS..Hα-helixtrans-56.2-46.8174.2-169-137.5137.200111.5F162 L168 T169 I170 T379 Y479F162-E166 WeakPolarHBondContact O-CB 3.37Å; F162-E166 PolarHBondContact O-N 3.18Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 3.41Å; E166-T169 PolarHBondContact O-N 3.2Å; E166-T169 PolarHBondContact O-OG1 3.17Å; E166-I170 HydrophobicContact CG-CD1 4.18Å; E166-I170 VanDerWaalsContact O-CG1 3.27Å; E166-I170 WeakPolarHBondContact O-CG1 3.17Å; E166-I170 PolarHBondContact O-N 3.21Å; E166-I170 WeakPolarHBondContact OE1-CD1 3.26Å; E166-T379 HydrophobicContact CB-CG2 3.83Å; E166-T379 HydrophobicContact CG-CG2 4.07Å; E166-Y479 PolarHBondContact OE2-OH 3.49Å
167R86Confident84.5Confident115 Ų11566.4 Ų66.443%0.43433%0.333SS..Hα-helixtrans-64.5-38.9178.3-64.7-70.5159.7-175-12.2111.8F163 L164 T165 I171F163-R167 HydrophobicContact CD1-CG 4.31Å; F163-R167 HydrophobicContact CD2-CG 4.44Å; F163-R167 HydrophobicContact CE1-CG 3.96Å; F163-R167 HydrophobicContact CE2-CG 4.11Å; F163-R167 VanDerWaalsContact CE2-NE 3.33Å; F163-R167 HydrophobicContact CZ-CG 3.86Å; F163-R167 WeakPolarHBondContact O-CB 3.29Å; F163-R167 WeakPolarHBondContact O-CG 3.4Å; F163-R167 PolarHBondContact O-N 2.67Å; L164-R167 PolarHBondContact O-N 3Å; T165-R167 PolarHBondContact O-N 3.24Å; R167-I171 WeakPolarHBondContact O-CB 3.42Å; R167-I171 WeakPolarHBondContact O-CD1 3.1Å; R167-I171 WeakPolarHBondContact O-CG1 3.23Å; R167-I171 PolarHBondContact O-N 2.88Å
168L85.2Confident83.9Confident89 Ų8971.1 Ų71.147%0.46635%0.345SS..Hα-helixtrans-69.3-39.4176.1-71.3172.8000112.1L164 T165 E166 I171 C172L164-L168 HydrophobicContact CD1-CD1 4.19Å; L164-L168 HydrophobicContact CD1-CG 4.21Å; L164-L168 HydrophobicContact CG-CD1 3.93Å; L164-L168 HydrophobicContact CG-CG 4.38Å; L164-L168 WeakPolarHBondContact O-CB 3.34Å; L164-L168 WeakPolarHBondContact O-CG 3.43Å; L164-L168 PolarHBondContact O-N 2.99Å; T165-L168 CarbonylContact O-C 3.58Å; T165-L168 PolarHBondContact O-N 3.36Å; T165-L168 VanDerWaalsContact O-N 3.16Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-L168 PolarHBondContact O-N 3.41Å; L168-I171 PolarHBondContact O-N 3.32Å; L168-C172 VanDerWaalsContact O-CB 3.26Å; L168-C172 WeakPolarHBondContact O-CB 3.25Å; L168-C172 PolarHBondContact O-N 3.37Å; L168-C172 PolarHBondContact O-SG 3.49Å; L168-C172 VanDerWaalsContact O-SG 3.33Å
169T80.1Confident83.5Confident34 Ų3478.9 Ų78.921%0.20938%0.375CS..Hα-helixtrans-64-45.5175.261.40000110.4T165 E166 I171 C172 Q173 T379T165-T169 WeakPolarHBondContact O-CG2 3.31Å; T165-T169 PolarHBondContact O-N 3.48Å; T165-T169 PolarHBondContact O-OG1 2.99Å; E166-T169 PolarHBondContact O-N 3.2Å; E166-T169 PolarHBondContact O-OG1 3.17Å; T169-I171 PolarHBondContact O-N 3.2Å; T169-C172 PolarHBondContact O-N 2.9Å; T169-Q173 WeakPolarHBondContact O-CB 3.41Å; T169-Q173 WeakPolarHBondContact O-CG 3.39Å; T169-Q173 PolarHBondContact O-N 3.25Å; T169-T379 PolarHBondContact OG1-OG1 3.12Å
170I80.2Confident82.9Confident39 Ų3982.3 Ų82.320%0.239%0.388CS..Hα-helixtrans-55.8-47.8173.4-68.4167.1000111.3E166 Q173 N174 A375E166-I170 HydrophobicContact CG-CD1 4.18Å; E166-I170 VanDerWaalsContact O-CG1 3.27Å; E166-I170 WeakPolarHBondContact O-CG1 3.17Å; E166-I170 PolarHBondContact O-N 3.21Å; E166-I170 WeakPolarHBondContact OE1-CD1 3.26Å; I170-Q173 PolarHBondContact O-N 3.16Å; I170-N174 WeakPolarHBondContact CG2-ND2 3.38Å; I170-N174 VanDerWaalsContact O-CB 3.31Å; I170-N174 WeakPolarHBondContact O-CB 3.2Å; I170-N174 PolarHBondContact O-N 2.87Å; I170-N174 PolarHBondContact O-ND2 3.42Å; I170-N174 VanDerWaalsContact O-ND2 3.11Å; I170-A375 HydrophobicContact CB-CB 4.38Å; I170-A375 HydrophobicContact CD1-CB 4.39Å; I170-A375 HydrophobicContact CG1-CB 3.37Å
171I83Confident82.2Confident81 Ų8181.3 Ų81.342%0.41539%0.391SS..Hα-helixtrans-65.2-43.9-179.8-70.7164.5000111.1R167 L168 T169 N174 K175R167-I171 WeakPolarHBondContact O-CB 3.42Å; R167-I171 WeakPolarHBondContact O-CD1 3.1Å; R167-I171 WeakPolarHBondContact O-CG1 3.23Å; R167-I171 PolarHBondContact O-N 2.88Å; L168-I171 PolarHBondContact O-N 3.32Å; T169-I171 PolarHBondContact O-N 3.2Å; I171-N174 PolarHBondContact O-N 3.34Å; I171-K175 HydrophobicContact CG2-CD 4.22Å; I171-K175 WeakPolarHBondContact O-CB 3.43Å; I171-K175 WeakPolarHBondContact O-CG 3.28Å; I171-K175 PolarHBondContact O-N 3.17Å
172C81.8Confident81.9Confident77 Ų7783.6 Ų83.652%0.5240%0.4SS..Hα-helixtrans-64.4-42.6177.8-77.50000111.9L168 T169 K175 M176L168-C172 VanDerWaalsContact O-CB 3.26Å; L168-C172 WeakPolarHBondContact O-CB 3.25Å; L168-C172 PolarHBondContact O-N 3.37Å; L168-C172 PolarHBondContact O-SG 3.49Å; L168-C172 VanDerWaalsContact O-SG 3.33Å; T169-C172 PolarHBondContact O-N 2.9Å; C172-K175 PolarHBondContact O-N 3.01Å; C172-M176 WeakPolarHBondContact O-CB 3.28Å; C172-M176 PolarHBondContact O-N 3.34Å
173Q79.2Confident81.6Confident34 Ų3492.3 Ų92.316%0.15943%0.433CS..Hα-helixtrans-64.6-44.2174.1-74.1-168.417.800112T169 I170 K175 M176 S177 S371 R374T169-Q173 WeakPolarHBondContact O-CB 3.41Å; T169-Q173 WeakPolarHBondContact O-CG 3.39Å; T169-Q173 PolarHBondContact O-N 3.25Å; I170-Q173 PolarHBondContact O-N 3.16Å; Q173-K175 VanDerWaalsContact C-N 3.33Å; Q173-K175 PolarHBondContact O-N 3.28Å; Q173-M176 PolarHBondContact O-N 3.09Å; Q173-S177 WeakPolarHBondContact O-CB 3.4Å; Q173-S177 PolarHBondContact O-N 2.89Å; Q173-S371 PolarHBondContact OE1-O 3.43Å; Q173-R374 PolarHBondContact NE2-O 3.18Å
174N78.3Confident81.1Confident60 Ų6094.6 Ų94.632%0.32145%0.445SS..Hα-helixtrans-61.3-41176.2-80.4-39.4000111.9I170 I171 R178I170-N174 WeakPolarHBondContact CG2-ND2 3.38Å; I170-N174 VanDerWaalsContact O-CB 3.31Å; I170-N174 WeakPolarHBondContact O-CB 3.2Å; I170-N174 PolarHBondContact O-N 2.87Å; I170-N174 PolarHBondContact O-ND2 3.42Å; I170-N174 VanDerWaalsContact O-ND2 3.11Å; I171-N174 PolarHBondContact O-N 3.34Å; N174-R178 WeakPolarHBondContact O-CB 3.45Å; N174-R178 VanDerWaalsContact O-CG 3.29Å; N174-R178 WeakPolarHBondContact O-CG 3.4Å; N174-R178 PolarHBondContact O-N 2.85Å
175K81.6Confident80.6Confident129 Ų12999.8 Ų99.856%0.56146%0.459SS*.Hα-helixtrans-64.8-43.3172.6-74.8175.9179.4175.30112.2I171 C172 Q173 R179I171-K175 HydrophobicContact CG2-CD 4.22Å; I171-K175 WeakPolarHBondContact O-CB 3.43Å; I171-K175 WeakPolarHBondContact O-CG 3.28Å; I171-K175 PolarHBondContact O-N 3.17Å; C172-K175 PolarHBondContact O-N 3.01Å; Q173-K175 VanDerWaalsContact C-N 3.33Å; Q173-K175 PolarHBondContact O-N 3.28Å; K175-R179 WeakPolarHBondContact O-CG 3.42Å; K175-R179 PolarHBondContact O-N 2.9Å
176M79.8Confident80.2Confident109 Ų109101 Ų10154%0.53747%0.469SS..Hα-helixtrans-68.4-39.4179.2-168.2-170.8-64.300112.2C172 Q173 R179 K180C172-M176 WeakPolarHBondContact O-CB 3.28Å; C172-M176 PolarHBondContact O-N 3.34Å; Q173-M176 PolarHBondContact O-N 3.09Å; M176-R179 PolarHBondContact O-N 2.91Å; M176-K180 WeakPolarHBondContact O-CG 3.46Å; M176-K180 PolarHBondContact O-N 2.99Å
177S73.5Confident79.9Confident69 Ų69103.7 Ų103.748%0.48349%0.487SS..Hα-helixtrans-64.2-45.8176.9-169.50000110.8Q173 R179 K180 L181Q173-S177 WeakPolarHBondContact O-CB 3.4Å; Q173-S177 PolarHBondContact O-N 2.89Å; S177-R179 PolarHBondContact O-N 3.33Å; S177-K180 PolarHBondContact O-N 3.45Å; S177-L181 PolarHBondContact O-N 3.5Å
178R80.3Confident79.1Confident177 Ų177100.5 Ų100.567%0.66849%0.486SS*.Hα-helixtrans-57.1-49.2170.9-75.4175.2179.8-127.71.5112N174 K180 L181 E182N174-R178 WeakPolarHBondContact O-CB 3.45Å; N174-R178 VanDerWaalsContact O-CG 3.29Å; N174-R178 WeakPolarHBondContact O-CG 3.4Å; N174-R178 PolarHBondContact O-N 2.85Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.37Å; R178-L181 PolarHBondContact O-N 3.06Å; R178-L181 VanDerWaalsContact O-N 3.17Å; R178-E182 WeakPolarHBondContact O-CB 3.48Å; R178-E182 VanDerWaalsContact O-CG 3.3Å; R178-E182 WeakPolarHBondContact O-CG 3.1Å; R178-E182 PolarHBondContact O-N 3.35Å
179R82.1Confident78.3Confident162 Ų162100.4 Ų100.461%0.61149%0.485SS*.Hα-helixtrans-60-35.2176.2-74.7174.3175.5-174.7-1.9113.4K175 M176 S177 R183K175-R179 WeakPolarHBondContact O-CG 3.42Å; K175-R179 PolarHBondContact O-N 2.9Å; M176-R179 PolarHBondContact O-N 2.91Å; S177-R179 PolarHBondContact O-N 3.33Å; R179-R183 WeakPolarHBondContact O-CB 3.36Å; R179-R183 VanDerWaalsContact O-CG 3.24Å; R179-R183 WeakPolarHBondContact O-CG 3.43Å; R179-R183 PolarHBondContact O-N 3.07Å; R179-R183 VanDerWaalsContact O-N 3.08Å
180K79.9Confident77.6Confident126 Ų126103.5 Ų103.555%0.54850%0.5SS..Hα-helixtrans-69.4-43.9174.7-77.6178.7178178.10111.4M176 S177 R178 R183 Q184M176-K180 WeakPolarHBondContact O-CG 3.46Å; M176-K180 PolarHBondContact O-N 2.99Å; S177-K180 PolarHBondContact O-N 3.45Å; R178-K180 VanDerWaalsContact C-N 3.3Å; R178-K180 PolarHBondContact O-N 3.37Å; K180-R183 PolarHBondContact O-N 3.13Å; K180-Q184 WeakPolarHBondContact O-CG 3.47Å; K180-Q184 PolarHBondContact O-N 2.83Å
181L78.3Confident76.6Confident115 Ų115105.8 Ų105.860%0.60251%0.513SS*.Hα-helixtrans-65.3-40.7176.5-176.763.7000112.2S177 R178 Q184 R185S177-L181 PolarHBondContact O-N 3.5Å; R178-L181 PolarHBondContact O-N 3.06Å; R178-L181 VanDerWaalsContact O-N 3.17Å; L181-Q184 PolarHBondContact O-N 3.15Å; L181-R185 WeakPolarHBondContact O-CB 3.29Å; L181-R185 PolarHBondContact O-N 3.31Å
182E82.1Confident75.3Confident114 Ų114104.4 Ų104.453%0.53351%0.51SS..Hα-helixtrans-60.4-47173.4-74.7162.5-178.400111.1R178 R185 S186R178-E182 WeakPolarHBondContact O-CB 3.48Å; R178-E182 VanDerWaalsContact O-CG 3.3Å; R178-E182 WeakPolarHBondContact O-CG 3.1Å; R178-E182 PolarHBondContact O-N 3.35Å; E182-R185 PolarHBondContact O-N 3.14Å; E182-S186 PolarHBondContact O-N 3.14Å; E182-S186 PolarHBondContact O-OG 3.38Å
183R80Confident74.1Confident183 Ų183108.1 Ų108.169%0.69152%0.52SS*.Hα-helixtrans-59.8-48.2174.3-74.8171-177.8-168.9-0.9112R179 K180 R185 S186 T187R179-R183 WeakPolarHBondContact O-CB 3.36Å; R179-R183 VanDerWaalsContact O-CG 3.24Å; R179-R183 WeakPolarHBondContact O-CG 3.43Å; R179-R183 PolarHBondContact O-N 3.07Å; R179-R183 VanDerWaalsContact O-N 3.08Å; K180-R183 PolarHBondContact O-N 3.13Å; R183-R185 VanDerWaalsContact C-N 3.31Å; R183-R185 PolarHBondContact O-N 3.13Å; R183-S186 PolarHBondContact O-N 2.98Å; R183-T187 PolarHBondContact O-N 3.02Å; R183-T187 PolarHBondContact O-OG1 2.72Å; R183-T187 VanDerWaalsContact O-OG1 3.11Å
184Q77.2Confident72.8Confident133 Ų133114.4 Ų114.462%0.62155%0.552SS**Hα-helixtrans-60-40177.1-76.6177.1-30.500112.2K180 L181 T187 A188K180-Q184 WeakPolarHBondContact O-CG 3.47Å; K180-Q184 PolarHBondContact O-N 2.83Å; L181-Q184 PolarHBondContact O-N 3.15Å; Q184-T187 PolarHBondContact O-N 2.87Å; Q184-A188 VanDerWaalsContact O-CB 3.29Å; Q184-A188 WeakPolarHBondContact O-CB 3.48Å; Q184-A188 PolarHBondContact O-N 3.14Å
185R78.1Confident71.4Confident185 Ų185115.7 Ų115.770%0.69857%0.565SS**Hα-helixtrans-65.6-41.8175.8-172.1176.5-176.6173.11.8111.9L181 E182 R183 L189L181-R185 WeakPolarHBondContact O-CB 3.29Å; L181-R185 PolarHBondContact O-N 3.31Å; E182-R185 PolarHBondContact O-N 3.14Å; R183-R185 VanDerWaalsContact C-N 3.31Å; R183-R185 PolarHBondContact O-N 3.13Å; R185-L189 HydrophobicContact CG-CD1 4.19Å; R185-L189 WeakPolarHBondContact O-CB 3.12Å; R185-L189 VanDerWaalsContact O-CG 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.27Å; R185-L189 PolarHBondContact O-N 3.09Å
186S75.8Confident69.9Low69 Ų69117.1 Ų117.148%0.48358%0.578SS.*Hα-helixtrans-66.7-40.7175.9-63.10000112.5E182 R183 L189 N190E182-S186 PolarHBondContact O-N 3.14Å; E182-S186 PolarHBondContact O-OG 3.38Å; R183-S186 PolarHBondContact O-N 2.98Å; S186-L189 PolarHBondContact O-N 3.26Å; S186-N190 PolarHBondContact O-N 2.87Å
187T74.9Confident68.4Low77 Ų77115.7 Ų115.747%0.47258%0.578SS.*Hα-helixtrans-63.5-48.3173.9-55.40000111R183 Q184 L189 N190 D191R183-T187 PolarHBondContact O-N 3.02Å; R183-T187 PolarHBondContact O-OG1 2.72Å; R183-T187 VanDerWaalsContact O-OG1 3.11Å; Q184-T187 PolarHBondContact O-N 2.87Å; T187-L189 VanDerWaalsContact C-N 3.29Å; T187-L189 PolarHBondContact O-N 2.96Å; T187-N190 WeakPolarHBondContact O-CB 3.38Å; T187-N190 PolarHBondContact O-N 3.19Å; T187-N190 VanDerWaalsContact O-N 3.11Å; T187-D191 VanDerWaalsContact O-CG 3.29Å; T187-D191 PolarHBondContact O-N 2.84Å
188A69.6Low67.2Low49 Ų49117 Ų11741%0.40559%0.588SS.*Hα-helixtrans-62.7-32.8178.200000113.4Q184 S192Q184-A188 VanDerWaalsContact O-CB 3.29Å; Q184-A188 WeakPolarHBondContact O-CB 3.48Å; Q184-A188 PolarHBondContact O-N 3.14Å; A188-S192 WeakPolarHBondContact O-CB 3.2Å; A188-S192 PolarHBondContact O-N 2.63Å; A188-S192 PolarHBondContact O-OG 3.42Å
189L69Low65.6Low87 Ų87113.9 Ų113.946%0.45559%0.59SS.*Hα-helixtrans-67.3-45.2171.7-79.4165.6000111.7R185 S186 T187 S192 Q193R185-L189 HydrophobicContact CG-CD1 4.19Å; R185-L189 WeakPolarHBondContact O-CB 3.12Å; R185-L189 VanDerWaalsContact O-CG 3.3Å; R185-L189 WeakPolarHBondContact O-CG 3.27Å; R185-L189 PolarHBondContact O-N 3.09Å; S186-L189 PolarHBondContact O-N 3.26Å; T187-L189 VanDerWaalsContact C-N 3.29Å; T187-L189 PolarHBondContact O-N 2.96Å; L189-S192 PolarHBondContact O-N 3.46Å; L189-Q193 WeakPolarHBondContact O-CB 3.47Å; L189-Q193 PolarHBondContact O-N 2.99Å
190N64.8Low64Low98 Ų98113.3 Ų113.352%0.52459%0.594SS.*Hα-helixtrans-61.6-45.6175.4-75.20.4000111.6S186 T187 S192 Q193 M194S186-N190 PolarHBondContact O-N 2.87Å; T187-N190 WeakPolarHBondContact O-CB 3.38Å; T187-N190 PolarHBondContact O-N 3.19Å; T187-N190 VanDerWaalsContact O-N 3.11Å; N190-S192 PolarHBondContact O-N 3.33Å; N190-Q193 PolarHBondContact O-N 3.3Å; N190-M194 WeakPolarHBondContact O-CG 3.47Å; N190-M194 PolarHBondContact O-N 3.26Å
191D58.8Low62.6Low88 Ų88118 Ų11847%0.47161%0.609SS.*Hα-helixtrans-60.8-46177.2-65.4-24.3000110.7T187 Q193 M194 C195T187-D191 VanDerWaalsContact O-CG 3.29Å; T187-D191 PolarHBondContact O-N 2.84Å; D191-Q193 VanDerWaalsContact C-N 3.27Å; D191-Q193 PolarHBondContact O-N 3.4Å; D191-M194 PolarHBondContact O-N 2.94Å; D191-M194 VanDerWaalsContact O-N 3.16Å; D191-C195 WeakPolarHBondContact O-CB 3.41Å; D191-C195 PolarHBondContact O-N 3.47Å; D191-C195 PolarHBondContact O-SG 3.1Å
192S56.3Low61.1Low51 Ų51118.5 Ų118.536%0.35762%0.619SS.*Hα-helixtrans-59.6-38.4176.3-57.70000112.3A188 L189 N190 C195 N196 C197A188-S192 WeakPolarHBondContact O-CB 3.2Å; A188-S192 PolarHBondContact O-N 2.63Å; A188-S192 PolarHBondContact O-OG 3.42Å; L189-S192 PolarHBondContact O-N 3.46Å; N190-S192 PolarHBondContact O-N 3.33Å; S192-C195 PolarHBondContact O-N 2.67Å; S192-N196 PolarHBondContact O-N 3.42Å; S192-C197 PolarHBondContact O-N 2.8Å
193Q56.3Low59.5Low156 Ų156119.4 Ų119.473%0.72962%0.624SS**Hα-helixtrans-72.4-32.9177.8-167.6170.7300112.3L189 N190 D191L189-Q193 WeakPolarHBondContact O-CB 3.47Å; L189-Q193 PolarHBondContact O-N 2.99Å; N190-Q193 PolarHBondContact O-N 3.3Å; D191-Q193 VanDerWaalsContact C-N 3.27Å; D191-Q193 PolarHBondContact O-N 3.4Å
194M52.2Low58.4Low165 Ų165115.5 Ų115.581%0.81362%0.617SS**Hα-helixtrans-71.5-31.8170.6-68.6-178.194.700112.3N190 D191 N196N190-M194 WeakPolarHBondContact O-CG 3.47Å; N190-M194 PolarHBondContact O-N 3.26Å; D191-M194 PolarHBondContact O-N 2.94Å; D191-M194 VanDerWaalsContact O-N 3.16Å; M194-N196 VanDerWaalsContact C-N 3.28Å; M194-N196 PolarHBondContact O-N 3.18Å
195C49.1Very low57.3Low88 Ų88115.5 Ų115.560%0.59562%0.622SS**THydrogen-bonded Turntrans-81.83.7177.2-65.10000114.6D191 S192 C197D191-C195 WeakPolarHBondContact O-CB 3.41Å; D191-C195 PolarHBondContact O-N 3.47Å; D191-C195 PolarHBondContact O-SG 3.1Å; S192-C195 PolarHBondContact O-N 2.67Å; C195-C197 HydrophobicContact CB-CB 4.5Å; C195-C197 PolarHBondContact O-N 3.47Å; C195-C197 PolarHBondContact O-SG 2.83Å; C195-C197 VanDerWaalsContact O-SG 3.36Å
196N49.6Very low56.3Low158 Ų158109.4 Ų109.485%0.84561%0.607SS**THydrogen-bonded Turntrans51.727.9-176.1-153.728.8000113.9S192 M194S192-N196 PolarHBondContact O-N 3.42Å; M194-N196 VanDerWaalsContact C-N 3.28Å; M194-N196 PolarHBondContact O-N 3.18Å
197C49.2Very low55.3Low79 Ų79114 Ų11453%0.53461%0.614SS.*  trans-91.4129.4-178.7-74.30000110.3S192 C195S192-C197 PolarHBondContact O-N 2.8Å; C195-C197 HydrophobicContact CB-CB 4.5Å; C195-C197 PolarHBondContact O-N 3.47Å; C195-C197 PolarHBondContact O-SG 2.83Å; C195-C197 VanDerWaalsContact O-SG 3.36Å
198S46.8Very low54.1Low98 Ų98112.6 Ų112.669%0.68561%0.607SS**  trans-60.5134.2178.3-168.10000110.5E200S198-E200 PolarHBondContact O-N 3.06Å
199P47.9Very low53.6Low110 Ų110114.1 Ų114.171%0.71461%0.611SS**SBendtrans-77.329.6-166.432.7-38.3000114.8
200E49Very low53.3Low151 Ų151114.6 Ų114.671%0.70661%0.614SS**SBendtrans-102.3103.4-177.9-67-162.2140.400112.5S198S198-E200 PolarHBondContact O-N 3.06Å
201R49.3Very low53Low225 Ų225116.1 Ų116.185%0.84961%0.613SS**SBendtrans80.4138.1176.5-48.3179.8-153.9-178.56.9115.5
202P47Very low53Low125 Ų125116.7 Ų116.781%0.81262%0.616SS**  trans-57150163.4-18.231000110.7D204P202-D204 PolarHBondContact O-N 3.03Å; P202-D204 VanDerWaalsContact O-N 3.12Å
203M49.4Very low53.1Low132 Ų132118.2 Ų118.265%0.6562%0.62SS**  trans-62.5115.7168.1-73.3-162.5-63.900109.9
204D55.9Low53.2Low102 Ų102116.6 Ų116.655%0.54561%0.612SS.*  trans-62.3148.8158.6175.16.6000109.2P202 S206 R207 C208P202-D204 PolarHBondContact O-N 3.03Å; P202-D204 VanDerWaalsContact O-N 3.12Å; D204-S206 PolarHBondContact O-N 3.42Å; D204-S206 VanDerWaalsContact O-N 3.14Å; D204-S206 PolarHBondContact OD1-N 3.47Å; D204-S206 WeakPolarHBondContact OD2-CB 3.29Å; D204-S206 PolarHBondContact OD2-OG 3.03Å; D204-R207 PolarHBondContact O-N 3.41Å; D204-R207 VanDerWaalsContact O-N 3.1Å; D204-C208 PolarHBondContact O-N 3.41Å; D204-C208 VanDerWaalsContact O-N 3.12Å
205N53.7Low53.1Low133 Ų133115.1 Ų115.171%0.71160%0.601SS**Hα-helixtrans-51.4-33172.7-72.8-7.5000111.9C208 V209N205-C208 PolarHBondContact O-N 3.31Å; N205-V209 WeakPolarHBondContact O-CG2 3.31Å; N205-V209 PolarHBondContact O-N 2.96Å
206S56.9Low53.1Low57 Ų57118.3 Ų118.340%0.39961%0.607SS.*Hα-helixtrans-54.7-57.3173.262.20000112.1D204 C208 V209 D210D204-S206 PolarHBondContact O-N 3.42Å; D204-S206 VanDerWaalsContact O-N 3.14Å; D204-S206 PolarHBondContact OD1-N 3.47Å; D204-S206 WeakPolarHBondContact OD2-CB 3.29Å; D204-S206 PolarHBondContact OD2-OG 3.03Å; S206-C208 VanDerWaalsContact C-N 3.27Å; S206-C208 PolarHBondContact O-N 2.97Å; S206-V209 WeakPolarHBondContact O-CB 3.42Å; S206-V209 PolarHBondContact O-N 3.05Å; S206-V209 VanDerWaalsContact O-N 3.11Å; S206-D210 PolarHBondContact O-N 3.49Å
207R56Low53Low165 Ų165117.1 Ų117.162%0.62360%0.6SS**Hα-helixtrans-62.6-30.2177.2-103.3-175.7170.3-171.7-4.1113.6D204 Y211D204-R207 PolarHBondContact O-N 3.41Å; D204-R207 VanDerWaalsContact O-N 3.1Å; R207-Y211 WeakPolarHBondContact O-CB 3.3Å; R207-Y211 PolarHBondContact O-N 3.4Å
208C50.3Low52.8Low48 Ų48119.2 Ų119.232%0.32461%0.605SS.*Hα-helixtrans-68.2-40.9175-164.50000111.2D204 N205 S206 L212D204-C208 PolarHBondContact O-N 3.41Å; D204-C208 VanDerWaalsContact O-N 3.12Å; N205-C208 PolarHBondContact O-N 3.31Å; S206-C208 VanDerWaalsContact C-N 3.27Å; S206-C208 PolarHBondContact O-N 2.97Å; C208-L212 WeakPolarHBondContact O-CB 3.39Å; C208-L212 VanDerWaalsContact O-CG 3.25Å; C208-L212 WeakPolarHBondContact O-CG 3.34Å; C208-L212 PolarHBondContact O-N 2.88Å
209V59Low52.4Low80 Ų80117.1 Ų117.149%0.48560%0.6SS.*Hα-helixtrans-65.9-43.1173.4170.80000111.1N205 S206 L212 N213N205-V209 WeakPolarHBondContact O-CG2 3.31Å; N205-V209 PolarHBondContact O-N 2.96Å; S206-V209 WeakPolarHBondContact O-CB 3.42Å; S206-V209 PolarHBondContact O-N 3.05Å; S206-V209 VanDerWaalsContact O-N 3.11Å; V209-L212 PolarHBondContact O-N 3.11Å; V209-N213 WeakPolarHBondContact O-CB 3.15Å; V209-N213 PolarHBondContact O-N 2.88Å
210D62.2Low51.8Low97 Ų97117.3 Ų117.352%0.51960%0.604SS.*Hα-helixtrans-61.6-46.2176.5-65.9-28.8000111.7S206 L212 N213 E214S206-D210 PolarHBondContact O-N 3.49Å; D210-L212 VanDerWaalsContact C-N 3.34Å; D210-L212 PolarHBondContact O-N 3.34Å; D210-N213 PolarHBondContact O-N 2.94Å; D210-E214 WeakPolarHBondContact O-CB 3.37Å; D210-E214 PolarHBondContact O-N 3.41Å
211Y57.9Low51.3Low131 Ų131118 Ų11851%0.51461%0.612SS.*Hα-helixtrans-61.5-38.9176.7-180-95.8000112.7R207 K215R207-Y211 WeakPolarHBondContact O-CB 3.3Å; R207-Y211 PolarHBondContact O-N 3.4Å; Y211-K215 HydrophobicContact CE1-CD 4.33Å; Y211-K215 WeakPolarHBondContact O-CB 3.43Å; Y211-K215 PolarHBondContact O-N 3.48Å; Y211-K215 VanDerWaalsContact O-N 3.16Å
212L60.1Low50.5Low100 Ų100109.9 Ų109.952%0.52460%0.599SS.*Hα-helixtrans-70.2-37.5175.9-71.6170.4000112.1C208 V209 D210 Q216C208-L212 WeakPolarHBondContact O-CB 3.39Å; C208-L212 VanDerWaalsContact O-CG 3.25Å; C208-L212 WeakPolarHBondContact O-CG 3.34Å; C208-L212 PolarHBondContact O-N 2.88Å; V209-L212 PolarHBondContact O-N 3.11Å; D210-L212 VanDerWaalsContact C-N 3.34Å; D210-L212 PolarHBondContact O-N 3.34Å; L212-Q216 WeakPolarHBondContact O-CG 3.45Å; L212-Q216 PolarHBondContact O-N 3.42Å; L212-Q216 VanDerWaalsContact O-N 3.12Å
213N57.4Low49.8Very low83 Ų83110.6 Ų110.644%0.44460%0.601SS.*Hα-helixtrans-69.3-43.9174.9-80.5-20.3000112V209 D210 K215 Q216 I217V209-N213 WeakPolarHBondContact O-CB 3.15Å; V209-N213 PolarHBondContact O-N 2.88Å; D210-N213 PolarHBondContact O-N 2.94Å; N213-K215 PolarHBondContact O-N 3.41Å; N213-Q216 CarbonylContact O-C 3.59Å; N213-Q216 WeakPolarHBondContact O-CA 3.46Å; N213-Q216 WeakPolarHBondContact O-CB 3.22Å; N213-Q216 PolarHBondContact O-N 3.02Å; N213-I217 WeakPolarHBondContact O-CB 3.39Å; N213-I217 VanDerWaalsContact O-CG1 3.28Å; N213-I217 WeakPolarHBondContact O-CG1 3.33Å; N213-I217 PolarHBondContact O-N 3.41Å
214E57.4Low49Very low121 Ų121112.1 Ų112.157%0.56561%0.612SS**Hα-helixtrans-62.4-35178-168.1170.9-176.600111.2D210 Q216 I217 N218D210-E214 WeakPolarHBondContact O-CB 3.37Å; D210-E214 PolarHBondContact O-N 3.41Å; E214-Q216 VanDerWaalsContact C-N 3.35Å; E214-I217 PolarHBondContact O-N 3.1Å; E214-N218 WeakPolarHBondContact O-CB 3.29Å; E214-N218 PolarHBondContact O-N 3.1Å
215K50.2Low47.7Very low135 Ų135115.6 Ų115.659%0.58763%0.625SS**Hα-helixtrans-75.3-17.7173.1-156.3169.8-169.1169.30114.2Y211 N213Y211-K215 HydrophobicContact CE1-CD 4.33Å; Y211-K215 WeakPolarHBondContact O-CB 3.43Å; Y211-K215 PolarHBondContact O-N 3.48Å; Y211-K215 VanDerWaalsContact O-N 3.16Å; N213-K215 PolarHBondContact O-N 3.41Å
216Q49.3Very low46.9Very low154 Ų154114.2 Ų114.272%0.7262%0.623SS**Hα-helixtrans-83.7-39.6168-77-78.7-88.200111.7L212 N213 E214 G219L212-Q216 WeakPolarHBondContact O-CG 3.45Å; L212-Q216 PolarHBondContact O-N 3.42Å; L212-Q216 VanDerWaalsContact O-N 3.12Å; N213-Q216 CarbonylContact O-C 3.59Å; N213-Q216 WeakPolarHBondContact O-CA 3.46Å; N213-Q216 WeakPolarHBondContact O-CB 3.22Å; N213-Q216 PolarHBondContact O-N 3.02Å; E214-Q216 VanDerWaalsContact C-N 3.35Å; Q216-G219 PolarHBondContact O-N 3.33Å
217I49.2Very low45.6Very low133 Ų133118.8 Ų118.868%0.68264%0.638SS**Hα-helixtrans-73.6-39.7-176.6-67.5163.5000111.2N213 E214 G219N213-I217 WeakPolarHBondContact O-CB 3.39Å; N213-I217 VanDerWaalsContact O-CG1 3.28Å; N213-I217 WeakPolarHBondContact O-CG1 3.33Å; N213-I217 PolarHBondContact O-N 3.41Å; E214-I217 PolarHBondContact O-N 3.1Å; I217-G219 VanDerWaalsContact C-N 3.27Å; I217-G219 PolarHBondContact O-N 3.28Å
218N43.6Very low44.3Very low123 Ų123121.6 Ų121.666%0.65865%0.649SS**THydrogen-bonded Turntrans-88.813.4175.5-64.1-28.3000113.2E214E214-N218 WeakPolarHBondContact O-CB 3.29Å; E214-N218 PolarHBondContact O-N 3.1Å
219G38.3Very low43.3Very low55 Ų55123.5 Ų123.557%0.56766%0.663SS**  trans-97.913.2-171.900000116Q216 I217Q216-G219 PolarHBondContact O-N 3.33Å; I217-G219 VanDerWaalsContact C-N 3.27Å; I217-G219 PolarHBondContact O-N 3.28Å
220S35.8Very low41.8Very low114 Ų114127.6 Ų127.680%0.79767%0.674SS**  trans-116.736.2-172.3-169.30000114.2
221D37.7Very low40.3Very low164 Ų164129 Ų12988%0.87768%0.682SS**SBendtrans-126.3142.6159.1-123.8-28.9000110.8
222G32.9Very low39Very low56 Ų56128.3 Ų128.358%0.57769%0.687SS**  trans-73.9168-167.100000114.4
223T32Very low37.7Very low140 Ų140130.5 Ų130.586%0.85970%0.699SS**  trans6371.4164.962.60000116.8
224N34Very low36.4Very low164 Ų164131 Ų13188%0.87772%0.715SS**  trans-159.7112.3136.5-96.9-41.7000110.4
225Q29Very low35.2Very low174 Ų174132.6 Ų132.681%0.81373%0.726SS**  trans-66.4142.2168.4-71.8-177.6-8.100109.1H227Q225-H227 VanDerWaalsContact C-N 3.34Å; Q225-H227 PolarHBondContact O-N 3.44Å
226P35.6Very low34.4Very low105 Ų105131.1 Ų131.168%0.68273%0.731SS**  trans-65.7101.6160.528.6-30.9000107.2W228P226-W228 PolarHBondContact O-N 3.03Å
227H29.5Very low33.6Very low153 Ų153129.6 Ų129.671%0.70873%0.734SS**  trans-63.3107176.2-172.3-96.7000108.3Q225 S229Q225-H227 VanDerWaalsContact C-N 3.34Å; Q225-H227 PolarHBondContact O-N 3.44Å; H227-S229 PolarHBondContact CE1-OG 3.43Å; H227-S229 VanDerWaalsContact CE1-OG 3.27Å; H227-S229 PolarHBondContact ND1-N 2.94Å; H227-S229 PolarHBondContact ND1-OG 2.89Å; H227-S229 PolarHBondContact O-N 2.96Å
228W29.9Very low32.9Very low223 Ų223131.4 Ų131.485%0.84575%0.745SS**  trans-69.975.4168.9-69.391.6000108.6P226 F230P226-W228 PolarHBondContact O-N 3.03Å; W228-F230 PolarHBondContact O-N 2.81Å
229S28.5Very low32.6Very low88 Ų88132.4 Ų132.462%0.61575%0.75SS**  trans-63.990.1161.9-76.10000107.8H227 N231H227-S229 PolarHBondContact CE1-OG 3.43Å; H227-S229 VanDerWaalsContact CE1-OG 3.27Å; H227-S229 PolarHBondContact ND1-N 2.94Å; H227-S229 PolarHBondContact ND1-OG 2.89Å; H227-S229 PolarHBondContact O-N 2.96Å; S229-N231 PolarHBondContact O-N 3.43Å
230F28.4Very low32.4Very low167 Ų167135.8 Ų135.873%0.73276%0.76SS**  trans-49.8113.6152.6-94.7-95.8000107W228 N232W228-F230 PolarHBondContact O-N 2.81Å; F230-N232 PolarHBondContact O-N 2.75Å
231N30.9Very low32.5Very low126 Ų126135.8 Ų135.867%0.67475%0.754SS**  trans-7476.8175.8-171.911.5000108.8S229 N233S229-N231 PolarHBondContact O-N 3.43Å; N231-N233 PolarHBondContact O-N 3.28Å; N231-N233 VanDerWaalsContact OD1-CB 3.24Å; N231-N233 WeakPolarHBondContact OD1-CB 3.44Å; N231-N233 VanDerWaalsContact OD1-CG 3.23Å; N231-N233 PolarHBondContact OD1-N 3.2Å; N231-N233 PolarHBondContact OD1-ND2 2.85Å
232N29.7Very low32.3Very low116 Ų116136.2 Ų136.262%0.6275%0.751SS**  trans-75.124.3175.6-75.9-12000112.4F230 A234F230-N232 PolarHBondContact O-N 2.75Å; N232-A234 PolarHBondContact O-N 3.19Å
233N32Very low32.4Very low146 Ų146137.7 Ų137.778%0.78176%0.758SS**  trans-77.758171-64.2-12.1000110.6N231N231-N233 PolarHBondContact O-N 3.28Å; N231-N233 VanDerWaalsContact OD1-CB 3.24Å; N231-N233 WeakPolarHBondContact OD1-CB 3.44Å; N231-N233 VanDerWaalsContact OD1-CG 3.23Å; N231-N233 PolarHBondContact OD1-N 3.2Å; N231-N233 PolarHBondContact OD1-ND2 2.85Å
234A31.1Very low32.5Very low94 Ų94137.5 Ų137.578%0.77776%0.756SS**  trans-134.952.2166.600000108.4N232N232-A234 PolarHBondContact O-N 3.19Å
235L32Very low32.6Very low154 Ų154132.7 Ų132.781%0.80675%0.746SS**PPolyproline II helixtrans-93.7140.6164.6-94.5121000109.7
236P32.2Very low32.8Very low105 Ų105131.3 Ų131.368%0.68274%0.744SS**PPolyproline II helixtrans-75.9164.8-17433.6-35.9000111.4L238P236-L238 PolarHBondContact O-N 2.89Å
237P32.5Very low32.9Very low122 Ų122133.2 Ų133.279%0.79275%0.748SS**PPolyproline II helixtrans-67129.5176.329-34.5000110.4
238L36.1Very low33.1Very low171 Ų171133.6 Ų133.690%0.89575%0.75SS**  trans-144136158.2-146.278.7000109.3P236P236-L238 PolarHBondContact O-N 2.89Å
239D36.5Very low33.3Very low143 Ų143132.6 Ų132.677%0.76576%0.755SS**  trans-83.3166.2-165.1-68.6-65.7000114.9
240T34.6Very low33.5Very low127 Ų127136.7 Ų136.778%0.77976%0.764SS**  trans74.8114149.340.20000121.1
241V36.8Very low34.3Very low113 Ų113132.4 Ų132.469%0.68575%0.753SS**  106.2102.5117.8166.70000120.2
242Q34.4Very low34.6Very low174 Ų174136.1 Ų136.181%0.81376%0.764SS**  trans74.5121.1132.5-72.6-176.6-53.800123.7
243A34Very low34.9Very low87 Ų87134.2 Ų134.272%0.71977%0.771SS**  75.3151.1119.900000119.9
244V34.7Very low35Very low136 Ų136131.3 Ų131.382%0.82478%0.776SS**  cis-161.2147.8-12.7125.70000108.6
245G36.3Very low35.1Very low63 Ų63130.1 Ų130.165%0.64977%0.773SS**  trans74.6165.6152.400000118.8
246N34Very low35.3Very low145 Ų145129.3 Ų129.378%0.77577%0.774SS**  cis-165.3172-4.5-109.45.1000110.9
247N36.9Very low35.4Very low144 Ų144130 Ų13077%0.7778%0.776SS**  trans102.9110.7158.6-60.8-14.2000119.1
248E33Very low35.6Very low162 Ų162132 Ų13276%0.75777%0.774SS**  trans-69.8166.3168.6-48.1108.291.100114
249Q34.9Very low35.4Very low201 Ų201130.4 Ų130.494%0.93977%0.767SS**  -161145.2111.2-106.8163.1-2.300114.5
250E33.7Very low35.1Very low175 Ų175126.7 Ų126.782%0.81876%0.763SS**  trans-110.7-166.6-169-94.8-120.8136.700110.5
251P45Very low35Very low77 Ų77129.5 Ų129.550%0.577%0.767SS.*  -141.1-166.4-57.742.5-24.9000112.8
252F36.3Very low34.5Very low204 Ų204135 Ų13590%0.89578%0.776SS**  trans146.9137.3131.4-92.8-71.2000113.8
253G35.5Very low34.6Very low75 Ų75133.4 Ų133.477%0.77378%0.779SS**  trans177.1-12.1171.500000123.3
254G34.6Very low34.5Very low86 Ų86138.9 Ų138.989%0.88779%0.786SS**  trans66.7146.2170.100000118.8
255G34.1Very low34.4Very low69 Ų69137.9 Ų137.971%0.71178%0.783SS**  cis175.1170.5-7.900000114.3
256V35.6Very low34.1Very low136 Ų136139.3 Ų139.382%0.82478%0.783SS**  trans71.891.2154.7-172.70000117
257V33.5Very low34Very low120 Ų120139.7 Ų139.773%0.72779%0.785SS**  92.1141.484160.90000112.3
258H36.3Very low33.8Very low163 Ų163140 Ų14076%0.75579%0.785SS**  cis-142.216820.2-127.5-51.7000113
259D32.9Very low33.6Very low139 Ų139142.4 Ų142.474%0.74379%0.788SS**  trans-34.9164171.7-58.9-65000120.2
260G30.6Very low33.3Very low65 Ų65142.4 Ų142.467%0.6779%0.785SS**  cis157.8-176.3-3.300000114.2
261H32.5Very low33.2Very low186 Ų186139.7 Ų139.786%0.86179%0.785SS**  trans71.9111.4171.1-83.175.4000121.5
262Y26.6Very low32.5Very low228 Ų228140.6 Ų140.689%0.89479%0.793SS**  trans-80.1138.4155.5-90-102.3000111.4
263T35.7Very low32.4Very low141 Ų141137.9 Ų137.987%0.86579%0.793SS**  trans-152.8137.7142.639.60000111.3
264K31.6Very low32.3Very low201 Ų201140.7 Ų140.787%0.87479%0.786SS**  trans-81.2154.1159.5-82.2179.6178176.50107.7
265P33.5Very low32.3Very low115 Ų115144.3 Ų144.375%0.74779%0.785SS**  -158.5174.664.743.6-21.9000119.5
266S30.2Very low32.3Very low93 Ų93146.2 Ų146.265%0.6578%0.779SS**  trans26.1127148.560.60000123.3
267D31.2Very low32.4Very low154 Ų154147.7 Ų147.782%0.82478%0.782SS**  trans77.4149137.1-67.5-41.2000122.8
268L32.1Very low32.5Very low149 Ų149150.6 Ų150.678%0.7879%0.785SS**  trans83.1107.3164.3-69.7156.5000120.6
269R29.2Very low32.4Very low213 Ų213149.3 Ų149.380%0.80478%0.783SS**  84.7105.4122.4-171-177.8-78.2-169.6-3.6119.6
270K28.8Very low32.5Very low201 Ų201148.7 Ų148.787%0.87478%0.779SS**  trans30.6117.4137.2-61.9-178.9176.9-176.60118.9
271S31Very low32.8Very low118 Ų118151.7 Ų151.783%0.82578%0.78SS**  -167.5122.5114.7-148.50000114.4
272S30.8Very low33Very low97 Ų97148.6 Ų148.668%0.67877%0.769SS**  trans30.8120.4130.1-177.80000121.9
273V34.3Very low33.4Very low147 Ų147143.9 Ų143.989%0.89176%0.76SS**  -138.4132.7130179.90000110.9
274H33.2Very low33.4Very low134 Ų134144.3 Ų144.362%0.6276%0.757SS**  trans-41.5149.3169.7-108.424.6000117.3N276H274-N276 PolarHBondContact CD2-ND2 3.32Å; H274-N276 PolarHBondContact NE2-ND2 3.49Å
275N35.3Very low33.5Very low161 Ų161143 Ų14386%0.86175%0.751SS**  -151.4149.9108.9-140.6-15.2000112.9
276N34Very low33.1Very low110 Ų110145.7 Ų145.759%0.58876%0.758SS**  trans-98.8146.3-168.2-72.5-61.8000113.3H274H274-N276 PolarHBondContact CD2-ND2 3.32Å; H274-N276 PolarHBondContact NE2-ND2 3.49Å
277N37.1Very low33Very low167 Ų167146.6 Ų146.689%0.89376%0.76SS**  -150.8154129.7-133.2-19.2000113.4
278K35.3Very low33Very low180 Ų180144.8 Ų144.878%0.78376%0.76SS**  trans-95.9160.4-158.4-58.9169.4174.6172.30115.3
279N33.9Very low32.8Very low136 Ų136144 Ų14473%0.72776%0.761SS**  trans116.8137.9143.1-78.46.2000114.7
280I36.6Very low32.7Very low127 Ų127140.6 Ų140.665%0.65176%0.757SS**  cis-175.9144.1-18.2-124.4174000105
281N36.7Very low32.8Very low127 Ų127137.8 Ų137.868%0.67975%0.752SS**  trans80.1111.6157.8-69.111.6000123.3
282N36Very low32.9Very low121 Ų121138.9 Ų138.965%0.64775%0.748SS**  98.589.1122.7-63.614.3000119.9
283D34Very low32.8Very low129 Ų129138.5 Ų138.569%0.6976%0.759SS**  44.3111.3108.3-47.6-19.2000118.5
284N37Very low32.6Very low150 Ų150141.4 Ų141.480%0.80275%0.754SS**  -179.8133.288.1-97.4-66.4000115.4
285K32.6Very low32.5Very low173 Ų173139.1 Ų139.175%0.75275%0.753SS**  trans69.490.2135-150.4170.8-171.9178.10120.6T287K285-T287 PolarHBondContact O-N 3.35Å
286L25.8Very low32.6Very low173 Ų173137.5 Ų137.591%0.90675%0.749SS**  trans-47.7121145.5178.881.7000112
287T29.2Very low32.9Very low111 Ų111137 Ų13768%0.68175%0.75SS**  trans-168.8164.4151.312.80000113K285K285-T287 PolarHBondContact O-N 3.35Å
288S30.1Very low32.7Very low117 Ų117133.1 Ų133.182%0.81873%0.729SS**  trans62.297171.461.30000119.2
289V27.9Very low32.8Very low133 Ų133132.2 Ų132.281%0.80673%0.729SS**  trans-57.6162.6145.4-167.40000109.9
290I28Very low32.9Very low141 Ų141132.3 Ų132.372%0.72373%0.729SS**  trans76.998.5170.9-43.8166.1000114.6
291N29.9Very low32.9Very low142 Ų142132.8 Ų132.876%0.75973%0.733SS**  -176.4156.9114.6-99.8-41.9000114.6
292N32.9Very low33Very low140 Ų140132.2 Ų132.275%0.74973%0.734SS**  trans66.493.1160-60.2-8.1000118.1R294N292-R294 PolarHBondContact O-N 3Å
293G28.2Very low33Very low89 Ų89134.2 Ų134.292%0.91874%0.737SS**  trans-57.5132.3147.500000109.8
294R31.2Very low33.2Very low209 Ų209134.9 Ų134.979%0.78974%0.736SS**  trans-119.7134.8175.5-168.4165.7177.8135.54.7108.8N292 D298N292-R294 PolarHBondContact O-N 3Å; R294-D298 IonicContact CZ-OD2 2.92Å; R294-D298 VanDerWaalsContact CZ-OD2 3.27Å; R294-D298 IonicContact NE-OD2 3.09Å; R294-D298 PolarHBondContact NE-OD2 2.82Å; R294-D298 IonicContact NH2-OD2 3.33Å; R294-D298 PolarHBondContact NH2-OD2 3.17Å
295S30.3Very low33Very low86 Ų86133.7 Ų133.760%0.60173%0.729SS**  trans-64.7152.2-165.6-162.80000113V297S295-V297 PolarHBondContact O-N 2.92Å
296V37.9Very low33.1Very low127 Ų127130.2 Ų130.277%0.7773%0.726SS**G310 helixtrans-66.7-7.1-173.1-168.90000113
297V40Very low33.6Very low99 Ų99130.7 Ų130.760%0.672%0.721SS**G310 helixtrans-69.5-35.8-176.3-155.30000112.8S295 M299 L300S295-V297 PolarHBondContact O-N 2.92Å; V297-M299 PolarHBondContact O-N 3.08Å; V297-M299 VanDerWaalsContact O-N 3.11Å; V297-L300 PolarHBondContact O-N 3.37Å
298D34.3Very low33.9Very low86 Ų86132 Ų13246%0.4672%0.72SS.*G310 helixtrans-69.3-9.7-176.5-74.1-6.8000113.7R294R294-D298 IonicContact CZ-OD2 2.92Å; R294-D298 VanDerWaalsContact CZ-OD2 3.27Å; R294-D298 IonicContact NE-OD2 3.09Å; R294-D298 PolarHBondContact NE-OD2 2.82Å; R294-D298 IonicContact NH2-OD2 3.33Å; R294-D298 PolarHBondContact NH2-OD2 3.17Å
299M36.2Very low34Very low160 Ų160133.5 Ų133.579%0.78872%0.719SS**G310 helixtrans-85.5-17.2-179.8-164.586.3102.900113.1V297V297-M299 PolarHBondContact O-N 3.08Å; V297-M299 VanDerWaalsContact O-N 3.11Å
300L36.7Very low34.4Very low138 Ų138133.5 Ų133.572%0.72372%0.719SS**THydrogen-bonded Turntrans-81.8-34.5-177.7-71.4170.2000112.7V297 V302 K303V297-L300 PolarHBondContact O-N 3.37Å; L300-V302 PolarHBondContact O-N 3.19Å; L300-K303 PolarHBondContact O-N 2.92Å
301D35.3Very low34.7Very low138 Ų138131.3 Ų131.374%0.73872%0.722SS**G310 helixtrans-71.4-27.3-175.1-109.3-26.8000114.2K303D301-K303 PolarHBondContact O-N 3.22Å
302V38.9Very low34.7Very low114 Ų114132.4 Ų132.469%0.69173%0.727SS**G310 helixtrans-70.9-19.5-180-176.50000112L300 H304L300-V302 PolarHBondContact O-N 3.19Å; V302-H304 VanDerWaalsContact C-N 3.33Å; V302-H304 PolarHBondContact O-N 3.01Å
303K36.5Very low34.8Very low164 Ų164134.4 Ų134.471%0.71373%0.732SS**G310 helixtrans-78.5-13.3-173.7-149.5175.7-176.6-175.10113.9L300 D301L300-K303 PolarHBondContact O-N 2.92Å; D301-K303 PolarHBondContact O-N 3.22Å
304H38.5Very low35Very low143 Ų143138 Ų13866%0.66273%0.73SS**SBendtrans-88.6-28.8-176-155.3-77.9000114.1V302V302-H304 VanDerWaalsContact C-N 3.33Å; V302-H304 PolarHBondContact O-N 3.01Å
305N33.5Very low35Very low124 Ų124132.6 Ų132.666%0.66373%0.729SS**G310 helixtrans-88.2-15-171.7-107.6-30.7000115.6
306S34.5Very low35.3Very low100 Ų100135.6 Ų135.670%0.69974%0.739SS**G310 helixtrans-84.1-7.3-176.1-164.40000114.4
307K36.4Very low35.3Very low183 Ų183138.4 Ų138.480%0.79674%0.743SS**G310 helixtrans-96-3.2-173.9-76.9-174.3176.3-179.80115.8
308Q35.7Very low35.1Very low140 Ų140137.6 Ų137.665%0.65475%0.746SS**SBendtrans-99-17.3-176.8-75.1178.9-23.200114.8T310Q308-T310 PolarHBondContact O-N 2.99Å
309N31.4Very low35.1Very low148 Ų148140.5 Ų140.579%0.79176%0.762SS**THydrogen-bonded Turntrans-98.932.8-169.9-68.2-9.8000114.8
310T35.7Very low35Very low132 Ų132139.6 Ų139.681%0.8176%0.76SS**THydrogen-bonded Turntrans-147.222.5-177.5-25.50000115Q308Q308-T310 PolarHBondContact O-N 2.99Å
311A33.8Very low34.9Very low96 Ų96139.6 Ų139.679%0.79377%0.766SS**SBendtrans-131.922.4-177.300000114
312L31Very low34.8Very low165 Ų165138.6 Ų138.686%0.86477%0.767SS**  trans-136.661.6-171.5-161.584.4000112.9
313E34.4Very low34.5Very low181 Ų181139.4 Ų139.485%0.84677%0.772SS**  trans-160.7149.1160.2-120.8171.1-170.500112.7
314L32Very low34.2Very low166 Ų166139.3 Ų139.387%0.86977%0.774SS**  trans65.379.3177.2-72.380.3000118
315A32.9Very low33.8Very low94 Ų94139.9 Ų139.978%0.77778%0.781SS**  trans-132.4104141.900000109.1
316N35.9Very low33.8Very low150 Ų150137.3 Ų137.380%0.80278%0.784SS**  trans-160121.2163.3-108.3-20.2000114.2
317H37.9Very low33.7Very low186 Ų186142.2 Ų142.286%0.86179%0.793SS**  trans65.3132.1155.1-79.5-81.2000123.5
318A35.2Very low33.6Very low81 Ų81138 Ų13867%0.66979%0.786SS**  trans-95.9168.3-178.100000113.5
319N34.3Very low33.4Very low148 Ų148138.8 Ų138.879%0.79179%0.794SS**  -177.4148.9123.4-93.5-16.6000115.1
320N35.2Very low33.5Very low141 Ų141135.4 Ų135.475%0.75479%0.787SS**  trans86.995.1152.5-57.6-15.2000123.2
321T32.9Very low33.2Very low137 Ų137136.7 Ų136.784%0.8479%0.788SS**  trans5161.8140.741.80000126.7
322P34.5Very low32.9Very low118 Ų118139.3 Ų139.377%0.76679%0.788SS**  trans-134.3173.2-149.644.6-27.7000119.4
323T31.3Very low33Very low130 Ų130141.3 Ų141.380%0.79879%0.789SS**  trans-171155.5165.4260000111.2
324Q31.7Very low32.7Very low162 Ų162141.9 Ų141.976%0.75779%0.789SS**  cis-171.8154.1-29-117-152.6107.900112.4
325I30.1Very low32.7Very low156 Ų156141.9 Ų141.980%0.879%0.79SS**  trans67.8128.8156.7-59.4161.5000121.4
326G32.6Very low32.6Very low70 Ų70143.3 Ų143.372%0.72279%0.794SS**  trans164.1134.5155.400000114.4
327K32.9Very low32.5Very low203 Ų203140.9 Ų140.988%0.88379%0.789SS**  trans-128.7148.2-172.1-66.4174.6175.4173.70114
328S34.5Very low32.3Very low93 Ų93139.6 Ų139.665%0.6578%0.781SS**  154.3128.1114.1-690000116.6
329N31.1Very low32.2Very low157 Ų157142.1 Ų142.184%0.8478%0.783SS**  trans57.7149.8134.9-47.1-17.8000120.6
330A32.5Very low32.2Very low78 Ų78143 Ų14365%0.64578%0.777SS**  cis-167.6166.2400000113.6
331I31.2Very low32Very low159 Ų159144.6 Ų144.682%0.81578%0.783SS**  trans64.9105.6147.9-60.4163.2000117.9
332L26.8Very low32Very low151 Ų151141.7 Ų141.779%0.79178%0.781SS**  96.710962-175.687.1000115.4
333K32.4Very low31.8Very low207 Ų207140 Ų14090%0.979%0.785SS**  trans-161.8138.6132.5-118.6173.8-177.6176.40112.3
334K29.1Very low31.7Very low192 Ų192138 Ų13884%0.83579%0.79SS**  trans-81143.6-177.6-76176.3171.5176.40112.1
335N32Very low31.7Very low167 Ų167134 Ų13489%0.89379%0.793SS**  trans-149.8161.1138.2-107.1-12.3000110.3S337N335-S337 PolarHBondContact O-N 3.02Å
336S30Very low31.8Very low123 Ų123130.8 Ų130.886%0.8680%0.798SS**  trans-74.7115.2-159.152.90000115.7
337S34.6Very low31.8Very low100 Ų100131.5 Ų131.570%0.69981%0.805SS**  trans-142.4145.2144.9-170.20000108.8N335 D339N335-S337 PolarHBondContact O-N 3.02Å; S337-D339 PolarHBondContact O-N 2.8Å; S337-D339 PolarHBondContact OG-OD2 2.97Å
338F32.8Very low31.9Very low158 Ų158130.5 Ų130.569%0.69380%0.803SS**  trans-102.772.7-171.3179.1-105.3000110.8Y340F338-Y340 HydrophobicContact CE1-CD2 4.47Å; F338-Y340 HydrophobicContact CE1-CE2 4.32Å; F338-Y340 HydrophobicContact CE2-CE2 4.16Å; F338-Y340 HydrophobicContact CZ-CD2 4.26Å; F338-Y340 AromaticContact CZ-CE2 3.75Å; F338-Y340 HydrophobicContact CZ-CE2 3.75Å
339D33.7Very low31.7Very low134 Ų134135.5 Ų135.572%0.71782%0.817SS**PPolyproline II helixtrans-101.5133.7173.7-74.2-61.5000111.3S337S337-D339 PolarHBondContact O-N 2.8Å; S337-D339 PolarHBondContact OG-OD2 2.97Å
340Y34.8Very low31.8Very low168 Ų168135.1 Ų135.166%0.65981%0.813SS**PPolyproline II helixtrans-85.1118.9-174.8-114.5-112000111.2R79 F338R79-Y340 VanDerWaalsContact NH1-CG 3.34Å; R79-Y340 VanDerWaalsContact NH2-CE2 3.34Å; F338-Y340 HydrophobicContact CE1-CD2 4.47Å; F338-Y340 HydrophobicContact CE1-CE2 4.32Å; F338-Y340 HydrophobicContact CE2-CE2 4.16Å; F338-Y340 HydrophobicContact CZ-CD2 4.26Å; F338-Y340 AromaticContact CZ-CE2 3.75Å; F338-Y340 HydrophobicContact CZ-CE2 3.75Å
341I29.7Very low31.9Very low173 Ų173139.1 Ų139.189%0.88782%0.818SS**PPolyproline II helixtrans-69.5135.1177.6-65.1175.3000110.8
342G33.1Very low31.8Very low76 Ų76137.8 Ų137.878%0.78482%0.817SS**  trans-177111.3166.800000114.1
343G31.6Very low32.4Very low83 Ų83139.1 Ų139.186%0.85682%0.819SS**  trans109.5102.2169.200000114.2
344G29.3Very low32.6Very low88 Ų88134.4 Ų134.491%0.90781%0.81SS**  trans-90.1150171.800000112.6
345G31.9Very low33Very low79 Ų79134 Ų13481%0.81481%0.811SS**  trans-168.7133172.600000108.7
346G32.2Very low33.3Very low88 Ų88137.3 Ų137.391%0.90781%0.811SS**  trans-70.4159.4-173.300000113.6
347G31.2Very low33.9Very low84 Ų84139 Ų13987%0.86681%0.81SS**  trans-103.7168175.600000112.9
348E34.7Very low34.5Very low182 Ų182142.7 Ų142.785%0.8581%0.813SS**  trans-143.7125.1164.1-145167.2127.400108.4
349Q31.4Very low35.3Very low199 Ų199141.1 Ų141.193%0.9382%0.819SS**  trans-88.6126.3170.4-76.2-173.6-10.900108.4
350I33.8Very low36.4Very low148 Ų148142.8 Ų142.876%0.75982%0.822SS**  trans-114.2136.1166.8-67.9178.2000109.8
351Q33.2Very low36.6Very low162 Ų162138 Ų13876%0.75782%0.824SS**  trans-43.9132.8-175.9-76.9155.1-21.100116.3H353Q351-H353 PolarHBondContact O-N 3.33Å
352T30.4Very low37.5Very low131 Ų131137.3 Ų137.380%0.80482%0.817SS**  trans0.8112.3135.954.70000117.1
353H38.1Very low37.9Very low179 Ų179142.8 Ų142.883%0.82982%0.822SS**  trans-130.8149153.7-84.2-69.1000110Q351Q351-H353 PolarHBondContact O-N 3.33Å
354P37.9Very low38.9Very low109 Ų109146.2 Ų146.271%0.70882%0.815SS**  trans-79.1157.9-161.331.5-36.8000114
355H36.1Very low39.1Very low183 Ų183145.3 Ų145.385%0.84781%0.806SS**  trans-8.6117.4170.6-66.7-87000117
356R39.1Very low39.5Very low237 Ų237149 Ų14989%0.89480%0.802SS**  trans-137.5114.1153.5-145.2-179.8166109.31.4109.1K358R356-K358 PolarHBondContact O-N 2.91Å; R356-K358 VanDerWaalsContact O-N 3.12Å
357D42.3Very low39.8Very low157 Ų157149.8 Ų149.884%0.8479%0.793SS**  trans-58.7114.8-173.7-53.3-73.5000110.7
358K48.2Very low40.5Very low178 Ų178152 Ų15277%0.77478%0.781SS**  trans-120.4118.6173.8-145.3167.2-171.3175.90106.2R356 H360R356-K358 PolarHBondContact O-N 2.91Å; R356-K358 VanDerWaalsContact O-N 3.12Å; K358-H360 PolarHBondContact O-N 2.84Å; K358-H360 VanDerWaalsContact O-N 3.12Å
359P49.6Very low41.5Very low126 Ų126149.4 Ų149.482%0.81877%0.772SS**  trans-59.7122.2-16922.9-33.2000109.6G361P359-G361 VanDerWaalsContact C-N 3.34Å; P359-G361 PolarHBondContact O-N 3.19Å
360H55Low42.9Very low169 Ų169144.6 Ų144.678%0.78275%0.753SS**  trans-66.696174.8-56.8-59.2000108.3K358 H362K358-H360 PolarHBondContact O-N 2.84Å; K358-H360 VanDerWaalsContact O-N 3.12Å; H360-H362 PolarHBondContact O-N 3.17Å
361G39.3Very low44.2Very low68 Ų68138.8 Ų138.870%0.70173%0.725SS**  trans-61.7101.8170.800000108.8P359 H363P359-G361 VanDerWaalsContact C-N 3.34Å; P359-G361 PolarHBondContact O-N 3.19Å; G361-H363 VanDerWaalsContact C-N 3.29Å; G361-H363 PolarHBondContact O-N 3.13Å
362H50.3Low45.8Very low158 Ų158134 Ų13473%0.73171%0.71SS**  trans-66.291.4173.9-72.2-60.7000109.2H360 H364H360-H362 PolarHBondContact O-N 3.17Å; H362-H364 VanDerWaalsContact C-N 3.3Å; H362-H364 PolarHBondContact O-N 2.92Å
363H41.3Very low47.6Very low190 Ų190129.9 Ų129.988%0.8868%0.684SS**  trans-63.793.7166.5-102.5-77.4000108.7G361 G365G361-H363 VanDerWaalsContact C-N 3.29Å; G361-H363 PolarHBondContact O-N 3.13Å; H363-G365 VanDerWaalsContact C-N 3.27Å; H363-G365 PolarHBondContact O-N 2.83Å
364H50.9Low49.2Very low156 Ų156127.7 Ų127.772%0.72267%0.669SS**  trans-6790.6163.6-70.6-67.3000108.5H362 H366H362-H364 VanDerWaalsContact C-N 3.3Å; H362-H364 PolarHBondContact O-N 2.92Å; H364-H366 PolarHBondContact O-N 3.11Å; H364-H366 VanDerWaalsContact O-N 3.07Å
365G33.5Very low50.9Low69 Ų69122.5 Ų122.571%0.71164%0.635SS**  trans-58.6111.5169.500000109.5H363 S367H363-G365 VanDerWaalsContact C-N 3.27Å; H363-G365 PolarHBondContact O-N 2.83Å; G365-S367 PolarHBondContact O-N 3.11Å
366H40.2Very low52.7Low157 Ų157115.5 Ų115.573%0.72760%0.604SS**  trans-67.3103.6-177.2-68.4-74.8000110.8H364 H368H364-H366 PolarHBondContact O-N 3.11Å; H364-H366 VanDerWaalsContact O-N 3.07Å; H366-H368 PolarHBondContact O-N 2.89Å
367S39.1Very low54.8Low104 Ų104104.4 Ų104.473%0.72756%0.562SS**THydrogen-bonded Turntrans-68.98.2175.2510000114.8G365G365-S367 PolarHBondContact O-N 3.11Å
368H46Very low56.7Low131 Ų131101.9 Ų101.961%0.60654%0.542SS*.Hα-helixtrans-76.7-22.2-179.2-79.4-81.2000114.3H366 S371 S372H366-H368 PolarHBondContact O-N 2.89Å; H368-S371 PolarHBondContact O-N 3.01Å; H368-S371 PolarHBondContact O-OG 3.31Å; H368-S372 PolarHBondContact O-N 2.94Å
369D56.9Low58.2Low126 Ų12693.4 Ų93.467%0.67451%0.505SS*.Hα-helixtrans-65.2-51.2-174.8-139.320.4000111S371 S372 V373D369-S371 VanDerWaalsContact C-N 3.27Å; D369-S371 PolarHBondContact O-N 2.87Å; D369-S372 PolarHBondContact O-N 2.98Å; D369-V373 WeakPolarHBondContact O-CG2 3.38Å; D369-V373 PolarHBondContact O-N 2.52Å
370L60.8Low59.7Low98 Ų9887.5 Ų87.551%0.51347%0.466SS..Hα-helixtrans-65.6-27.1-177.9-158.876.9000113.4R374L370-R374 VanDerWaalsContact O-CB 3.32Å; L370-R374 WeakPolarHBondContact O-CB 3.48Å; L370-R374 VanDerWaalsContact O-CG 3.28Å; L370-R374 WeakPolarHBondContact O-CG 3.5Å; L370-R374 PolarHBondContact O-N 3.06Å
371S61.1Low61.2Low27 Ų2780.4 Ų80.419%0.18943%0.434CS..Hα-helixtrans-74.5-34.8172.445.80000112.7Q173 H368 D369 A375Q173-S371 PolarHBondContact OE1-O 3.43Å; H368-S371 PolarHBondContact O-N 3.01Å; H368-S371 PolarHBondContact O-OG 3.31Å; D369-S371 VanDerWaalsContact C-N 3.27Å; D369-S371 PolarHBondContact O-N 2.87Å; S371-A375 WeakPolarHBondContact O-CB 3.37Å; S371-A375 PolarHBondContact O-N 2.92Å
372S65.5Low63.3Low62 Ų6279 Ų7943%0.43442%0.415SS..Hα-helixtrans-70.6-48.8177.8-153.50000110.3H368 D369 R374 A375 I376H368-S372 PolarHBondContact O-N 2.94Å; D369-S372 PolarHBondContact O-N 2.98Å; S372-R374 VanDerWaalsContact C-N 3.33Å; S372-R374 PolarHBondContact O-N 3.06Å; S372-A375 WeakPolarHBondContact O-CB 3.37Å; S372-A375 PolarHBondContact O-N 2.16Å; S372-I376 WeakPolarHBondContact O-CG1 3.43Å; S372-I376 PolarHBondContact O-N 2.54Å
373V68.6Low64.8Low43 Ų4371.5 Ų71.526%0.26138%0.381SS..Hα-helixtrans-60.4-40.5178.7170.70000111.8D369 A377 A431D369-V373 WeakPolarHBondContact O-CG2 3.38Å; D369-V373 PolarHBondContact O-N 2.52Å; V373-A377 PolarHBondContact O-N 3.31Å; V373-A431 HydrophobicContact CG1-CB 3.53Å
374R72.1Confident66.8Low133 Ų13363 Ų6350%0.50234%0.342SS..Hα-helixtrans-69.5-31.5172-76.6178.5175.8167.61.2113.2Q173 L370 S372 A377 Y378Q173-R374 PolarHBondContact NE2-O 3.18Å; L370-R374 VanDerWaalsContact O-CB 3.32Å; L370-R374 WeakPolarHBondContact O-CB 3.48Å; L370-R374 VanDerWaalsContact O-CG 3.28Å; L370-R374 WeakPolarHBondContact O-CG 3.5Å; L370-R374 PolarHBondContact O-N 3.06Å; S372-R374 VanDerWaalsContact C-N 3.33Å; S372-R374 PolarHBondContact O-N 3.06Å; R374-A377 PolarHBondContact O-N 2.9Å; R374-Y378 VanDerWaalsContact O-CD2 3.29Å; R374-Y378 WeakPolarHBondContact O-CD2 3.33Å; R374-Y378 PolarHBondContact O-N 2.87Å
375A73.7Confident68.5Low1 Ų155.8 Ų55.81%0.00831%0.31CS..Hα-helixtrans-67.9-43.6177.400000111.7I170 S371 S372 A377 Y378 T379I170-A375 HydrophobicContact CB-CB 4.38Å; I170-A375 HydrophobicContact CD1-CB 4.39Å; I170-A375 HydrophobicContact CG1-CB 3.37Å; S371-A375 WeakPolarHBondContact O-CB 3.37Å; S371-A375 PolarHBondContact O-N 2.92Å; S372-A375 WeakPolarHBondContact O-CB 3.37Å; S372-A375 PolarHBondContact O-N 2.16Å; A375-A377 VanDerWaalsContact C-N 3.31Å; A375-A377 PolarHBondContact O-N 3.33Å; A375-Y378 PolarHBondContact O-N 3.09Å; A375-T379 PolarHBondContact O-N 3.34Å; A375-T379 PolarHBondContact O-OG1 3.28Å
376I73.8Confident70.9Confident36 Ų3655.8 Ų55.819%0.18529%0.293CS..Hα-helixtrans-53.6-49.3172.7-65.4162.4000109.9S372 Y378 T379 I380 V427S372-I376 WeakPolarHBondContact O-CG1 3.43Å; S372-I376 PolarHBondContact O-N 2.54Å; I376-Y378 VanDerWaalsContact C-N 3.34Å; I376-Y378 PolarHBondContact O-N 2.97Å; I376-T379 WeakPolarHBondContact O-CB 3.47Å; I376-T379 PolarHBondContact O-N 3.07Å; I376-I380 HydrophobicContact CG2-CD1 3.76Å; I376-I380 HydrophobicContact CG2-CG1 4.35Å; I376-I380 WeakPolarHBondContact O-CG1 3.35Å; I376-I380 PolarHBondContact O-N 3.08Å; I376-V427 HydrophobicContact CG2-CG1 4.39Å
377A82Confident73Confident3 Ų348.4 Ų48.43%0.02526%0.26CS..Hα-helixtrans-56.2-38.7178.800000114.8V373 R374 A375 I381 L428 A431 M433V373-A377 PolarHBondContact O-N 3.31Å; R374-A377 PolarHBondContact O-N 2.9Å; A375-A377 VanDerWaalsContact C-N 3.31Å; A375-A377 PolarHBondContact O-N 3.33Å; A377-I381 WeakPolarHBondContact O-CD1 3.42Å; A377-I381 VanDerWaalsContact O-CG1 3.31Å; A377-I381 WeakPolarHBondContact O-CG1 3.34Å; A377-I381 PolarHBondContact O-N 3.48Å; A377-I381 VanDerWaalsContact O-N 3.17Å; A377-L428 HydrophobicContact CB-CD2 3.68Å; A377-L428 WeakPolarHBondContact O-CD2 3.24Å; A377-A431 HydrophobicContact CB-CB 3.85Å; A377-M433 HydrophobicContact CB-CE 4.39Å
378Y82.9Confident75.3Confident105 Ų10543.7 Ų43.741%0.41223%0.226SC..Hα-helixtrans-78.9-24.7175.6-78.4-88.1000113.3R374 A375 I376 A382R374-Y378 VanDerWaalsContact O-CD2 3.29Å; R374-Y378 WeakPolarHBondContact O-CD2 3.33Å; R374-Y378 PolarHBondContact O-N 2.87Å; A375-Y378 PolarHBondContact O-N 3.09Å; I376-Y378 VanDerWaalsContact C-N 3.34Å; I376-Y378 PolarHBondContact O-N 2.97Å; Y378-A382 WeakPolarHBondContact O-CB 3.46Å; Y378-A382 PolarHBondContact O-N 2.9Å; Y378-A382 VanDerWaalsContact O-N 3.13Å
379T79.5Confident77.3Confident0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-71.2-43.2174.2-51.70000109.6F162 E166 T169 A375 I376 A382 G383 D484F162-T379 HydrophobicContact CD1-CG2 4.37Å; E166-T379 HydrophobicContact CB-CG2 3.83Å; E166-T379 HydrophobicContact CG-CG2 4.07Å; T169-T379 PolarHBondContact OG1-OG1 3.12Å; A375-T379 PolarHBondContact O-N 3.34Å; A375-T379 PolarHBondContact O-OG1 3.28Å; I376-T379 WeakPolarHBondContact O-CB 3.47Å; I376-T379 PolarHBondContact O-N 3.07Å; T379-A382 CarbonylContact O-C 3.47Å; T379-A382 PolarHBondContact O-N 3.1Å; T379-A382 VanDerWaalsContact O-N 3.17Å; T379-G383 PolarHBondContact O-N 3.39Å; T379-D484 WeakPolarHBondContact CG2-OD2 3.41Å
380I81.5Confident78.6Confident1 Ų134.6 Ų34.61%0.00518%0.18CC..Hα-helixtrans-56.2-52.5170.9-72.2171.9000111.3I376 A382 G383 D384 D424 V427 L428I376-I380 HydrophobicContact CG2-CD1 3.76Å; I376-I380 HydrophobicContact CG2-CG1 4.35Å; I376-I380 WeakPolarHBondContact O-CG1 3.35Å; I376-I380 PolarHBondContact O-N 3.08Å; I380-A382 PolarHBondContact O-N 3.4Å; I380-G383 CarbonylContact O-C 3.57Å; I380-G383 VanDerWaalsContact O-CA 3.3Å; I380-G383 WeakPolarHBondContact O-CA 3.48Å; I380-G383 PolarHBondContact O-N 3.1Å; I380-D384 WeakPolarHBondContact O-CB 3.3Å; I380-D384 PolarHBondContact O-N 2.8Å; I380-D424 HydrophobicContact CG2-CB 3.81Å; I380-D424 WeakPolarHBondContact CG2-OD1 3.26Å; I380-V427 HydrophobicContact CD1-CB 3.79Å; I380-V427 HydrophobicContact CD1-CG1 3.45Å; I380-V427 VanDerWaalsContact CD1-CG1 3.45Å; I380-V427 HydrophobicContact CD1-CG2 4.28Å; I380-L428 HydrophobicContact CG2-CD2 4.5Å
381I85.9Confident79.8Confident21 Ų2130.4 Ų30.411%0.10816%0.158CC..Hα-helixtrans-58.6-32.8177.5-72.3160.4000112.8A377 G385 L428 M433 Y441A377-I381 WeakPolarHBondContact O-CD1 3.42Å; A377-I381 VanDerWaalsContact O-CG1 3.31Å; A377-I381 WeakPolarHBondContact O-CG1 3.34Å; A377-I381 PolarHBondContact O-N 3.48Å; A377-I381 VanDerWaalsContact O-N 3.17Å; I381-G385 PolarHBondContact O-N 3.38Å; I381-G385 VanDerWaalsContact O-N 3.12Å; I381-L428 HydrophobicContact CD1-CD1 4.31Å; I381-L428 HydrophobicContact CD1-CD2 3.82Å; I381-L428 HydrophobicContact CG1-CD1 4.05Å; I381-L428 HydrophobicContact CG1-CD2 3.94Å; I381-M433 HydrophobicContact CD1-CE 3.66Å; I381-M433 HydrophobicContact CD1-SD 4.12Å; I381-Y441 HydrophobicContact CD1-CD1 4.2Å; I381-Y441 HydrophobicContact CD1-CD2 3.46Å; I381-Y441 VanDerWaalsContact CD1-CD2 3.46Å; I381-Y441 HydrophobicContact CD1-CE2 3.95Å; I381-Y441 HydrophobicContact CD1-CG 3.61Å; I381-Y441 HydrophobicContact CG1-CD2 4.41Å; I381-Y441 HydrophobicContact CG1-CG 4.12Å; I381-Y441 HydrophobicContact CG2-CD1 3.64Å; I381-Y441 HydrophobicContact CG2-CE1 4.33Å; I381-Y441 HydrophobicContact CG2-CG 3.91Å
382A83.8Confident81.3Confident37 Ų3729.1 Ų29.131%0.30615%0.149SC..Hα-helixtrans-76.9-29.7174.700000112.5Y378 T379 I380 L386Y378-A382 WeakPolarHBondContact O-CB 3.46Å; Y378-A382 PolarHBondContact O-N 2.9Å; Y378-A382 VanDerWaalsContact O-N 3.13Å; T379-A382 CarbonylContact O-C 3.47Å; T379-A382 PolarHBondContact O-N 3.1Å; T379-A382 VanDerWaalsContact O-N 3.17Å; I380-A382 PolarHBondContact O-N 3.4Å; A382-L386 WeakPolarHBondContact O-CB 3.34Å; A382-L386 WeakPolarHBondContact O-CG 3.3Å; A382-L386 PolarHBondContact O-N 3Å
383G80.6Confident82.3Confident1 Ų126.5 Ų26.51%0.0113%0.13CC..Hα-helixtrans-63.2-64.817100000111.8F162 T379 I380 G385 L386 H387F162-G383 VanDerWaalsContact CE1-CA 3.47Å; F162-G383 VanDerWaalsContact CZ-CA 3.47Å; T379-G383 PolarHBondContact O-N 3.39Å; I380-G383 CarbonylContact O-C 3.57Å; I380-G383 VanDerWaalsContact O-CA 3.3Å; I380-G383 WeakPolarHBondContact O-CA 3.48Å; I380-G383 PolarHBondContact O-N 3.1Å; G383-G385 VanDerWaalsContact C-N 3.33Å; G383-G385 PolarHBondContact O-N 3.32Å; G383-L386 CarbonylContact O-C 3.58Å; G383-L386 PolarHBondContact O-N 2.89Å; G383-H387 PolarHBondContact O-N 3.11Å
384D84.2Confident83Confident12 Ų1225.2 Ų25.26%0.06412%0.124CC..Hα-helixtrans-41.1-57.5169.9164.823.1000111.2I380 L386 H387 N388 S445I380-D384 WeakPolarHBondContact O-CB 3.3Å; I380-D384 PolarHBondContact O-N 2.8Å; D384-L386 PolarHBondContact O-N 3.39Å; D384-L386 VanDerWaalsContact O-N 3.08Å; D384-H387 WeakPolarHBondContact O-CB 3.43Å; D384-H387 PolarHBondContact O-N 2.9Å; D384-N388 WeakPolarHBondContact O-CB 3.24Å; D384-N388 PolarHBondContact O-N 2.67Å; D384-N388 PolarHBondContact OD1-ND2 2.98Å; D384-S445 PolarHBondContact O-OG 3.07Å; D384-S445 VanDerWaalsContact OD1-CB 3.25Å; D384-S445 WeakPolarHBondContact OD1-CB 3.27Å; D384-S445 PolarHBondContact OD1-OG 3.27Å; D384-S445 WeakPolarHBondContact OD2-CB 2.85Å; D384-S445 PolarHBondContact OD2-OG 2.97Å
385G87.4Confident83.8Confident5 Ų518.9 Ų18.95%0.05210%0.1CC..Hα-helixtrans-57.7-28.3-179.900000115.7I381 G383 F389 S445 L448I381-G385 PolarHBondContact O-N 3.38Å; I381-G385 VanDerWaalsContact O-N 3.12Å; G383-G385 VanDerWaalsContact C-N 3.33Å; G383-G385 PolarHBondContact O-N 3.32Å; G385-F389 WeakPolarHBondContact O-CB 3.13Å; G385-F389 PolarHBondContact O-N 3.2Å; G385-S445 VanDerWaalsContact CA-OG 3.3Å; G385-S445 WeakPolarHBondContact CA-OG 3.41Å; G385-S445 PolarHBondContact N-OG 2.89Å; G385-L448 WeakPolarHBondContact O-CB 3.09Å; G385-L448 WeakPolarHBondContact O-CD1 3.32Å
386L83.7Confident84.6Confident68 Ų6818.8 Ų18.836%0.35610%0.1SC..Hα-helixtrans-92.1-28.2176.5-74.4170.1000112.9F162 A382 G383 D384 C390 M476F162-L386 HydrophobicContact CE2-CD1 3.65Å; F162-L386 HydrophobicContact CZ-CD1 3.91Å; A382-L386 WeakPolarHBondContact O-CB 3.34Å; A382-L386 WeakPolarHBondContact O-CG 3.3Å; A382-L386 PolarHBondContact O-N 3Å; G383-L386 CarbonylContact O-C 3.58Å; G383-L386 PolarHBondContact O-N 2.89Å; D384-L386 PolarHBondContact O-N 3.39Å; D384-L386 VanDerWaalsContact O-N 3.08Å; L386-C390 PolarHBondContact O-N 3.28Å; L386-C390 VanDerWaalsContact O-N 3.17Å; L386-C390 PolarHBondContact O-SG 3.32Å; L386-C390 VanDerWaalsContact O-SG 3.34Å; L386-M476 HydrophobicContact CB-CE 4.06Å; L386-M476 HydrophobicContact CB-SD 4.11Å; L386-M476 HydrophobicContact CD1-SD 4.07Å
387H83.8Confident85.1Confident3 Ų317.6 Ų17.61%0.01410%0.095CC..Hα-helixtrans-59.4-61.4168.2-175.388.1000109.4G383 D384 F389 C390 D391 H416 E417 H420 F477G383-H387 PolarHBondContact O-N 3.11Å; D384-H387 WeakPolarHBondContact O-CB 3.43Å; D384-H387 PolarHBondContact O-N 2.9Å; H387-F389 PolarHBondContact O-N 3.05Å; H387-F389 VanDerWaalsContact O-N 3.11Å; H387-C390 WeakPolarHBondContact O-CA 3.45Å; H387-C390 WeakPolarHBondContact O-CB 3.39Å; H387-C390 PolarHBondContact O-N 2.91Å; H387-D391 IonicContact CD2-OD2 3.28Å; H387-D391 PolarHBondContact CD2-OD2 3.02Å; H387-D391 IonicContact CG-OD2 3.93Å; H387-D391 IonicContact NE2-OD1 3.06Å; H387-D391 IonicContact NE2-OD2 3.98Å; H387-D391 PolarHBondContact NE2-OD2 2.83Å; H387-D391 PolarHBondContact O-N 3.47Å; H387-H416 AromaticContact NE2-CD2 3.83Å; H387-H416 AromaticContact NE2-NE2 3.78Å; H387-E417 IonicContact CD2-OE1 3.79Å; H387-E417 IonicContact CD2-OE2 2.87Å; H387-E417 PolarHBondContact CD2-OE2 3.46Å; H387-E417 VanDerWaalsContact CD2-OE2 3.28Å; H387-E417 IonicContact NE2-OE2 2.94Å; H387-E417 PolarHBondContact NE2-OE2 3.07Å; H387-H420 AromaticContact CD2-CE1 2.87Å; H387-H420 PolarHBondContact CD2-CE1 3.45Å; H387-H420 AromaticContact CD2-ND1 3.86Å; H387-H420 AromaticContact CE1-CE1 2.52Å; H387-H420 PolarHBondContact CE1-CE1 2.88Å; H387-H420 AromaticContact CE1-ND1 3.15Å; H387-H420 PolarHBondContact CE1-ND1 3.45Å; H387-H420 AromaticContact CE1-NE2 2.83Å; H387-H420 PolarHBondContact CE1-NE2 3.38Å; H387-H420 AromaticContact CG-CE1 3.44Å; H387-H420 VanDerWaalsContact CG-CE1 3.44Å; H387-H420 AromaticContact ND1-CE1 3.18Å; H387-H420 PolarHBondContact ND1-CE1 2.96Å; H387-H420 AromaticContact ND1-ND1 3.82Å; H387-H420 AromaticContact ND1-NE2 3.78Å; H387-H420 AromaticContact NE2-CE1 2.16Å; H387-H420 PolarHBondContact NE2-CE1 3.13Å; H387-H420 AromaticContact NE2-ND1 3.06Å; H387-H420 PolarHBondContact NE2-ND1 2.92Å; H387-H420 AromaticContact NE2-NE2 3.37Å; H387-H420 PolarHBondContact NE2-NE2 3.49Å; H387-F477 HydrophobicContact CB-CE1 3.7Å; H387-F477 HydrophobicContact CB-CZ 3.99Å; H387-F477 AromaticContact CE1-CD2 3.99Å; H387-F477 AromaticContact CE1-CE2 3.41Å; H387-F477 VanDerWaalsContact CE1-CE2 3.41Å; H387-F477 WeakPolarHBondContact CE1-CE2 3.47Å; H387-F477 AromaticContact CE1-CZ 3.58Å; H387-F477 AromaticContact CG-CE1 3.76Å; H387-F477 AromaticContact CG-CZ 3.66Å; H387-F477 AromaticContact ND1-CD1 3.62Å; H387-F477 AromaticContact ND1-CD2 3.72Å; H387-F477 AromaticContact ND1-CE1 3.09Å; H387-F477 WeakPolarHBondContact ND1-CE1 3.43Å; H387-F477 AromaticContact ND1-CE2 3.13Å; H387-F477 WeakPolarHBondContact ND1-CE2 3.47Å; H387-F477 AromaticContact ND1-CG 3.97Å; H387-F477 AromaticContact ND1-CZ 2.85Å; H387-F477 WeakPolarHBondContact ND1-CZ 3.39Å
388N87.6Confident85.2Confident4 Ų418.2 Ų18.22%0.02110%0.1CC..Hα-helixtrans-52-39.5176.9-101.9-75.2000113D384 G392 E417 S445 C449D384-N388 WeakPolarHBondContact O-CB 3.24Å; D384-N388 PolarHBondContact O-N 2.67Å; D384-N388 PolarHBondContact OD1-ND2 2.98Å; N388-G392 PolarHBondContact O-N 3.04Å; N388-E417 PolarHBondContact ND2-OE1 3.47Å; N388-S445 WeakPolarHBondContact CB-OG 3.42Å; N388-S445 PolarHBondContact ND2-OG 3.04Å; N388-C449 HydrophobicContact CB-CB 3.97Å; N388-C449 WeakPolarHBondContact O-CA 3.45Å; N388-C449 WeakPolarHBondContact O-CB 3.5Å; N388-C449 PolarHBondContact O-SG 3.25Å; N388-C449 WeakPolarHBondContact OD1-CB 3.4Å
389F88.1Confident85.5Confident56 Ų5613.3 Ų13.325%0.2468%0.081CC..Hα-helixtrans-62.6-43175.4-180-103.7000112.9G385 H387 G392 I393 L448 I455G385-F389 WeakPolarHBondContact O-CB 3.13Å; G385-F389 PolarHBondContact O-N 3.2Å; H387-F389 PolarHBondContact O-N 3.05Å; H387-F389 VanDerWaalsContact O-N 3.11Å; F389-G392 PolarHBondContact O-N 3.04Å; F389-I393 HydrophobicContact CD1-CD1 4.06Å; F389-I393 HydrophobicContact CE1-CD1 3.48Å; F389-I393 VanDerWaalsContact CE1-CD1 3.48Å; F389-I393 HydrophobicContact CE1-CG1 4.48Å; F389-I393 HydrophobicContact CZ-CD1 3.77Å; F389-I393 WeakPolarHBondContact O-CG1 3.22Å; F389-I393 PolarHBondContact O-N 3.07Å; F389-I393 VanDerWaalsContact O-N 3.1Å; F389-L448 HydrophobicContact CB-CB 4.24Å; F389-L448 WeakPolarHBondContact CD2-O 3.38Å; F389-I455 HydrophobicContact CE2-CD1 3.99Å; F389-I455 HydrophobicContact CZ-CD1 4.02Å
390C83Confident85.9Confident10 Ų1014 Ų147%0.0689%0.086CC..Hα-helixtrans-67.7-42.1177.1-72.40000111.8L386 H387 G392 I393 A394 I469 A473L386-C390 PolarHBondContact O-N 3.28Å; L386-C390 VanDerWaalsContact O-N 3.17Å; L386-C390 PolarHBondContact O-SG 3.32Å; L386-C390 VanDerWaalsContact O-SG 3.34Å; H387-C390 WeakPolarHBondContact O-CA 3.45Å; H387-C390 WeakPolarHBondContact O-CB 3.39Å; H387-C390 PolarHBondContact O-N 2.91Å; C390-G392 VanDerWaalsContact C-N 3.29Å; C390-G392 PolarHBondContact O-N 3.42Å; C390-I393 WeakPolarHBondContact O-CB 3.39Å; C390-I393 PolarHBondContact O-N 2.99Å; C390-I393 VanDerWaalsContact O-N 3.1Å; C390-A394 PolarHBondContact O-N 3.36Å; C390-I469 HydrophobicContact CB-CG2 4.5Å; C390-A473 HydrophobicContact CB-CB 4.26Å
391D87.2Confident85.8Confident10 Ų1017.4 Ų17.45%0.05311%0.111CC..Hα-helixtrans-62.5-40.3175.1-54.9-22.9000111.4H387 I393 A394 I395 V413 H416H387-D391 IonicContact CD2-OD2 3.28Å; H387-D391 PolarHBondContact CD2-OD2 3.02Å; H387-D391 IonicContact CG-OD2 3.93Å; H387-D391 IonicContact NE2-OD1 3.06Å; H387-D391 IonicContact NE2-OD2 3.98Å; H387-D391 PolarHBondContact NE2-OD2 2.83Å; H387-D391 PolarHBondContact O-N 3.47Å; D391-I393 VanDerWaalsContact C-N 3.34Å; D391-I393 PolarHBondContact O-N 2.92Å; D391-A394 PolarHBondContact O-N 3.16Å; D391-I395 WeakPolarHBondContact O-CB 3.25Å; D391-I395 VanDerWaalsContact O-CG1 3.3Å; D391-I395 WeakPolarHBondContact O-CG1 3.48Å; D391-I395 PolarHBondContact O-N 3.49Å; D391-V413 HydrophobicContact CB-CG1 3.78Å; D391-V413 HydrophobicContact CB-CG2 3.98Å; D391-H416 IonicContact OD1-NE2 2.94Å
392G91.3Very high85.6Confident0 Ų019.7 Ų19.70%012%0.123CC..Hα-helixtrans-51.3-55169.700000110.7N388 F389 C390 A394 I395 G396 C449 M453N388-G392 PolarHBondContact O-N 3.04Å; F389-G392 PolarHBondContact O-N 3.04Å; C390-G392 VanDerWaalsContact C-N 3.29Å; C390-G392 PolarHBondContact O-N 3.42Å; G392-A394 VanDerWaalsContact C-N 3.34Å; G392-A394 PolarHBondContact O-N 3.05Å; G392-I395 PolarHBondContact O-N 2.92Å; G392-G396 PolarHBondContact O-N 3.4Å; G392-C449 WeakPolarHBondContact CA-O 3.34Å; G392-M453 VanDerWaalsContact C-CA 3.5Å; G392-M453 WeakPolarHBondContact O-CA 3.45Å; G392-M453 WeakPolarHBondContact O-CB 3.46Å; G392-M453 PolarHBondContact O-N 3.27Å
393I87.5Confident85.8Confident7 Ų721.5 Ų21.54%0.03613%0.126CC..Hα-helixtrans-56.8-46.6178.4-69173.8000111.3F389 C390 D391 G396 A397 G452 I469F389-I393 HydrophobicContact CD1-CD1 4.06Å; F389-I393 HydrophobicContact CE1-CD1 3.48Å; F389-I393 VanDerWaalsContact CE1-CD1 3.48Å; F389-I393 HydrophobicContact CE1-CG1 4.48Å; F389-I393 HydrophobicContact CZ-CD1 3.77Å; F389-I393 WeakPolarHBondContact O-CG1 3.22Å; F389-I393 PolarHBondContact O-N 3.07Å; F389-I393 VanDerWaalsContact O-N 3.1Å; C390-I393 WeakPolarHBondContact O-CB 3.39Å; C390-I393 PolarHBondContact O-N 2.99Å; C390-I393 VanDerWaalsContact O-N 3.1Å; D391-I393 VanDerWaalsContact C-N 3.34Å; D391-I393 PolarHBondContact O-N 2.92Å; I393-G396 PolarHBondContact O-N 3.19Å; I393-A397 WeakPolarHBondContact O-CB 3.21Å; I393-A397 PolarHBondContact O-N 2.86Å; I393-G452 WeakPolarHBondContact CA-O 3.5Å; I393-G452 VanDerWaalsContact CG1-O 3.32Å; I393-G452 WeakPolarHBondContact CG1-O 3.22Å; I393-G452 PolarHBondContact N-O 3.34Å; I393-I469 HydrophobicContact CD1-CD1 4.13Å; I393-I469 HydrophobicContact CD1-CG2 4.45Å; I393-I469 HydrophobicContact CG2-CD1 4.3Å
394A84Confident86Confident16 Ų1628.8 Ų28.813%0.13215%0.153CC..Hα-helixtrans-59.8-49.817900000112.1C390 D391 G392 G396 A397 A398 T409 F470C390-A394 PolarHBondContact O-N 3.36Å; D391-A394 PolarHBondContact O-N 3.16Å; G392-A394 VanDerWaalsContact C-N 3.34Å; G392-A394 PolarHBondContact O-N 3.05Å; A394-G396 VanDerWaalsContact C-N 3.31Å; A394-G396 PolarHBondContact O-N 3.12Å; A394-A397 PolarHBondContact O-N 3.17Å; A394-A398 WeakPolarHBondContact O-CB 3.18Å; A394-A398 PolarHBondContact O-N 2.82Å; A394-T409 HydrophobicContact CB-CG2 4.05Å; A394-F470 HydrophobicContact CB-CE1 4.1Å; A394-F470 HydrophobicContact CB-CZ 4.29Å
395I88.9Confident85.7Confident0 Ų028.4 Ų28.40%015%0.152CC..Hα-helixtrans-58.2-44.6175.3-70.2169.3000110.5A56 A59 V60 V63 D391 G392 F399 T409 V413 M453A56-I395 HydrophobicContact CB-CG2 4.45Å; A59-I395 HydrophobicContact CB-CG2 4.12Å; V60-I395 HydrophobicContact CG2-CG2 4.35Å; V63-I395 HydrophobicContact CG2-CD1 4.39Å; D391-I395 WeakPolarHBondContact O-CB 3.25Å; D391-I395 VanDerWaalsContact O-CG1 3.3Å; D391-I395 WeakPolarHBondContact O-CG1 3.48Å; D391-I395 PolarHBondContact O-N 3.49Å; G392-I395 PolarHBondContact O-N 2.92Å; I395-F399 HydrophobicContact CG2-CD2 3.74Å; I395-F399 HydrophobicContact CG2-CE2 3.91Å; I395-F399 WeakPolarHBondContact O-CB 3.39Å; I395-F399 VanDerWaalsContact O-CD2 3.32Å; I395-F399 WeakPolarHBondContact O-CD2 3.34Å; I395-F399 PolarHBondContact O-N 3.25Å; I395-T409 HydrophobicContact CG1-CG2 4.32Å; I395-V413 HydrophobicContact CD1-CB 4.22Å; I395-V413 HydrophobicContact CD1-CG1 4.09Å; I395-V413 HydrophobicContact CD1-CG2 4.22Å; I395-V413 HydrophobicContact CG1-CG2 4.23Å; I395-M453 HydrophobicContact CG2-CG 4.31Å
396G89.8Confident85.7Confident0 Ų028.2 Ų28.20%015%0.15CC..Hα-helixtrans-61-50.9178.700000112.7G392 I393 A394 F399 A400 F457G392-G396 PolarHBondContact O-N 3.4Å; I393-G396 PolarHBondContact O-N 3.19Å; A394-G396 VanDerWaalsContact C-N 3.31Å; A394-G396 PolarHBondContact O-N 3.12Å; G396-F399 PolarHBondContact O-N 2.89Å; G396-A400 WeakPolarHBondContact O-CB 3.11Å; G396-A400 PolarHBondContact O-N 3.02Å; G396-F457 WeakPolarHBondContact O-CA 3.49Å; G396-F457 WeakPolarHBondContact O-CD2 3.4Å
397A83.9Confident86Confident11 Ų1129.2 Ų29.29%0.09116%0.155CC..Hα-helixtrans-66.8-37.8-179.700000112.4I393 A394 A400 S401I393-A397 WeakPolarHBondContact O-CB 3.21Å; I393-A397 PolarHBondContact O-N 2.86Å; A394-A397 PolarHBondContact O-N 3.17Å; A397-A400 WeakPolarHBondContact O-CB 3.46Å; A397-A400 PolarHBondContact O-N 3.46Å; A397-S401 PolarHBondContact O-N 3.27Å; A397-S401 PolarHBondContact O-OG 3.33Å; A397-S401 VanDerWaalsContact O-OG 3.11Å
398A84.5Confident85.9Confident16 Ų1629.4 Ų29.413%0.13216%0.157CC..Hα-helixtrans-65.7-46.1176.200000111.7A394 A400 S401 D402 T409A394-A398 WeakPolarHBondContact O-CB 3.18Å; A394-A398 PolarHBondContact O-N 2.82Å; A398-A400 VanDerWaalsContact C-N 3.34Å; A398-A400 PolarHBondContact O-N 3.31Å; A398-S401 PolarHBondContact O-N 3.14Å; A398-D402 PolarHBondContact O-N 2.93Å; A398-T409 HydrophobicContact CB-CG2 4.22Å; A398-T409 WeakPolarHBondContact CB-OG1 3.46Å
399F89.9Confident85.8Confident2 Ų230.3 Ų30.31%0.00916%0.162CC..Hα-helixtrans-69.6-27.3174.6-86-64.2000114.1A52 A55 A56 A59 I395 G396 M403 G406 L407 S410 F457A52-F399 VanDerWaalsContact CB-O 3.29Å; A52-F399 WeakPolarHBondContact CB-O 3.44Å; A55-F399 HydrophobicContact CB-CD1 3.98Å; A55-F399 HydrophobicContact CB-CE1 3.5Å; A55-F399 VanDerWaalsContact CB-CE1 3.5Å; A55-F399 HydrophobicContact CB-CZ 3.87Å; A56-F399 VanDerWaalsContact CA-CD2 3.43Å; A56-F399 HydrophobicContact CB-CB 3.96Å; A56-F399 HydrophobicContact CB-CD2 3.47Å; A56-F399 VanDerWaalsContact CB-CD2 3.47Å; A56-F399 HydrophobicContact CB-CE2 4.16Å; A56-F399 HydrophobicContact CB-CG 3.88Å; A59-F399 HydrophobicContact CB-CE2 3.79Å; A59-F399 HydrophobicContact CB-CZ 4.37Å; I395-F399 HydrophobicContact CG2-CD2 3.74Å; I395-F399 HydrophobicContact CG2-CE2 3.91Å; I395-F399 WeakPolarHBondContact O-CB 3.39Å; I395-F399 VanDerWaalsContact O-CD2 3.32Å; I395-F399 WeakPolarHBondContact O-CD2 3.34Å; I395-F399 PolarHBondContact O-N 3.25Å; G396-F399 PolarHBondContact O-N 2.89Å; F399-M403 HydrophobicContact CD1-SD 4.22Å; F399-M403 HydrophobicContact CE1-SD 3.78Å; F399-G406 WeakPolarHBondContact CE2-O 3.31Å; F399-L407 HydrophobicContact CE1-CD2 4.43Å; F399-L407 HydrophobicContact CE1-CG 4.07Å; F399-L407 HydrophobicContact CZ-CD2 4.07Å; F399-L407 HydrophobicContact CZ-CG 4.1Å; F399-S410 VanDerWaalsContact CE2-OG 3.22Å; F399-S410 WeakPolarHBondContact CE2-OG 3.5Å; F399-F457 HydrophobicContact CB-CD2 4.11Å; F399-F457 HydrophobicContact CB-CE2 4.04Å
400A86.7Confident85.9Confident13 Ų1328.1 Ų28.111%0.10715%0.154CC..Hα-helixtrans-62.3-47.917100000110.3H46 G396 A397 A398 F457H46-A400 PolarHBondContact CE1-O 3.37Å; H46-A400 PolarHBondContact NE2-O 2.84Å; G396-A400 WeakPolarHBondContact O-CB 3.11Å; G396-A400 PolarHBondContact O-N 3.02Å; A397-A400 WeakPolarHBondContact O-CB 3.46Å; A397-A400 PolarHBondContact O-N 3.46Å; A398-A400 VanDerWaalsContact C-N 3.34Å; A398-A400 PolarHBondContact O-N 3.31Å; A400-F457 HydrophobicContact CB-CD2 4.2Å; A400-F457 HydrophobicContact CB-CE2 4.44Å; A400-F457 HydrophobicContact CB-CG 4.45Å
401S80.1Confident86.1Confident74 Ų7432 Ų3252%0.51717%0.173SC..Hα-helixtrans-62-60.8176.4-60.60000112.7A397 A398A397-S401 PolarHBondContact O-N 3.27Å; A397-S401 PolarHBondContact O-OG 3.33Å; A397-S401 VanDerWaalsContact O-OG 3.11Å; A398-S401 PolarHBondContact O-N 3.14Å
402D81.8Confident86Confident69 Ų6932 Ų3237%0.36918%0.175SC..  trans-159.9163.2178.793.5-84.5000114.4A398 R404 G405 G406A398-D402 PolarHBondContact O-N 2.93Å; D402-R404 WeakPolarHBondContact OD2-CA 3.31Å; D402-R404 VanDerWaalsContact OD2-CB 3.3Å; D402-R404 WeakPolarHBondContact OD2-CB 3.32Å; D402-R404 PolarHBondContact OD2-N 2.9Å; D402-G405 WeakPolarHBondContact OD1-CA 3.48Å; D402-G405 PolarHBondContact OD1-N 3.41Å; D402-G405 VanDerWaalsContact OD1-N 3.1Å; D402-G405 PolarHBondContact OD2-N 2.96Å; D402-G406 PolarHBondContact O-N 3.47Å
403M87.6Confident85.7Confident74 Ų7432.3 Ų32.337%0.36518%0.176SC..Hα-helixtrans-71.3-32.5-176.2-177.764.959.400113.9A52 A55 F399 L407A52-M403 HydrophobicContact CB-CE 4.1Å; A55-M403 HydrophobicContact CB-CE 3.96Å; A55-M403 HydrophobicContact CB-SD 3.74Å; F399-M403 HydrophobicContact CD1-SD 4.22Å; F399-M403 HydrophobicContact CE1-SD 3.78Å; M403-L407 HydrophobicContact CG-CD1 4.29Å; M403-L407 WeakPolarHBondContact O-CB 3.48Å; M403-L407 WeakPolarHBondContact O-CD1 3.03Å; M403-L407 VanDerWaalsContact O-CG 3.22Å; M403-L407 WeakPolarHBondContact O-CG 3.39Å; M403-L407 PolarHBondContact O-N 3.38Å; M403-L407 VanDerWaalsContact O-N 3.16Å; M403-L407 HydrophobicContact SD-CD1 4.44Å
404R84.9Confident85.8Confident155 Ų15533.7 Ų33.759%0.58518%0.184SC*.Hα-helixtrans-80.3-45.7-179.1-65.2176172.1-122.57.1110.7D402 L407 S408 H534D402-R404 WeakPolarHBondContact OD2-CA 3.31Å; D402-R404 VanDerWaalsContact OD2-CB 3.3Å; D402-R404 WeakPolarHBondContact OD2-CB 3.32Å; D402-R404 PolarHBondContact OD2-N 2.9Å; R404-L407 PolarHBondContact O-N 3.16Å; R404-S408 WeakPolarHBondContact O-CB 3.5Å; R404-S408 PolarHBondContact O-N 3.16Å; R404-H534 PolarHBondContact NH1-O 3.16Å; R404-H534 PolarHBondContact NH1-OXT 3.4Å
405G77.7Confident85.8Confident4 Ų435.5 Ų35.54%0.04120%0.195CC..Hα-helixtrans-53.3-54.117000000110.9D402 L407 S408 T409D402-G405 WeakPolarHBondContact OD1-CA 3.48Å; D402-G405 PolarHBondContact OD1-N 3.41Å; D402-G405 VanDerWaalsContact OD1-N 3.1Å; D402-G405 PolarHBondContact OD2-N 2.96Å; G405-L407 PolarHBondContact O-N 3.33Å; G405-S408 WeakPolarHBondContact O-CB 3.43Å; G405-S408 PolarHBondContact O-N 3.4Å; G405-T409 PolarHBondContact O-N 3.46Å; G405-T409 PolarHBondContact O-OG1 2.86Å
406G86.7Confident85.6Confident0 Ų035.7 Ų35.70%020%0.196CC..Hα-helixtrans-54.5-43.4176.100000114.8F399 D402 S410F399-G406 WeakPolarHBondContact CE2-O 3.31Å; D402-G406 PolarHBondContact O-N 3.47Å; G406-S410 WeakPolarHBondContact O-CB 3.37Å; G406-S410 PolarHBondContact O-N 3.16Å; G406-S410 PolarHBondContact O-OG 3.19Å
407L90.1Very high85.4Confident89 Ų8935.9 Ų35.947%0.46620%0.197SC..Hα-helixtrans-67.3-39.4175.1-76.4169.7000112.7F399 M403 R404 G405 S410 I411F399-L407 HydrophobicContact CE1-CD2 4.43Å; F399-L407 HydrophobicContact CE1-CG 4.07Å; F399-L407 HydrophobicContact CZ-CD2 4.07Å; F399-L407 HydrophobicContact CZ-CG 4.1Å; M403-L407 HydrophobicContact CG-CD1 4.29Å; M403-L407 WeakPolarHBondContact O-CB 3.48Å; M403-L407 WeakPolarHBondContact O-CD1 3.03Å; M403-L407 VanDerWaalsContact O-CG 3.22Å; M403-L407 WeakPolarHBondContact O-CG 3.39Å; M403-L407 PolarHBondContact O-N 3.38Å; M403-L407 VanDerWaalsContact O-N 3.16Å; M403-L407 HydrophobicContact SD-CD1 4.44Å; R404-L407 PolarHBondContact O-N 3.16Å; G405-L407 PolarHBondContact O-N 3.33Å; L407-S410 PolarHBondContact O-N 3.17Å; L407-I411 VanDerWaalsContact O-CG1 3.31Å; L407-I411 WeakPolarHBondContact O-CG1 3.22Å; L407-I411 PolarHBondContact O-N 3.48Å; L407-I411 VanDerWaalsContact O-N 3.07Å
408S83.2Confident85.3Confident8 Ų838.4 Ų38.46%0.05621%0.208CC..Hα-helixtrans-60.7-54.7176.1-174.80000110.8R404 G405 S410 I411 A412 F531R404-S408 WeakPolarHBondContact O-CB 3.5Å; R404-S408 PolarHBondContact O-N 3.16Å; G405-S408 WeakPolarHBondContact O-CB 3.43Å; G405-S408 PolarHBondContact O-N 3.4Å; S408-S410 VanDerWaalsContact C-N 3.27Å; S408-S410 PolarHBondContact O-N 3.47Å; S408-I411 PolarHBondContact O-N 3.34Å; S408-A412 PolarHBondContact O-N 3.08Å; S408-F531 VanDerWaalsContact OG-CB 3.22Å; S408-F531 WeakPolarHBondContact OG-CB 3.38Å
409T84Confident85Confident22 Ų2238 Ų3814%0.13520%0.204CC..Hα-helixtrans-57-40.3177-54.70000111.5A394 I395 A398 G405 I411 A412 V413A394-T409 HydrophobicContact CB-CG2 4.05Å; I395-T409 HydrophobicContact CG1-CG2 4.32Å; A398-T409 HydrophobicContact CB-CG2 4.22Å; A398-T409 WeakPolarHBondContact CB-OG1 3.46Å; G405-T409 PolarHBondContact O-N 3.46Å; G405-T409 PolarHBondContact O-OG1 2.86Å; T409-I411 VanDerWaalsContact C-N 3.34Å; T409-I411 PolarHBondContact O-N 3.49Å; T409-A412 PolarHBondContact O-N 2.94Å; T409-V413 HydrophobicContact CG2-CG2 4.5Å; T409-V413 WeakPolarHBondContact O-CB 3.34Å; T409-V413 WeakPolarHBondContact O-CG2 3.47Å; T409-V413 PolarHBondContact O-N 3.18Å
410S90.2Very high84.7Confident11 Ų1138 Ų388%0.07721%0.205CC..Hα-helixtrans-64-35.7177-58.80000113.7A59 F399 G406 L407 S408 L414A59-S410 WeakPolarHBondContact CB-OG 3.32Å; F399-S410 VanDerWaalsContact CE2-OG 3.22Å; F399-S410 WeakPolarHBondContact CE2-OG 3.5Å; G406-S410 WeakPolarHBondContact O-CB 3.37Å; G406-S410 PolarHBondContact O-N 3.16Å; G406-S410 PolarHBondContact O-OG 3.19Å; L407-S410 PolarHBondContact O-N 3.17Å; S408-S410 VanDerWaalsContact C-N 3.27Å; S408-S410 PolarHBondContact O-N 3.47Å; S410-L414 WeakPolarHBondContact O-CB 3.24Å; S410-L414 PolarHBondContact O-N 3.23Å; S410-L414 VanDerWaalsContact O-N 3.11Å
411I88.5Confident84.6Confident91 Ų9137.9 Ų37.947%0.46720%0.202SC..Hα-helixtrans-74.8-40.9176.2-67.9164.7000110.1L407 S408 T409 L414 C415L407-I411 VanDerWaalsContact O-CG1 3.31Å; L407-I411 WeakPolarHBondContact O-CG1 3.22Å; L407-I411 PolarHBondContact O-N 3.48Å; L407-I411 VanDerWaalsContact O-N 3.07Å; S408-I411 PolarHBondContact O-N 3.34Å; T409-I411 VanDerWaalsContact C-N 3.34Å; T409-I411 PolarHBondContact O-N 3.49Å; I411-L414 PolarHBondContact O-N 2.86Å; I411-C415 WeakPolarHBondContact O-CB 3.29Å; I411-C415 PolarHBondContact O-N 2.79Å; I411-C415 PolarHBondContact O-SG 2.86Å; I411-C415 VanDerWaalsContact O-SG 3.33Å
412A83.8Confident84.6Confident11 Ų1136 Ų369%0.09119%0.186CC..Hα-helixtrans-57.2-51174.500000111.3S408 T409 C415 H416 I524S408-A412 PolarHBondContact O-N 3.08Å; T409-A412 PolarHBondContact O-N 2.94Å; A412-C415 PolarHBondContact O-N 3.33Å; A412-C415 VanDerWaalsContact O-N 3.14Å; A412-H416 PolarHBondContact O-N 3.47Å; A412-H416 VanDerWaalsContact O-N 3.14Å; A412-I524 HydrophobicContact CB-CG2 3.68Å
413V87Confident84.5Confident5 Ų532.7 Ų32.73%0.0317%0.168CC..Hα-helixtrans-56.9-52.7175.5167.90000111.2V63 D391 I395 T409 C415 H416 E417V63-V413 HydrophobicContact CG1-CG1 4Å; V63-V413 HydrophobicContact CG2-CG1 3.98Å; D391-V413 HydrophobicContact CB-CG1 3.78Å; D391-V413 HydrophobicContact CB-CG2 3.98Å; I395-V413 HydrophobicContact CD1-CB 4.22Å; I395-V413 HydrophobicContact CD1-CG1 4.09Å; I395-V413 HydrophobicContact CD1-CG2 4.22Å; I395-V413 HydrophobicContact CG1-CG2 4.23Å; T409-V413 HydrophobicContact CG2-CG2 4.5Å; T409-V413 WeakPolarHBondContact O-CB 3.34Å; T409-V413 WeakPolarHBondContact O-CG2 3.47Å; T409-V413 PolarHBondContact O-N 3.18Å; V413-C415 PolarHBondContact O-N 2.86Å; V413-C415 VanDerWaalsContact O-N 3.13Å; V413-H416 WeakPolarHBondContact CA-NE2 3.47Å; V413-H416 PolarHBondContact O-CD2 3.29Å; V413-H416 PolarHBondContact O-N 3Å; V413-H416 VanDerWaalsContact O-N 3.14Å; V413-E417 VanDerWaalsContact O-CB 3.22Å; V413-E417 WeakPolarHBondContact O-CB 3.15Å; V413-E417 PolarHBondContact O-N 3.17Å
414L88.6Confident84.2Confident36 Ų3629.7 Ų29.719%0.18815%0.153CC..Hα-helixtrans-53.6-37.6177.5178.468.8000112.9L62 V63 S66 S410 I411 L418L62-L414 HydrophobicContact CD2-CD1 3.66Å; L62-L414 HydrophobicContact CD2-CD2 3.48Å; L62-L414 VanDerWaalsContact CD2-CD2 3.48Å; L62-L414 HydrophobicContact CD2-CG 4.15Å; V63-L414 HydrophobicContact CG2-CB 4.36Å; S66-L414 VanDerWaalsContact CB-CD1 3.44Å; S66-L414 WeakPolarHBondContact OG-CD1 3.4Å; S410-L414 WeakPolarHBondContact O-CB 3.24Å; S410-L414 PolarHBondContact O-N 3.23Å; S410-L414 VanDerWaalsContact O-N 3.11Å; I411-L414 PolarHBondContact O-N 2.86Å; L414-L418 HydrophobicContact CD1-CD1 4.46Å; L414-L418 HydrophobicContact CD1-CG 4.5Å; L414-L418 WeakPolarHBondContact O-CG 3.43Å; L414-L418 PolarHBondContact O-N 3.04Å
415C84.6Confident84.1Confident54 Ų5422.5 Ų22.537%0.36513%0.126SC..Hα-helixtrans-74.6-31.4-178.3-76.10000113.9I411 A412 V413 P419 I524I411-C415 WeakPolarHBondContact O-CB 3.29Å; I411-C415 PolarHBondContact O-N 2.79Å; I411-C415 PolarHBondContact O-SG 2.86Å; I411-C415 VanDerWaalsContact O-SG 3.33Å; A412-C415 PolarHBondContact O-N 3.33Å; A412-C415 VanDerWaalsContact O-N 3.14Å; V413-C415 PolarHBondContact O-N 2.86Å; V413-C415 VanDerWaalsContact O-N 3.13Å; C415-P419 WeakPolarHBondContact O-CD 3.41Å; C415-I524 HydrophobicContact CB-CD1 3.72Å; C415-I524 HydrophobicContact CB-CG1 4.29Å
416H84.1Confident84.2Confident5 Ų522.3 Ų22.32%0.02312%0.124CC..Hα-helixtrans-85.4-29.317365.3-151.5000113.4D100 H387 D391 A412 V413 P419 H420 M521 I524D100-H416 IonicContact OD1-CE1 2.72Å; D100-H416 PolarHBondContact OD1-CE1 2.88Å; D100-H416 IonicContact OD1-ND1 3.6Å; D100-H416 PolarHBondContact OD1-ND1 2.97Å; H387-H416 AromaticContact NE2-CD2 3.83Å; H387-H416 AromaticContact NE2-NE2 3.78Å; D391-H416 IonicContact OD1-NE2 2.94Å; A412-H416 PolarHBondContact O-N 3.47Å; A412-H416 VanDerWaalsContact O-N 3.14Å; V413-H416 WeakPolarHBondContact CA-NE2 3.47Å; V413-H416 PolarHBondContact O-CD2 3.29Å; V413-H416 PolarHBondContact O-N 3Å; V413-H416 VanDerWaalsContact O-N 3.14Å; H416-P419 WeakPolarHBondContact O-CB 3.43Å; H416-P419 WeakPolarHBondContact O-CD 3.47Å; H416-H420 PolarHBondContact O-CD2 3.46Å; H416-H420 VanDerWaalsContact O-CD2 3.31Å; H416-H420 PolarHBondContact O-N 3.42Å; H416-M521 HydrophobicContact CB-CE 3.66Å; H416-M521 HydrophobicContact CB-SD 3.43Å; H416-M521 WeakPolarHBondContact CB-SD 3.46Å; H416-I524 HydrophobicContact CB-CD1 4.36Å
417E84.6Confident83.8Confident4 Ų422.6 Ų22.62%0.01913%0.126CC..Hα-helixtrans-79.2-31.6-171.9-175.964.9156.500112.3V63 H387 N388 V413 H420 E421V63-E417 HydrophobicContact CG1-CB 4.47Å; V63-E417 HydrophobicContact CG1-CG 4.1Å; H387-E417 IonicContact CD2-OE1 3.79Å; H387-E417 IonicContact CD2-OE2 2.87Å; H387-E417 PolarHBondContact CD2-OE2 3.46Å; H387-E417 VanDerWaalsContact CD2-OE2 3.28Å; H387-E417 IonicContact NE2-OE2 2.94Å; H387-E417 PolarHBondContact NE2-OE2 3.07Å; N388-E417 PolarHBondContact ND2-OE1 3.47Å; V413-E417 VanDerWaalsContact O-CB 3.22Å; V413-E417 WeakPolarHBondContact O-CB 3.15Å; V413-E417 PolarHBondContact O-N 3.17Å; E417-H420 PolarHBondContact O-N 2.9Å; E417-H420 VanDerWaalsContact O-N 3.07Å; E417-H420 VanDerWaalsContact OE2-CB 3.31Å; E417-H420 WeakPolarHBondContact OE2-CB 3.43Å; E417-H420 IonicContact OE2-CE1 3.78Å; E417-H420 PolarHBondContact OE2-CE1 3.32Å; E417-H420 IonicContact OE2-CG 2.68Å; E417-H420 IonicContact OE2-ND1 3.27Å; E417-E421 HydrophobicContact CG-CG 3.97Å; E417-E421 WeakPolarHBondContact O-CB 3.2Å; E417-E421 WeakPolarHBondContact O-CG 3.35Å; E417-E421 PolarHBondContact O-N 3.11Å
418L82.9Confident83.4Confident63 Ų6318.8 Ų18.833%0.3311%0.106SC..Hα-helixtrans-53.6-48.5170-82.4172.6000112.5V70 L414 L422V70-L418 HydrophobicContact CG2-CD2 3.57Å; L414-L418 HydrophobicContact CD1-CD1 4.46Å; L414-L418 HydrophobicContact CD1-CG 4.5Å; L414-L418 WeakPolarHBondContact O-CG 3.43Å; L414-L418 PolarHBondContact O-N 3.04Å; L418-L422 WeakPolarHBondContact O-CB 3.39Å; L418-L422 PolarHBondContact O-N 3.38Å
419P78.6Confident83.2Confident8 Ų819.9 Ų19.95%0.05211%0.111CC..Hα-helixtrans-55.2-45166-32.935.2000116.8L92 S96 C415 H416 G423 I520L92-P419 HydrophobicContact CD2-CB 4.09Å; L92-P419 HydrophobicContact CD2-CG 4.26Å; L92-P419 HydrophobicContact CG-CB 4.07Å; L92-P419 HydrophobicContact CG-CG 4.45Å; S96-P419 WeakPolarHBondContact OG-CB 3.48Å; C415-P419 WeakPolarHBondContact O-CD 3.41Å; H416-P419 WeakPolarHBondContact O-CB 3.43Å; H416-P419 WeakPolarHBondContact O-CD 3.47Å; P419-G423 PolarHBondContact O-N 3.15Å; P419-G423 VanDerWaalsContact O-N 3.16Å; P419-I520 HydrophobicContact CG-CD1 4.26Å
420H82.3Confident82.7Confident3 Ų323.3 Ų23.31%0.01413%0.126CC..Hα-helixtrans-68-56.9-172.8-67.3177.4000111.4S96 H387 H416 E417 L422 G423 D424S96-H420 PolarHBondContact OG-CD2 3.49Å; H387-H420 AromaticContact CD2-CE1 2.87Å; H387-H420 PolarHBondContact CD2-CE1 3.45Å; H387-H420 AromaticContact CD2-ND1 3.86Å; H387-H420 AromaticContact CE1-CE1 2.52Å; H387-H420 PolarHBondContact CE1-CE1 2.88Å; H387-H420 AromaticContact CE1-ND1 3.15Å; H387-H420 PolarHBondContact CE1-ND1 3.45Å; H387-H420 AromaticContact CE1-NE2 2.83Å; H387-H420 PolarHBondContact CE1-NE2 3.38Å; H387-H420 AromaticContact CG-CE1 3.44Å; H387-H420 VanDerWaalsContact CG-CE1 3.44Å; H387-H420 AromaticContact ND1-CE1 3.18Å; H387-H420 PolarHBondContact ND1-CE1 2.96Å; H387-H420 AromaticContact ND1-ND1 3.82Å; H387-H420 AromaticContact ND1-NE2 3.78Å; H387-H420 AromaticContact NE2-CE1 2.16Å; H387-H420 PolarHBondContact NE2-CE1 3.13Å; H387-H420 AromaticContact NE2-ND1 3.06Å; H387-H420 PolarHBondContact NE2-ND1 2.92Å; H387-H420 AromaticContact NE2-NE2 3.37Å; H387-H420 PolarHBondContact NE2-NE2 3.49Å; H416-H420 PolarHBondContact O-CD2 3.46Å; H416-H420 VanDerWaalsContact O-CD2 3.31Å; H416-H420 PolarHBondContact O-N 3.42Å; E417-H420 PolarHBondContact O-N 2.9Å; E417-H420 VanDerWaalsContact O-N 3.07Å; E417-H420 VanDerWaalsContact OE2-CB 3.31Å; E417-H420 WeakPolarHBondContact OE2-CB 3.43Å; E417-H420 IonicContact OE2-CE1 3.78Å; E417-H420 PolarHBondContact OE2-CE1 3.32Å; E417-H420 IonicContact OE2-CG 2.68Å; E417-H420 IonicContact OE2-ND1 3.27Å; H420-L422 PolarHBondContact O-N 2.85Å; H420-L422 VanDerWaalsContact O-N 3.13Å; H420-G423 WeakPolarHBondContact O-CA 3.43Å; H420-G423 PolarHBondContact O-N 2.69Å; H420-D424 PolarHBondContact O-N 3.3Å
421E84.4Confident82Confident10 Ų1023.2 Ų23.25%0.04713%0.125CC..Hα-helixtrans-51.2-38.8176.2-75.3-89.9-131.100112.7G67 V70 E417 F425 N442G67-E421 WeakPolarHBondContact CA-OE1 3.39Å; V70-E421 HydrophobicContact CG1-CB 4.42Å; E417-E421 HydrophobicContact CG-CG 3.97Å; E417-E421 WeakPolarHBondContact O-CB 3.2Å; E417-E421 WeakPolarHBondContact O-CG 3.35Å; E417-E421 PolarHBondContact O-N 3.11Å; E421-F425 WeakPolarHBondContact O-CB 3.43Å; E421-F425 PolarHBondContact O-N 3.27Å; E421-N442 PolarHBondContact OE1-ND2 3.5Å; E421-N442 PolarHBondContact OE2-ND2 3.2Å
422L80.5Confident81.4Confident34 Ų3421.8 Ų21.818%0.17813%0.133CC..Hα-helixtrans-70.7-33.1-179.8-175.963.6000112.4V70 V74 L89 L92 L418 H420 A426V70-L422 HydrophobicContact CG1-CB 3.68Å; V70-L422 HydrophobicContact CG1-CD1 3.63Å; V70-L422 HydrophobicContact CG1-CG 4.23Å; V74-L422 HydrophobicContact CG2-CD1 3.96Å; L89-L422 HydrophobicContact CB-CG 4.13Å; L89-L422 HydrophobicContact CD1-CD1 3.4Å; L89-L422 VanDerWaalsContact CD1-CD1 3.4Å; L89-L422 HydrophobicContact CD1-CD2 4.49Å; L89-L422 HydrophobicContact CD1-CG 3.61Å; L89-L422 HydrophobicContact CD2-CD1 3.89Å; L89-L422 HydrophobicContact CD2-CD2 3.41Å; L89-L422 VanDerWaalsContact CD2-CD2 3.41Å; L89-L422 HydrophobicContact CD2-CG 3.45Å; L89-L422 VanDerWaalsContact CD2-CG 3.45Å; L89-L422 HydrophobicContact CG-CD1 4.13Å; L89-L422 HydrophobicContact CG-CD2 4.35Å; L89-L422 HydrophobicContact CG-CG 3.84Å; L92-L422 HydrophobicContact CD2-CD2 4.4Å; L418-L422 WeakPolarHBondContact O-CB 3.39Å; L418-L422 PolarHBondContact O-N 3.38Å; H420-L422 PolarHBondContact O-N 2.85Å; H420-L422 VanDerWaalsContact O-N 3.13Å; L422-A426 WeakPolarHBondContact O-CB 3.35Å
423G80Confident81.3Confident0 Ų022.7 Ų22.70%014%0.136CC..Hα-helixtrans-75.8-50.5170.700000112.4P419 H420 F425 A426 V427P419-G423 PolarHBondContact O-N 3.15Å; P419-G423 VanDerWaalsContact O-N 3.16Å; H420-G423 WeakPolarHBondContact O-CA 3.43Å; H420-G423 PolarHBondContact O-N 2.69Å; G423-F425 PolarHBondContact O-N 2.67Å; G423-A426 WeakPolarHBondContact O-CA 3.37Å; G423-A426 VanDerWaalsContact O-CB 3.3Å; G423-A426 WeakPolarHBondContact O-CB 3.43Å; G423-A426 PolarHBondContact O-N 3.07Å; G423-V427 PolarHBondContact O-N 2.85Å
424D81.6Confident81.2Confident11 Ų1125.3 Ų25.36%0.05915%0.154CC..Hα-helixtrans-59.4-49-178.2-81.8-14.1000111.8I380 H420 A426 V427 L428 M485I380-D424 HydrophobicContact CG2-CB 3.81Å; I380-D424 WeakPolarHBondContact CG2-OD1 3.26Å; H420-D424 PolarHBondContact O-N 3.3Å; D424-A426 PolarHBondContact O-N 3.42Å; D424-V427 PolarHBondContact O-N 3.01Å; D424-V427 VanDerWaalsContact O-N 3.11Å; D424-L428 VanDerWaalsContact O-CG 3.32Å; D424-L428 WeakPolarHBondContact O-CG 3.41Å; D424-L428 PolarHBondContact O-N 3.16Å; D424-M485 WeakPolarHBondContact OD1-CE 3.05Å
425F83.2Confident81Confident4 Ų426.2 Ų26.22%0.01816%0.161CC..Hα-helixtrans-58.4-35.7175.7-176.9-107.3000112.5V71 V74 P75 E421 G423 L428 L429 V435 A438V71-F425 HydrophobicContact CB-CD2 4.24Å; V71-F425 HydrophobicContact CB-CE2 4.39Å; V71-F425 HydrophobicContact CB-CG 4.38Å; V71-F425 HydrophobicContact CG1-CD2 3.65Å; V71-F425 HydrophobicContact CG1-CE1 4.28Å; V71-F425 HydrophobicContact CG1-CE2 3.4Å; V71-F425 HydrophobicContact CG1-CG 4.21Å; V71-F425 HydrophobicContact CG1-CZ 3.73Å; V71-F425 HydrophobicContact CG2-CB 4.03Å; V71-F425 HydrophobicContact CG2-CD1 4.49Å; V71-F425 HydrophobicContact CG2-CD2 3.79Å; V71-F425 HydrophobicContact CG2-CE2 4.41Å; V71-F425 HydrophobicContact CG2-CG 3.84Å; V74-F425 HydrophobicContact CB-CD1 3.85Å; V74-F425 HydrophobicContact CB-CE1 3.7Å; V74-F425 HydrophobicContact CG1-CD1 3.86Å; V74-F425 HydrophobicContact CG1-CE1 3.68Å; V74-F425 HydrophobicContact CG2-CD1 4.26Å; P75-F425 HydrophobicContact CG-CE1 4.1Å; P75-F425 HydrophobicContact CG-CZ 4.02Å; E421-F425 WeakPolarHBondContact O-CB 3.43Å; E421-F425 PolarHBondContact O-N 3.27Å; G423-F425 PolarHBondContact O-N 2.67Å; F425-L428 PolarHBondContact O-N 2.64Å; F425-L429 HydrophobicContact CD1-CD1 4.06Å; F425-L429 HydrophobicContact CD1-CG 4.28Å; F425-L429 HydrophobicContact CD2-CG 4.5Å; F425-L429 HydrophobicContact CE1-CD1 3.27Å; F425-L429 HydrophobicContact CE1-CD2 4.42Å; F425-L429 HydrophobicContact CE1-CG 3.74Å; F425-L429 HydrophobicContact CE2-CD1 4.34Å; F425-L429 HydrophobicContact CE2-CD2 4.03Å; F425-L429 HydrophobicContact CE2-CG 3.97Å; F425-L429 HydrophobicContact CZ-CD1 3.45Å; F425-L429 VanDerWaalsContact CZ-CD1 3.45Å; F425-L429 HydrophobicContact CZ-CD2 3.78Å; F425-L429 HydrophobicContact CZ-CG 3.58Å; F425-L429 WeakPolarHBondContact O-CG 3.46Å; F425-L429 PolarHBondContact O-N 2.67Å; F425-V435 HydrophobicContact CZ-CG1 4.23Å; F425-V435 HydrophobicContact CZ-CG2 4.37Å; F425-A438 HydrophobicContact CD2-CB 3.74Å; F425-A438 HydrophobicContact CE2-CB 3.6Å
426A78.7Confident81.1Confident0 Ų032 Ų320%018%0.18CC..Hα-helixtrans-67.2-41.2177.600000111.8T86 I90 L422 G423 D424 H430T86-A426 HydrophobicContact CG2-CB 3.81Å; I90-A426 HydrophobicContact CG1-CB 4.24Å; L422-A426 WeakPolarHBondContact O-CB 3.35Å; G423-A426 WeakPolarHBondContact O-CA 3.37Å; G423-A426 VanDerWaalsContact O-CB 3.3Å; G423-A426 WeakPolarHBondContact O-CB 3.43Å; G423-A426 PolarHBondContact O-N 3.07Å; D424-A426 PolarHBondContact O-N 3.42Å; A426-H430 WeakPolarHBondContact O-CB 3.39Å; A426-H430 PolarHBondContact O-N 3.32Å
427V78Confident81.2Confident6 Ų634.1 Ų34.14%0.03620%0.195CC..Hα-helixtrans-68.5-41.4173.8-174.20000111.4I90 I376 I380 G423 D424 L429 H430 A431 E488I90-V427 HydrophobicContact CD1-CG2 3.8Å; I90-V427 HydrophobicContact CG1-CG2 3.78Å; I90-V427 HydrophobicContact CG2-CG2 4.46Å; I376-V427 HydrophobicContact CG2-CG1 4.39Å; I380-V427 HydrophobicContact CD1-CB 3.79Å; I380-V427 HydrophobicContact CD1-CG1 3.45Å; I380-V427 VanDerWaalsContact CD1-CG1 3.45Å; I380-V427 HydrophobicContact CD1-CG2 4.28Å; G423-V427 PolarHBondContact O-N 2.85Å; D424-V427 PolarHBondContact O-N 3.01Å; D424-V427 VanDerWaalsContact O-N 3.11Å; V427-L429 PolarHBondContact O-N 3.47Å; V427-H430 CarbonylContact O-C 3.54Å; V427-H430 PolarHBondContact O-N 2.99Å; V427-H430 VanDerWaalsContact O-N 3.16Å; V427-A431 WeakPolarHBondContact O-CB 3.44Å; V427-A431 PolarHBondContact O-N 2.67Å; V427-E488 HydrophobicContact CG2-CG 4.37Å
428L82.6Confident81.2Confident9 Ų934 Ų345%0.04720%0.195CC..Hα-helixtrans-61.2-43.8178.2-68.8-179.7000112.2A377 I380 I381 D424 F425 A431 M433 A438A377-L428 HydrophobicContact CB-CD2 3.68Å; A377-L428 WeakPolarHBondContact O-CD2 3.24Å; I380-L428 HydrophobicContact CG2-CD2 4.5Å; I381-L428 HydrophobicContact CD1-CD1 4.31Å; I381-L428 HydrophobicContact CD1-CD2 3.82Å; I381-L428 HydrophobicContact CG1-CD1 4.05Å; I381-L428 HydrophobicContact CG1-CD2 3.94Å; D424-L428 VanDerWaalsContact O-CG 3.32Å; D424-L428 WeakPolarHBondContact O-CG 3.41Å; D424-L428 PolarHBondContact O-N 3.16Å; F425-L428 PolarHBondContact O-N 2.64Å; L428-A431 PolarHBondContact O-N 3.04Å; L428-M433 HydrophobicContact CB-CB 4.38Å; L428-M433 HydrophobicContact CD1-SD 4.48Å; L428-M433 HydrophobicContact CD2-CE 4.11Å; L428-M433 HydrophobicContact CD2-SD 4.33Å; L428-M433 WeakPolarHBondContact O-CB 3.49Å; L428-M433 PolarHBondContact O-N 3.46Å; L428-A438 HydrophobicContact CB-CB 4.29Å; L428-A438 HydrophobicContact CD1-CB 4.08Å
429L79.5Confident81.3Confident31 Ų3133.9 Ų33.916%0.16219%0.194CC..Hα-helixtrans-65-41.3173.1-73.2-168.5000112.1V74 Y82 F425 V427 A431 G432 V435V74-L429 HydrophobicContact CG1-CD1 4.18Å; Y82-L429 HydrophobicContact CE2-CD1 4.21Å; Y82-L429 WeakPolarHBondContact OH-CB 3.5Å; Y82-L429 WeakPolarHBondContact OH-CD1 3.29Å; F425-L429 HydrophobicContact CD1-CD1 4.06Å; F425-L429 HydrophobicContact CD1-CG 4.28Å; F425-L429 HydrophobicContact CD2-CG 4.5Å; F425-L429 HydrophobicContact CE1-CD1 3.27Å; F425-L429 HydrophobicContact CE1-CD2 4.42Å; F425-L429 HydrophobicContact CE1-CG 3.74Å; F425-L429 HydrophobicContact CE2-CD1 4.34Å; F425-L429 HydrophobicContact CE2-CD2 4.03Å; F425-L429 HydrophobicContact CE2-CG 3.97Å; F425-L429 HydrophobicContact CZ-CD1 3.45Å; F425-L429 VanDerWaalsContact CZ-CD1 3.45Å; F425-L429 HydrophobicContact CZ-CD2 3.78Å; F425-L429 HydrophobicContact CZ-CG 3.58Å; F425-L429 WeakPolarHBondContact O-CG 3.46Å; F425-L429 PolarHBondContact O-N 2.67Å; V427-L429 PolarHBondContact O-N 3.47Å; L429-A431 PolarHBondContact O-N 2.97Å; L429-G432 PolarHBondContact O-N 3Å; L429-V435 HydrophobicContact CD2-CG2 3.75Å
430H72.9Confident81.8Confident94 Ų9439.3 Ų39.344%0.43522%0.217SC..Hα-helixtrans-62.6-34.6176-168.2-124.6000112A426 V427 G432 E488 N492A426-H430 WeakPolarHBondContact O-CB 3.39Å; A426-H430 PolarHBondContact O-N 3.32Å; V427-H430 CarbonylContact O-C 3.54Å; V427-H430 PolarHBondContact O-N 2.99Å; V427-H430 VanDerWaalsContact O-N 3.16Å; H430-G432 PolarHBondContact O-N 3.41Å; H430-G432 VanDerWaalsContact O-N 3.07Å; H430-E488 IonicContact CE1-OE1 3.75Å; H430-E488 PolarHBondContact CE1-OE1 3.07Å; H430-E488 VanDerWaalsContact CE1-OE1 3.27Å; H430-E488 IonicContact CG-OE1 2.98Å; H430-E488 IonicContact ND1-OE1 3.43Å; H430-E488 PolarHBondContact ND1-OE1 3.35Å; H430-N492 PolarHBondContact CE1-OD1 3.45Å
431A76.2Confident82.1Confident8 Ų841.8 Ų41.87%0.06623%0.227CC..THydrogen-bonded Turntrans-69.81.3173.300000114.8V373 A377 V427 L428 L429 M433V373-A431 HydrophobicContact CG1-CB 3.53Å; A377-A431 HydrophobicContact CB-CB 3.85Å; V427-A431 WeakPolarHBondContact O-CB 3.44Å; V427-A431 PolarHBondContact O-N 2.67Å; L428-A431 PolarHBondContact O-N 3.04Å; L429-A431 PolarHBondContact O-N 2.97Å; A431-M433 VanDerWaalsContact C-N 3.34Å
432G76.2Confident82Confident61 Ų6141.6 Ų41.663%0.62923%0.226SC*.THydrogen-bonded Turntrans76.220.518000000113.6L429 H430L429-G432 PolarHBondContact O-N 3Å; H430-G432 PolarHBondContact O-N 3.41Å; H430-G432 VanDerWaalsContact O-N 3.07Å
433M80.2Confident82.4Confident31 Ų3144.1 Ų44.115%0.15324%0.239CC..  trans-70.6140.9169.6-168.5165.6-63.400109.9A377 I381 L428 A431 A438 Y441A377-M433 HydrophobicContact CB-CE 4.39Å; I381-M433 HydrophobicContact CD1-CE 3.66Å; I381-M433 HydrophobicContact CD1-SD 4.12Å; L428-M433 HydrophobicContact CB-CB 4.38Å; L428-M433 HydrophobicContact CD1-SD 4.48Å; L428-M433 HydrophobicContact CD2-CE 4.11Å; L428-M433 HydrophobicContact CD2-SD 4.33Å; L428-M433 WeakPolarHBondContact O-CB 3.49Å; L428-M433 PolarHBondContact O-N 3.46Å; A431-M433 VanDerWaalsContact C-N 3.34Å; M433-A438 HydrophobicContact CG-CB 4.36Å; M433-A438 HydrophobicContact SD-CB 4.14Å; M433-Y441 HydrophobicContact CE-CD2 4.23Å; M433-Y441 HydrophobicContact CE-CE2 4.1Å; M433-Y441 HydrophobicContact SD-CD2 3.72Å; M433-Y441 HydrophobicContact SD-CE2 4.02Å
434S84.7Confident82.8Confident60 Ų6047.8 Ų47.842%0.4226%0.259SS..  trans-71.3144.4174.488.60000110.3K436 S437 A438S434-K436 PolarHBondContact O-N 2.8Å; S434-K436 VanDerWaalsContact O-N 3.1Å; S434-S437 WeakPolarHBondContact O-CA 3.43Å; S434-S437 WeakPolarHBondContact O-CB 3.22Å; S434-S437 PolarHBondContact O-N 3.45Å; S434-S437 PolarHBondContact OG-N 3.05Å; S434-S437 PolarHBondContact OG-OG 3.15Å; S434-A438 PolarHBondContact O-N 2.93Å
435V84.5Confident83.2Confident54 Ų5447.4 Ų47.433%0.32726%0.257SS..Hα-helixtrans-48.9-40.4175.6176.50000111.6P75 F425 L429 S437 A438 L439P75-V435 HydrophobicContact CB-CG2 4.44Å; P75-V435 HydrophobicContact CG-CG1 4.02Å; P75-V435 HydrophobicContact CG-CG2 4Å; F425-V435 HydrophobicContact CZ-CG1 4.23Å; F425-V435 HydrophobicContact CZ-CG2 4.37Å; L429-V435 HydrophobicContact CD2-CG2 3.75Å; V435-S437 VanDerWaalsContact C-N 3.35Å; V435-S437 PolarHBondContact O-N 3Å; V435-A438 PolarHBondContact O-N 3.49Å; V435-L439 HydrophobicContact CG1-CD1 4.03Å; V435-L439 WeakPolarHBondContact O-CB 3.38Å; V435-L439 WeakPolarHBondContact O-CG 3.34Å; V435-L439 PolarHBondContact O-N 3.01Å
436K86.8Confident83.5Confident177 Ų17748.1 Ų48.177%0.7726%0.262SS*.Hα-helixtrans-65.2-35.1177.4-62.7-175.8179.3-1760113.3S434 F440S434-K436 PolarHBondContact O-N 2.8Å; S434-K436 VanDerWaalsContact O-N 3.1Å; K436-F440 WeakPolarHBondContact O-CB 3.44Å; K436-F440 PolarHBondContact O-N 2.84Å
437S87.2Confident84.1Confident48 Ų4852.8 Ų52.834%0.33629%0.286SS..Hα-helixtrans-74.8-42.3178.3-56.30000111S434 V435 F440 Y441S434-S437 WeakPolarHBondContact O-CA 3.43Å; S434-S437 WeakPolarHBondContact O-CB 3.22Å; S434-S437 PolarHBondContact O-N 3.45Å; S434-S437 PolarHBondContact OG-N 3.05Å; S434-S437 PolarHBondContact OG-OG 3.15Å; V435-S437 VanDerWaalsContact C-N 3.35Å; V435-S437 PolarHBondContact O-N 3Å; S437-F440 WeakPolarHBondContact O-CB 3.3Å; S437-F440 PolarHBondContact O-N 2.92Å; S437-Y441 WeakPolarHBondContact O-CD2 3.33Å; S437-Y441 PolarHBondContact O-N 3.01Å
438A83.9Confident84.9Confident2 Ų255.9 Ų55.92%0.01730%0.302CS..Hα-helixtrans-64.4-45.2175.900000111.6F425 L428 M433 S434 V435 F440 Y441 N442F425-A438 HydrophobicContact CD2-CB 3.74Å; F425-A438 HydrophobicContact CE2-CB 3.6Å; L428-A438 HydrophobicContact CB-CB 4.29Å; L428-A438 HydrophobicContact CD1-CB 4.08Å; M433-A438 HydrophobicContact CG-CB 4.36Å; M433-A438 HydrophobicContact SD-CB 4.14Å; S434-A438 PolarHBondContact O-N 2.93Å; V435-A438 PolarHBondContact O-N 3.49Å; A438-F440 PolarHBondContact O-N 3Å; A438-Y441 PolarHBondContact O-N 3.37Å; A438-Y441 VanDerWaalsContact O-N 3.09Å; A438-N442 PolarHBondContact O-N 3.28Å
439L85Confident85.4Confident60 Ų6055.4 Ų55.431%0.31430%0.3SS..Hα-helixtrans-54.4-38.1170-83.7167.8000113.4L68 V71 V435 L443L68-L439 HydrophobicContact CD2-CD2 3.69Å; V71-L439 HydrophobicContact CB-CD2 4.05Å; V71-L439 HydrophobicContact CG1-CD1 4.47Å; V71-L439 HydrophobicContact CG1-CD2 3.32Å; V71-L439 HydrophobicContact CG1-CG 3.55Å; V435-L439 HydrophobicContact CG1-CD1 4.03Å; V435-L439 WeakPolarHBondContact O-CB 3.38Å; V435-L439 WeakPolarHBondContact O-CG 3.34Å; V435-L439 PolarHBondContact O-N 3.01Å; L439-L443 WeakPolarHBondContact O-CB 3.32Å; L439-L443 PolarHBondContact O-N 2.93Å
440F89.4Confident86.1Confident123 Ų12355.5 Ų55.554%0.53931%0.305SS..Hα-helixtrans-70-35.6178.1174.4-93.2000112.5K436 S437 A438 L444K436-F440 WeakPolarHBondContact O-CB 3.44Å; K436-F440 PolarHBondContact O-N 2.84Å; S437-F440 WeakPolarHBondContact O-CB 3.3Å; S437-F440 PolarHBondContact O-N 2.92Å; A438-F440 PolarHBondContact O-N 3Å; F440-L444 PolarHBondContact O-N 2.97Å
441Y87.9Confident87.2Confident54 Ų5452.9 Ų52.921%0.21230%0.299CS..Hα-helixtrans-75-40.5177.5-74.2-62.5000112.5I381 M433 S437 A438 L443 L444 S445I381-Y441 HydrophobicContact CD1-CD1 4.2Å; I381-Y441 HydrophobicContact CD1-CD2 3.46Å; I381-Y441 VanDerWaalsContact CD1-CD2 3.46Å; I381-Y441 HydrophobicContact CD1-CE2 3.95Å; I381-Y441 HydrophobicContact CD1-CG 3.61Å; I381-Y441 HydrophobicContact CG1-CD2 4.41Å; I381-Y441 HydrophobicContact CG1-CG 4.12Å; I381-Y441 HydrophobicContact CG2-CD1 3.64Å; I381-Y441 HydrophobicContact CG2-CE1 4.33Å; I381-Y441 HydrophobicContact CG2-CG 3.91Å; M433-Y441 HydrophobicContact CE-CD2 4.23Å; M433-Y441 HydrophobicContact CE-CE2 4.1Å; M433-Y441 HydrophobicContact SD-CD2 3.72Å; M433-Y441 HydrophobicContact SD-CE2 4.02Å; S437-Y441 WeakPolarHBondContact O-CD2 3.33Å; S437-Y441 PolarHBondContact O-N 3.01Å; A438-Y441 PolarHBondContact O-N 3.37Å; A438-Y441 VanDerWaalsContact O-N 3.09Å; Y441-L443 VanDerWaalsContact C-N 3.34Å; Y441-L443 PolarHBondContact O-N 3.39Å; Y441-L444 HydrophobicContact CD1-CD2 4.43Å; Y441-L444 CarbonylContact O-C 3.51Å; Y441-L444 WeakPolarHBondContact O-CA 3.3Å; Y441-L444 WeakPolarHBondContact O-CB 3.42Å; Y441-L444 PolarHBondContact O-N 2.94Å; Y441-S445 PolarHBondContact O-N 3.28Å
442N83.3Confident87.9Confident7 Ų752.5 Ų52.54%0.03730%0.296CS..Hα-helixtrans-56.7-45.9168.3165.6-63.5000111.3L68 E421 A438 L444 S445 S446L68-N442 WeakPolarHBondContact CD2-OD1 3.46Å; E421-N442 PolarHBondContact OE1-ND2 3.5Å; E421-N442 PolarHBondContact OE2-ND2 3.2Å; A438-N442 PolarHBondContact O-N 3.28Å; N442-L444 VanDerWaalsContact C-N 3.26Å; N442-L444 PolarHBondContact O-N 3.33Å; N442-S445 WeakPolarHBondContact O-CA 3.17Å; N442-S445 WeakPolarHBondContact O-CB 3.49Å; N442-S445 PolarHBondContact O-N 3.11Å; N442-S446 PolarHBondContact O-N 2.99Å
443L87.3Confident88.8Confident86 Ų8649.8 Ų49.845%0.4527%0.267SS..Hα-helixtrans-60.6-35.7174.2-178.167.2000112.2L439 Y441 S445 S446 I447L439-L443 WeakPolarHBondContact O-CB 3.32Å; L439-L443 PolarHBondContact O-N 2.93Å; Y441-L443 VanDerWaalsContact C-N 3.34Å; Y441-L443 PolarHBondContact O-N 3.39Å; L443-S445 VanDerWaalsContact C-N 3.33Å; L443-S446 PolarHBondContact O-N 3.3Å; L443-S446 PolarHBondContact O-OG 3.25Å; L443-I447 WeakPolarHBondContact O-CG1 3.35Å; L443-I447 PolarHBondContact O-N 3.14Å
444L90.4Very high89.4Confident77 Ų7752 Ų5240%0.40328%0.279SS..Hα-helixtrans-67.5-34.9173.8-174.662.3000111.9F440 Y441 N442 I447 L448F440-L444 PolarHBondContact O-N 2.97Å; Y441-L444 HydrophobicContact CD1-CD2 4.43Å; Y441-L444 CarbonylContact O-C 3.51Å; Y441-L444 WeakPolarHBondContact O-CA 3.3Å; Y441-L444 WeakPolarHBondContact O-CB 3.42Å; Y441-L444 PolarHBondContact O-N 2.94Å; N442-L444 VanDerWaalsContact C-N 3.26Å; N442-L444 PolarHBondContact O-N 3.33Å; L444-I447 HydrophobicContact CD1-CD1 4.47Å; L444-I447 WeakPolarHBondContact O-CB 3.39Å; L444-I447 PolarHBondContact O-N 3.01Å; L444-L448 PolarHBondContact O-N 3.05Å
445S89.3Confident89.7Confident3 Ų352.5 Ų52.52%0.02128%0.276CS..Hα-helixtrans-62-45.3172.9-156.10000112D384 G385 N388 Y441 N442 L443 I447 L448 C449D384-S445 PolarHBondContact O-OG 3.07Å; D384-S445 VanDerWaalsContact OD1-CB 3.25Å; D384-S445 WeakPolarHBondContact OD1-CB 3.27Å; D384-S445 PolarHBondContact OD1-OG 3.27Å; D384-S445 WeakPolarHBondContact OD2-CB 2.85Å; D384-S445 PolarHBondContact OD2-OG 2.97Å; G385-S445 VanDerWaalsContact CA-OG 3.3Å; G385-S445 WeakPolarHBondContact CA-OG 3.41Å; G385-S445 PolarHBondContact N-OG 2.89Å; N388-S445 WeakPolarHBondContact CB-OG 3.42Å; N388-S445 PolarHBondContact ND2-OG 3.04Å; Y441-S445 PolarHBondContact O-N 3.28Å; N442-S445 WeakPolarHBondContact O-CA 3.17Å; N442-S445 WeakPolarHBondContact O-CB 3.49Å; N442-S445 PolarHBondContact O-N 3.11Å; L443-S445 VanDerWaalsContact C-N 3.33Å; S445-I447 PolarHBondContact O-N 3.06Å; S445-I447 VanDerWaalsContact O-N 3.13Å; S445-L448 WeakPolarHBondContact O-CA 3.24Å; S445-L448 WeakPolarHBondContact O-CB 3.38Å; S445-L448 PolarHBondContact O-N 3.45Å; S445-C449 PolarHBondContact O-N 3.21Å
446S88.9Confident89.8Confident19 Ų1950 Ų5013%0.13326%0.261CS..Hα-helixtrans-58.6-29.8175.875.40000114.3S64 N442 L443 C449 A450S64-S446 WeakPolarHBondContact OG-CB 3.3Å; N442-S446 PolarHBondContact O-N 2.99Å; L443-S446 PolarHBondContact O-N 3.3Å; L443-S446 PolarHBondContact O-OG 3.25Å; S446-C449 PolarHBondContact O-N 2.99Å; S446-A450 PolarHBondContact O-N 3.11Å
447I92.4Very high90Very high99 Ų9941.7 Ų41.751%0.50823%0.225SC..Hα-helixtrans-70.8-35.4175-64.9168.5000110.5L443 L444 S445 A451L443-I447 WeakPolarHBondContact O-CG1 3.35Å; L443-I447 PolarHBondContact O-N 3.14Å; L444-I447 HydrophobicContact CD1-CD1 4.47Å; L444-I447 WeakPolarHBondContact O-CB 3.39Å; L444-I447 PolarHBondContact O-N 3.01Å; S445-I447 PolarHBondContact O-N 3.06Å; S445-I447 VanDerWaalsContact O-N 3.13Å; I447-A451 WeakPolarHBondContact O-CB 3.34Å; I447-A451 PolarHBondContact O-N 3.44Å
448L93.3Very high90Very high70 Ų7045.6 Ų45.637%0.36624%0.241SC..Hα-helixtrans-69.7-40.1173.8-63.1173.8000110.7G385 F389 L444 S445 A450 A451 G452G385-L448 WeakPolarHBondContact O-CB 3.09Å; G385-L448 WeakPolarHBondContact O-CD1 3.32Å; F389-L448 HydrophobicContact CB-CB 4.24Å; F389-L448 WeakPolarHBondContact CD2-O 3.38Å; L444-L448 PolarHBondContact O-N 3.05Å; S445-L448 WeakPolarHBondContact O-CA 3.24Å; S445-L448 WeakPolarHBondContact O-CB 3.38Å; S445-L448 PolarHBondContact O-N 3.45Å; L448-A450 PolarHBondContact O-N 3.18Å; L448-A451 PolarHBondContact O-N 2.83Å; L448-G452 PolarHBondContact O-N 3.11Å
449C93.4Very high90Very high0 Ų048.6 Ų48.60%026%0.257CS..Hα-helixtrans-57.2-48.2170.8-172.40000112.4V60 N388 G392 S445 S446 A451 G452 M453V60-C449 HydrophobicContact CG1-CB 4.29Å; N388-C449 HydrophobicContact CB-CB 3.97Å; N388-C449 WeakPolarHBondContact O-CA 3.45Å; N388-C449 WeakPolarHBondContact O-CB 3.5Å; N388-C449 PolarHBondContact O-SG 3.25Å; N388-C449 WeakPolarHBondContact OD1-CB 3.4Å; G392-C449 WeakPolarHBondContact CA-O 3.34Å; S445-C449 PolarHBondContact O-N 3.21Å; S446-C449 PolarHBondContact O-N 2.99Å; C449-A451 VanDerWaalsContact C-N 3.33Å; C449-A451 PolarHBondContact O-N 3.31Å; C449-G452 PolarHBondContact O-N 3.12Å; C449-M453 PolarHBondContact O-N 3.34Å
450A95Very high89.2Confident33 Ų3346.1 Ų46.127%0.27325%0.246SC..Hα-helixtrans-61.6-38.2176.300000113.1V60 S446 L448 I454V60-A450 HydrophobicContact CG1-CB 4.11Å; S446-A450 PolarHBondContact O-N 3.11Å; L448-A450 PolarHBondContact O-N 3.18Å; A450-I454 WeakPolarHBondContact O-CG1 3.14Å; A450-I454 PolarHBondContact O-N 3.37Å; A450-I454 VanDerWaalsContact O-N 3.14Å
451A94.7Very high87.8Confident38 Ų3842.8 Ų42.831%0.31425%0.246SC..Hα-helixtrans-66.8-42.6174.500000112.1I447 L448 C449 I454 I455I447-A451 WeakPolarHBondContact O-CB 3.34Å; I447-A451 PolarHBondContact O-N 3.44Å; L448-A451 PolarHBondContact O-N 2.83Å; C449-A451 VanDerWaalsContact C-N 3.33Å; C449-A451 PolarHBondContact O-N 3.31Å; A451-I454 PolarHBondContact O-N 3.05Å; A451-I455 WeakPolarHBondContact O-CG1 3.35Å; A451-I455 PolarHBondContact O-N 3.01Å; A451-I455 VanDerWaalsContact O-N 3.07Å
452G92.4Very high86.7Confident0 Ų045.4 Ų45.40%026%0.262CS..Hα-helixtrans-58-46.9173.800000111.7I393 L448 C449 I454 I455 G456I393-G452 WeakPolarHBondContact CA-O 3.5Å; I393-G452 VanDerWaalsContact CG1-O 3.32Å; I393-G452 WeakPolarHBondContact CG1-O 3.22Å; I393-G452 PolarHBondContact N-O 3.34Å; L448-G452 PolarHBondContact O-N 3.11Å; C449-G452 PolarHBondContact O-N 3.12Å; G452-I454 PolarHBondContact O-N 2.99Å; G452-I455 CarbonylContact O-C 3.59Å; G452-I455 PolarHBondContact O-N 3.5Å; G452-I455 VanDerWaalsContact O-N 3.11Å; G452-G456 PolarHBondContact O-N 3.24Å
453M93.7Very high85.7Confident5 Ų549.8 Ų49.83%0.02528%0.282CS..Hα-helixtrans-62.2-41.8178.2178.4-78-62.800113.3F53 A56 I57 V60 G392 I395 C449 I455 G456 F457F53-M453 HydrophobicContact CE2-SD 4.32Å; A56-M453 HydrophobicContact CB-CG 3.83Å; A56-M453 HydrophobicContact CB-SD 3.61Å; I57-M453 HydrophobicContact CB-CE 4.48Å; I57-M453 HydrophobicContact CG1-CE 3.6Å; V60-M453 HydrophobicContact CG2-CB 3.64Å; V60-M453 HydrophobicContact CG2-CE 4.41Å; V60-M453 HydrophobicContact CG2-CG 3.73Å; G392-M453 VanDerWaalsContact C-CA 3.5Å; G392-M453 WeakPolarHBondContact O-CA 3.45Å; G392-M453 WeakPolarHBondContact O-CB 3.46Å; G392-M453 PolarHBondContact O-N 3.27Å; I395-M453 HydrophobicContact CG2-CG 4.31Å; C449-M453 PolarHBondContact O-N 3.34Å; M453-I455 VanDerWaalsContact C-N 3.3Å; M453-I455 PolarHBondContact O-N 3.12Å; M453-G456 PolarHBondContact O-N 3.1Å; M453-F457 WeakPolarHBondContact O-CB 3.22Å; M453-F457 PolarHBondContact O-N 3.19Å
454I93.6Very high84.5Confident78 Ų7849.3 Ų49.340%0.429%0.286SS..Hα-helixtrans-61.8-41.9174.1-66.9163.5000110.5F53 A450 A451 G452 L458F53-I454 HydrophobicContact CE2-CG1 4.46Å; A450-I454 WeakPolarHBondContact O-CG1 3.14Å; A450-I454 PolarHBondContact O-N 3.37Å; A450-I454 VanDerWaalsContact O-N 3.14Å; A451-I454 PolarHBondContact O-N 3.05Å; G452-I454 PolarHBondContact O-N 2.99Å; I454-L458 HydrophobicContact CG2-CD1 3.94Å; I454-L458 WeakPolarHBondContact O-CB 3.5Å; I454-L458 WeakPolarHBondContact O-CD1 3.48Å; I454-L458 WeakPolarHBondContact O-CG 3.42Å; I454-L458 PolarHBondContact O-N 3.38Å; I454-L458 VanDerWaalsContact O-N 3.12Å
455I90.6Very high83.3Confident69 Ų6948.7 Ų48.735%0.35428%0.283SS..Hα-helixtrans-66.5-50.9179-70.4167.9000110.9F389 A451 G452 M453 F457 L458 L459F389-I455 HydrophobicContact CE2-CD1 3.99Å; F389-I455 HydrophobicContact CZ-CD1 4.02Å; A451-I455 WeakPolarHBondContact O-CG1 3.35Å; A451-I455 PolarHBondContact O-N 3.01Å; A451-I455 VanDerWaalsContact O-N 3.07Å; G452-I455 CarbonylContact O-C 3.59Å; G452-I455 PolarHBondContact O-N 3.5Å; G452-I455 VanDerWaalsContact O-N 3.11Å; M453-I455 VanDerWaalsContact C-N 3.3Å; M453-I455 PolarHBondContact O-N 3.12Å; I455-F457 VanDerWaalsContact C-N 3.34Å; I455-F457 PolarHBondContact O-N 3.1Å; I455-L458 PolarHBondContact O-N 2.93Å; I455-L459 HydrophobicContact CG2-CD1 3.55Å; I455-L459 HydrophobicContact CG2-CG 4.35Å; I455-L459 VanDerWaalsContact O-CB 3.31Å; I455-L459 WeakPolarHBondContact O-CB 3.44Å; I455-L459 VanDerWaalsContact O-CG 3.28Å; I455-L459 WeakPolarHBondContact O-CG 3.22Å; I455-L459 PolarHBondContact O-N 3.4Å
456G88.2Confident82.3Confident1 Ų149.7 Ų49.71%0.0129%0.287CS..Hα-helixtrans-60-41.3177.700000112.7G452 M453 L458 L459 G460G452-G456 PolarHBondContact O-N 3.24Å; M453-G456 PolarHBondContact O-N 3.1Å; G456-L458 VanDerWaalsContact C-N 3.35Å; G456-L458 PolarHBondContact O-N 3.43Å; G456-L459 CarbonylContact O-C 3.57Å; G456-L459 PolarHBondContact O-N 3.1Å; G456-G460 WeakPolarHBondContact O-CA 3.43Å; G456-G460 PolarHBondContact O-N 3.47Å
457F90.5Very high81.7Confident4 Ų449 Ų492%0.01828%0.283CS..Hα-helixtrans-67.3-34.4178.5-165.9-83.8000112.9F48 A52 F53 A56 G396 F399 A400 M453 I455F48-F457 AromaticContact CD2-CE1 3.82Å; F48-F457 HydrophobicContact CD2-CE1 3.82Å; F48-F457 HydrophobicContact CE2-CD1 4.1Å; F48-F457 AromaticContact CE2-CE1 3.61Å; F48-F457 HydrophobicContact CE2-CE1 3.61Å; A52-F457 HydrophobicContact CB-CE2 3.88Å; A52-F457 HydrophobicContact CB-CZ 4.09Å; F53-F457 HydrophobicContact CB-CE1 3.93Å; F53-F457 HydrophobicContact CB-CE2 4.18Å; F53-F457 HydrophobicContact CB-CZ 3.74Å; F53-F457 AromaticContact CD2-CD1 3.7Å; F53-F457 HydrophobicContact CD2-CD1 3.7Å; F53-F457 HydrophobicContact CD2-CD2 4.36Å; F53-F457 AromaticContact CD2-CE1 3.96Å; F53-F457 HydrophobicContact CD2-CE1 3.96Å; F53-F457 AromaticContact CD2-CG 3.93Å; F53-F457 HydrophobicContact CD2-CG 3.93Å; F53-F457 HydrophobicContact CD2-CZ 4.39Å; F53-F457 HydrophobicContact CE2-CD1 4.47Å; F53-F457 HydrophobicContact CG-CE1 4.37Å; A56-F457 HydrophobicContact CB-CD2 4.43Å; G396-F457 WeakPolarHBondContact O-CA 3.49Å; G396-F457 WeakPolarHBondContact O-CD2 3.4Å; F399-F457 HydrophobicContact CB-CD2 4.11Å; F399-F457 HydrophobicContact CB-CE2 4.04Å; A400-F457 HydrophobicContact CB-CD2 4.2Å; A400-F457 HydrophobicContact CB-CE2 4.44Å; A400-F457 HydrophobicContact CB-CG 4.45Å; M453-F457 WeakPolarHBondContact O-CB 3.22Å; M453-F457 PolarHBondContact O-N 3.19Å; I455-F457 VanDerWaalsContact C-N 3.34Å; I455-F457 PolarHBondContact O-N 3.1Å
458L87.9Confident81.2Confident129 Ų12950.9 Ų50.968%0.67528%0.283SS*.Hα-helixtrans-77.2-26.6174.6-69.4172.6000112.9I454 I455 G456I454-L458 HydrophobicContact CG2-CD1 3.94Å; I454-L458 WeakPolarHBondContact O-CB 3.5Å; I454-L458 WeakPolarHBondContact O-CD1 3.48Å; I454-L458 WeakPolarHBondContact O-CG 3.42Å; I454-L458 PolarHBondContact O-N 3.38Å; I454-L458 VanDerWaalsContact O-N 3.12Å; I455-L458 PolarHBondContact O-N 2.93Å; G456-L458 VanDerWaalsContact C-N 3.35Å; G456-L458 PolarHBondContact O-N 3.43Å
459L83.3Confident80.5Confident65 Ų6549.4 Ų49.434%0.3428%0.275SS..Hα-helixtrans-96-9.6-178.7-68.7177.3000114.2I455 G456 G461 M462 L465I455-L459 HydrophobicContact CG2-CD1 3.55Å; I455-L459 HydrophobicContact CG2-CG 4.35Å; I455-L459 VanDerWaalsContact O-CB 3.31Å; I455-L459 WeakPolarHBondContact O-CB 3.44Å; I455-L459 VanDerWaalsContact O-CG 3.28Å; I455-L459 WeakPolarHBondContact O-CG 3.22Å; I455-L459 PolarHBondContact O-N 3.4Å; G456-L459 CarbonylContact O-C 3.57Å; G456-L459 PolarHBondContact O-N 3.1Å; L459-G461 PolarHBondContact O-N 3.37Å; L459-M462 HydrophobicContact CD2-SD 4.37Å; L459-M462 WeakPolarHBondContact O-CB 3.48Å; L459-M462 PolarHBondContact O-N 2.9Å; L459-L465 HydrophobicContact CD1-CD1 3.87Å; L459-L465 HydrophobicContact CD2-CD1 4.31Å
460G66.9Low79.9Confident8 Ų850.1 Ų50.18%0.08228%0.279CS..THydrogen-bonded Turntrans-60.36.6-168.700000118.4G456G456-G460 WeakPolarHBondContact O-CA 3.43Å; G456-G460 PolarHBondContact O-N 3.47Å
461G60.2Low79.6Confident53 Ų5348.7 Ų48.755%0.54627%0.266SS..THydrogen-bonded Turntrans-91.2-10.1160.800000114.4L459 H463L459-G461 PolarHBondContact O-N 3.37Å; G461-H463 PolarHBondContact O-ND1 3.4Å
462M65.2Low79.2Confident110 Ų11049.4 Ų49.454%0.54227%0.265SS..  trans-107.762.4-170.4-65.3-170.663.200113.1L459 S464 L465L459-M462 HydrophobicContact CD2-SD 4.37Å; L459-M462 WeakPolarHBondContact O-CB 3.48Å; L459-M462 PolarHBondContact O-N 2.9Å; M462-S464 PolarHBondContact O-N 3.41Å; M462-L465 HydrophobicContact CB-CD1 4.3Å; M462-L465 HydrophobicContact CE-CD1 4.35Å; M462-L465 PolarHBondContact O-N 3.24Å
463H62.6Low78.8Confident98 Ų9849.5 Ų49.545%0.45427%0.265SS..THydrogen-bonded Turntrans-42-24.2177.3-62.877.8000116.1G461 L465 D466G461-H463 PolarHBondContact O-ND1 3.4Å; H463-L465 VanDerWaalsContact C-N 3.29Å; H463-L465 PolarHBondContact O-N 2.86Å; H463-D466 WeakPolarHBondContact CA-OD2 3.28Å
464S62.4Low78.6Confident76 Ų7649.2 Ų49.253%0.53126%0.264SS..THydrogen-bonded Turntrans-69.5-19178.7-54.80000115M462M462-S464 PolarHBondContact O-N 3.41Å
465L64.6Low78.4Confident65 Ų6545.5 Ų45.534%0.3425%0.245SC..THydrogen-bonded Turntrans-83.1-36.1-179-67.5176.3000112L459 M462 H463 T467 W468 I469L459-L465 HydrophobicContact CD1-CD1 3.87Å; L459-L465 HydrophobicContact CD2-CD1 4.31Å; M462-L465 HydrophobicContact CB-CD1 4.3Å; M462-L465 HydrophobicContact CE-CD1 4.35Å; M462-L465 PolarHBondContact O-N 3.24Å; H463-L465 VanDerWaalsContact C-N 3.29Å; H463-L465 PolarHBondContact O-N 2.86Å; L465-T467 PolarHBondContact O-N 3.34Å; L465-W468 PolarHBondContact O-N 2.86Å; L465-W468 VanDerWaalsContact O-N 3.14Å; L465-I469 HydrophobicContact CB-CD1 4.34Å; L465-I469 WeakPolarHBondContact O-CG1 3.24Å; L465-I469 PolarHBondContact O-N 2.87Å; L465-I469 VanDerWaalsContact O-N 3.12Å
466D68.8Low78.3Confident23 Ų2342.6 Ų42.612%0.12323%0.23CC..Hα-helixtrans-60.7-47.4-173.8-51.1-42.4000110.9H463 W468 I469 F470H463-D466 WeakPolarHBondContact CA-OD2 3.28Å; D466-W468 VanDerWaalsContact C-N 3.27Å; D466-W468 PolarHBondContact O-N 3.33Å; D466-I469 PolarHBondContact O-N 3.21Å; D466-I469 VanDerWaalsContact O-N 3.11Å; D466-F470 HydrophobicContact CB-CD2 4.34Å; D466-F470 HydrophobicContact CB-CE2 3.82Å; D466-F470 HydrophobicContact CB-CZ 4.08Å; D466-F470 WeakPolarHBondContact O-CB 3.3Å; D466-F470 WeakPolarHBondContact O-CD2 3.37Å; D466-F470 WeakPolarHBondContact O-CG 3.29Å; D466-F470 PolarHBondContact O-N 2.82Å
467T76.5Confident78.2Confident5 Ų542.6 Ų42.63%0.03123%0.23CC..Hα-helixtrans-50.9-42174.9-47.60000113.5A109 E151 L465 M471A109-T467 HydrophobicContact CB-CG2 3.95Å; A109-T467 WeakPolarHBondContact O-CG2 3.47Å; E151-T467 HydrophobicContact CG-CG2 4.05Å; E151-T467 WeakPolarHBondContact OE1-CG2 3.44Å; L465-T467 PolarHBondContact O-N 3.34Å; T467-M471 WeakPolarHBondContact O-CG 3.43Å; T467-M471 PolarHBondContact O-N 3.22Å; T467-M471 VanDerWaalsContact O-N 3.17Å
468W81.2Confident78.3Confident139 Ų13943.5 Ų43.553%0.52723%0.234SC..Hα-helixtrans-76.2-36.9-177-71.348.7000111.1L150 I154 L465 D466 L472L150-W468 HydrophobicContact CD2-CH2 4.38Å; L150-W468 HydrophobicContact CD2-CZ2 4.07Å; I154-W468 HydrophobicContact CD1-CE3 4.49Å; I154-W468 WeakPolarHBondContact CG2-O 3.28Å; L465-W468 PolarHBondContact O-N 2.86Å; L465-W468 VanDerWaalsContact O-N 3.14Å; D466-W468 VanDerWaalsContact C-N 3.27Å; D466-W468 PolarHBondContact O-N 3.33Å; W468-L472 WeakPolarHBondContact O-CB 3.42Å; W468-L472 PolarHBondContact O-N 3.44Å; W468-L472 VanDerWaalsContact O-N 3.11Å
469I78.8Confident78.4Confident39 Ų3937.9 Ų37.920%0.220%0.204CC..Hα-helixtrans-69.4-43.7177.9-65.5163.9000110C390 I393 L465 D466 L472 A473C390-I469 HydrophobicContact CB-CG2 4.5Å; I393-I469 HydrophobicContact CD1-CD1 4.13Å; I393-I469 HydrophobicContact CD1-CG2 4.45Å; I393-I469 HydrophobicContact CG2-CD1 4.3Å; L465-I469 HydrophobicContact CB-CD1 4.34Å; L465-I469 WeakPolarHBondContact O-CG1 3.24Å; L465-I469 PolarHBondContact O-N 2.87Å; L465-I469 VanDerWaalsContact O-N 3.12Å; D466-I469 PolarHBondContact O-N 3.21Å; D466-I469 VanDerWaalsContact O-N 3.11Å; I469-L472 WeakPolarHBondContact O-CB 3.44Å; I469-L472 PolarHBondContact O-N 3.47Å; I469-A473 WeakPolarHBondContact O-CB 3.38Å; I469-A473 PolarHBondContact O-N 3.42Å
470F81.7Confident78.5Confident15 Ų1535 Ų357%0.06619%0.189CC..Hα-helixtrans-64.5-41.8177.4-62.4-24.6000112.8L105 H108 A394 D466 L472 A473 A474L105-F470 HydrophobicContact CB-CB 4.44Å; L105-F470 HydrophobicContact CD2-CB 4.04Å; L105-F470 HydrophobicContact CD2-CD1 3.88Å; L105-F470 HydrophobicContact CD2-CG 4.07Å; H108-F470 AromaticContact CE1-CE2 3.85Å; H108-F470 AromaticContact ND1-CD2 3.96Å; H108-F470 AromaticContact ND1-CE2 3.86Å; A394-F470 HydrophobicContact CB-CE1 4.1Å; A394-F470 HydrophobicContact CB-CZ 4.29Å; D466-F470 HydrophobicContact CB-CD2 4.34Å; D466-F470 HydrophobicContact CB-CE2 3.82Å; D466-F470 HydrophobicContact CB-CZ 4.08Å; D466-F470 WeakPolarHBondContact O-CB 3.3Å; D466-F470 WeakPolarHBondContact O-CD2 3.37Å; D466-F470 WeakPolarHBondContact O-CG 3.29Å; D466-F470 PolarHBondContact O-N 2.82Å; F470-L472 VanDerWaalsContact C-N 3.34Å; F470-L472 PolarHBondContact O-N 3.37Å; F470-A473 PolarHBondContact O-N 3.49Å; F470-A474 WeakPolarHBondContact O-CB 3.39Å; F470-A474 PolarHBondContact O-N 3.05Å
471M88.3Confident79.5Confident2 Ų234.6 Ų34.61%0.0119%0.185CC..Hα-helixtrans-64.6-39.7173.5-70.7-57.5-80.400112.1I106 A109 F110 E151 I154 A155 T467 A474 G475I106-M471 HydrophobicContact CB-SD 4.45Å; I106-M471 HydrophobicContact CG1-CE 4.31Å; I106-M471 HydrophobicContact CG1-SD 4.01Å; A109-M471 HydrophobicContact CB-CG 3.47Å; A109-M471 VanDerWaalsContact CB-CG 3.47Å; A109-M471 HydrophobicContact CB-SD 3.43Å; A109-M471 WeakPolarHBondContact CB-SD 3.39Å; F110-M471 HydrophobicContact CE1-CE 4.08Å; F110-M471 HydrophobicContact CZ-CE 3.92Å; E151-M471 HydrophobicContact CB-CE 4.09Å; E151-M471 HydrophobicContact CB-CG 3.96Å; E151-M471 HydrophobicContact CG-CG 4.42Å; E151-M471 VanDerWaalsContact O-CE 3.22Å; E151-M471 WeakPolarHBondContact O-CE 3.48Å; I154-M471 HydrophobicContact CB-CB 4.1Å; I154-M471 HydrophobicContact CG2-CB 4.11Å; A155-M471 WeakPolarHBondContact CA-O 3.3Å; A155-M471 HydrophobicContact CB-CE 3.91Å; A155-M471 WeakPolarHBondContact CB-O 3.4Å; T467-M471 WeakPolarHBondContact O-CG 3.43Å; T467-M471 PolarHBondContact O-N 3.22Å; T467-M471 VanDerWaalsContact O-N 3.17Å; M471-A474 PolarHBondContact O-N 3.1Å; M471-G475 PolarHBondContact O-N 2.99Å; M471-G475 VanDerWaalsContact O-N 3.16Å
472L86.7Confident81Confident54 Ų5435.7 Ų35.728%0.28318%0.178SC..Hα-helixtrans-61.5-47.4175.6-170.873.5000110.6I154 I161 W468 I469 F470 G475 M476I154-L472 HydrophobicContact CG2-CB 3.93Å; I154-L472 HydrophobicContact CG2-CD1 4.24Å; I161-L472 HydrophobicContact CD1-CD1 4.29Å; W468-L472 WeakPolarHBondContact O-CB 3.42Å; W468-L472 PolarHBondContact O-N 3.44Å; W468-L472 VanDerWaalsContact O-N 3.11Å; I469-L472 WeakPolarHBondContact O-CB 3.44Å; I469-L472 PolarHBondContact O-N 3.47Å; F470-L472 VanDerWaalsContact C-N 3.34Å; F470-L472 PolarHBondContact O-N 3.37Å; L472-G475 PolarHBondContact O-N 2.71Å; L472-M476 WeakPolarHBondContact O-CG 3.42Å; L472-M476 PolarHBondContact O-N 3Å; L472-M476 VanDerWaalsContact O-N 3.08Å
473A83.2Confident82.1Confident1 Ų133.5 Ų33.51%0.00817%0.171CC..Hα-helixtrans-59.5-46.6177.400000112.8L105 C390 I469 F470 G475 M476 F477L105-A473 HydrophobicContact CD1-CB 3.81Å; C390-A473 HydrophobicContact CB-CB 4.26Å; I469-A473 WeakPolarHBondContact O-CB 3.38Å; I469-A473 PolarHBondContact O-N 3.42Å; F470-A473 PolarHBondContact O-N 3.49Å; A473-G475 PolarHBondContact O-N 3.06Å; A473-M476 HydrophobicContact CB-CE 4.19Å; A473-M476 WeakPolarHBondContact O-CA 3.47Å; A473-M476 WeakPolarHBondContact O-CB 3.32Å; A473-M476 PolarHBondContact O-N 3.48Å; A473-F477 HydrophobicContact CB-CE1 4.29Å; A473-F477 HydrophobicContact CB-CE2 4.26Å; A473-F477 HydrophobicContact CB-CZ 3.83Å; A473-F477 WeakPolarHBondContact O-CD1 3.42Å; A473-F477 WeakPolarHBondContact O-CG 2.74Å; A473-F477 PolarHBondContact O-N 2.95Å
474A88.9Confident83Confident0 Ų029.3 Ų29.30%015%0.151CC..Hα-helixtrans-56.4-40175.200000111.8A101 L105 I106 F470 M471 F477 I478A101-A474 HydrophobicContact CB-CB 4.08Å; L105-A474 HydrophobicContact CB-CB 3.88Å; L105-A474 HydrophobicContact CD1-CB 4.1Å; I106-A474 HydrophobicContact CD1-CB 4.08Å; I106-A474 HydrophobicContact CG1-CB 3.66Å; F470-A474 WeakPolarHBondContact O-CB 3.39Å; F470-A474 PolarHBondContact O-N 3.05Å; M471-A474 PolarHBondContact O-N 3.1Å; A474-F477 PolarHBondContact O-N 3.49Å; A474-I478 WeakPolarHBondContact O-CB 3.24Å; A474-I478 WeakPolarHBondContact O-CD1 3.21Å; A474-I478 VanDerWaalsContact O-CG1 3.22Å; A474-I478 WeakPolarHBondContact O-CG1 3.37Å; A474-I478 PolarHBondContact O-N 3.14Å
475G90.8Very high83.9Confident0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-61.3-42.3172.600000113.6A155 I159 M471 L472 A473 Y479A155-G475 VanDerWaalsContact O-CA 3.24Å; A155-G475 WeakPolarHBondContact O-CA 3.32Å; I159-G475 WeakPolarHBondContact CG1-O 3.27Å; M471-G475 PolarHBondContact O-N 2.99Å; M471-G475 VanDerWaalsContact O-N 3.16Å; L472-G475 PolarHBondContact O-N 2.71Å; A473-G475 PolarHBondContact O-N 3.06Å; G475-Y479 PolarHBondContact O-N 2.95Å
476M87.1Confident84.9Confident8 Ų825.8 Ų25.84%0.03913%0.126CC..Hα-helixtrans-65.5-44.4176.7-59.1-172.6-65.700111.3F162 L386 L472 A473 Y479 I480F162-M476 HydrophobicContact CD2-CB 3.96Å; F162-M476 HydrophobicContact CD2-CG 3.53Å; F162-M476 HydrophobicContact CD2-SD 3.81Å; F162-M476 HydrophobicContact CE2-CB 4.08Å; F162-M476 HydrophobicContact CE2-CG 3.69Å; F162-M476 HydrophobicContact CE2-SD 3.37Å; F162-M476 WeakPolarHBondContact CE2-SD 3.4Å; F162-M476 HydrophobicContact CG-CB 4.46Å; F162-M476 HydrophobicContact CG-CG 4.41Å; F162-M476 HydrophobicContact CZ-SD 4.33Å; L386-M476 HydrophobicContact CB-CE 4.06Å; L386-M476 HydrophobicContact CB-SD 4.11Å; L386-M476 HydrophobicContact CD1-SD 4.07Å; L472-M476 WeakPolarHBondContact O-CG 3.42Å; L472-M476 PolarHBondContact O-N 3Å; L472-M476 VanDerWaalsContact O-N 3.08Å; A473-M476 HydrophobicContact CB-CE 4.19Å; A473-M476 WeakPolarHBondContact O-CA 3.47Å; A473-M476 WeakPolarHBondContact O-CB 3.32Å; A473-M476 PolarHBondContact O-N 3.48Å; M476-Y479 WeakPolarHBondContact O-CB 3.37Å; M476-Y479 PolarHBondContact O-N 2.99Å; M476-Y479 VanDerWaalsContact O-N 3.1Å; M476-I480 WeakPolarHBondContact O-CG1 3.42Å; M476-I480 PolarHBondContact O-N 3.37Å
477F87.1Confident85.6Confident1 Ų127.9 Ų27.90%0.00414%0.141CC..Hα-helixtrans-72.7-34.3-175-54.7-8.7000112L97 D100 A101 L105 H387 A473 A474 Y479 I480 A481L97-F477 HydrophobicContact CD2-CB 4.01Å; L97-F477 HydrophobicContact CD2-CD1 4.4Å; L97-F477 HydrophobicContact CD2-CG 4.11Å; D100-F477 VanDerWaalsContact OD2-CD2 3.27Å; D100-F477 WeakPolarHBondContact OD2-CD2 3.28Å; D100-F477 VanDerWaalsContact OD2-CE2 3.24Å; D100-F477 WeakPolarHBondContact OD2-CE2 3.32Å; A101-F477 HydrophobicContact CB-CB 4.29Å; L105-F477 HydrophobicContact CD1-CD2 3.66Å; L105-F477 HydrophobicContact CD1-CE2 3.46Å; L105-F477 VanDerWaalsContact CD1-CE2 3.46Å; L105-F477 HydrophobicContact CD1-CZ 4.35Å; H387-F477 HydrophobicContact CB-CE1 3.7Å; H387-F477 HydrophobicContact CB-CZ 3.99Å; H387-F477 AromaticContact CE1-CD2 3.99Å; H387-F477 AromaticContact CE1-CE2 3.41Å; H387-F477 VanDerWaalsContact CE1-CE2 3.41Å; H387-F477 WeakPolarHBondContact CE1-CE2 3.47Å; H387-F477 AromaticContact CE1-CZ 3.58Å; H387-F477 AromaticContact CG-CE1 3.76Å; H387-F477 AromaticContact CG-CZ 3.66Å; H387-F477 AromaticContact ND1-CD1 3.62Å; H387-F477 AromaticContact ND1-CD2 3.72Å; H387-F477 AromaticContact ND1-CE1 3.09Å; H387-F477 WeakPolarHBondContact ND1-CE1 3.43Å; H387-F477 AromaticContact ND1-CE2 3.13Å; H387-F477 WeakPolarHBondContact ND1-CE2 3.47Å; H387-F477 AromaticContact ND1-CG 3.97Å; H387-F477 AromaticContact ND1-CZ 2.85Å; H387-F477 WeakPolarHBondContact ND1-CZ 3.39Å; A473-F477 HydrophobicContact CB-CE1 4.29Å; A473-F477 HydrophobicContact CB-CE2 4.26Å; A473-F477 HydrophobicContact CB-CZ 3.83Å; A473-F477 WeakPolarHBondContact O-CD1 3.42Å; A473-F477 WeakPolarHBondContact O-CG 2.74Å; A473-F477 PolarHBondContact O-N 2.95Å; A474-F477 PolarHBondContact O-N 3.49Å; F477-Y479 VanDerWaalsContact C-N 3.27Å; F477-Y479 PolarHBondContact O-N 3.33Å; F477-I480 HydrophobicContact CD1-CD1 4.48Å; F477-I480 PolarHBondContact O-N 2.84Å; F477-A481 VanDerWaalsContact O-CB 3.24Å; F477-A481 WeakPolarHBondContact O-CB 3.49Å; F477-A481 PolarHBondContact O-N 2.84Å
478I92.1Very high85.6Confident23 Ų2328.8 Ų28.812%0.11815%0.145CC..Hα-helixtrans-58.8-40.1168.4-71167.5000110.9A101 F102 I106 I159 A474 L482A101-I478 HydrophobicContact CB-CD1 4.12Å; A101-I478 HydrophobicContact CB-CG1 3.66Å; F102-I478 HydrophobicContact CE1-CD1 4.07Å; F102-I478 HydrophobicContact CE2-CD1 4.09Å; F102-I478 HydrophobicContact CE2-CG1 4.03Å; F102-I478 HydrophobicContact CZ-CD1 3.7Å; F102-I478 HydrophobicContact CZ-CG1 4.13Å; I106-I478 HydrophobicContact CD1-CD1 4.25Å; I159-I478 HydrophobicContact CD1-CG2 4.09Å; A474-I478 WeakPolarHBondContact O-CB 3.24Å; A474-I478 WeakPolarHBondContact O-CD1 3.21Å; A474-I478 VanDerWaalsContact O-CG1 3.22Å; A474-I478 WeakPolarHBondContact O-CG1 3.37Å; A474-I478 PolarHBondContact O-N 3.14Å; I478-L482 HydrophobicContact CG2-CD1 3.94Å; I478-L482 WeakPolarHBondContact O-CB 3.41Å; I478-L482 WeakPolarHBondContact O-CG 3.49Å; I478-L482 PolarHBondContact O-N 3.08Å; I478-L482 VanDerWaalsContact O-N 3.12Å
479Y90.2Very high85.4Confident11 Ų1122.6 Ų22.64%0.04312%0.121CC..Hα-helixtrans-64.7-53.2176.9-163.9-85.5000111.5I159 F162 F163 E166 G475 M476 F477 A481 L482 V483 D484I159-Y479 HydrophobicContact CG2-CD2 4.03Å; I159-Y479 WeakPolarHBondContact O-CD2 3.34Å; F162-Y479 HydrophobicContact CB-CD1 3.84Å; F162-Y479 HydrophobicContact CB-CD2 4.27Å; F162-Y479 HydrophobicContact CB-CE1 4.43Å; F162-Y479 HydrophobicContact CB-CG 3.75Å; F162-Y479 HydrophobicContact CD1-CD1 4.32Å; F163-Y479 WeakPolarHBondContact CA-OH 3.45Å; F163-Y479 HydrophobicContact CB-CE2 3.69Å; F163-Y479 HydrophobicContact CD2-CE2 4.35Å; F163-Y479 WeakPolarHBondContact CD2-OH 3.29Å; E166-Y479 PolarHBondContact OE2-OH 3.49Å; G475-Y479 PolarHBondContact O-N 2.95Å; M476-Y479 WeakPolarHBondContact O-CB 3.37Å; M476-Y479 PolarHBondContact O-N 2.99Å; M476-Y479 VanDerWaalsContact O-N 3.1Å; F477-Y479 VanDerWaalsContact C-N 3.27Å; F477-Y479 PolarHBondContact O-N 3.33Å; Y479-A481 PolarHBondContact O-N 3.13Å; Y479-L482 PolarHBondContact O-N 3.16Å; Y479-V483 HydrophobicContact CD1-CB 4.05Å; Y479-V483 HydrophobicContact CD1-CG2 4.45Å; Y479-V483 HydrophobicContact CD2-CB 4.38Å; Y479-V483 HydrophobicContact CD2-CG2 3.93Å; Y479-V483 HydrophobicContact CE1-CB 3.86Å; Y479-V483 HydrophobicContact CE1-CG1 3.84Å; Y479-V483 HydrophobicContact CE1-CG2 4.44Å; Y479-V483 HydrophobicContact CE2-CB 4.18Å; Y479-V483 HydrophobicContact CE2-CG1 4.14Å; Y479-V483 HydrophobicContact CE2-CG2 3.9Å; Y479-V483 HydrophobicContact CG-CB 4.31Å; Y479-V483 HydrophobicContact CG-CG2 4.21Å; Y479-V483 WeakPolarHBondContact O-CA 3.21Å; Y479-V483 VanDerWaalsContact O-CB 3.23Å; Y479-V483 WeakPolarHBondContact O-CB 3.41Å; Y479-V483 PolarHBondContact O-N 2.91Å; Y479-D484 PolarHBondContact O-N 3.36Å
480I85.3Confident85.2Confident4 Ų424.8 Ų24.82%0.02114%0.141CC..Iπ-helixtrans-60.8-45.9-177.1-60.2160.8000110.3L97 F162 M476 F477 D484 M485L97-I480 HydrophobicContact CD1-CB 4.25Å; L97-I480 HydrophobicContact CD1-CG2 3.69Å; F162-I480 HydrophobicContact CD1-CG1 4.21Å; F162-I480 HydrophobicContact CE1-CD1 4.17Å; F162-I480 HydrophobicContact CE1-CG1 4.19Å; M476-I480 WeakPolarHBondContact O-CG1 3.42Å; M476-I480 PolarHBondContact O-N 3.37Å; F477-I480 HydrophobicContact CD1-CD1 4.48Å; F477-I480 PolarHBondContact O-N 2.84Å; I480-D484 PolarHBondContact O-N 3.33Å; I480-M485 HydrophobicContact CG2-CG 4.43Å; I480-M485 PolarHBondContact O-N 3.24Å
481A88.9Confident84.4Confident0 Ų027.5 Ų27.50%017%0.165CC..Iπ-helixtrans-62.3-49.4-179.900000112.8L97 A98 F477 Y479 M486L97-A481 HydrophobicContact CB-CB 3.78Å; A98-A481 HydrophobicContact CB-CB 4.04Å; F477-A481 VanDerWaalsContact O-CB 3.24Å; F477-A481 WeakPolarHBondContact O-CB 3.49Å; F477-A481 PolarHBondContact O-N 2.84Å; Y479-A481 PolarHBondContact O-N 3.13Å; A481-M486 WeakPolarHBondContact O-CB 3.32Å; A481-M486 PolarHBondContact O-N 3.06Å; A481-M486 VanDerWaalsContact O-N 3.07Å
482L90.6Very high83Confident75 Ų7528.1 Ų28.139%0.39317%0.169SC..Iπ-helixtrans-93.5-28.4-169-56.2-176.6000114.2I478 Y479 M486I478-L482 HydrophobicContact CG2-CD1 3.94Å; I478-L482 WeakPolarHBondContact O-CB 3.41Å; I478-L482 WeakPolarHBondContact O-CG 3.49Å; I478-L482 PolarHBondContact O-N 3.08Å; I478-L482 VanDerWaalsContact O-N 3.12Å; Y479-L482 PolarHBondContact O-N 3.16Å; L482-M486 HydrophobicContact CD2-CE 3.63Å; L482-M486 HydrophobicContact CD2-SD 4.28Å
483V87.5Confident81.5Confident65 Ų6530.3 Ų30.339%0.39418%0.178SC..Iπ-helixtrans-103.1-41.3-174.1-171.90000112.1Y479 P487Y479-V483 HydrophobicContact CD1-CB 4.05Å; Y479-V483 HydrophobicContact CD1-CG2 4.45Å; Y479-V483 HydrophobicContact CD2-CB 4.38Å; Y479-V483 HydrophobicContact CD2-CG2 3.93Å; Y479-V483 HydrophobicContact CE1-CB 3.86Å; Y479-V483 HydrophobicContact CE1-CG1 3.84Å; Y479-V483 HydrophobicContact CE1-CG2 4.44Å; Y479-V483 HydrophobicContact CE2-CB 4.18Å; Y479-V483 HydrophobicContact CE2-CG1 4.14Å; Y479-V483 HydrophobicContact CE2-CG2 3.9Å; Y479-V483 HydrophobicContact CG-CB 4.31Å; Y479-V483 HydrophobicContact CG-CG2 4.21Å; Y479-V483 WeakPolarHBondContact O-CA 3.21Å; Y479-V483 VanDerWaalsContact O-CB 3.23Å; Y479-V483 WeakPolarHBondContact O-CB 3.41Å; Y479-V483 PolarHBondContact O-N 2.91Å; V483-P487 WeakPolarHBondContact O-CD 3.44Å; V483-P487 VanDerWaalsContact O-CG 3.26Å; V483-P487 WeakPolarHBondContact O-CG 3.35Å
484D82.1Confident80.1Confident9 Ų932.9 Ų32.95%0.04819%0.191CC..Iπ-helixtrans-89.8-53.6-179.1-68.8-39.3000111.9T379 Y479 I480T379-D484 WeakPolarHBondContact CG2-OD2 3.41Å; Y479-D484 PolarHBondContact O-N 3.36Å; I480-D484 PolarHBondContact O-N 3.33Å
485M81.9Confident78.1Confident1 Ų143.4 Ų43.41%0.00524%0.237CC..Iπ-helixtrans-82.3-43.7-173.4-71-163173.600114.8I90 A93 V94 L97 D424 I480 E488 L489I90-M485 HydrophobicContact CG2-CB 4.23Å; A93-M485 HydrophobicContact CB-CE 3.79Å; A93-M485 HydrophobicContact CB-SD 3.6Å; V94-M485 HydrophobicContact CG2-CB 3.36Å; V94-M485 HydrophobicContact CG2-CG 4.37Å; V94-M485 HydrophobicContact CG2-SD 4.08Å; L97-M485 HydrophobicContact CD1-CE 3.94Å; L97-M485 HydrophobicContact CD1-SD 3.83Å; D424-M485 WeakPolarHBondContact OD1-CE 3.05Å; I480-M485 HydrophobicContact CG2-CG 4.43Å; I480-M485 PolarHBondContact O-N 3.24Å; M485-E488 VanDerWaalsContact O-CB 3.29Å; M485-E488 WeakPolarHBondContact O-CB 3.43Å; M485-E488 PolarHBondContact O-N 3.08Å; M485-L489 PolarHBondContact O-N 2.88Å
486M86.4Confident76.2Confident67 Ų6745.3 Ų45.333%0.3326%0.256SS..Hα-helixtrans-61.4-36-175.2-169.6170.3-70.900114.1V94 A481 L482 E488 L489V94-M486 HydrophobicContact CG1-CE 3.55Å; A481-M486 WeakPolarHBondContact O-CB 3.32Å; A481-M486 PolarHBondContact O-N 3.06Å; A481-M486 VanDerWaalsContact O-N 3.07Å; L482-M486 HydrophobicContact CD2-CE 3.63Å; L482-M486 HydrophobicContact CD2-SD 4.28Å; M486-E488 VanDerWaalsContact C-N 3.31Å; M486-E488 PolarHBondContact O-N 2.96Å; M486-L489 PolarHBondContact O-N 3.46Å
487P82.1Confident74.3Confident67 Ų6753.5 Ų53.544%0.43530%0.3SS..Hα-helixtrans-65.8-30171.4-26.439.4000113.9V483 L489 S490 A491V483-P487 WeakPolarHBondContact O-CD 3.44Å; V483-P487 VanDerWaalsContact O-CG 3.26Å; V483-P487 WeakPolarHBondContact O-CG 3.35Å; P487-L489 VanDerWaalsContact C-N 3.34Å; P487-L489 PolarHBondContact O-N 2.69Å; P487-S490 CarbonylContact O-C 3.58Å; P487-S490 WeakPolarHBondContact O-CA 3.37Å; P487-S490 WeakPolarHBondContact O-CB 3.32Å; P487-S490 PolarHBondContact O-N 2.96Å; P487-A491 WeakPolarHBondContact O-CB 3.49Å; P487-A491 PolarHBondContact O-N 3.42Å
488E76.1Confident73Confident24 Ų2462.1 Ų62.111%0.11233%0.333CS..Hα-helixtrans-66.8-35.5178.3-170.360.2-159.800111.4I90 V427 H430 M485 M486 S490 A491 N492I90-E488 HydrophobicContact CD1-CG 4.18Å; V427-E488 HydrophobicContact CG2-CG 4.37Å; H430-E488 IonicContact CE1-OE1 3.75Å; H430-E488 PolarHBondContact CE1-OE1 3.07Å; H430-E488 VanDerWaalsContact CE1-OE1 3.27Å; H430-E488 IonicContact CG-OE1 2.98Å; H430-E488 IonicContact ND1-OE1 3.43Å; H430-E488 PolarHBondContact ND1-OE1 3.35Å; M485-E488 VanDerWaalsContact O-CB 3.29Å; M485-E488 WeakPolarHBondContact O-CB 3.43Å; M485-E488 PolarHBondContact O-N 3.08Å; M486-E488 VanDerWaalsContact C-N 3.31Å; M486-E488 PolarHBondContact O-N 2.96Å; E488-S490 VanDerWaalsContact C-N 3.25Å; E488-S490 PolarHBondContact O-N 3.19Å; E488-A491 PolarHBondContact O-N 2.93Å; E488-N492 VanDerWaalsContact CD-ND2 3.29Å; E488-N492 PolarHBondContact O-N 3.49Å; E488-N492 PolarHBondContact O-ND2 2.87Å; E488-N492 PolarHBondContact OE1-ND2 2.96Å
489L78.4Confident71.1Confident8 Ų872 Ų724%0.04237%0.368CS..Hα-helixtrans-61.2-34.2169.8-61.9177.4000112.6I90 A91 V94 M485 M486 P487 Q510 I514I90-L489 HydrophobicContact CB-CD2 3.76Å; I90-L489 HydrophobicContact CG2-CD2 3.57Å; I90-L489 HydrophobicContact CG2-CG 3.94Å; A91-L489 HydrophobicContact CB-CD1 4.16Å; A91-L489 HydrophobicContact CB-CD2 3.96Å; V94-L489 HydrophobicContact CG2-CD1 4.04Å; M485-L489 PolarHBondContact O-N 2.88Å; M486-L489 PolarHBondContact O-N 3.46Å; P487-L489 VanDerWaalsContact C-N 3.34Å; P487-L489 PolarHBondContact O-N 2.69Å; L489-Q510 HydrophobicContact CD2-CG 4.29Å; L489-Q510 PolarHBondContact O-NE2 3.39Å; L489-I514 HydrophobicContact CD1-CD1 4.25Å
490S73.7Confident69.4Low86 Ų8674.1 Ų74.160%0.60138%0.384SS*.Hα-helixtrans-82.4-33.6-179.2-61.30000112.8P487 E488P487-S490 CarbonylContact O-C 3.58Å; P487-S490 WeakPolarHBondContact O-CA 3.37Å; P487-S490 WeakPolarHBondContact O-CB 3.32Å; P487-S490 PolarHBondContact O-N 2.96Å; E488-S490 VanDerWaalsContact C-N 3.25Å; E488-S490 PolarHBondContact O-N 3.19Å
491A65.7Low68.2Low71 Ų7175.5 Ų75.559%0.58739%0.391SS*.Hα-helixtrans-69.6-32.6-179.100000112.8P487 E488 Q493P487-A491 WeakPolarHBondContact O-CB 3.49Å; P487-A491 PolarHBondContact O-N 3.42Å; E488-A491 PolarHBondContact O-N 2.93Å; A491-Q493 PolarHBondContact O-N 2.89Å
492N58.6Low67.2Low15 Ų1580.7 Ų80.78%0.0842%0.415CS..  trans-8234.5-171-77.9-56.4000115.7Q87 H430 E488 L494Q87-N492 PolarHBondContact NE2-ND2 2.68Å; H430-N492 PolarHBondContact CE1-OD1 3.45Å; E488-N492 VanDerWaalsContact CD-ND2 3.29Å; E488-N492 PolarHBondContact O-N 3.49Å; E488-N492 PolarHBondContact O-ND2 2.87Å; E488-N492 PolarHBondContact OE1-ND2 2.96Å; N492-L494 WeakPolarHBondContact O-CD1 3.43Å; N492-L494 PolarHBondContact O-N 3.39Å
493Q55.1Low66.5Low101 Ų10180.8 Ų80.847%0.47242%0.42SS..  trans-67.779.2162.4-64.1-67.8-42.200109.1A491 K495A491-Q493 PolarHBondContact O-N 2.89Å; Q493-K495 PolarHBondContact O-N 3.24Å
494L53.2Low66.2Low55 Ų5581 Ų8129%0.28842%0.424SS..  trans-59130.6-169-64.4114.1000112.2N83 N492 G496 H501N83-L494 HydrophobicContact CB-CD1 4.21Å; N83-L494 VanDerWaalsContact ND2-CD2 3.25Å; N83-L494 WeakPolarHBondContact ND2-CD2 3.48Å; N492-L494 WeakPolarHBondContact O-CD1 3.43Å; N492-L494 PolarHBondContact O-N 3.39Å; L494-G496 VanDerWaalsContact C-N 3.3Å; L494-G496 PolarHBondContact O-N 3.02Å; L494-H501 VanDerWaalsContact CB-CE1 3.49Å; L494-H501 WeakPolarHBondContact CB-CE1 3.4Å; L494-H501 WeakPolarHBondContact CB-NE2 3.2Å; L494-H501 VanDerWaalsContact CD1-CD2 3.46Å; L494-H501 WeakPolarHBondContact CD1-CD2 3.46Å; L494-H501 VanDerWaalsContact CD1-NE2 3.33Å; L494-H501 WeakPolarHBondContact CD1-NE2 3.2Å; L494-H501 PolarHBondContact N-CE1 3.21Å; L494-H501 PolarHBondContact N-NE2 3.11Å; L494-H501 PolarHBondContact O-CE1 2.98Å; L494-H501 PolarHBondContact O-ND1 3.05Å; L494-H501 VanDerWaalsContact O-ND1 3.13Å
495K47.9Very low66.1Low221 Ų22182.7 Ų82.796%0.96144%0.435SS*.  trans-69.486.9166.1-72.1179.9175179.20109.6Q493Q493-K495 PolarHBondContact O-N 3.24Å
496G50.8Low66.1Low40 Ų4083.2 Ų83.241%0.41244%0.438SS..  trans-163.1117.117900000113.5L494 R498L494-G496 VanDerWaalsContact C-N 3.3Å; L494-G496 PolarHBondContact O-N 3.02Å; G496-R498 PolarHBondContact O-N 2.81Å
497N47.3Very low66.1Low179 Ų17986 Ų8696%0.95745%0.448SS*.  trans-78.448.7-175.9-164.233.5000113.5
498R58.1Low66.4Low183 Ų18387.2 Ų87.269%0.69145%0.45SS*.  trans-111.4141.1178.8-76.8-163.6-98.1-156.9-5.8111.5G496 C500 H501G496-R498 PolarHBondContact O-N 2.81Å; R498-C500 PolarHBondContact O-N 3.39Å; R498-H501 WeakPolarHBondContact O-CA 3.34Å; R498-H501 WeakPolarHBondContact O-CB 3.45Å; R498-H501 PolarHBondContact O-N 3.49Å
499R52.6Low67Low229 Ų22990.7 Ų90.786%0.86446%0.462SS*.G310 helixtrans-58.5-27.7-177-100.3-178.9-79.1170.9-4.9114.9H501R499-H501 PolarHBondContact O-N 2.96Å
500C55Low67.5Low56 Ų5691.3 Ų91.338%0.37847%0.465SS..G310 helixtrans-71.5-7.2172.553.20000113.9R498R498-C500 PolarHBondContact O-N 3.39Å
501H60.1Low68.4Low34 Ų3490.2 Ų90.216%0.15745%0.452CS..G310 helixtrans-12042.1-176.6-167.3-97.3000111.3L494 R498 R499L494-H501 VanDerWaalsContact CB-CE1 3.49Å; L494-H501 WeakPolarHBondContact CB-CE1 3.4Å; L494-H501 WeakPolarHBondContact CB-NE2 3.2Å; L494-H501 VanDerWaalsContact CD1-CD2 3.46Å; L494-H501 WeakPolarHBondContact CD1-CD2 3.46Å; L494-H501 VanDerWaalsContact CD1-NE2 3.33Å; L494-H501 WeakPolarHBondContact CD1-NE2 3.2Å; L494-H501 PolarHBondContact N-CE1 3.21Å; L494-H501 PolarHBondContact N-NE2 3.11Å; L494-H501 PolarHBondContact O-CE1 2.98Å; L494-H501 PolarHBondContact O-ND1 3.05Å; L494-H501 VanDerWaalsContact O-ND1 3.13Å; R498-H501 WeakPolarHBondContact O-CA 3.34Å; R498-H501 WeakPolarHBondContact O-CB 3.45Å; R498-H501 PolarHBondContact O-N 3.49Å; R499-H501 PolarHBondContact O-N 2.96Å
502Q68.6Low69.7Low108 Ų10891 Ų9151%0.50545%0.446SS..  trans-75132.4164.6-69.7-169.8-70.200109S504 V505 L506Q502-S504 PolarHBondContact O-N 3.43Å; Q502-S504 VanDerWaalsContact O-N 3.1Å; Q502-V505 HydrophobicContact CB-CG2 4.15Å; Q502-V505 WeakPolarHBondContact O-CB 3.33Å; Q502-V505 PolarHBondContact O-N 2.87Å; Q502-L506 PolarHBondContact O-N 3.06Å; Q502-L506 VanDerWaalsContact O-N 3.16Å
503P75.5Confident71.4Confident77 Ų7790.2 Ų90.250%0.544%0.442SS..Hα-helixtrans-55-31.2-179.6-29.336000114.1L506 F507P503-L506 PolarHBondContact O-N 3.3Å; P503-F507 VanDerWaalsContact O-CB 3.32Å; P503-F507 WeakPolarHBondContact O-CB 3.34Å; P503-F507 PolarHBondContact O-N 3.38Å
504S80.5Confident73.2Confident69 Ų6987 Ų8748%0.48343%0.428SS..Hα-helixtrans-65.5-39.8174.550.40000113.5Q502 I508Q502-S504 PolarHBondContact O-N 3.43Å; Q502-S504 VanDerWaalsContact O-N 3.1Å; S504-I508 WeakPolarHBondContact O-CD1 3.29Å; S504-I508 VanDerWaalsContact O-CG1 3.3Å; S504-I508 WeakPolarHBondContact O-CG1 3.44Å; S504-I508 PolarHBondContact O-N 3.5Å
505V80.9Confident75.2Confident46 Ų4688.8 Ų88.828%0.27944%0.437SS..Hα-helixtrans-67.2-45176.4174.60000109.6Q502 I508 W509Q502-V505 HydrophobicContact CB-CG2 4.15Å; Q502-V505 WeakPolarHBondContact O-CB 3.33Å; Q502-V505 PolarHBondContact O-N 2.87Å; V505-I508 PolarHBondContact O-N 2.78Å; V505-W509 PolarHBondContact O-N 3.43Å
506L80.9Confident77.4Confident11 Ų1182 Ų826%0.05841%0.411CS..Hα-helixtrans-59.7-46.7175.5178.159.4000111.5Q87 Q502 P503 I508 W509 Q510Q87-L506 HydrophobicContact CB-CD1 3.48Å; Q87-L506 VanDerWaalsContact CB-CD1 3.48Å; Q87-L506 HydrophobicContact CG-CD1 3.62Å; Q502-L506 PolarHBondContact O-N 3.06Å; Q502-L506 VanDerWaalsContact O-N 3.16Å; P503-L506 PolarHBondContact O-N 3.3Å; L506-I508 VanDerWaalsContact C-N 3.35Å; L506-I508 PolarHBondContact O-N 2.92Å; L506-W509 PolarHBondContact O-N 3.11Å; L506-Q510 HydrophobicContact CD1-CG 4Å; L506-Q510 HydrophobicContact CG-CG 4.37Å; L506-Q510 WeakPolarHBondContact O-CB 3.45Å; L506-Q510 WeakPolarHBondContact O-CG 3.5Å; L506-Q510 PolarHBondContact O-N 3.23Å
507F86.6Confident79.3Confident126 Ų12680.1 Ų80.155%0.55339%0.391SS*.Hα-helixtrans-57.6-43.9176.1176.8-93.7000112.5P503 Q510 N511P503-F507 VanDerWaalsContact O-CB 3.32Å; P503-F507 WeakPolarHBondContact O-CB 3.34Å; P503-F507 PolarHBondContact O-N 3.38Å; F507-Q510 PolarHBondContact O-N 3.44Å; F507-N511 VanDerWaalsContact CE2-ND2 3.31Å; F507-N511 WeakPolarHBondContact CE2-ND2 3.46Å; F507-N511 VanDerWaalsContact CZ-ND2 3.33Å; F507-N511 WeakPolarHBondContact CZ-ND2 3.15Å; F507-N511 PolarHBondContact O-N 2.83Å; F507-N511 PolarHBondContact O-ND2 3.01Å
508I88.8Confident81.5Confident93 Ų9376.1 Ų76.148%0.47736%0.363SS..Hα-helixtrans-62.1-48.7176.3-70.6161000110.6S504 V505 L506 Q510 N511 L512S504-I508 WeakPolarHBondContact O-CD1 3.29Å; S504-I508 VanDerWaalsContact O-CG1 3.3Å; S504-I508 WeakPolarHBondContact O-CG1 3.44Å; S504-I508 PolarHBondContact O-N 3.5Å; V505-I508 PolarHBondContact O-N 2.78Å; L506-I508 VanDerWaalsContact C-N 3.35Å; L506-I508 PolarHBondContact O-N 2.92Å; I508-Q510 PolarHBondContact O-N 3.25Å; I508-N511 PolarHBondContact O-N 2.94Å; I508-L512 HydrophobicContact CG2-CD1 3.76Å; I508-L512 HydrophobicContact CG2-CG 4.29Å; I508-L512 WeakPolarHBondContact O-CB 3.19Å; I508-L512 VanDerWaalsContact O-CG 3.26Å; I508-L512 WeakPolarHBondContact O-CG 3.42Å; I508-L512 PolarHBondContact O-N 3.49Å
509W88Confident83.2Confident96 Ų9670.2 Ų70.236%0.36435%0.349SS..Hα-helixtrans-63.2-39.9178.8-79.3106.9000112.9V84 F88 V505 L506 L512 G513V84-W509 HydrophobicContact CG1-CD2 4.41Å; V84-W509 HydrophobicContact CG1-CG 4.15Å; F88-W509 HydrophobicContact CB-CE3 4.18Å; F88-W509 AromaticContact CD2-CE3 3.73Å; F88-W509 HydrophobicContact CD2-CE3 3.73Å; F88-W509 HydrophobicContact CD2-CZ3 4.26Å; F88-W509 WeakPolarHBondContact CD2-O 3.46Å; F88-W509 HydrophobicContact CE2-CE3 4.31Å; F88-W509 HydrophobicContact CE2-CZ3 4.49Å; F88-W509 AromaticContact CG-CE3 3.99Å; F88-W509 HydrophobicContact CG-CE3 3.99Å; F88-W509 HydrophobicContact CG-CZ3 4.47Å; V505-W509 PolarHBondContact O-N 3.43Å; L506-W509 PolarHBondContact O-N 3.11Å; W509-L512 PolarHBondContact O-N 3.5Å; W509-G513 PolarHBondContact O-N 3.34Å
510Q90.1Very high84.9Confident21 Ų2161.2 Ų61.210%0.09832%0.318CS..Hα-helixtrans-64.4-45.4176-71.7174.8-2500111.8A91 L489 L506 F507 I508 L512 G513 I514A91-Q510 HydrophobicContact CB-CB 4.27Å; A91-Q510 HydrophobicContact CB-CG 4.5Å; A91-Q510 VanDerWaalsContact CB-O 3.29Å; A91-Q510 WeakPolarHBondContact CB-O 3.37Å; L489-Q510 HydrophobicContact CD2-CG 4.29Å; L489-Q510 PolarHBondContact O-NE2 3.39Å; L506-Q510 HydrophobicContact CD1-CG 4Å; L506-Q510 HydrophobicContact CG-CG 4.37Å; L506-Q510 WeakPolarHBondContact O-CB 3.45Å; L506-Q510 WeakPolarHBondContact O-CG 3.5Å; L506-Q510 PolarHBondContact O-N 3.23Å; F507-Q510 PolarHBondContact O-N 3.44Å; I508-Q510 PolarHBondContact O-N 3.25Å; Q510-L512 PolarHBondContact O-N 3.49Å; Q510-G513 PolarHBondContact O-N 3.07Å; Q510-I514 PolarHBondContact O-N 3.12Å
511N92.5Very high86.5Confident63 Ų6358.6 Ų58.634%0.33730%0.3SS..Hα-helixtrans-66.4-38176.8-77.3-92.9000112F507 I508 G513 I514 I515F507-N511 VanDerWaalsContact CE2-ND2 3.31Å; F507-N511 WeakPolarHBondContact CE2-ND2 3.46Å; F507-N511 VanDerWaalsContact CZ-ND2 3.33Å; F507-N511 WeakPolarHBondContact CZ-ND2 3.15Å; F507-N511 PolarHBondContact O-N 2.83Å; F507-N511 PolarHBondContact O-ND2 3.01Å; I508-N511 PolarHBondContact O-N 2.94Å; N511-G513 VanDerWaalsContact C-N 3.33Å; N511-G513 PolarHBondContact O-N 3.45Å; N511-I514 PolarHBondContact O-N 3.4Å; N511-I515 WeakPolarHBondContact O-CB 3.49Å; N511-I515 WeakPolarHBondContact O-CD1 3.34Å; N511-I515 WeakPolarHBondContact O-CG1 3.35Å; N511-I515 PolarHBondContact O-N 3.14Å
512L93.4Very high87.9Confident87 Ų8760.6 Ų60.646%0.45531%0.311SS..Hα-helixtrans-62.2-38.9173.7-74.4172.8000112.2F88 I508 W509 Q510 L516F88-L512 HydrophobicContact CE2-CB 4.4Å; I508-L512 HydrophobicContact CG2-CD1 3.76Å; I508-L512 HydrophobicContact CG2-CG 4.29Å; I508-L512 WeakPolarHBondContact O-CB 3.19Å; I508-L512 VanDerWaalsContact O-CG 3.26Å; I508-L512 WeakPolarHBondContact O-CG 3.42Å; I508-L512 PolarHBondContact O-N 3.49Å; W509-L512 PolarHBondContact O-N 3.5Å; Q510-L512 PolarHBondContact O-N 3.49Å; L512-L516 WeakPolarHBondContact O-CB 3.36Å; L512-L516 PolarHBondContact O-N 3.02Å
513G92.8Very high88.9Confident0 Ų060 Ų600%031%0.311CS..Hα-helixtrans-61.2-56.3173.900000111.5A91 L92 W509 Q510 N511 I515 L516 G517A91-G513 CarbonylContact O-C 3.55Å; L92-G513 WeakPolarHBondContact CA-O 3.31Å; W509-G513 PolarHBondContact O-N 3.34Å; Q510-G513 PolarHBondContact O-N 3.07Å; N511-G513 VanDerWaalsContact C-N 3.33Å; N511-G513 PolarHBondContact O-N 3.45Å; G513-I515 PolarHBondContact O-N 3.32Å; G513-L516 PolarHBondContact O-N 2.94Å; G513-L516 VanDerWaalsContact O-N 3.16Å; G513-G517 PolarHBondContact O-N 3.1Å
514I93.5Very high89.3Confident32 Ų3257.4 Ų57.416%0.16429%0.293CS..Hα-helixtrans-57.6-47.2-179.2-68.5165.7000111.4A91 V94 L489 Q510 N511 L516 G517 Y518A91-I514 HydrophobicContact CB-CG1 4.1Å; A91-I514 VanDerWaalsContact O-CA 3.28Å; A91-I514 WeakPolarHBondContact O-CA 3.39Å; A91-I514 VanDerWaalsContact O-CG1 3.27Å; A91-I514 WeakPolarHBondContact O-CG1 3.42Å; A91-I514 PolarHBondContact O-N 3.11Å; V94-I514 HydrophobicContact CB-CG1 4.49Å; V94-I514 HydrophobicContact CG1-CG1 4.31Å; L489-I514 HydrophobicContact CD1-CD1 4.25Å; Q510-I514 PolarHBondContact O-N 3.12Å; N511-I514 PolarHBondContact O-N 3.4Å; I514-L516 PolarHBondContact O-N 3.08Å; I514-G517 PolarHBondContact O-N 3.07Å; I514-Y518 HydrophobicContact CG2-CD2 3.82Å; I514-Y518 HydrophobicContact CG2-CE2 3.31Å; I514-Y518 WeakPolarHBondContact O-CD2 3.48Å; I514-Y518 PolarHBondContact O-N 3.38Å
515I95.1Very high89.4Confident94 Ų9455 Ų5548%0.48228%0.277SS..Hα-helixtrans-64.1-41.8179.2-67.9166.6000110.8N511 G513 G517 Y518 C519N511-I515 WeakPolarHBondContact O-CB 3.49Å; N511-I515 WeakPolarHBondContact O-CD1 3.34Å; N511-I515 WeakPolarHBondContact O-CG1 3.35Å; N511-I515 PolarHBondContact O-N 3.14Å; G513-I515 PolarHBondContact O-N 3.32Å; I515-G517 VanDerWaalsContact C-N 3.33Å; I515-G517 PolarHBondContact O-N 2.85Å; I515-Y518 PolarHBondContact O-N 3.01Å; I515-C519 WeakPolarHBondContact O-CB 3.47Å; I515-C519 PolarHBondContact O-N 2.87Å; I515-C519 PolarHBondContact O-SG 3.48Å
516L93.8Very high89.5Confident78 Ų7859.4 Ų59.441%0.40829%0.293SS..Hα-helixtrans-63.7-39.8176.6-177.860.9000111.5F88 L92 L512 G513 I514 C519 I520F88-L516 HydrophobicContact CE2-CD2 4.49Å; F88-L516 HydrophobicContact CZ-CD2 3.85Å; L92-L516 HydrophobicContact CD1-CB 3.78Å; L92-L516 HydrophobicContact CD1-CD2 3.8Å; L92-L516 HydrophobicContact CD1-CG 3.69Å; L512-L516 WeakPolarHBondContact O-CB 3.36Å; L512-L516 PolarHBondContact O-N 3.02Å; G513-L516 PolarHBondContact O-N 2.94Å; G513-L516 VanDerWaalsContact O-N 3.16Å; I514-L516 PolarHBondContact O-N 3.08Å; L516-C519 PolarHBondContact O-N 2.85Å; L516-I520 HydrophobicContact CD1-CD1 4.39Å; L516-I520 HydrophobicContact CD1-CG1 4.43Å; L516-I520 HydrophobicContact CG-CD1 4.05Å; L516-I520 VanDerWaalsContact O-CG1 3.29Å; L516-I520 WeakPolarHBondContact O-CG1 3.45Å; L516-I520 PolarHBondContact O-N 2.9Å
517G92.1Very high89.4Confident0 Ų064.4 Ų64.40%031%0.312CS..Hα-helixtrans-60.2-50.4175.100000111.6G513 I514 I515 C519 I520 M521G513-G517 PolarHBondContact O-N 3.1Å; I514-G517 PolarHBondContact O-N 3.07Å; I515-G517 VanDerWaalsContact C-N 3.33Å; I515-G517 PolarHBondContact O-N 2.85Å; G517-C519 VanDerWaalsContact C-N 3.32Å; G517-C519 PolarHBondContact O-N 2.76Å; G517-I520 PolarHBondContact O-N 2.69Å; G517-M521 WeakPolarHBondContact O-CG 3.32Å; G517-M521 PolarHBondContact O-N 3.39Å; G517-M521 VanDerWaalsContact O-N 3.07Å
518Y92.7Very high88.5Confident96 Ų9659.5 Ų59.538%0.37629%0.291SS..Hα-helixtrans-59.6-40.2173.9-67.4-37.7000112.9G95 A98 I514 I515 M521 L522G95-Y518 WeakPolarHBondContact O-CD1 3.5Å; G95-Y518 VanDerWaalsContact O-CE1 3.31Å; G95-Y518 WeakPolarHBondContact O-CE1 3.2Å; A98-Y518 HydrophobicContact CB-CE1 3.98Å; I514-Y518 HydrophobicContact CG2-CD2 3.82Å; I514-Y518 HydrophobicContact CG2-CE2 3.31Å; I514-Y518 WeakPolarHBondContact O-CD2 3.48Å; I514-Y518 PolarHBondContact O-N 3.38Å; I515-Y518 PolarHBondContact O-N 3.01Å; Y518-M521 PolarHBondContact O-N 3.42Å; Y518-L522 WeakPolarHBondContact O-CB 3.46Å; Y518-L522 PolarHBondContact O-N 2.76Å
519C92.6Very high87.1Confident58 Ų5861.8 Ų61.839%0.39230%0.297SS..Hα-helixtrans-64.9-39.3176.8-74.10000112.4I515 L516 G517 L523I515-C519 WeakPolarHBondContact O-CB 3.47Å; I515-C519 PolarHBondContact O-N 2.87Å; I515-C519 PolarHBondContact O-SG 3.48Å; L516-C519 PolarHBondContact O-N 2.85Å; G517-C519 VanDerWaalsContact C-N 3.32Å; G517-C519 PolarHBondContact O-N 2.76Å; C519-L523 WeakPolarHBondContact O-CB 3.31Å; C519-L523 WeakPolarHBondContact O-CD1 3.43Å; C519-L523 WeakPolarHBondContact O-CG 3.32Å; C519-L523 PolarHBondContact O-N 2.7Å
520I89.5Confident85.6Confident41 Ų4162.8 Ų62.821%0.2131%0.306CS..Hα-helixtrans-60.7-51.3174.8-71163.2000109.6L92 P419 L516 G517 L522 L523 I524L92-I520 HydrophobicContact CD1-CD1 4.2Å; P419-I520 HydrophobicContact CG-CD1 4.26Å; L516-I520 HydrophobicContact CD1-CD1 4.39Å; L516-I520 HydrophobicContact CD1-CG1 4.43Å; L516-I520 HydrophobicContact CG-CD1 4.05Å; L516-I520 VanDerWaalsContact O-CG1 3.29Å; L516-I520 WeakPolarHBondContact O-CG1 3.45Å; L516-I520 PolarHBondContact O-N 2.9Å; G517-I520 PolarHBondContact O-N 2.69Å; I520-L522 PolarHBondContact O-N 2.86Å; I520-L523 PolarHBondContact O-N 3.41Å; I520-I524 HydrophobicContact CG2-CD1 3.83Å; I520-I524 WeakPolarHBondContact O-CG1 3.19Å; I520-I524 PolarHBondContact O-N 3.35Å
521M89.1Confident83.8Confident1 Ų167.3 Ų67.31%0.00533%0.326CS..Hα-helixtrans-65.7-38.9-179.1-57.6-44.4-52.500113.2S96 D100 L103 H416 G517 Y518 L523 I524 A525S96-M521 WeakPolarHBondContact O-CG 3.34Å; D100-M521 HydrophobicContact CB-CE 3.65Å; D100-M521 HydrophobicContact CB-SD 4.41Å; D100-M521 WeakPolarHBondContact OD1-CE 3.29Å; L103-M521 HydrophobicContact CD1-CB 4.26Å; H416-M521 HydrophobicContact CB-CE 3.66Å; H416-M521 HydrophobicContact CB-SD 3.43Å; H416-M521 WeakPolarHBondContact CB-SD 3.46Å; G517-M521 WeakPolarHBondContact O-CG 3.32Å; G517-M521 PolarHBondContact O-N 3.39Å; G517-M521 VanDerWaalsContact O-N 3.07Å; Y518-M521 PolarHBondContact O-N 3.42Å; M521-L523 VanDerWaalsContact C-N 3.34Å; M521-L523 PolarHBondContact O-N 2.8Å; M521-I524 HydrophobicContact CE-CD1 4.03Å; M521-I524 PolarHBondContact O-N 3.18Å; M521-I524 HydrophobicContact SD-CD1 4.09Å; M521-A525 WeakPolarHBondContact O-CB 3.28Å; M521-A525 PolarHBondContact O-N 3.05Å
522L89.8Confident81.7Confident75 Ų7569.3 Ų69.339%0.39334%0.335SS..Hα-helixtrans-64.3-39.7176.7-173.567.5000111.5L103 Y518 I520 F526L103-L522 HydrophobicContact CD1-CB 4.01Å; L103-L522 HydrophobicContact CD1-CD1 4.04Å; L103-L522 HydrophobicContact CD2-CD1 4.5Å; Y518-L522 WeakPolarHBondContact O-CB 3.46Å; Y518-L522 PolarHBondContact O-N 2.76Å; I520-L522 PolarHBondContact O-N 2.86Å; L522-F526 HydrophobicContact CD1-CD2 4.07Å; L522-F526 HydrophobicContact CD1-CE2 3.6Å; L522-F526 HydrophobicContact CD1-CZ 4.41Å; L522-F526 HydrophobicContact CD2-CE2 4.27Å; L522-F526 HydrophobicContact CG-CD2 3.92Å; L522-F526 HydrophobicContact CG-CE2 3.71Å; L522-F526 WeakPolarHBondContact O-CD2 3.31Å; L522-F526 PolarHBondContact O-N 2.79Å; L522-F526 VanDerWaalsContact O-N 3.09Å
523L88.4Confident79.2Confident97 Ų9769 Ų6951%0.50834%0.341SS..Hα-helixtrans-64.5-46.1174.2-73.3166.1000111.1C519 I520 M521 A525 F526 Y527C519-L523 WeakPolarHBondContact O-CB 3.31Å; C519-L523 WeakPolarHBondContact O-CD1 3.43Å; C519-L523 WeakPolarHBondContact O-CG 3.32Å; C519-L523 PolarHBondContact O-N 2.7Å; I520-L523 PolarHBondContact O-N 3.41Å; M521-L523 VanDerWaalsContact C-N 3.34Å; M521-L523 PolarHBondContact O-N 2.8Å; L523-A525 PolarHBondContact O-N 3.35Å; L523-F526 PolarHBondContact O-N 2.78Å; L523-Y527 HydrophobicContact CD2-CD2 4.48Å; L523-Y527 HydrophobicContact CD2-CE2 3.96Å; L523-Y527 VanDerWaalsContact O-CD2 3.23Å; L523-Y527 WeakPolarHBondContact O-CD2 3.33Å; L523-Y527 PolarHBondContact O-N 2.99Å
524I84Confident76.5Confident21 Ų2177.6 Ų77.611%0.10838%0.381CS..Hα-helixtrans-56.6-52.7176.3-66.9164000110.2A412 C415 H416 I520 M521 F526 Y527 E528A412-I524 HydrophobicContact CB-CG2 3.68Å; C415-I524 HydrophobicContact CB-CD1 3.72Å; C415-I524 HydrophobicContact CB-CG1 4.29Å; H416-I524 HydrophobicContact CB-CD1 4.36Å; I520-I524 HydrophobicContact CG2-CD1 3.83Å; I520-I524 WeakPolarHBondContact O-CG1 3.19Å; I520-I524 PolarHBondContact O-N 3.35Å; M521-I524 HydrophobicContact CE-CD1 4.03Å; M521-I524 PolarHBondContact O-N 3.18Å; M521-I524 HydrophobicContact SD-CD1 4.09Å; I524-F526 VanDerWaalsContact C-N 3.3Å; I524-F526 PolarHBondContact O-N 3.27Å; I524-Y527 PolarHBondContact O-N 2.95Å; I524-Y527 VanDerWaalsContact O-N 3.17Å; I524-E528 WeakPolarHBondContact O-CB 3.38Å; I524-E528 PolarHBondContact O-N 3Å
525A82.4Confident75.6Confident18 Ų1879.9 Ų79.915%0.14939%0.392CS..Hα-helixtrans-61.8-31.3-178.200000114L103 M521 L523L103-A525 HydrophobicContact CB-CB 4.2Å; L103-A525 WeakPolarHBondContact O-CB 3.33Å; M521-A525 WeakPolarHBondContact O-CB 3.28Å; M521-A525 PolarHBondContact O-N 3.05Å; L523-A525 PolarHBondContact O-N 3.35Å
526F82.8Confident74.6Confident140 Ų14079.2 Ų79.261%0.61439%0.387SS*.Hα-helixtrans-74.7-43.7172.8-84.1-59.1000112.7L522 L523 I524L522-F526 HydrophobicContact CD1-CD2 4.07Å; L522-F526 HydrophobicContact CD1-CE2 3.6Å; L522-F526 HydrophobicContact CD1-CZ 4.41Å; L522-F526 HydrophobicContact CD2-CE2 4.27Å; L522-F526 HydrophobicContact CG-CD2 3.92Å; L522-F526 HydrophobicContact CG-CE2 3.71Å; L522-F526 WeakPolarHBondContact O-CD2 3.31Å; L522-F526 PolarHBondContact O-N 2.79Å; L522-F526 VanDerWaalsContact O-N 3.09Å; L523-F526 PolarHBondContact O-N 2.78Å; I524-F526 VanDerWaalsContact C-N 3.3Å; I524-F526 PolarHBondContact O-N 3.27Å
527Y78.8Confident73.5Confident116 Ų11679.2 Ų79.246%0.45539%0.386SS..Hα-helixtrans-82.3-22.1-173.1-77.4-65.1000114.2L523 I524 F529 E530 F531L523-Y527 HydrophobicContact CD2-CD2 4.48Å; L523-Y527 HydrophobicContact CD2-CE2 3.96Å; L523-Y527 VanDerWaalsContact O-CD2 3.23Å; L523-Y527 WeakPolarHBondContact O-CD2 3.33Å; L523-Y527 PolarHBondContact O-N 2.99Å; I524-Y527 PolarHBondContact O-N 2.95Å; I524-Y527 VanDerWaalsContact O-N 3.17Å; Y527-F529 VanDerWaalsContact C-N 3.29Å; Y527-F529 PolarHBondContact O-N 2.59Å; Y527-E530 HydrophobicContact CD1-CB 4.48Å; Y527-E530 VanDerWaalsContact CD1-OE2 3.25Å; Y527-E530 WeakPolarHBondContact CD1-OE2 3.48Å; Y527-E530 VanDerWaalsContact CE1-OE2 3.26Å; Y527-E530 WeakPolarHBondContact CE1-OE2 3.49Å; Y527-E530 WeakPolarHBondContact O-CA 3.48Å; Y527-E530 PolarHBondContact O-N 2.64Å; Y527-F531 WeakPolarHBondContact O-CD2 3.5Å; Y527-F531 PolarHBondContact O-N 2.91Å
528E68Low72.4Confident23 Ų2383.9 Ų83.911%0.10741%0.408CS..Hα-helixtrans-55.5-42.5178.4-174.4173.5-140.800112.4H104 I524 F531 L532H104-E528 IonicContact CD2-OE1 3.27Å; H104-E528 IonicContact CD2-OE2 3.34Å; H104-E528 PolarHBondContact CD2-OE2 2.86Å; H104-E528 IonicContact CE1-OE1 3.86Å; H104-E528 VanDerWaalsContact NE2-CD 3.26Å; H104-E528 IonicContact NE2-OE1 3.81Å; H104-E528 PolarHBondContact NE2-OE1 3.36Å; H104-E528 IonicContact NE2-OE2 3.99Å; H104-E528 PolarHBondContact NE2-OE2 2.75Å; I524-E528 WeakPolarHBondContact O-CB 3.38Å; I524-E528 PolarHBondContact O-N 3Å; E528-F531 PolarHBondContact O-N 2.87Å; E528-L532 HydrophobicContact CG-CD1 4.42Å; E528-L532 WeakPolarHBondContact O-CG 3.34Å; E528-L532 PolarHBondContact O-N 2.86Å; E528-L532 VanDerWaalsContact O-N 3.1Å
529F60.4Low71.2Confident141 Ų14183.1 Ų83.162%0.61841%0.41SS*.Hα-helixtrans-67.3-34.2174.1-73.8-78.9000113.3Y527 S533Y527-F529 VanDerWaalsContact C-N 3.29Å; Y527-F529 PolarHBondContact O-N 2.59Å; F529-S533 PolarHBondContact O-N 3.41Å
530E56.3Low69.7Low117 Ų11784.8 Ų84.855%0.54741%0.412SS..Hα-helixtrans-68.2-41.7174.6-67.2-167.4167.800110.9Y527 L532 S533Y527-E530 HydrophobicContact CD1-CB 4.48Å; Y527-E530 VanDerWaalsContact CD1-OE2 3.25Å; Y527-E530 WeakPolarHBondContact CD1-OE2 3.48Å; Y527-E530 VanDerWaalsContact CE1-OE2 3.26Å; Y527-E530 WeakPolarHBondContact CE1-OE2 3.49Å; Y527-E530 WeakPolarHBondContact O-CA 3.48Å; Y527-E530 PolarHBondContact O-N 2.64Å; E530-L532 VanDerWaalsContact C-N 3.31Å; E530-L532 PolarHBondContact O-N 2.9Å; E530-S533 PolarHBondContact O-N 3.07Å; E530-S533 VanDerWaalsContact O-N 3.1Å; E530-S533 PolarHBondContact O-OG 3.4Å
531F52.1Low68.3Low116 Ų11687.9 Ų87.951%0.50943%0.426SS..Hα-helixtrans-63.5-31.3175.8-80.8-67.8000113.8S408 Y527 E528 S533S408-F531 VanDerWaalsContact OG-CB 3.22Å; S408-F531 WeakPolarHBondContact OG-CB 3.38Å; Y527-F531 WeakPolarHBondContact O-CD2 3.5Å; Y527-F531 PolarHBondContact O-N 2.91Å; E528-F531 PolarHBondContact O-N 2.87Å; F531-S533 VanDerWaalsContact C-N 3.3Å
532L48.3Very low66.7Low104 Ų10494.6 Ų94.655%0.54546%0.458SS..Hα-helixtrans-76.9-13.9174.9-72165.9000113.5E528 E530E528-L532 HydrophobicContact CG-CD1 4.42Å; E528-L532 WeakPolarHBondContact O-CG 3.34Å; E528-L532 PolarHBondContact O-N 2.86Å; E528-L532 VanDerWaalsContact O-N 3.1Å; E530-L532 VanDerWaalsContact C-N 3.31Å; E530-L532 PolarHBondContact O-N 2.9Å
533S40.1Very low64.8Low82 Ų8296.3 Ų96.357%0.57346%0.464SS*.THydrogen-bonded Turntrans-98.61.5-172.973.10000115.6F529 E530 F531F529-S533 PolarHBondContact O-N 3.41Å; E530-S533 PolarHBondContact O-N 3.07Å; E530-S533 VanDerWaalsContact O-N 3.1Å; E530-S533 PolarHBondContact O-OG 3.4Å; F531-S533 VanDerWaalsContact C-N 3.3Å
534H36Very low62.7Low180 Ų18096.2 Ų96.283%0.83346%0.46SS*.  trans-137.50-171.7-83.2-40.4000115R404R404-H534 PolarHBondContact NH1-O 3.16Å; R404-H534 PolarHBondContact NH1-OXT 3.4Å

Retrieved 534 of 534 residues in 177.7 ms (Link to these results)