A0A087Y4B1_POEFO Loading...

Adenosine monophosphate deaminase 1 (isoform M)

AlphaFold DB , UniProt , Accession A0A087Y4B1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 588 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
1K30Very low41.3Very low266 Ų266148.1 Ų148.1100%1.15773%0.728SS**  0166.40-80.6173.7174.3173.30108.2
2R28.3Very low43.9Very low249 Ų249145.3 Ų145.394%0.9472%0.719SS**PPolyproline II helixtrans-57138.9-173.5-74.2178.8173.1165-3.3111.9
3L34.1Very low46.3Very low178 Ų178136.7 Ų136.793%0.93268%0.676SS**PPolyproline II helixtrans-63.4129.7161.8-74134.9000108.9
4S32.2Very low48.3Very low111 Ų111129.9 Ų129.978%0.77664%0.639SS**PPolyproline II helixtrans-77.9152.7166.4430000110.2
5R33.7Very low50.3Low225 Ų225125.1 Ų125.185%0.84963%0.628SS**PPolyproline II helixtrans-66.2157.4164.9-70.3179176.9173.8-2.6109.6
6P37.5Very low52.2Low103 Ų103123.1 Ų123.167%0.66961%0.614SS**PPolyproline II helixtrans-56.9149.1167.525.8-34.8000110.4
7T41.9Very low53.6Low82 Ų82115.8 Ų115.850%0.50358%0.578SS.*PPolyproline II helixtrans-91.5148.2179.422.60000111.2T9 D10T7-T9 WeakPolarHBondContact CB-OG1 3.45Å; T7-T9 PolarHBondContact O-N 2.81Å; T7-D10 PolarHBondContact N-OD2 3.13Å; T7-D10 PolarHBondContact O-N 2.92Å; T7-D10 PolarHBondContact OG1-OD2 3.19Å
8E39.7Very low55.1Low166 Ų166113.2 Ų113.278%0.77656%0.564SS**Hα-helixtrans-56.2-24.2-179.1-63.2177.9128.600112.9D10 N12E8-D10 VanDerWaalsContact C-N 3.33Å; E8-D10 PolarHBondContact O-N 2.71Å; E8-N12 PolarHBondContact O-N 2.82Å; E8-N12 PolarHBondContact O-ND2 2.76Å
9T52.1Low56.4Low99 Ų99115.2 Ų115.261%0.60757%0.569SS**Hα-helixtrans-61.3-35.617236.80000113.6T7 M13T7-T9 WeakPolarHBondContact CB-OG1 3.45Å; T7-T9 PolarHBondContact O-N 2.81Å; T9-M13 VanDerWaalsContact O-CB 3.26Å; T9-M13 WeakPolarHBondContact O-CB 3.41Å; T9-M13 PolarHBondContact O-N 3.47Å
10D58.1Low57.4Low51 Ų51110.2 Ų110.227%0.27355%0.545SS..Hα-helixtrans-78.3-39.2-176.1-57.1-66.9000111.6T7 E8 M13 R14T7-D10 PolarHBondContact N-OD2 3.13Å; T7-D10 PolarHBondContact O-N 2.92Å; T7-D10 PolarHBondContact OG1-OD2 3.19Å; E8-D10 VanDerWaalsContact C-N 3.33Å; E8-D10 PolarHBondContact O-N 2.71Å; D10-M13 PolarHBondContact O-N 3Å; D10-R14 WeakPolarHBondContact O-CB 3.33Å; D10-R14 PolarHBondContact O-N 3.44Å
11D66.9Low58.2Low99 Ų99106.1 Ų106.153%0.52952%0.524SS..Hα-helixtrans-63.9-40.4173.8-75.9-40.5000111.6R14 A15D11-R14 PolarHBondContact O-N 3.11Å; D11-A15 WeakPolarHBondContact O-CB 3.3Å; D11-A15 PolarHBondContact O-N 3.45Å
12N72.4Confident60.3Low115 Ų11595.4 Ų95.462%0.61549%0.485SS*.Hα-helixtrans-66.2-42173.8-79.7-67.7000112.2E8 R14 A15 F16E8-N12 PolarHBondContact O-N 2.82Å; E8-N12 PolarHBondContact O-ND2 2.76Å; N12-R14 VanDerWaalsContact C-N 3.34Å; N12-A15 PolarHBondContact O-N 3.11Å; N12-F16 WeakPolarHBondContact O-CB 3.4Å; N12-F16 PolarHBondContact O-N 3.18Å
13M75.6Confident62.2Low33 Ų3386.1 Ų86.116%0.16346%0.458CS..Hα-helixtrans-61.8-41.8175.4-179176.668.700111.7T9 D10 F16 A17 F226 A229T9-M13 VanDerWaalsContact O-CB 3.26Å; T9-M13 WeakPolarHBondContact O-CB 3.41Å; T9-M13 PolarHBondContact O-N 3.47Å; D10-M13 PolarHBondContact O-N 3Å; M13-F16 PolarHBondContact O-N 2.88Å; M13-A17 PolarHBondContact O-N 2.61Å; M13-F226 HydrophobicContact CE-CB 3.99Å; M13-F226 HydrophobicContact SD-CB 3.78Å; M13-F226 HydrophobicContact SD-CD2 3.85Å; M13-F226 HydrophobicContact SD-CG 4.33Å; M13-A229 HydrophobicContact CG-CB 3.85Å
14R74.1Confident63.6Low42 Ų4279.4 Ų79.416%0.15842%0.422CS..Hα-helixtrans-63.2-48.1174.5179.1179.3-178.6145.45.9112D10 D11 N12 F16 A17 E18 T505D10-R14 WeakPolarHBondContact O-CB 3.33Å; D10-R14 PolarHBondContact O-N 3.44Å; D11-R14 PolarHBondContact O-N 3.11Å; N12-R14 VanDerWaalsContact C-N 3.34Å; R14-F16 PolarHBondContact O-N 3.47Å; R14-A17 PolarHBondContact O-N 3.48Å; R14-A17 VanDerWaalsContact O-N 3.15Å; R14-E18 HydrophobicContact CG-CG 4.4Å; R14-E18 IonicContact CZ-OE1 3.63Å; R14-E18 IonicContact NE-OE1 3.21Å; R14-E18 PolarHBondContact NE-OE1 3.28Å; R14-E18 IonicContact NH2-OE1 2.74Å; R14-E18 WeakPolarHBondContact O-CB 3.33Å; R14-E18 WeakPolarHBondContact O-CG 3.46Å; R14-E18 PolarHBondContact O-N 2.89Å; R14-T505 PolarHBondContact NH1-OG1 3.41Å; R14-T505 PolarHBondContact NH2-OG1 3.37Å
15A77.6Confident64.9Low58 Ų5875.2 Ų75.248%0.47939%0.392SS..Hα-helixtrans-60.8-34.7177.500000112.3D11 N12 K19D11-A15 WeakPolarHBondContact O-CB 3.3Å; D11-A15 PolarHBondContact O-N 3.45Å; N12-A15 PolarHBondContact O-N 3.11Å; A15-K19 WeakPolarHBondContact O-CB 3.36Å; A15-K19 PolarHBondContact O-N 3.13Å; A15-K19 VanDerWaalsContact O-N 3.13Å
16F80.3Confident65.9Low92 Ų9270.8 Ų70.840%0.40438%0.379SS..Hα-helixtrans-68.4-44.8172.4-176.9-109.4000112.3N12 M13 R14 K19 V20 A229 A232N12-F16 WeakPolarHBondContact O-CB 3.4Å; N12-F16 PolarHBondContact O-N 3.18Å; M13-F16 PolarHBondContact O-N 2.88Å; R14-F16 PolarHBondContact O-N 3.47Å; F16-K19 WeakPolarHBondContact O-CB 3.19Å; F16-K19 PolarHBondContact O-N 2.69Å; F16-V20 HydrophobicContact CD1-CG2 4.3Å; F16-V20 HydrophobicContact CE1-CG2 4.01Å; F16-V20 HydrophobicContact CE2-CG2 4.36Å; F16-V20 HydrophobicContact CZ-CG2 4.03Å; F16-V20 WeakPolarHBondContact O-CG2 3.33Å; F16-V20 PolarHBondContact O-N 2.78Å; F16-A229 HydrophobicContact CD1-CB 3.85Å; F16-A229 HydrophobicContact CE1-CB 4.31Å; F16-A232 HydrophobicContact CE1-CB 3.74Å; F16-A232 HydrophobicContact CZ-CB 3.88Å
17A77.4Confident66.4Low0 Ų070.3 Ų70.30%037%0.371CS..Hα-helixtrans-62.1-43.5175.800000112.8M13 R14 K19 V20 F21 N225 I228M13-A17 PolarHBondContact O-N 2.61Å; R14-A17 PolarHBondContact O-N 3.48Å; R14-A17 VanDerWaalsContact O-N 3.15Å; A17-K19 VanDerWaalsContact C-N 3.26Å; A17-K19 PolarHBondContact O-N 3.49Å; A17-V20 PolarHBondContact O-N 2.86Å; A17-F21 PolarHBondContact O-N 2.99Å; A17-F21 VanDerWaalsContact O-N 3.13Å; A17-N225 HydrophobicContact CB-CB 4.18Å; A17-I228 HydrophobicContact CB-CB 3.93Å; A17-I228 HydrophobicContact CB-CG2 3.75Å
18E79.5Confident66.7Low68 Ų6869.1 Ų69.132%0.31836%0.36SS..Hα-helixtrans-59.7-36.3173.9-72.1-178.7-166.800111.1R14 A22 M502R14-E18 HydrophobicContact CG-CG 4.4Å; R14-E18 IonicContact CZ-OE1 3.63Å; R14-E18 IonicContact NE-OE1 3.21Å; R14-E18 PolarHBondContact NE-OE1 3.28Å; R14-E18 IonicContact NH2-OE1 2.74Å; R14-E18 WeakPolarHBondContact O-CB 3.33Å; R14-E18 WeakPolarHBondContact O-CG 3.46Å; R14-E18 PolarHBondContact O-N 2.89Å; E18-A22 WeakPolarHBondContact O-CB 3.38Å; E18-A22 PolarHBondContact O-N 3.23Å; E18-M502 HydrophobicContact CG-CE 4.23Å; E18-M502 HydrophobicContact CG-SD 3.91Å
19K79.9Confident66.6Low151 Ų15168.7 Ų68.766%0.65736%0.358SS*.Hα-helixtrans-69.9-43.7173.8-176-178.4176.7-175.50113.3A15 F16 A17 A22 S23A15-K19 WeakPolarHBondContact O-CB 3.36Å; A15-K19 PolarHBondContact O-N 3.13Å; A15-K19 VanDerWaalsContact O-N 3.13Å; F16-K19 WeakPolarHBondContact O-CB 3.19Å; F16-K19 PolarHBondContact O-N 2.69Å; A17-K19 VanDerWaalsContact C-N 3.26Å; A17-K19 PolarHBondContact O-N 3.49Å; K19-A22 CarbonylContact O-C 3.41Å; K19-A22 PolarHBondContact O-N 2.7Å; K19-S23 PolarHBondContact O-N 2.74Å; K19-S23 PolarHBondContact O-OG 2.78Å
20V76.4Confident65.7Low16 Ų1669.9 Ų69.910%0.09736%0.364CS..Hα-helixtrans-59.8-49.1-179.6167.30000110.9F16 A17 A22 S23 E24 I228 A232F16-V20 HydrophobicContact CD1-CG2 4.3Å; F16-V20 HydrophobicContact CE1-CG2 4.01Å; F16-V20 HydrophobicContact CE2-CG2 4.36Å; F16-V20 HydrophobicContact CZ-CG2 4.03Å; F16-V20 WeakPolarHBondContact O-CG2 3.33Å; F16-V20 PolarHBondContact O-N 2.78Å; A17-V20 PolarHBondContact O-N 2.86Å; V20-A22 VanDerWaalsContact C-N 3.28Å; V20-A22 PolarHBondContact O-N 3.47Å; V20-S23 PolarHBondContact O-N 3.31Å; V20-S23 PolarHBondContact O-OG 3.23Å; V20-E24 PolarHBondContact O-N 3.49Å; V20-E24 VanDerWaalsContact O-N 3.12Å; V20-I228 HydrophobicContact CB-CG2 4Å; V20-I228 HydrophobicContact CG1-CG2 3.86Å; V20-A232 HydrophobicContact CB-CB 4.43Å; V20-A232 HydrophobicContact CG1-CB 4.04Å; V20-A232 HydrophobicContact CG2-CB 3.5Å; V20-A232 VanDerWaalsContact CG2-CB 3.5Å
21F74.3Confident64.8Low25 Ų2574 Ų7411%0.1138%0.376CS..Hα-helixtrans-59.2-39175.2-172.5-89.6000112.2A17 S23 E24 T25 M502 T560A17-F21 PolarHBondContact O-N 2.99Å; A17-F21 VanDerWaalsContact O-N 3.13Å; F21-S23 PolarHBondContact O-N 2.81Å; F21-E24 PolarHBondContact O-N 3.32Å; F21-T25 HydrophobicContact CD1-CG2 3.82Å; F21-T25 HydrophobicContact CE1-CG2 3.52Å; F21-T25 HydrophobicContact CE2-CG2 4.41Å; F21-T25 HydrophobicContact CG-CG2 4.39Å; F21-T25 HydrophobicContact CZ-CG2 3.85Å; F21-T25 WeakPolarHBondContact O-CB 3.13Å; F21-T25 WeakPolarHBondContact O-CG2 3.48Å; F21-T25 PolarHBondContact O-N 2.9Å; F21-T25 VanDerWaalsContact O-N 3.08Å; F21-T25 PolarHBondContact O-OG1 2.68Å; F21-M502 HydrophobicContact CB-CE 3.42Å; F21-M502 VanDerWaalsContact CB-CE 3.42Å; F21-M502 HydrophobicContact CD1-CB 3.89Å; F21-M502 HydrophobicContact CD1-CE 4.32Å; F21-M502 HydrophobicContact CD2-CE 4.12Å; F21-M502 HydrophobicContact CE1-CB 3.73Å; F21-M502 HydrophobicContact CE2-CB 4.41Å; F21-M502 HydrophobicContact CG-CB 4.31Å; F21-M502 HydrophobicContact CG-CE 3.72Å; F21-M502 HydrophobicContact CG-CG 4.49Å; F21-M502 HydrophobicContact CZ-CB 4.01Å; F21-T560 HydrophobicContact CD2-CG2 3.85Å; F21-T560 HydrophobicContact CE2-CG2 4.25Å
22A73.6Confident63.1Low41 Ų4176.9 Ų76.934%0.33939%0.392SS..Hα-helixtrans-72.7-5.9176.800000114.8E18 K19 V20 K26E18-A22 WeakPolarHBondContact O-CB 3.38Å; E18-A22 PolarHBondContact O-N 3.23Å; K19-A22 CarbonylContact O-C 3.41Å; K19-A22 PolarHBondContact O-N 2.7Å; V20-A22 VanDerWaalsContact C-N 3.28Å; V20-A22 PolarHBondContact O-N 3.47Å; A22-K26 VanDerWaalsContact O-CD 3.23Å; A22-K26 WeakPolarHBondContact O-CD 3.47Å; A22-K26 VanDerWaalsContact O-CE 3.22Å; A22-K26 WeakPolarHBondContact O-CE 3.4Å; A22-K26 WeakPolarHBondContact O-CG 3.07Å
23S68.9Low61.3Low53 Ų5377.2 Ų77.237%0.37139%0.389SS..Hα-helixtrans-92.2-51.3163.122.90000112.2K19 V20 F21 T25 K26 D27K19-S23 PolarHBondContact O-N 2.74Å; K19-S23 PolarHBondContact O-OG 2.78Å; V20-S23 PolarHBondContact O-N 3.31Å; V20-S23 PolarHBondContact O-OG 3.23Å; F21-S23 PolarHBondContact O-N 2.81Å; S23-T25 VanDerWaalsContact C-N 3.3Å; S23-T25 PolarHBondContact O-N 3.26Å; S23-K26 WeakPolarHBondContact O-CB 3.33Å; S23-K26 PolarHBondContact O-N 3.39Å; S23-D27 PolarHBondContact O-N 3.34Å
24E63.9Low59Low38 Ų3882.2 Ų82.218%0.17842%0.415CS..Hα-helixtrans-55.3-45.4-178.6-67.6-175.4167.400111.6V20 F21 K26 D27 E28V20-E24 PolarHBondContact O-N 3.49Å; V20-E24 VanDerWaalsContact O-N 3.12Å; F21-E24 PolarHBondContact O-N 3.32Å; E24-K26 PolarHBondContact O-N 2.98Å; E24-K26 VanDerWaalsContact O-N 3.11Å; E24-D27 PolarHBondContact O-N 3.18Å; E24-E28 PolarHBondContact O-N 3.49Å
25T59.7Low56.9Low23 Ų2382.9 Ų82.914%0.14143%0.426CS..Hα-helixtrans-66.3-6.917754.20000115.4F21 S23 Q29 H498F21-T25 HydrophobicContact CD1-CG2 3.82Å; F21-T25 HydrophobicContact CE1-CG2 3.52Å; F21-T25 HydrophobicContact CE2-CG2 4.41Å; F21-T25 HydrophobicContact CG-CG2 4.39Å; F21-T25 HydrophobicContact CZ-CG2 3.85Å; F21-T25 WeakPolarHBondContact O-CB 3.13Å; F21-T25 WeakPolarHBondContact O-CG2 3.48Å; F21-T25 PolarHBondContact O-N 2.9Å; F21-T25 VanDerWaalsContact O-N 3.08Å; F21-T25 PolarHBondContact O-OG1 2.68Å; S23-T25 VanDerWaalsContact C-N 3.3Å; S23-T25 PolarHBondContact O-N 3.26Å; T25-Q29 PolarHBondContact O-NE2 3.45Å; T25-H498 WeakPolarHBondContact CG2-NE2 3.15Å
26K53.8Low54.8Low132 Ų13288 Ų8857%0.57445%0.445SS*.Hα-helixtrans-103.5-44.3173.3-68.4178.9-174.4171.40112.1A22 S23 E24 E28 Q29A22-K26 VanDerWaalsContact O-CD 3.23Å; A22-K26 WeakPolarHBondContact O-CD 3.47Å; A22-K26 VanDerWaalsContact O-CE 3.22Å; A22-K26 WeakPolarHBondContact O-CE 3.4Å; A22-K26 WeakPolarHBondContact O-CG 3.07Å; S23-K26 WeakPolarHBondContact O-CB 3.33Å; S23-K26 PolarHBondContact O-N 3.39Å; E24-K26 PolarHBondContact O-N 2.98Å; E24-K26 VanDerWaalsContact O-N 3.11Å; K26-E28 PolarHBondContact O-N 3.1Å; K26-Q29 WeakPolarHBondContact O-CB 3.3Å; K26-Q29 PolarHBondContact O-N 2.92Å
27D48.8Very low52.3Low93 Ų9389.2 Ų89.250%0.49745%0.45SS..Hα-helixtrans-65.4-30.9-177.9-64.9-27.3000111.5S23 E24 Q29 V30 R31S23-D27 PolarHBondContact O-N 3.34Å; E24-D27 PolarHBondContact O-N 3.18Å; D27-Q29 VanDerWaalsContact C-N 3.27Å; D27-Q29 PolarHBondContact O-N 2.79Å; D27-V30 PolarHBondContact O-N 2.79Å; D27-R31 WeakPolarHBondContact O-CG 3.29Å
28E47.8Very low50.2Low57 Ų5794.5 Ų94.527%0.26648%0.479SS..THydrogen-bonded Turntrans-70.4-14.3172.3-71.1-173.6-170.200114.3E24 K26 V30 H498E24-E28 PolarHBondContact O-N 3.49Å; K26-E28 PolarHBondContact O-N 3.1Å; E28-V30 VanDerWaalsContact C-N 3.28Å; E28-V30 PolarHBondContact O-N 3.16Å; E28-H498 IonicContact OE2-CE1 2.74Å; E28-H498 PolarHBondContact OE2-CE1 3.43Å; E28-H498 IonicContact OE2-ND1 2.68Å; E28-H498 PolarHBondContact OE2-ND1 2.84Å
29Q37Very low47.8Very low157 Ų15796.5 Ų96.573%0.73450%0.495SS*.THydrogen-bonded Turntrans-80.4-8.2173.6-60.9-174.28.800113.5T25 K26 D27T25-Q29 PolarHBondContact O-NE2 3.45Å; K26-Q29 WeakPolarHBondContact O-CB 3.3Å; K26-Q29 PolarHBondContact O-N 2.92Å; D27-Q29 VanDerWaalsContact C-N 3.27Å; D27-Q29 PolarHBondContact O-N 2.79Å
30V34.6Very low45.6Very low124 Ų12493 Ų9375%0.75249%0.494SS*.SBendtrans-115.3-7.5-174.3-1730000111.9D27 E28 D32D27-V30 PolarHBondContact O-N 2.79Å; E28-V30 VanDerWaalsContact C-N 3.28Å; E28-V30 PolarHBondContact O-N 3.16Å; V30-D32 PolarHBondContact O-N 2.97Å
31R39Very low43.6Very low136 Ų136101.3 Ų101.351%0.51353%0.532SS..  trans-91.493.8-178.2-74175.7174.3-170.8-3.7111.6D27 E33D27-R31 WeakPolarHBondContact O-CG 3.29Å; R31-E33 PolarHBondContact O-N 2.74Å; R31-E33 VanDerWaalsContact O-N 3.09Å
32D29.7Very low41.7Very low161 Ų161107.7 Ų107.786%0.86157%0.567SS**  trans-61.2105.4155.8-83.9-41.9000108.6V30 I34V30-D32 PolarHBondContact O-N 2.97Å; D32-I34 PolarHBondContact O-N 2.74Å; D32-I34 VanDerWaalsContact O-N 3.07Å
33E35.7Very low39.5Very low121 Ų121108.6 Ų108.657%0.56557%0.57SS**  trans-73.7100-178.9-70.6-156.913500111.4R31 S35 K580R31-E33 PolarHBondContact O-N 2.74Å; R31-E33 VanDerWaalsContact O-N 3.09Å; E33-S35 PolarHBondContact O-N 3.32Å; E33-K580 WeakPolarHBondContact OE1-CE 3.46Å; E33-K580 IonicContact OE1-NZ 2.75Å; E33-K580 PolarHBondContact OE1-NZ 3.07Å
34I27.2Very low37.8Very low138 Ų138110.9 Ų110.971%0.70858%0.584SS**  trans-61.7129.7172-61.3175000109.8D32 L36D32-I34 PolarHBondContact O-N 2.74Å; D32-I34 VanDerWaalsContact O-N 3.07Å; I34-L36 WeakPolarHBondContact O-CD1 3.39Å; I34-L36 PolarHBondContact O-N 2.66Å; I34-L36 VanDerWaalsContact O-N 3.09Å
35S29.6Very low36.5Very low56 Ų56114.5 Ų114.539%0.39260%0.603SS.*  trans-69.898.8179.4163.60000112.1E33 F37 D38E33-S35 PolarHBondContact O-N 3.32Å; S35-F37 PolarHBondContact O-N 3.08Å; S35-D38 PolarHBondContact O-N 3.17Å; S35-D38 VanDerWaalsContact O-N 3.09Å
36L34Very low35.2Very low166 Ų166119 Ų11987%0.86963%0.626SS**THydrogen-bonded Turntrans-6914.5174.1-79.6104.6000115.3I34I34-L36 WeakPolarHBondContact O-CD1 3.39Å; I34-L36 PolarHBondContact O-N 2.66Å; I34-L36 VanDerWaalsContact O-N 3.09Å
37F27.9Very low34.4Very low117 Ų117120 Ų12051%0.51363%0.633SS.*THydrogen-bonded Turntrans-81.5-1.8160.6-74.5-70.9000113.2S35 V39 R346S35-F37 PolarHBondContact O-N 3.08Å; F37-V39 PolarHBondContact O-N 3.1Å; F37-R346 PolarHBondContact O-NH1 2.96Å; F37-R346 VanDerWaalsContact O-NH1 3.11Å; F37-R346 PolarHBondContact O-NH2 3.07Å
38D33.3Very low33.8Very low112 Ų112122.1 Ų122.160%0.59964%0.639SS**  trans-84.569.1175.7-60.5-14.3000109.8S35 A40 R346S35-D38 PolarHBondContact O-N 3.17Å; S35-D38 VanDerWaalsContact O-N 3.09Å; D38-A40 PolarHBondContact O-N 2.81Å; D38-R346 IonicContact OD1-NH1 3.45Å; D38-R346 PolarHBondContact OD1-NH1 3.39Å; D38-R346 VanDerWaalsContact OD1-NH1 3.09Å
39V29.5Very low33.4Very low110 Ų110125.7 Ų125.767%0.66766%0.656SS**  trans-62.2119.3158.6-177.40000106.6F37 E41F37-V39 PolarHBondContact O-N 3.1Å; V39-E41 PolarHBondContact O-N 2.69Å
40A32.6Very low33.3Very low76 Ų76123.9 Ų123.963%0.62865%0.649SS**  trans-58.2130.2171.400000109.1D38 D42D38-A40 PolarHBondContact O-N 2.81Å; A40-D42 PolarHBondContact O-N 2.72Å; A40-D42 VanDerWaalsContact O-N 3.07Å
41E33.9Very low33.5Very low192 Ų192120.6 Ų120.690%0.89763%0.634SS**SBendtrans-62.5-22.8-169-61.4-174121.600112.8V39 C43V39-E41 PolarHBondContact O-N 2.69Å; E41-C43 VanDerWaalsContact C-N 3.29Å; E41-C43 PolarHBondContact O-N 3Å
42D34.8Very low33.5Very low158 Ų158121.2 Ų121.285%0.84564%0.643SS**  trans-79.160.1176.3-62.2-51.3000113.7A40 P44A40-D42 PolarHBondContact O-N 2.72Å; A40-D42 VanDerWaalsContact O-N 3.07Å; D42-P44 WeakPolarHBondContact O-CD 3.43Å
43C28.5Very low34Very low60 Ų60121.3 Ų121.341%0.40564%0.638SS.*  trans-105.898.2168-164.60000111E41 I45E41-C43 VanDerWaalsContact C-N 3.29Å; E41-C43 PolarHBondContact O-N 3Å; C43-I45 VanDerWaalsContact C-N 3.29Å; C43-I45 PolarHBondContact O-N 3.2Å
44P33.5Very low34Very low101 Ų101122 Ų12266%0.65665%0.645SS**THydrogen-bonded Turntrans-65.7-26-166.8-24.735.4000115.5D42 L46D42-P44 WeakPolarHBondContact O-CD 3.43Å; P44-L46 PolarHBondContact O-N 3.44Å
45I35.7Very low34.6Very low115 Ų115123.4 Ų123.459%0.5965%0.648SS**Hα-helixtrans-64.2-39.9-169.7-63.6167.7000111.4C43 H47 Q48 E49C43-I45 VanDerWaalsContact C-N 3.29Å; C43-I45 PolarHBondContact O-N 3.2Å; I45-H47 VanDerWaalsContact C-N 3.3Å; I45-H47 PolarHBondContact O-N 2.91Å; I45-Q48 PolarHBondContact O-N 3.36Å; I45-Q48 VanDerWaalsContact O-N 3.09Å; I45-E49 PolarHBondContact O-N 2.96Å
46L33.6Very low35Very low118 Ų118125 Ų12562%0.61866%0.664SS**Hα-helixtrans-68.1-27.7-171.8-135.5114.9000113.6P44 M50P44-L46 PolarHBondContact O-N 3.44Å; L46-M50 HydrophobicContact CD2-CE 4.22Å
47H36.6Very low35.2Very low153 Ų153124.3 Ų124.371%0.70866%0.662SS**Hα-helixtrans-76.6-29174.9-84.494.8000112.6I45 A51I45-H47 VanDerWaalsContact C-N 3.3Å; I45-H47 PolarHBondContact O-N 2.91Å; H47-A51 PolarHBondContact O-N 3.47Å
48Q36.1Very low36.1Very low136 Ų136124.7 Ų124.764%0.63667%0.669SS**Hα-helixtrans-79.7-36.3-170.7-159.3164.910.300112.5I45 H52I45-Q48 PolarHBondContact O-N 3.36Å; I45-Q48 VanDerWaalsContact O-N 3.09Å; Q48-H52 PolarHBondContact O-N 3.28Å
49E39.3Very low36.6Very low132 Ų132124.6 Ų124.662%0.61767%0.669SS**Hα-helixtrans-71.3-40.5174.5-63.4-172.4141.700112I45 A51 H52 H53I45-E49 PolarHBondContact O-N 2.96Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 3.48Å; E49-H52 PolarHBondContact O-N 2.9Å; E49-H52 VanDerWaalsContact O-N 3.11Å; E49-H53 PolarHBondContact O-CD2 3Å; E49-H53 PolarHBondContact O-N 3.03Å
50M35Very low37.2Very low120 Ų120122.7 Ų122.759%0.59166%0.664SS**Hα-helixtrans-64-37.4-179.1-142-177.2-58.800112.2L46 H53L46-M50 HydrophobicContact CD2-CE 4.22Å; M50-H53 PolarHBondContact O-N 3.31Å
51A38.3Very low37.7Very low54 Ų54126.6 Ų126.645%0.44667%0.669SS.*Hα-helixtrans-65.8-35.5173.700000112.9H47 E49 H53 L54H47-A51 PolarHBondContact O-N 3.47Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 3.48Å; A51-H53 VanDerWaalsContact C-N 3.34Å; A51-H53 PolarHBondContact O-N 2.98Å; A51-L54 PolarHBondContact O-N 3.39Å
52H39.3Very low38.4Very low150 Ų150125.1 Ų125.169%0.69466%0.66SS**Hα-helixtrans-68.9-29.4179.6-103.9-80.9000113.5Q48 E49Q48-H52 PolarHBondContact O-N 3.28Å; E49-H52 PolarHBondContact O-N 2.9Å; E49-H52 VanDerWaalsContact O-N 3.11Å
53H39.3Very low38.8Very low162 Ų162126.2 Ų126.275%0.7565%0.652SS**Hα-helixtrans-80.6-13.8179.3-83.9-77.4000114.8E49 M50 A51E49-H53 PolarHBondContact O-CD2 3Å; E49-H53 PolarHBondContact O-N 3.03Å; M50-H53 PolarHBondContact O-N 3.31Å; A51-H53 VanDerWaalsContact C-N 3.34Å; A51-H53 PolarHBondContact O-N 2.98Å
54L36Very low39.4Very low137 Ų137131.2 Ų131.272%0.71767%0.667SS**THydrogen-bonded Turntrans-91.9-4.9-177.3-76.7166.5000115.1A51A51-L54 PolarHBondContact O-N 3.39Å
55H39.1Very low39.7Very low166 Ų166134.8 Ų134.877%0.76967%0.673SS**  trans-12419.9-174.5-70.1-52.5000114.9D57H55-D57 PolarHBondContact O-N 2.85Å
56A38.4Very low40Very low89 Ų89135.5 Ų135.574%0.73668%0.677SS**  trans-88.860.5179.400000113.3
57D38.2Very low40.2Very low152 Ų152137.8 Ų137.881%0.81368%0.684SS**  trans-61.2144.6178.2-103.1-39.4000113.4H55 N59H55-D57 PolarHBondContact O-N 2.85Å; D57-N59 PolarHBondContact O-N 2.95Å
58D46.6Very low40.2Very low126 Ų126141.5 Ų141.567%0.67469%0.692SS**  trans-71.992.9-168.2-171.413.7000113.2A60D58-A60 PolarHBondContact O-N 3.49Å
59N44.3Very low40.2Very low110 Ų110139.5 Ų139.559%0.58869%0.693SS**  trans-91.387-169.9-152.4-42.9000112.6D57 E61 K62D57-N59 PolarHBondContact O-N 2.95Å; N59-E61 PolarHBondContact O-N 3.15Å; N59-K62 PolarHBondContact O-N 3.11Å; N59-K62 VanDerWaalsContact O-N 3.14Å
60A42.8Very low40.2Very low69 Ų69144.1 Ų144.157%0.5771%0.705SS**THydrogen-bonded Turntrans-53.8-23.4-169.500000116.4D58 K62 R63D58-A60 PolarHBondContact O-N 3.49Å; A60-K62 VanDerWaalsContact C-N 3.3Å; A60-K62 PolarHBondContact O-N 3.09Å; A60-R63 PolarHBondContact O-N 3.12Å
61E41.8Very low40.2Very low158 Ų158144.3 Ų144.374%0.73871%0.713SS**Hα-helixtrans-63.8-32177.9-70.9-149118.200113.5N59 R63 K64 K65N59-E61 PolarHBondContact O-N 3.15Å; E61-R63 VanDerWaalsContact C-N 3.27Å; E61-R63 PolarHBondContact O-N 3.29Å; E61-K64 PolarHBondContact O-N 2.81Å; E61-K65 PolarHBondContact O-N 3.13Å
62K48.8Very low39.9Very low161 Ų161150.9 Ų150.970%0.774%0.737SS**Hα-helixtrans-60-36.9178.8-83-177.6174.9175.40111.9N59 A60 K65 L66N59-K62 PolarHBondContact O-N 3.11Å; N59-K62 VanDerWaalsContact O-N 3.14Å; A60-K62 VanDerWaalsContact C-N 3.3Å; A60-K62 PolarHBondContact O-N 3.09Å; K62-K65 PolarHBondContact O-N 3.27Å; K62-L66 WeakPolarHBondContact O-CD1 3.26Å; K62-L66 PolarHBondContact O-N 3.09Å
63R44.6Very low39.4Very low181 Ų181148.3 Ų148.368%0.68374%0.742SS**Hα-helixtrans-64.2-40.1177.6-75.8-177.9171.5164.71112.5A60 E61 K65 L66A60-R63 PolarHBondContact O-N 3.12Å; E61-R63 VanDerWaalsContact C-N 3.27Å; E61-R63 PolarHBondContact O-N 3.29Å; R63-K65 VanDerWaalsContact C-N 3.35Å; R63-K65 PolarHBondContact O-N 3.2Å; R63-L66 PolarHBondContact O-N 3.44Å
64K40.4Very low38.9Very low166 Ų166145 Ų14572%0.72274%0.743SS**Hα-helixtrans-67.9-29.4178-84180175.1173.50113.5E61E61-K64 PolarHBondContact O-N 2.81Å
65K38.8Very low38.7Very low176 Ų176144.4 Ų144.477%0.76575%0.747SS**Hα-helixtrans-70.9-40.2176.1-99.7176175.9170.40113E61 K62 R63 Q67 R68E61-K65 PolarHBondContact O-N 3.13Å; K62-K65 PolarHBondContact O-N 3.27Å; R63-K65 VanDerWaalsContact C-N 3.35Å; R63-K65 PolarHBondContact O-N 3.2Å; K65-Q67 PolarHBondContact O-N 3.47Å; K65-R68 PolarHBondContact O-N 3.29Å
66L42.6Very low38.4Very low130 Ų130145.9 Ų145.968%0.68175%0.754SS**Hα-helixtrans-69.4-26.5-179.9-9192000114.5K62 R63 R68 S69K62-L66 WeakPolarHBondContact O-CD1 3.26Å; K62-L66 PolarHBondContact O-N 3.09Å; R63-L66 PolarHBondContact O-N 3.44Å; L66-R68 VanDerWaalsContact C-N 3.29Å; L66-R68 PolarHBondContact O-N 3.39Å; L66-S69 PolarHBondContact O-OG 3.18Å
67Q38.1Very low38.1Very low165 Ų165146.5 Ų146.577%0.77176%0.759SS**G310 helixtrans-73.1-19.4177.8-76.2-175.9-30.500113.6K65K65-Q67 PolarHBondContact O-N 3.47Å
68R36.7Very low37.7Very low231 Ų231144 Ų14487%0.87276%0.76SS**G310 helixtrans-87.2-4.1-175.8-102.5-175.8170.9-173.5-3115.4K65 L66K65-R68 PolarHBondContact O-N 3.29Å; L66-R68 VanDerWaalsContact C-N 3.29Å; L66-R68 PolarHBondContact O-N 3.39Å
69S35.7Very low37.2Very low95 Ų95143.2 Ų143.266%0.66477%0.771SS**G310 helixtrans-108.37.2-17650.80000115L66L66-S69 PolarHBondContact O-OG 3.18Å
70R38.7Very low36.6Very low229 Ų229142.2 Ų142.286%0.86478%0.777SS**  trans-106.772.3176.5-80.1-170.7167.8-168.9-3112.9
71T36.2Very low36.2Very low124 Ų124144.9 Ų144.976%0.76179%0.789SS**  trans-141.885.8165.651.20000111.2
72M31.4Very low36Very low191 Ų191144 Ų14494%0.94179%0.794SS**  trans-138.2150.3157.5-76.2-58.8-75.800108.3
73A30Very low35.5Very low97 Ų97143.6 Ų143.680%0.80280%0.799SS**PPolyproline II helixtrans-77.6154-161.600000114.7
74A28.1Very low35.4Very low93 Ų93141.6 Ų141.677%0.76981%0.806SS**PPolyproline II helixtrans-92.7135172.800000111.4
75P32.1Very low35.5Very low123 Ų123140.4 Ų140.480%0.79981%0.808SS**PPolyproline II helixtrans-70.6146.3162.3-12.628.7000110.7
76Q31.8Very low35.7Very low198 Ų198135.7 Ų135.793%0.92579%0.794SS**PPolyproline II helixtrans-75.6124.6170.2-71.5175.9-34.400110.1
77A32.4Very low36Very low101 Ų101132.3 Ų132.384%0.83578%0.78SS**PPolyproline II helixtrans-89.8132.2169.600000110.2
78A30.9Very low36.6Very low101 Ų101129.1 Ų129.184%0.83577%0.772SS**PPolyproline II helixtrans-77.5148.3170.700000110.6
79A36Very low37.5Very low109 Ų109123.6 Ų123.690%0.90175%0.752SS**PPolyproline II helixtrans-71.9131.7-178.400000112.2
80A31.1Very low38.3Very low88 Ų88123.8 Ų123.873%0.72775%0.745SS**  trans-109.4152.416600000109.3
81P33.3Very low39.4Very low125 Ų125118.7 Ų118.781%0.81273%0.731SS**PPolyproline II helixtrans-74.1150.1-171.230-35.5000113.2L83P81-L83 PolarHBondContact O-N 2.89Å
82V39.3Very low40.6Very low139 Ų139117 Ų11784%0.84272%0.72SS**PPolyproline II helixtrans-64.5117.8178.9-179.90000110.5
83L37.6Very low42.5Very low153 Ų153109.6 Ų109.680%0.80169%0.686SS**PPolyproline II helixtrans-87.4159.1160-81164.2000109.4P81 D85P81-L83 PolarHBondContact O-N 2.89Å; L83-D85 PolarHBondContact O-N 3.34Å; L83-D85 VanDerWaalsContact O-N 3.14Å
84V42.5Very low44.8Very low140 Ų140112.8 Ų112.885%0.84869%0.69SS**  trans-69.3111.5-173.9-178.10000109.8T86V84-T86 PolarHBondContact O-N 3.38Å
85D42Very low47.6Very low140 Ų140109.6 Ų109.675%0.74966%0.659SS**  trans-53.3113.5-179.9-82.4-31.7000111.2L83L83-D85 PolarHBondContact O-N 3.34Å; L83-D85 VanDerWaalsContact O-N 3.14Å
86T44.2Very low50.2Low77 Ų77109.2 Ų109.247%0.47265%0.646SS.*  trans-73.8127.4156-620000106.2V84 T88 L90V84-T86 PolarHBondContact O-N 3.38Å; T86-T88 PolarHBondContact O-N 3.15Å; T86-L90 HydrophobicContact CG2-CB 3.96Å; T86-L90 HydrophobicContact CG2-CD1 4.03Å
87P48.3Very low52.8Low60 Ų60108.1 Ų108.139%0.3963%0.633SS.*  trans-51.6129-175.5-29.934000112.4Y89 L90P87-Y89 HydrophobicContact CB-CD1 3.81Å; P87-Y89 HydrophobicContact CB-CE1 3.35Å; P87-Y89 HydrophobicContact CG-CE1 4.31Å; P87-Y89 PolarHBondContact O-N 2.98Å; P87-L90 HydrophobicContact CG-CD1 4.49Å; P87-L90 WeakPolarHBondContact O-CB 3.22Å; P87-L90 PolarHBondContact O-N 2.99Å
88T51.2Low55.2Low97 Ų97105.6 Ų105.660%0.59561%0.608SS**THydrogen-bonded Turntrans-60.8-11.7-166.5-29.40000114.8T86 L90T86-T88 PolarHBondContact O-N 3.15Å; T88-L90 VanDerWaalsContact C-N 3.29Å
89Y54.3Low57.6Low115 Ų115104.6 Ų104.645%0.45160%0.599SS.*THydrogen-bonded Turntrans-81.7-2.2170.769.4-98.4000114.2P87P87-Y89 HydrophobicContact CB-CD1 3.81Å; P87-Y89 HydrophobicContact CB-CE1 3.35Å; P87-Y89 HydrophobicContact CG-CE1 4.31Å; P87-Y89 PolarHBondContact O-N 2.98Å
90L53.3Low59.4Low100 Ų100103.2 Ų103.252%0.52458%0.576SS.*SBendtrans-103.8-16.1172.3-61.1176000111.9T86 P87 T88 V92T86-L90 HydrophobicContact CG2-CB 3.96Å; T86-L90 HydrophobicContact CG2-CD1 4.03Å; P87-L90 HydrophobicContact CG-CD1 4.49Å; P87-L90 WeakPolarHBondContact O-CB 3.22Å; P87-L90 PolarHBondContact O-N 2.99Å; T88-L90 VanDerWaalsContact C-N 3.29Å; L90-V92 PolarHBondContact O-N 3.25Å
91E61.8Low61.6Low121 Ų121105.5 Ų105.557%0.56558%0.58SS**  trans-78.968171.8-62.1-167.413700110
92V62.3Low63.2Low88 Ų88101.6 Ų101.653%0.53356%0.563SS.*  trans-61.7127.1175.6-176.60000108.9L90 F95L90-V92 PolarHBondContact O-N 3.25Å; V92-F95 HydrophobicContact CG1-CD2 4.2Å; V92-F95 HydrophobicContact CG1-CE2 3.68Å
93P69.9Low64.1Low36 Ų36100.9 Ų100.923%0.23456%0.555CS.*  trans-57.6150.6178.4-25.434.9000113.3F95 E265P93-F95 HydrophobicContact CB-CD1 4.5Å; P93-F95 HydrophobicContact CB-CE1 4.17Å; P93-F95 HydrophobicContact CB-CZ 4.28Å; P93-F95 HydrophobicContact CG-CE1 4.42Å; P93-F95 HydrophobicContact CG-CZ 4.23Å; P93-F95 WeakPolarHBondContact O-CD2 3.26Å; P93-F95 PolarHBondContact O-N 3.37Å; P93-E265 VanDerWaalsContact CD-OE2 3.23Å; P93-E265 WeakPolarHBondContact CD-OE2 3.45Å; P93-E265 HydrophobicContact CG-CB 4.45Å; P93-E265 HydrophobicContact CG-CG 4.44Å
94D79.4Confident65.3Low164 Ų164104 Ų10488%0.87756%0.558SS**  trans-71.476.9170.3-92.3-41.8000110.9
95F86.3Confident66.3Low26 Ų2699.1 Ų99.111%0.11453%0.531CS..  trans-57.5141.8173.7-64.7-56.8000111.7V92 P93 R97 N258 E261 E262 E265V92-F95 HydrophobicContact CG1-CD2 4.2Å; V92-F95 HydrophobicContact CG1-CE2 3.68Å; P93-F95 HydrophobicContact CB-CD1 4.5Å; P93-F95 HydrophobicContact CB-CE1 4.17Å; P93-F95 HydrophobicContact CB-CZ 4.28Å; P93-F95 HydrophobicContact CG-CE1 4.42Å; P93-F95 HydrophobicContact CG-CZ 4.23Å; P93-F95 WeakPolarHBondContact O-CD2 3.26Å; P93-F95 PolarHBondContact O-N 3.37Å; F95-R97 VanDerWaalsContact O-CG 3.24Å; F95-R97 WeakPolarHBondContact O-CG 3.47Å; F95-R97 PolarHBondContact O-N 2.93Å; F95-N258 WeakPolarHBondContact CA-OD1 3.36Å; F95-N258 HydrophobicContact CD1-CB 3.75Å; F95-N258 HydrophobicContact CE1-CB 4.4Å; F95-N258 HydrophobicContact CG-CB 4.44Å; F95-E261 HydrophobicContact CD1-CB 4.48Å; F95-E261 HydrophobicContact CE1-CB 4.16Å; F95-E262 HydrophobicContact CD1-CG 4.34Å; F95-E262 HydrophobicContact CE1-CB 4.49Å; F95-E262 HydrophobicContact CE1-CG 3.51Å; F95-E262 HydrophobicContact CZ-CG 3.69Å; F95-E265 WeakPolarHBondContact CZ-OE2 3.34Å
96Q87.1Confident67.6Low115 Ų11592.8 Ų92.854%0.53750%0.499SS..  trans-66.1118.9177-57.2-173.234.900109.8L257 N258Q96-L257 HydrophobicContact CB-CB 4.11Å; Q96-L257 HydrophobicContact CB-CD1 4.11Å; Q96-N258 PolarHBondContact N-OD1 2.94Å; Q96-N258 PolarHBondContact O-ND2 3.37Å
97R85.3Confident69.2Low175 Ų17590.1 Ų90.166%0.6649%0.486SS*.  trans-108.2115.8-174.7-53.4-167.6-175-84.50.2111.7F95 A99F95-R97 VanDerWaalsContact O-CG 3.24Å; F95-R97 WeakPolarHBondContact O-CG 3.47Å; F95-R97 PolarHBondContact O-N 2.93Å; R97-A99 PolarHBondContact O-N 3.22Å
98V83.9Confident71Confident49 Ų4988.7 Ų88.730%0.29748%0.477SS..  trans-71.9126.2170.1-178.30000110.6K250 V253 L257V98-K250 VanDerWaalsContact O-CE 3.25Å; V98-K250 WeakPolarHBondContact O-CE 3.35Å; V98-K250 PolarHBondContact O-NZ 3.35Å; V98-V253 HydrophobicContact CG2-CB 4.3Å; V98-V253 HydrophobicContact CG2-CG1 3.59Å; V98-L257 HydrophobicContact CG2-CD1 4.07Å
99A80.8Confident72.8Confident79 Ų7987.6 Ų87.665%0.65347%0.47SS*.  trans-102.6141.1165.800000109.9R97 V101R97-A99 PolarHBondContact O-N 3.22Å; A99-V101 HydrophobicContact CB-CG2 4.43Å
100I74.4Confident74.3Confident80 Ų8086.7 Ų86.741%0.4147%0.471SS..  trans-108.7127.6172.2-59.7170000106.1A105 F246I100-A105 HydrophobicContact CG2-CB 4.14Å; I100-F246 HydrophobicContact CD1-CB 4.01Å; I100-F246 HydrophobicContact CD1-CD1 3.7Å; I100-F246 HydrophobicContact CD1-CE1 4.48Å; I100-F246 HydrophobicContact CD1-CG 4.1Å
101V75.8Confident76Confident136 Ų13688.1 Ų88.182%0.82448%0.479SS*.  trans-132142.8-170.8-173.20000109.3A99A99-V101 HydrophobicContact CB-CG2 4.43Å
102G67.8Low77.4Confident44 Ų4484.9 Ų84.945%0.45447%0.465SS..SBendtrans110.7138.9176.500000113.9Y104 A105G102-Y104 VanDerWaalsContact C-N 3.31Å; G102-Y104 PolarHBondContact O-N 3.46Å; G102-A105 VanDerWaalsContact O-CB 3.28Å; G102-A105 WeakPolarHBondContact O-CB 3.49Å; G102-A105 PolarHBondContact O-N 3.42Å; G102-A105 VanDerWaalsContact O-N 3.15Å
103D57.7Low78.7Confident123 Ų12384 Ų8466%0.65845%0.454SS*.G310 helixtrans-67.4-30-163.7-44.9-50.1000113.3A105 A106 M110D103-A105 PolarHBondContact O-N 3.47Å; D103-A106 PolarHBondContact O-N 3.03Å; D103-M110 HydrophobicContact CB-CE 4.17Å; D103-M110 HydrophobicContact CB-SD 4.31Å
104Y63.5Low79.6Confident220 Ų22087.2 Ų87.286%0.86347%0.467SS*.G310 helixtrans-62.7-12.1176.8-62.5-73.9000114.2G102 A106 G107G102-Y104 VanDerWaalsContact C-N 3.31Å; G102-Y104 PolarHBondContact O-N 3.46Å; Y104-A106 PolarHBondContact O-N 3.32Å; Y104-G107 PolarHBondContact O-N 3.19Å; Y104-G107 VanDerWaalsContact O-N 3.16Å
105A62.3Low80.1Confident36 Ų3682.4 Ų82.430%0.29845%0.446SS..G310 helixtrans-62.3-21.9176.400000113.7I100 G102 D103 G107 F246I100-A105 HydrophobicContact CG2-CB 4.14Å; G102-A105 VanDerWaalsContact O-CB 3.28Å; G102-A105 WeakPolarHBondContact O-CB 3.49Å; G102-A105 PolarHBondContact O-N 3.42Å; G102-A105 VanDerWaalsContact O-N 3.15Å; D103-A105 PolarHBondContact O-N 3.47Å; A105-G107 VanDerWaalsContact C-N 3.34Å; A105-F246 VanDerWaalsContact O-CE2 3.28Å; A105-F246 WeakPolarHBondContact O-CE2 3.43Å
106A70.1Confident80.3Confident8 Ų881.2 Ų81.27%0.06644%0.44CS..G310 helixtrans-66.1-35.3174.400000112.7D103 Y104 V108 F113 Y239D103-A106 PolarHBondContact O-N 3.03Å; Y104-A106 PolarHBondContact O-N 3.32Å; A106-V108 HydrophobicContact CB-CG2 4.27Å; A106-V108 PolarHBondContact O-N 3.25Å; A106-F113 HydrophobicContact CB-CB 4.21Å; A106-F113 HydrophobicContact CB-CD2 3.73Å; A106-F113 HydrophobicContact CB-CE2 4.33Å; A106-F113 HydrophobicContact CB-CG 4.01Å; A106-Y239 HydrophobicContact CB-CD2 4.05Å; A106-Y239 HydrophobicContact CB-CE2 4.2Å
107G78.5Confident80.5Confident20 Ų2078 Ų7821%0.20643%0.43CS..  trans6619.7178.100000116Y104 A105 R242Y104-G107 PolarHBondContact O-N 3.19Å; Y104-G107 VanDerWaalsContact O-N 3.16Å; A105-G107 VanDerWaalsContact C-N 3.34Å; G107-R242 VanDerWaalsContact CA-CZ 3.49Å; G107-R242 VanDerWaalsContact O-CZ 3.27Å; G107-R242 PolarHBondContact O-NE 3.45Å; G107-R242 PolarHBondContact O-NH2 2.92Å; G107-R242 VanDerWaalsContact O-NH2 3.16Å
108V85.1Confident80.9Confident31 Ų3175.1 Ų75.119%0.18842%0.422CS..SBendtrans-131.6179167.7-65.90000107.7A106 D112 F113 T238A106-V108 HydrophobicContact CB-CG2 4.27Å; A106-V108 PolarHBondContact O-N 3.25Å; V108-D112 HydrophobicContact CB-CB 3.78Å; V108-D112 HydrophobicContact CG2-CB 3.86Å; V108-F113 HydrophobicContact CG2-CB 3.94Å; V108-T238 HydrophobicContact CG1-CG2 3.75Å
109T88.8Confident81.3Confident74 Ų7473.1 Ų73.145%0.45441%0.412SS..  trans-69167.2173.971.30000111.6D111 D112 F113T109-D111 VanDerWaalsContact C-N 3.34Å; T109-D112 WeakPolarHBondContact CB-OD2 3.38Å; T109-D112 WeakPolarHBondContact CG2-OD2 3.48Å; T109-D112 PolarHBondContact N-OD2 3.48Å; T109-D112 PolarHBondContact O-N 3Å; T109-D112 WeakPolarHBondContact OG1-CB 3.42Å; T109-D112 PolarHBondContact OG1-N 3.01Å; T109-D112 VanDerWaalsContact OG1-N 3.1Å; T109-D112 PolarHBondContact OG1-OD2 2.9Å; T109-F113 VanDerWaalsContact O-CB 3.28Å; T109-F113 WeakPolarHBondContact O-CB 3.27Å; T109-F113 PolarHBondContact O-N 3.29Å
110M87.3Confident82Confident96 Ų9671.4 Ų71.447%0.47339%0.391SS..Hα-helixtrans-64.8-38.9175.9-69.2-64.7101.900111.9D103 F113 E114D103-M110 HydrophobicContact CB-CE 4.17Å; D103-M110 HydrophobicContact CB-SD 4.31Å; M110-F113 PolarHBondContact O-N 3.35Å; M110-E114 PolarHBondContact O-N 3.21Å
111D88.5Confident82.9Confident130 Ų13071 Ų7170%0.69539%0.385SS*.Hα-helixtrans-67.4-42.7178.2-52.7-21.2000110.9T109 F113 E114 S115T109-D111 VanDerWaalsContact C-N 3.34Å; D111-F113 VanDerWaalsContact C-N 3.33Å; D111-F113 PolarHBondContact O-N 3.32Å; D111-E114 PolarHBondContact O-N 3.36Å; D111-S115 VanDerWaalsContact O-CB 3.27Å; D111-S115 WeakPolarHBondContact O-CB 3.49Å; D111-S115 PolarHBondContact O-N 3.02Å
112D90.1Very high83.9Confident52 Ų5269 Ų6928%0.27836%0.363SS..Hα-helixtrans-59.2-42.9171.6-74.8-48.1000112.2V108 T109 S116 P235V108-D112 HydrophobicContact CB-CB 3.78Å; V108-D112 HydrophobicContact CG2-CB 3.86Å; T109-D112 WeakPolarHBondContact CB-OD2 3.38Å; T109-D112 WeakPolarHBondContact CG2-OD2 3.48Å; T109-D112 PolarHBondContact N-OD2 3.48Å; T109-D112 PolarHBondContact O-N 3Å; T109-D112 WeakPolarHBondContact OG1-CB 3.42Å; T109-D112 PolarHBondContact OG1-N 3.01Å; T109-D112 VanDerWaalsContact OG1-N 3.1Å; T109-D112 PolarHBondContact OG1-OD2 2.9Å; D112-S116 VanDerWaalsContact O-CB 3.29Å; D112-S116 WeakPolarHBondContact O-CB 3.34Å; D112-S116 PolarHBondContact O-N 2.88Å; D112-S116 PolarHBondContact O-OG 2.67Å; D112-P235 HydrophobicContact CB-CB 3.74Å; D112-P235 HydrophobicContact CB-CG 4.48Å; D112-P235 VanDerWaalsContact OD1-CB 3.32Å; D112-P235 WeakPolarHBondContact OD1-CB 3.29Å; D112-P235 WeakPolarHBondContact OD1-CG 3.33Å
113F89.4Confident85.2Confident69 Ų6967.1 Ų67.130%0.30334%0.343SS..Hα-helixtrans-65.7-47.5179.8169-113.4000111A106 V108 T109 M110 D111 S115 S116 C117 Y239A106-F113 HydrophobicContact CB-CB 4.21Å; A106-F113 HydrophobicContact CB-CD2 3.73Å; A106-F113 HydrophobicContact CB-CE2 4.33Å; A106-F113 HydrophobicContact CB-CG 4.01Å; V108-F113 HydrophobicContact CG2-CB 3.94Å; T109-F113 VanDerWaalsContact O-CB 3.28Å; T109-F113 WeakPolarHBondContact O-CB 3.27Å; T109-F113 PolarHBondContact O-N 3.29Å; M110-F113 PolarHBondContact O-N 3.35Å; D111-F113 VanDerWaalsContact C-N 3.33Å; D111-F113 PolarHBondContact O-N 3.32Å; F113-S115 VanDerWaalsContact C-N 3.33Å; F113-S115 PolarHBondContact O-N 3.44Å; F113-S116 PolarHBondContact O-N 2.88Å; F113-C117 WeakPolarHBondContact CE2-SG 3.21Å; F113-C117 WeakPolarHBondContact O-CB 3.5Å; F113-C117 PolarHBondContact O-N 3.43Å; F113-C117 PolarHBondContact O-SG 3.49Å; F113-Y239 AromaticContact CD2-CD2 3.88Å; F113-Y239 HydrophobicContact CD2-CD2 3.88Å; F113-Y239 AromaticContact CD2-CE2 3.6Å; F113-Y239 HydrophobicContact CD2-CE2 3.6Å; F113-Y239 HydrophobicContact CE2-CD2 4.29Å; F113-Y239 AromaticContact CE2-CE2 3.53Å; F113-Y239 HydrophobicContact CE2-CE2 3.53Å; F113-Y239 AromaticContact CE2-CZ 3.74Å
114E89.8Confident87.1Confident105 Ų10564.5 Ų64.549%0.49133%0.329SS..Hα-helixtrans-62.7-41.4177.4-156.7-154.3176.900111.3M110 D111 C117 K118M110-E114 PolarHBondContact O-N 3.21Å; D111-E114 PolarHBondContact O-N 3.36Å; E114-C117 PolarHBondContact O-N 2.95Å; E114-K118 VanDerWaalsContact CD-CE 3.42Å; E114-K118 HydrophobicContact CG-CD 4.47Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 VanDerWaalsContact O-CG 3.29Å; E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 PolarHBondContact O-N 3.28Å; E114-K118 WeakPolarHBondContact OE1-CE 3.26Å; E114-K118 IonicContact OE1-NZ 3.8Å; E114-K118 PolarHBondContact OE1-NZ 3.06Å; E114-K118 IonicContact OE2-NZ 3.74Å; E114-K118 PolarHBondContact OE2-NZ 3.44Å
115S89.8Confident88.6Confident63 Ų6355.6 Ų55.644%0.44130%0.297SS..Hα-helixtrans-60.7-47.5173.6-171.40000112D111 F113 C117 K118 G119D111-S115 VanDerWaalsContact O-CB 3.27Å; D111-S115 WeakPolarHBondContact O-CB 3.49Å; D111-S115 PolarHBondContact O-N 3.02Å; F113-S115 VanDerWaalsContact C-N 3.33Å; F113-S115 PolarHBondContact O-N 3.44Å; S115-C117 VanDerWaalsContact C-N 3.35Å; S115-C117 PolarHBondContact O-N 3.35Å; S115-K118 PolarHBondContact O-N 2.95Å; S115-G119 PolarHBondContact O-N 2.91Å
116S91.2Very high90.2Very high0 Ų054.1 Ų54.10%028%0.284CS..Hα-helixtrans-59.8-43.3176.6-58.30000111.7D112 F113 G119 L120 T236D112-S116 VanDerWaalsContact O-CB 3.29Å; D112-S116 WeakPolarHBondContact O-CB 3.34Å; D112-S116 PolarHBondContact O-N 2.88Å; D112-S116 PolarHBondContact O-OG 2.67Å; F113-S116 PolarHBondContact O-N 2.88Å; S116-G119 PolarHBondContact O-N 3.42Å; S116-L120 WeakPolarHBondContact O-CG 3.34Å; S116-L120 PolarHBondContact O-N 3.32Å; S116-T236 WeakPolarHBondContact OG-CA 3.45Å
117C91.1Very high91.5Very high47 Ų4755.6 Ų55.632%0.31829%0.288SS..Hα-helixtrans-66.7-42.8177.6-76.70000112.6F113 E114 S115 G119 L120 Y121F113-C117 WeakPolarHBondContact CE2-SG 3.21Å; F113-C117 WeakPolarHBondContact O-CB 3.5Å; F113-C117 PolarHBondContact O-N 3.43Å; F113-C117 PolarHBondContact O-SG 3.49Å; E114-C117 PolarHBondContact O-N 2.95Å; S115-C117 VanDerWaalsContact C-N 3.35Å; S115-C117 PolarHBondContact O-N 3.35Å; C117-G119 VanDerWaalsContact C-N 3.28Å; C117-G119 PolarHBondContact O-N 2.94Å; C117-L120 PolarHBondContact O-N 2.93Å; C117-Y121 WeakPolarHBondContact O-CB 3.31Å; C117-Y121 PolarHBondContact O-N 3.44Å
118K92.5Very high92.3Very high116 Ų11655.3 Ų55.350%0.50428%0.282SS..Hα-helixtrans-59.5-40.9172.1-73.4165-179.1166.80111.2E114 S115 R122E114-K118 VanDerWaalsContact CD-CE 3.42Å; E114-K118 HydrophobicContact CG-CD 4.47Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 VanDerWaalsContact O-CG 3.29Å; E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 PolarHBondContact O-N 3.28Å; E114-K118 WeakPolarHBondContact OE1-CE 3.26Å; E114-K118 IonicContact OE1-NZ 3.8Å; E114-K118 PolarHBondContact OE1-NZ 3.06Å; E114-K118 IonicContact OE2-NZ 3.74Å; E114-K118 PolarHBondContact OE2-NZ 3.44Å; S115-K118 PolarHBondContact O-N 2.95Å; K118-R122 PolarHBondContact O-N 3.23Å; K118-R122 VanDerWaalsContact O-N 3.07Å
119G93.6Very high92.8Very high7 Ų757.6 Ų57.67%0.07229%0.289CS..Hα-helixtrans-61.1-52.9175.700000112.9S115 S116 C117 Y121 R122 A123 L230S115-G119 PolarHBondContact O-N 2.91Å; S116-G119 PolarHBondContact O-N 3.42Å; C117-G119 VanDerWaalsContact C-N 3.28Å; C117-G119 PolarHBondContact O-N 2.94Å; G119-Y121 VanDerWaalsContact C-N 3.35Å; G119-Y121 PolarHBondContact O-N 2.91Å; G119-R122 PolarHBondContact O-N 3.47Å; G119-A123 PolarHBondContact O-N 2.87Å; G119-L230 WeakPolarHBondContact O-CD2 3.15Å
120L93.8Very high93.2Very high43 Ų4354.2 Ų54.223%0.22527%0.268CS..Hα-helixtrans-63.1-37.1178.1-69.5168.9000112.5S116 C117 A123 L124 Y239 T240S116-L120 WeakPolarHBondContact O-CG 3.34Å; S116-L120 PolarHBondContact O-N 3.32Å; C117-L120 PolarHBondContact O-N 2.93Å; L120-A123 PolarHBondContact O-N 3.4Å; L120-L124 WeakPolarHBondContact O-CG 3.41Å; L120-L124 PolarHBondContact O-N 2.91Å; L120-Y239 HydrophobicContact CD1-CD1 4.21Å; L120-Y239 HydrophobicContact CD1-CE1 3.95Å; L120-T240 HydrophobicContact CD1-CG2 4.19Å; L120-T240 HydrophobicContact CD2-CG2 4.3Å
121Y95.1Very high93.6Very high72 Ų7249.7 Ų49.728%0.28225%0.246SC..Hα-helixtrans-61.6-44.9173.1172.9-96.9000112.2C117 G119 A123 L124 T125 L146 I149 E150C117-Y121 WeakPolarHBondContact O-CB 3.31Å; C117-Y121 PolarHBondContact O-N 3.44Å; G119-Y121 VanDerWaalsContact C-N 3.35Å; G119-Y121 PolarHBondContact O-N 2.91Å; Y121-A123 VanDerWaalsContact C-N 3.34Å; Y121-A123 PolarHBondContact O-N 3.42Å; Y121-L124 PolarHBondContact O-N 3.49Å; Y121-T125 HydrophobicContact CE1-CG2 4.21Å; Y121-T125 HydrophobicContact CE2-CG2 4.07Å; Y121-T125 PolarHBondContact O-N 3.13Å; Y121-T125 PolarHBondContact O-OG1 2.89Å; Y121-L146 HydrophobicContact CD2-CD2 3.59Å; Y121-L146 HydrophobicContact CE2-CD2 3.62Å; Y121-I149 HydrophobicContact CD2-CB 4.48Å; Y121-I149 HydrophobicContact CD2-CD1 3.99Å; Y121-I149 HydrophobicContact CD2-CG2 3.92Å; Y121-I149 HydrophobicContact CE2-CB 4.08Å; Y121-I149 HydrophobicContact CE2-CD1 4.35Å; Y121-I149 HydrophobicContact CE2-CG2 3.61Å; Y121-E150 WeakPolarHBondContact OH-CG 3.29Å; Y121-E150 PolarHBondContact OH-OE1 2.84Å
122R95.4Very high93.9Very high92 Ų9248.9 Ų48.935%0.34723%0.233SC..Hα-helixtrans-64.3-38.5174.1-177.4172.4170.4-173.8-1111.5K118 G119 T125 I126 F226K118-R122 PolarHBondContact O-N 3.23Å; K118-R122 VanDerWaalsContact O-N 3.07Å; G119-R122 PolarHBondContact O-N 3.47Å; R122-T125 WeakPolarHBondContact CA-OG1 3.2Å; R122-T125 PolarHBondContact O-OG1 3.46Å; R122-T125 VanDerWaalsContact O-OG1 3.1Å; R122-I126 HydrophobicContact CG-CD1 3.91Å; R122-I126 HydrophobicContact CG-CG1 4.43Å; R122-I126 WeakPolarHBondContact O-CB 3.37Å; R122-I126 WeakPolarHBondContact O-CD1 3.42Å; R122-I126 WeakPolarHBondContact O-CG1 3.46Å; R122-I126 PolarHBondContact O-N 3.29Å; R122-F226 HydrophobicContact CB-CE1 3.75Å; R122-F226 HydrophobicContact CB-CZ 3.67Å; R122-F226 HydrophobicContact CG-CD1 3.97Å; R122-F226 HydrophobicContact CG-CE1 3.52Å; R122-F226 HydrophobicContact CG-CE2 4.36Å; R122-F226 HydrophobicContact CG-CZ 3.75Å
123A96.3Very high94.2Very high5 Ų547.9 Ų47.94%0.04123%0.227CC..Hα-helixtrans-62.5-42.5175.200000112.9G119 L120 Y121 I126 R127 L227 L230 F566G119-A123 PolarHBondContact O-N 2.87Å; L120-A123 PolarHBondContact O-N 3.4Å; Y121-A123 VanDerWaalsContact C-N 3.34Å; Y121-A123 PolarHBondContact O-N 3.42Å; A123-I126 WeakPolarHBondContact O-CB 3.33Å; A123-I126 PolarHBondContact O-N 3.04Å; A123-R127 PolarHBondContact O-N 3.4Å; A123-L227 HydrophobicContact CB-CD2 3.54Å; A123-L230 HydrophobicContact CB-CD2 3.85Å; A123-F566 HydrophobicContact CB-CE1 4.22Å; A123-F566 HydrophobicContact CB-CZ 4.39Å; A123-F566 WeakPolarHBondContact O-CE1 3.37Å; A123-F566 WeakPolarHBondContact O-CZ 3.49Å
124L96.1Very high94.5Very high68 Ų6844.6 Ų44.636%0.35621%0.213SC..Hα-helixtrans-68.4-41.3178.4-73.2171.5000112.8L120 Y121 I126 R127 E128 L146L120-L124 WeakPolarHBondContact O-CG 3.41Å; L120-L124 PolarHBondContact O-N 2.91Å; Y121-L124 PolarHBondContact O-N 3.49Å; L124-I126 VanDerWaalsContact C-N 3.34Å; L124-R127 PolarHBondContact O-N 2.86Å; L124-E128 WeakPolarHBondContact O-CB 3.48Å; L124-E128 PolarHBondContact O-N 2.98Å; L124-L146 HydrophobicContact CB-CD1 4.31Å; L124-L146 HydrophobicContact CB-CD2 4.03Å
125T95.6Very high94.8Very high34 Ų3441.9 Ų41.921%0.20920%0.198CC..Hα-helixtrans-68.9-31175.349.50000112.5Y121 R122 K129 L146Y121-T125 HydrophobicContact CE1-CG2 4.21Å; Y121-T125 HydrophobicContact CE2-CG2 4.07Å; Y121-T125 PolarHBondContact O-N 3.13Å; Y121-T125 PolarHBondContact O-OG1 2.89Å; R122-T125 WeakPolarHBondContact CA-OG1 3.2Å; R122-T125 PolarHBondContact O-OG1 3.46Å; R122-T125 VanDerWaalsContact O-OG1 3.1Å; T125-K129 WeakPolarHBondContact O-CB 3.37Å; T125-K129 PolarHBondContact O-N 3.36Å; T125-L146 HydrophobicContact CG2-CD1 4.17Å; T125-L146 HydrophobicContact CG2-CD2 3.95Å
126I96.5Very high95Very high5 Ų538.9 Ų38.93%0.02618%0.178CC..Hα-helixtrans-60.1-52.2167.6-75.5168.2000110.6R122 A123 L124 E128 K129 Y130 D223 F226 L227 M567R122-I126 HydrophobicContact CG-CD1 3.91Å; R122-I126 HydrophobicContact CG-CG1 4.43Å; R122-I126 WeakPolarHBondContact O-CB 3.37Å; R122-I126 WeakPolarHBondContact O-CD1 3.42Å; R122-I126 WeakPolarHBondContact O-CG1 3.46Å; R122-I126 PolarHBondContact O-N 3.29Å; A123-I126 WeakPolarHBondContact O-CB 3.33Å; A123-I126 PolarHBondContact O-N 3.04Å; L124-I126 VanDerWaalsContact C-N 3.34Å; I126-E128 PolarHBondContact O-N 3.01Å; I126-K129 WeakPolarHBondContact O-CB 3.37Å; I126-K129 PolarHBondContact O-N 3.31Å; I126-Y130 HydrophobicContact CG2-CD2 4.18Å; I126-Y130 HydrophobicContact CG2-CE2 4.03Å; I126-Y130 WeakPolarHBondContact O-CD2 3.48Å; I126-Y130 PolarHBondContact O-N 2.84Å; I126-D223 HydrophobicContact CD1-CB 3.99Å; I126-D223 HydrophobicContact CG1-CB 4.3Å; I126-D223 WeakPolarHBondContact CG1-OD1 3.37Å; I126-D223 HydrophobicContact CG2-CB 4.04Å; I126-F226 HydrophobicContact CD1-CD1 3.58Å; I126-F226 HydrophobicContact CD1-CE1 4.1Å; I126-L227 HydrophobicContact CG2-CD1 4.26Å; I126-M567 HydrophobicContact CG2-CE 4.44Å; I126-M567 HydrophobicContact CG2-CG 4.05Å
127R96.3Very high95.2Very high38 Ų3842.5 Ų42.514%0.14319%0.194CC..Hα-helixtrans-60.8-45.5177.7178.3170.6175.174.73112A123 L124 K129 Y130 M131 F138 F566 A569 D570A123-R127 PolarHBondContact O-N 3.4Å; L124-R127 PolarHBondContact O-N 2.86Å; R127-K129 VanDerWaalsContact C-N 3.3Å; R127-K129 PolarHBondContact O-N 2.9Å; R127-Y130 PolarHBondContact O-N 2.92Å; R127-M131 HydrophobicContact CG-CE 4.42Å; R127-M131 HydrophobicContact CG-CG 4.05Å; R127-M131 WeakPolarHBondContact O-CG 3.36Å; R127-M131 PolarHBondContact O-N 3.49Å; R127-F138 HydrophobicContact CB-CE2 4.27Å; R127-F138 HydrophobicContact CG-CD2 4.12Å; R127-F138 HydrophobicContact CG-CE2 3.97Å; R127-F566 HydrophobicContact CB-CE1 3.97Å; R127-F566 HydrophobicContact CB-CE2 4.14Å; R127-F566 HydrophobicContact CB-CZ 3.71Å; R127-F566 VanDerWaalsContact CD-CE2 3.45Å; R127-F566 WeakPolarHBondContact CD-O 3.19Å; R127-F566 HydrophobicContact CG-CE2 4.38Å; R127-F566 HydrophobicContact CG-CZ 4.44Å; R127-F566 VanDerWaalsContact CG-O 3.31Å; R127-F566 WeakPolarHBondContact CG-O 3.36Å; R127-F566 PolarHBondContact NH1-O 3.4Å; R127-A569 VanDerWaalsContact CZ-O 3.25Å; R127-A569 PolarHBondContact NH1-O 3.38Å; R127-A569 PolarHBondContact NH2-O 3.14Å; R127-D570 PolarHBondContact NH2-O 2.99Å; R127-D570 VanDerWaalsContact NH2-O 3.08Å
128E95.3Very high95.3Very high15 Ų1541 Ų417%0.0718%0.182CC..Hα-helixtrans-59.6-39.7179-169.7-168-142.800112.2L124 I126 Y130 R132 F138 L146 R147L124-E128 WeakPolarHBondContact O-CB 3.48Å; L124-E128 PolarHBondContact O-N 2.98Å; I126-E128 PolarHBondContact O-N 3.01Å; E128-Y130 PolarHBondContact O-N 3.09Å; E128-R132 WeakPolarHBondContact O-CB 3.48Å; E128-R132 PolarHBondContact O-N 3.13Å; E128-R132 IonicContact OE1-NH2 2.7Å; E128-R132 IonicContact OE2-NH2 2.68Å; E128-R132 PolarHBondContact OE2-NH2 3.44Å; E128-F138 HydrophobicContact CB-CD1 4.05Å; E128-F138 HydrophobicContact CB-CD2 4.2Å; E128-F138 HydrophobicContact CB-CE1 3.84Å; E128-F138 HydrophobicContact CB-CE2 3.99Å; E128-F138 HydrophobicContact CB-CG 4.23Å; E128-F138 HydrophobicContact CB-CZ 3.81Å; E128-F138 HydrophobicContact CG-CD1 3.66Å; E128-F138 HydrophobicContact CG-CE1 3.78Å; E128-F138 HydrophobicContact CG-CG 4.07Å; E128-F138 HydrophobicContact CG-CZ 4.28Å; E128-L146 HydrophobicContact CB-CD1 4.4Å; E128-R147 IonicContact OE1-CZ 2.69Å; E128-R147 IonicContact OE1-NH2 3.78Å; E128-R147 PolarHBondContact OE1-NH2 2.77Å; E128-R147 IonicContact OE2-CZ 2.71Å; E128-R147 IonicContact OE2-NH2 2.78Å; E128-R147 PolarHBondContact OE2-NH2 2.73Å
129K95.4Very high95.3Very high78 Ų7838.2 Ų38.234%0.33918%0.176SC..Hα-helixtrans-56.2-47.3175.3177.4178.466.6-176.70111.8T125 I126 R127 L133 D223T125-K129 WeakPolarHBondContact O-CB 3.37Å; T125-K129 PolarHBondContact O-N 3.36Å; I126-K129 WeakPolarHBondContact O-CB 3.37Å; I126-K129 PolarHBondContact O-N 3.31Å; R127-K129 VanDerWaalsContact C-N 3.3Å; R127-K129 PolarHBondContact O-N 2.9Å; K129-L133 WeakPolarHBondContact O-CB 3.49Å; K129-L133 PolarHBondContact O-N 2.94Å; K129-D223 VanDerWaalsContact CE-OD2 3.3Å; K129-D223 WeakPolarHBondContact CE-OD2 3.22Å; K129-D223 VanDerWaalsContact NZ-CG 3.27Å; K129-D223 IonicContact NZ-OD1 2.81Å; K129-D223 PolarHBondContact NZ-OD1 2.67Å; K129-D223 VanDerWaalsContact NZ-OD1 3.08Å; K129-D223 IonicContact NZ-OD2 2.74Å; K129-D223 PolarHBondContact NZ-OD2 3.26Å
130Y97.3Very high95.2Very high4 Ų443.3 Ų43.32%0.01619%0.193CC..Hα-helixtrans-75-41.8-179.6-71.3-68.7000112.7I126 R127 E128 R132 L133 A134 P215 F220 D223 Y529 M567I126-Y130 HydrophobicContact CG2-CD2 4.18Å; I126-Y130 HydrophobicContact CG2-CE2 4.03Å; I126-Y130 WeakPolarHBondContact O-CD2 3.48Å; I126-Y130 PolarHBondContact O-N 2.84Å; R127-Y130 PolarHBondContact O-N 2.92Å; E128-Y130 PolarHBondContact O-N 3.09Å; Y130-R132 VanDerWaalsContact C-N 3.29Å; Y130-R132 PolarHBondContact O-N 2.84Å; Y130-L133 PolarHBondContact O-N 2.83Å; Y130-A134 PolarHBondContact O-N 2.61Å; Y130-P215 HydrophobicContact CE1-CB 4.19Å; Y130-F220 HydrophobicContact CE1-CD2 4.12Å; Y130-F220 AromaticContact CZ-CD2 3.99Å; Y130-F220 WeakPolarHBondContact OH-CA 3.3Å; Y130-D223 WeakPolarHBondContact CE2-OD2 3.16Å; Y130-D223 PolarHBondContact OH-OD2 3.34Å; Y130-Y529 AromaticContact CD1-CE1 3.69Å; Y130-Y529 HydrophobicContact CD1-CE1 3.69Å; Y130-Y529 AromaticContact CD1-CZ 3.81Å; Y130-Y529 HydrophobicContact CE1-CE1 4.35Å; Y130-Y529 PolarHBondContact O-OH 3.39Å; Y130-M567 WeakPolarHBondContact CB-O 3.21Å; Y130-M567 HydrophobicContact CD2-CB 4.1Å; Y130-M567 HydrophobicContact CD2-CE 4.27Å; Y130-M567 HydrophobicContact CE2-CB 4.47Å; Y130-M567 HydrophobicContact CE2-CE 3.53Å
131M96.6Very high95Very high0 Ų045.4 Ų45.40%021%0.208CC..Hα-helixtrans-57-45.8175.6-65.8-51.797.300111.3R127 L133 A134 Y135 Q136 H137 F138 M567 A569R127-M131 HydrophobicContact CG-CE 4.42Å; R127-M131 HydrophobicContact CG-CG 4.05Å; R127-M131 WeakPolarHBondContact O-CG 3.36Å; R127-M131 PolarHBondContact O-N 3.49Å; M131-L133 PolarHBondContact O-N 3.38Å; M131-A134 PolarHBondContact O-N 3.26Å; M131-Y135 PolarHBondContact O-N 3.1Å; M131-Q136 HydrophobicContact CB-CB 4.31Å; M131-Q136 PolarHBondContact O-N 3.31Å; M131-Q136 HydrophobicContact SD-CB 3.81Å; M131-Q136 PolarHBondContact SD-NE2 2.98Å; M131-H137 WeakPolarHBondContact CG-O 3.42Å; M131-F138 HydrophobicContact CB-CB 3.96Å; M131-F138 HydrophobicContact CG-CB 4.14Å; M131-F138 HydrophobicContact CG-CD2 4.03Å; M131-M567 WeakPolarHBondContact CE-O 3.47Å; M131-A569 WeakPolarHBondContact CE-O 3.18Å
132R95.2Very high94.9Very high114 Ų11443.2 Ų43.243%0.4321%0.205SC..Hα-helixtrans-63.1-40.2179.4-160.7-168-45.5-154.86.2112.9E128 Y130 A134 Y135 V160E128-R132 WeakPolarHBondContact O-CB 3.48Å; E128-R132 PolarHBondContact O-N 3.13Å; E128-R132 IonicContact OE1-NH2 2.7Å; E128-R132 IonicContact OE2-NH2 2.68Å; E128-R132 PolarHBondContact OE2-NH2 3.44Å; Y130-R132 VanDerWaalsContact C-N 3.29Å; Y130-R132 PolarHBondContact O-N 2.84Å; R132-A134 VanDerWaalsContact C-N 3.33Å; R132-A134 PolarHBondContact O-N 3Å; R132-Y135 PolarHBondContact O-N 3.43Å; R132-V160 HydrophobicContact CG-CB 4.37Å; R132-V160 HydrophobicContact CG-CG2 3.76Å
133L95.7Very high94.7Very high30 Ų3039.2 Ų39.216%0.15719%0.191CC..Hα-helixtrans-65.4-33.6-179.5174.660.6000112.8K129 Y130 M131 P213 P215 A533 Q537K129-L133 WeakPolarHBondContact O-CB 3.49Å; K129-L133 PolarHBondContact O-N 2.94Å; Y130-L133 PolarHBondContact O-N 2.83Å; M131-L133 PolarHBondContact O-N 3.38Å; L133-P213 HydrophobicContact CD1-CB 3.54Å; L133-P215 HydrophobicContact CD2-CB 4.06Å; L133-A533 HydrophobicContact CG-CB 4.33Å; L133-Q537 PolarHBondContact O-NE2 3.34Å
134A95.9Very high94.5Very high0 Ų043 Ų430%021%0.208CC..THydrogen-bonded Turntrans-95.71.9179.400000115Y130 M131 R132 Q136 Y529 A533 N536Y130-A134 PolarHBondContact O-N 2.61Å; M131-A134 PolarHBondContact O-N 3.26Å; R132-A134 VanDerWaalsContact C-N 3.33Å; R132-A134 PolarHBondContact O-N 3Å; A134-Q136 VanDerWaalsContact C-N 3.32Å; A134-Q136 HydrophobicContact CB-CG 3.99Å; A134-Y529 HydrophobicContact CB-CD2 4.46Å; A134-Y529 HydrophobicContact CB-CE2 3.58Å; A134-A533 HydrophobicContact CB-CB 4.05Å; A134-N536 PolarHBondContact O-ND2 3.38Å
135Y96Very high94.4Very high48 Ų4845.5 Ų45.519%0.18822%0.216CC..THydrogen-bonded Turntrans56.541.8-168.6-57.8-85000113.7M131 R132 V160 P162 N536 Q537 R540M131-Y135 PolarHBondContact O-N 3.1Å; R132-Y135 PolarHBondContact O-N 3.43Å; Y135-V160 HydrophobicContact CD1-CG1 3.71Å; Y135-V160 HydrophobicContact CG-CG1 4.31Å; Y135-P162 VanDerWaalsContact O-CA 3.23Å; Y135-P162 WeakPolarHBondContact O-CA 3.37Å; Y135-P162 WeakPolarHBondContact O-CG 3.46Å; Y135-N536 HydrophobicContact CD2-CB 4.1Å; Y135-Q537 HydrophobicContact CE2-CG 4.42Å; Y135-Q537 VanDerWaalsContact CE2-NE2 3.29Å; Y135-Q537 PolarHBondContact OH-OE1 2.91Å; Y135-R540 HydrophobicContact CD1-CG 4.27Å; Y135-R540 HydrophobicContact CD2-CB 4.28Å; Y135-R540 HydrophobicContact CE1-CG 3.84Å; Y135-R540 HydrophobicContact CE2-CB 3.89Å; Y135-R540 HydrophobicContact CE2-CG 4.05Å
136Q95.1Very high94.2Very high1 Ų144 Ų441%0.00521%0.207CC..  trans-99.2162.3175.9-73.7174.1-175.100111.7M131 A134 F549 T568 D570M131-Q136 HydrophobicContact CB-CB 4.31Å; M131-Q136 PolarHBondContact O-N 3.31Å; M131-Q136 HydrophobicContact SD-CB 3.81Å; M131-Q136 PolarHBondContact SD-NE2 2.98Å; A134-Q136 VanDerWaalsContact C-N 3.32Å; A134-Q136 HydrophobicContact CB-CG 3.99Å; Q136-F549 VanDerWaalsContact OE1-CB 3.23Å; Q136-T568 PolarHBondContact NE2-O 3.4Å; Q136-D570 HydrophobicContact CB-CB 4.12Å; Q136-D570 WeakPolarHBondContact CB-OD1 3.35Å; Q136-D570 HydrophobicContact CG-CB 3.97Å
137H94.1Very high94.1Very high76 Ų7645.2 Ų45.235%0.35221%0.211SC..  trans-68.7133.7-179.5-173.983.4000111.9M131 Q161 D570M131-H137 WeakPolarHBondContact CG-O 3.42Å; H137-Q161 PolarHBondContact CE1-NE2 3.38Å; H137-Q161 PolarHBondContact ND1-NE2 3.41Å; H137-Q161 PolarHBondContact ND1-OE1 2.87Å; H137-D570 PolarHBondContact N-OD1 3.21Å
138F93.8Very high93.9Very high14 Ų1449.9 Ų49.96%0.06123%0.234CC..  trans-127.2132.9163.7-172.1-104.3000109.6R127 E128 M131 R140 A142 S143 L146R127-F138 HydrophobicContact CB-CE2 4.27Å; R127-F138 HydrophobicContact CG-CD2 4.12Å; R127-F138 HydrophobicContact CG-CE2 3.97Å; E128-F138 HydrophobicContact CB-CD1 4.05Å; E128-F138 HydrophobicContact CB-CD2 4.2Å; E128-F138 HydrophobicContact CB-CE1 3.84Å; E128-F138 HydrophobicContact CB-CE2 3.99Å; E128-F138 HydrophobicContact CB-CG 4.23Å; E128-F138 HydrophobicContact CB-CZ 3.81Å; E128-F138 HydrophobicContact CG-CD1 3.66Å; E128-F138 HydrophobicContact CG-CE1 3.78Å; E128-F138 HydrophobicContact CG-CG 4.07Å; E128-F138 HydrophobicContact CG-CZ 4.28Å; M131-F138 HydrophobicContact CB-CB 3.96Å; M131-F138 HydrophobicContact CG-CB 4.14Å; M131-F138 HydrophobicContact CG-CD2 4.03Å; F138-R140 PolarHBondContact O-N 3.25Å; F138-A142 HydrophobicContact CE1-CB 3.82Å; F138-A142 HydrophobicContact CZ-CB 3.89Å; F138-S143 WeakPolarHBondContact CD1-OG 3.27Å; F138-L146 HydrophobicContact CE1-CD1 3.9Å; F138-L146 HydrophobicContact CZ-CD1 3.97Å
139P91.8Very high93.7Very high59 Ų5954.5 Ų54.538%0.38326%0.259SS..  trans-62.1120.7-169.6-25.835.2000113.3T141 A142 S143P139-T141 PolarHBondContact O-N 2.93Å; P139-T141 VanDerWaalsContact O-N 3.08Å; P139-A142 HydrophobicContact CB-CB 4.31Å; P139-A142 WeakPolarHBondContact O-CA 3.33Å; P139-A142 WeakPolarHBondContact O-CB 3.45Å; P139-A142 PolarHBondContact O-N 2.92Å; P139-S143 PolarHBondContact O-N 3.03Å; P139-S143 PolarHBondContact O-OG 3.13Å
140R91.3Very high93.4Very high113 Ų11354.3 Ų54.343%0.42626%0.259SS..Hα-helixtrans-44.9-44.4178.4177.3-178.3-67.7168.14113.1F138 A142 S143 Q144 F154 E159F138-R140 PolarHBondContact O-N 3.25Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 2.84Å; R140-S143 WeakPolarHBondContact O-CB 3.22Å; R140-S143 PolarHBondContact O-N 3.15Å; R140-Q144 HydrophobicContact CG-CG 4.43Å; R140-Q144 VanDerWaalsContact O-CG 3.31Å; R140-Q144 WeakPolarHBondContact O-CG 3.44Å; R140-Q144 PolarHBondContact O-N 3.35Å; R140-F154 HydrophobicContact CG-CE1 3.91Å; R140-F154 HydrophobicContact CG-CZ 3.9Å; R140-E159 IonicContact CZ-OE1 3.44Å; R140-E159 IonicContact CZ-OE2 3.84Å; R140-E159 IonicContact NE-OE1 2.71Å; R140-E159 IonicContact NE-OE2 2.71Å; R140-E159 PolarHBondContact NE-OE2 2.69Å; R140-E159 VanDerWaalsContact NH2-CD 3.32Å; R140-E159 IonicContact NH2-OE1 2.64Å; R140-E159 PolarHBondContact NH2-OE1 3.26Å; R140-E159 VanDerWaalsContact NH2-OE1 3.13Å; R140-E159 IonicContact NH2-OE2 3.1Å; R140-E159 PolarHBondContact NH2-OE2 3.48Å
141T91.1Very high93.2Very high88 Ų8857.4 Ų57.454%0.5429%0.292SS..Hα-helixtrans-61.1-39.5179-45.50000112.4P139 F145P139-T141 PolarHBondContact O-N 2.93Å; P139-T141 VanDerWaalsContact O-N 3.08Å; T141-F145 HydrophobicContact CG2-CD2 4.27Å; T141-F145 HydrophobicContact CG2-CE2 3.91Å; T141-F145 WeakPolarHBondContact O-CD2 3.44Å; T141-F145 PolarHBondContact O-N 2.85Å
142A91.9Very high92.9Very high26 Ų2661.6 Ų61.622%0.21532%0.315CS..Hα-helixtrans-68.8-44.1174.900000110.8F138 P139 R140 Q144 F145 L146F138-A142 HydrophobicContact CE1-CB 3.82Å; F138-A142 HydrophobicContact CZ-CB 3.89Å; P139-A142 HydrophobicContact CB-CB 4.31Å; P139-A142 WeakPolarHBondContact O-CA 3.33Å; P139-A142 WeakPolarHBondContact O-CB 3.45Å; P139-A142 PolarHBondContact O-N 2.92Å; R140-A142 VanDerWaalsContact C-N 3.33Å; R140-A142 PolarHBondContact O-N 2.84Å; A142-Q144 VanDerWaalsContact C-N 3.28Å; A142-Q144 PolarHBondContact O-N 2.71Å; A142-F145 PolarHBondContact O-N 3.32Å; A142-L146 WeakPolarHBondContact O-CG 3.32Å; A142-L146 PolarHBondContact O-N 2.9Å
143S92.1Very high92.6Very high8 Ų862 Ų626%0.05633%0.33CS..Hα-helixtrans-55.3-43.2174.5-40.30000112.1F138 P139 R140 L146 R147 F154F138-S143 WeakPolarHBondContact CD1-OG 3.27Å; P139-S143 PolarHBondContact O-N 3.03Å; P139-S143 PolarHBondContact O-OG 3.13Å; R140-S143 WeakPolarHBondContact O-CB 3.22Å; R140-S143 PolarHBondContact O-N 3.15Å; S143-L146 PolarHBondContact O-N 3.46Å; S143-R147 VanDerWaalsContact O-CG 3.3Å; S143-R147 WeakPolarHBondContact O-CG 3.46Å; S143-R147 PolarHBondContact O-N 3.38Å; S143-F154 VanDerWaalsContact CB-CE2 3.46Å
144Q92.6Very high92.2Very high84 Ų8462.2 Ų62.239%0.39333%0.33SS..Hα-helixtrans-60.6-48.4178-75.6169.5-16.400112R140 A142 Q148 F154R140-Q144 HydrophobicContact CG-CG 4.43Å; R140-Q144 VanDerWaalsContact O-CG 3.31Å; R140-Q144 WeakPolarHBondContact O-CG 3.44Å; R140-Q144 PolarHBondContact O-N 3.35Å; A142-Q144 VanDerWaalsContact C-N 3.28Å; A142-Q144 PolarHBondContact O-N 2.71Å; Q144-Q148 WeakPolarHBondContact O-CB 3.45Å; Q144-Q148 PolarHBondContact O-N 3.42Å; Q144-F154 HydrophobicContact CB-CB 4.43Å; Q144-F154 HydrophobicContact CG-CB 3.81Å; Q144-F154 HydrophobicContact CG-CD1 3.66Å; Q144-F154 HydrophobicContact CG-CD2 4.22Å; Q144-F154 HydrophobicContact CG-CE1 4.31Å; Q144-F154 HydrophobicContact CG-CG 3.6Å
145F92.3Very high91.9Very high121 Ų12167.7 Ų67.753%0.53135%0.354SS..Hα-helixtrans-66.1-39.2176.2-74-60.4000112.9T141 A142 Q148 I149T141-F145 HydrophobicContact CG2-CD2 4.27Å; T141-F145 HydrophobicContact CG2-CE2 3.91Å; T141-F145 WeakPolarHBondContact O-CD2 3.44Å; T141-F145 PolarHBondContact O-N 2.85Å; A142-F145 PolarHBondContact O-N 3.32Å; F145-Q148 PolarHBondContact O-N 2.88Å; F145-I149 WeakPolarHBondContact O-CD1 3.45Å; F145-I149 VanDerWaalsContact O-CG1 3.26Å; F145-I149 WeakPolarHBondContact O-CG1 3.43Å; F145-I149 PolarHBondContact O-N 2.82Å
146L92.9Very high91.4Very high3 Ų369.6 Ų69.62%0.01637%0.37CS..Hα-helixtrans-60.6-48.6176-70.3179.5000111.6Y121 L124 T125 E128 F138 A142 S143 Q148 I149 E150Y121-L146 HydrophobicContact CD2-CD2 3.59Å; Y121-L146 HydrophobicContact CE2-CD2 3.62Å; L124-L146 HydrophobicContact CB-CD1 4.31Å; L124-L146 HydrophobicContact CB-CD2 4.03Å; T125-L146 HydrophobicContact CG2-CD1 4.17Å; T125-L146 HydrophobicContact CG2-CD2 3.95Å; E128-L146 HydrophobicContact CB-CD1 4.4Å; F138-L146 HydrophobicContact CE1-CD1 3.9Å; F138-L146 HydrophobicContact CZ-CD1 3.97Å; A142-L146 WeakPolarHBondContact O-CG 3.32Å; A142-L146 PolarHBondContact O-N 2.9Å; S143-L146 PolarHBondContact O-N 3.46Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 2.78Å; L146-I149 PolarHBondContact O-N 2.68Å; L146-E150 WeakPolarHBondContact O-CG 3.28Å; L146-E150 PolarHBondContact O-N 3Å
147R93.3Very high90.8Very high30 Ų3077.2 Ų77.211%0.11341%0.405CS..Hα-helixtrans-62.7-41.3177-61.9-67156.7-110.7-20.3111.2E128 S143 I149 E150 G151 N152 F154E128-R147 IonicContact OE1-CZ 2.69Å; E128-R147 IonicContact OE1-NH2 3.78Å; E128-R147 PolarHBondContact OE1-NH2 2.77Å; E128-R147 IonicContact OE2-CZ 2.71Å; E128-R147 IonicContact OE2-NH2 2.78Å; E128-R147 PolarHBondContact OE2-NH2 2.73Å; S143-R147 VanDerWaalsContact O-CG 3.3Å; S143-R147 WeakPolarHBondContact O-CG 3.46Å; S143-R147 PolarHBondContact O-N 3.38Å; R147-I149 VanDerWaalsContact C-N 3.33Å; R147-I149 PolarHBondContact O-N 2.8Å; R147-E150 IonicContact CZ-OE2 3.79Å; R147-E150 IonicContact NH1-OE1 3.78Å; R147-E150 PolarHBondContact NH1-OE1 3.13Å; R147-E150 IonicContact NH1-OE2 3.65Å; R147-E150 PolarHBondContact NH1-OE2 2.85Å; R147-E150 CarbonylContact O-C 3.42Å; R147-E150 WeakPolarHBondContact O-CB 3.48Å; R147-E150 PolarHBondContact O-N 2.99Å; R147-E150 VanDerWaalsContact O-N 3.11Å; R147-G151 PolarHBondContact O-N 3.43Å; R147-N152 CarbonylContact C-O 3.59Å; R147-N152 HydrophobicContact CB-CB 4Å; R147-N152 WeakPolarHBondContact CB-O 3.3Å; R147-N152 WeakPolarHBondContact O-CA 3.45Å; R147-N152 PolarHBondContact O-N 3.2Å; R147-F154 HydrophobicContact CB-CB 4.31Å; R147-F154 HydrophobicContact CG-CB 4.29Å; R147-F154 HydrophobicContact CG-CD2 4.44Å
148Q92Very high90.3Very high135 Ų13577.7 Ų77.763%0.63141%0.41SS*.Hα-helixtrans-60-40.4176.5-172.3-179.68.400112.6Q144 F145 L146 E150 G151 N152Q144-Q148 WeakPolarHBondContact O-CB 3.45Å; Q144-Q148 PolarHBondContact O-N 3.42Å; F145-Q148 PolarHBondContact O-N 2.88Å; L146-Q148 VanDerWaalsContact C-N 3.34Å; L146-Q148 PolarHBondContact O-N 2.78Å; Q148-E150 VanDerWaalsContact C-N 3.29Å; Q148-E150 PolarHBondContact O-N 2.8Å; Q148-G151 PolarHBondContact O-N 2.93Å; Q148-G151 VanDerWaalsContact O-N 3.13Å; Q148-N152 PolarHBondContact N-O 3.2Å
149I91Very high89.9Confident113 Ų11379 Ų7958%0.57942%0.417SS*.Hα-helixtrans-63.9-34.6175.9-70.1162.6000111.6Y121 F145 L146 R147 G151Y121-I149 HydrophobicContact CD2-CB 4.48Å; Y121-I149 HydrophobicContact CD2-CD1 3.99Å; Y121-I149 HydrophobicContact CD2-CG2 3.92Å; Y121-I149 HydrophobicContact CE2-CB 4.08Å; Y121-I149 HydrophobicContact CE2-CD1 4.35Å; Y121-I149 HydrophobicContact CE2-CG2 3.61Å; F145-I149 WeakPolarHBondContact O-CD1 3.45Å; F145-I149 VanDerWaalsContact O-CG1 3.26Å; F145-I149 WeakPolarHBondContact O-CG1 3.43Å; F145-I149 PolarHBondContact O-N 2.82Å; L146-I149 PolarHBondContact O-N 2.68Å; R147-I149 VanDerWaalsContact C-N 3.33Å; R147-I149 PolarHBondContact O-N 2.8Å; I149-G151 VanDerWaalsContact C-N 3.27Å; I149-G151 PolarHBondContact O-N 3.45Å
150E90.6Very high89.8Confident73 Ų7378 Ų7834%0.34141%0.41SS..THydrogen-bonded Turntrans-77.4-6.1175-63.4168.1173.800114Y121 L146 R147 Q148 N152Y121-E150 WeakPolarHBondContact OH-CG 3.29Å; Y121-E150 PolarHBondContact OH-OE1 2.84Å; L146-E150 WeakPolarHBondContact O-CG 3.28Å; L146-E150 PolarHBondContact O-N 3Å; R147-E150 IonicContact CZ-OE2 3.79Å; R147-E150 IonicContact NH1-OE1 3.78Å; R147-E150 PolarHBondContact NH1-OE1 3.13Å; R147-E150 IonicContact NH1-OE2 3.65Å; R147-E150 PolarHBondContact NH1-OE2 2.85Å; R147-E150 CarbonylContact O-C 3.42Å; R147-E150 WeakPolarHBondContact O-CB 3.48Å; R147-E150 PolarHBondContact O-N 2.99Å; R147-E150 VanDerWaalsContact O-N 3.11Å; Q148-E150 VanDerWaalsContact C-N 3.29Å; Q148-E150 PolarHBondContact O-N 2.8Å; E150-N152 VanDerWaalsContact C-N 3.29Å; E150-N152 HydrophobicContact CB-CB 4.43Å; E150-N152 WeakPolarHBondContact CB-ND2 3.34Å; E150-N152 PolarHBondContact OE2-ND2 3.08Å
151G91.3Very high89.7Confident70 Ų7075.6 Ų75.672%0.72240%0.403SS*.THydrogen-bonded Turntrans77.411.1-170.500000114.5R147 Q148 I149R147-G151 PolarHBondContact O-N 3.43Å; Q148-G151 PolarHBondContact O-N 2.93Å; Q148-G151 VanDerWaalsContact O-N 3.13Å; I149-G151 VanDerWaalsContact C-N 3.27Å; I149-G151 PolarHBondContact O-N 3.45Å
152N91Very high89.8Confident88 Ų8872.5 Ų72.547%0.47139%0.385SS..PPolyproline II helixtrans-94.8147.4179.4-69.8-46.9000111.8R147 Q148 E150R147-N152 CarbonylContact C-O 3.59Å; R147-N152 HydrophobicContact CB-CB 4Å; R147-N152 WeakPolarHBondContact CB-O 3.3Å; R147-N152 WeakPolarHBondContact O-CA 3.45Å; R147-N152 PolarHBondContact O-N 3.2Å; Q148-N152 PolarHBondContact N-O 3.2Å; E150-N152 VanDerWaalsContact C-N 3.29Å; E150-N152 HydrophobicContact CB-CB 4.43Å; E150-N152 WeakPolarHBondContact CB-ND2 3.34Å; E150-N152 PolarHBondContact OE2-ND2 3.08Å
153T88.4Confident89.8Confident122 Ų12272.6 Ų72.675%0.74838%0.383SS*.PPolyproline II helixtrans-86.1129.1167.7-45.60000110
154F88.8Confident89.8Confident34 Ų3477.5 Ų77.515%0.14940%0.403CS..PPolyproline II helixtrans-66.5138.1171.9173.6-91000111.3R140 S143 Q144 R147 V156 E159R140-F154 HydrophobicContact CG-CE1 3.91Å; R140-F154 HydrophobicContact CG-CZ 3.9Å; S143-F154 VanDerWaalsContact CB-CE2 3.46Å; Q144-F154 HydrophobicContact CB-CB 4.43Å; Q144-F154 HydrophobicContact CG-CB 3.81Å; Q144-F154 HydrophobicContact CG-CD1 3.66Å; Q144-F154 HydrophobicContact CG-CD2 4.22Å; Q144-F154 HydrophobicContact CG-CE1 4.31Å; Q144-F154 HydrophobicContact CG-CG 3.6Å; R147-F154 HydrophobicContact CB-CB 4.31Å; R147-F154 HydrophobicContact CG-CB 4.29Å; R147-F154 HydrophobicContact CG-CD2 4.44Å; F154-V156 HydrophobicContact CE1-CG2 4.44Å; F154-E159 HydrophobicContact CZ-CB 4.19Å; F154-E159 HydrophobicContact CZ-CG 4.5Å
155K88.4Confident89.5Confident116 Ų11676.1 Ų76.150%0.50440%0.398SS..  trans-118.2144.8177.1-65.2178-174.5169.80109.9E157 D158K155-E157 WeakPolarHBondContact CB-OE2 3.35Å; K155-E157 PolarHBondContact O-N 3.43Å; K155-D158 HydrophobicContact CB-CB 4.31Å; K155-D158 PolarHBondContact O-N 3.23Å
156V85.3Confident89.2Confident88 Ų8874.2 Ų74.253%0.53341%0.405SS..G310 helixtrans-72.1-25.8178.2-175.70000110.5F154 D158 E159F154-V156 HydrophobicContact CE1-CG2 4.44Å; V156-D158 VanDerWaalsContact C-N 3.3Å; V156-D158 PolarHBondContact O-N 2.85Å; V156-E159 WeakPolarHBondContact O-CB 3.46Å; V156-E159 PolarHBondContact O-N 3.07Å
157E84Confident88.7Confident160 Ų16078.9 Ų78.975%0.74844%0.436SS*.G310 helixtrans-70.7-23.5176.2-5776.1-169.500113K155 E159K155-E157 WeakPolarHBondContact CB-OE2 3.35Å; K155-E157 PolarHBondContact O-N 3.43Å; E157-E159 VanDerWaalsContact C-N 3.26Å
158D82.4Confident88.3Confident86 Ų8679 Ų7946%0.4644%0.44SS..G310 helixtrans-81.9-5.9174.2-64.8-23.1000111.9K155 V156 V160K155-D158 HydrophobicContact CB-CB 4.31Å; K155-D158 PolarHBondContact O-N 3.23Å; V156-D158 VanDerWaalsContact C-N 3.3Å; V156-D158 PolarHBondContact O-N 2.85Å; D158-V160 PolarHBondContact O-N 2.96Å
159E86.3Confident87.9Confident41 Ų4180.4 Ų80.419%0.19244%0.444CS..  trans-79.4114.4-176.8-165.2177.1137.500111.8R140 F154 V156 E157 Q161R140-E159 IonicContact CZ-OE1 3.44Å; R140-E159 IonicContact CZ-OE2 3.84Å; R140-E159 IonicContact NE-OE1 2.71Å; R140-E159 IonicContact NE-OE2 2.71Å; R140-E159 PolarHBondContact NE-OE2 2.69Å; R140-E159 VanDerWaalsContact NH2-CD 3.32Å; R140-E159 IonicContact NH2-OE1 2.64Å; R140-E159 PolarHBondContact NH2-OE1 3.26Å; R140-E159 VanDerWaalsContact NH2-OE1 3.13Å; R140-E159 IonicContact NH2-OE2 3.1Å; R140-E159 PolarHBondContact NH2-OE2 3.48Å; F154-E159 HydrophobicContact CZ-CB 4.19Å; F154-E159 HydrophobicContact CZ-CG 4.5Å; V156-E159 WeakPolarHBondContact O-CB 3.46Å; V156-E159 PolarHBondContact O-N 3.07Å; E157-E159 VanDerWaalsContact C-N 3.26Å; E159-Q161 HydrophobicContact CG-CG 4.43Å; E159-Q161 PolarHBondContact OE1-NE2 2.86Å
160V88.4Confident87.3Confident39 Ų3983.5 Ų83.524%0.23646%0.462CS..  trans-89.3129176.2175.30000110.1R132 Y135 D158R132-V160 HydrophobicContact CG-CB 4.37Å; R132-V160 HydrophobicContact CG-CG2 3.76Å; Y135-V160 HydrophobicContact CD1-CG1 3.71Å; Y135-V160 HydrophobicContact CG-CG1 4.31Å; D158-V160 PolarHBondContact O-N 2.96Å
161Q89.3Confident86.7Confident63 Ų6384.3 Ų84.329%0.29449%0.49SS..  trans-132.5151.5176.8-66.1-63.1-13.400110.7H137 E159H137-Q161 PolarHBondContact CE1-NE2 3.38Å; H137-Q161 PolarHBondContact ND1-NE2 3.41Å; H137-Q161 PolarHBondContact ND1-OE1 2.87Å; E159-Q161 HydrophobicContact CG-CG 4.43Å; E159-Q161 PolarHBondContact OE1-NE2 2.86Å
162P92.9Very high86.4Confident23 Ų2385.3 Ų85.315%0.14948%0.476CS..  trans-58.5145.4171-22.432.3000112.7Y135 F164 T548Y135-P162 VanDerWaalsContact O-CA 3.23Å; Y135-P162 WeakPolarHBondContact O-CA 3.37Å; Y135-P162 WeakPolarHBondContact O-CG 3.46Å; P162-F164 HydrophobicContact CB-CE1 4.26Å; P162-F164 HydrophobicContact CB-CE2 3.79Å; P162-F164 HydrophobicContact CB-CZ 3.63Å; P162-F164 HydrophobicContact CG-CE2 4.47Å; P162-F164 HydrophobicContact CG-CZ 4.32Å; P162-T548 HydrophobicContact CB-CG2 4Å; P162-T548 HydrophobicContact CG-CG2 3.7Å
163V92.8Very high86.2Confident28 Ų2884.5 Ų84.517%0.1747%0.472CS..  trans-94.7121.4172.9-172.20000108.9R540 N545 T546V163-R540 VanDerWaalsContact CG2-NH1 3.28Å; V163-N545 CarbonylContact O-C 3.57Å; V163-N545 WeakPolarHBondContact O-CA 3.44Å; V163-N545 VanDerWaalsContact O-CB 3.25Å; V163-N545 WeakPolarHBondContact O-CB 3.45Å; V163-T546 HydrophobicContact CB-CG2 4.26Å; V163-T546 HydrophobicContact CG2-CG2 4.17Å; V163-T546 PolarHBondContact N-OG1 2.87Å; V163-T546 PolarHBondContact O-N 2.8Å
164F91.1Very high86.1Confident111 Ų11179.9 Ų79.949%0.48744%0.444SS..  trans-115.5149.2170.2-57.7-62.6000110P162 T487 T548P162-F164 HydrophobicContact CB-CE1 4.26Å; P162-F164 HydrophobicContact CB-CE2 3.79Å; P162-F164 HydrophobicContact CB-CZ 3.63Å; P162-F164 HydrophobicContact CG-CE2 4.47Å; P162-F164 HydrophobicContact CG-CZ 4.32Å; F164-T487 HydrophobicContact CD1-CG2 4.17Å; F164-T487 HydrophobicContact CE1-CG2 4.12Å; F164-T548 HydrophobicContact CZ-CG2 4.15Å
165N87.3Confident86.2Confident54 Ų5478.8 Ų78.829%0.28944%0.439SS..PPolyproline II helixtrans-71.7140.9172.8-61.6-51.6000109.7K484 N545N165-K484 VanDerWaalsContact ND2-CA 3.26Å; N165-K484 WeakPolarHBondContact ND2-CA 3.15Å; N165-K484 PolarHBondContact ND2-O 3.48Å; N165-N545 WeakPolarHBondContact ND2-CB 3.32Å; N165-N545 PolarHBondContact ND2-OD1 3.36Å
166A85Confident86Confident81 Ų8174.3 Ų74.367%0.66943%0.427SS*.PPolyproline II helixtrans-60.3158172.900000111.2
167P82.9Confident86.1Confident102 Ų10274.3 Ų74.366%0.66243%0.427SS*.PPolyproline II helixtrans-56.1145.4164.1-21.833.8000110.9
168P84.6Confident85.8Confident33 Ų3371.5 Ų71.521%0.21443%0.425CS..PPolyproline II helixtrans-58.3153.5168.8-13.224.5000110.9E172 P174 F429P168-E172 HydrophobicContact CB-CB 4.16Å; P168-E172 HydrophobicContact CB-CG 4.39Å; P168-P174 HydrophobicContact CG-CB 3.8Å; P168-F429 HydrophobicContact CG-CE2 4.49Å; P168-F429 HydrophobicContact CG-CZ 3.97Å
169K84.3Confident85.8Confident163 Ų16372.4 Ų72.471%0.70943%0.43SS*.PPolyproline II helixtrans-81.5163.4174.8-62.3165.1-169.6159.10111.4G171 E172K169-G171 PolarHBondContact O-N 2.8Å; K169-G171 VanDerWaalsContact O-N 3.12Å; K169-E172 HydrophobicContact CB-CB 4.38Å; K169-E172 WeakPolarHBondContact CB-OE2 3.37Å; K169-E172 PolarHBondContact N-OE2 2.85Å; K169-E172 VanDerWaalsContact O-CB 3.24Å; K169-E172 WeakPolarHBondContact O-CB 3.37Å; K169-E172 PolarHBondContact O-N 3.15Å
170D77.8Confident85.9Confident178 Ų17871.3 Ų71.395%0.95243%0.425SS*.THydrogen-bonded Turntrans-56.6116.9174.9-61.1-44.4000111
171G77.7Confident86.1Confident91 Ų9171.7 Ų71.794%0.93843%0.428SS*.THydrogen-bonded Turntrans89-0.7-17800000116K169K169-G171 PolarHBondContact O-N 2.8Å; K169-G171 VanDerWaalsContact O-N 3.12Å
172E85.5Confident86.3Confident91 Ų9176 Ų7643%0.42545%0.448SS..  trans-80.9138.8172.9-166.8-178.514800110.7P168 K169 P174P168-E172 HydrophobicContact CB-CB 4.16Å; P168-E172 HydrophobicContact CB-CG 4.39Å; K169-E172 HydrophobicContact CB-CB 4.38Å; K169-E172 WeakPolarHBondContact CB-OE2 3.37Å; K169-E172 PolarHBondContact N-OE2 2.85Å; K169-E172 VanDerWaalsContact O-CB 3.24Å; K169-E172 WeakPolarHBondContact O-CB 3.37Å; K169-E172 PolarHBondContact O-N 3.15Å; E172-P174 WeakPolarHBondContact O-CD 3.32Å
173D87Confident86.3Confident71 Ų7178.5 Ų78.538%0.3846%0.461SS..  trans-81.4113.4172.9-168.9-16.4000110.3L175 G176 R427D173-L175 PolarHBondContact O-N 3.47Å; D173-L175 PolarHBondContact OD1-N 2.82Å; D173-G176 PolarHBondContact O-N 3.25Å; D173-R427 IonicContact OD1-CZ 2.66Å; D173-R427 IonicContact OD1-NH1 3.82Å; D173-R427 PolarHBondContact OD1-NH1 2.86Å; D173-R427 IonicContact OD1-NH2 3.99Å; D173-R427 PolarHBondContact OD1-NH2 3.23Å; D173-R427 IonicContact OD2-CZ 3.21Å; D173-R427 IonicContact OD2-NH1 2.89Å; D173-R427 PolarHBondContact OD2-NH1 3.23Å; D173-R427 IonicContact OD2-NH2 2.95Å; D173-R427 PolarHBondContact OD2-NH2 3.38Å
174P86.8Confident86.3Confident24 Ų2480.3 Ų80.316%0.15647%0.469CS..THydrogen-bonded Turntrans-57.8-13.817522.1-34.3000114.9P168 E172 F429 H485P168-P174 HydrophobicContact CG-CB 3.8Å; E172-P174 WeakPolarHBondContact O-CD 3.32Å; P174-F429 HydrophobicContact CB-CD1 3.82Å; P174-F429 HydrophobicContact CB-CD2 3.72Å; P174-F429 HydrophobicContact CB-CE1 3.79Å; P174-F429 HydrophobicContact CB-CE2 3.69Å; P174-F429 HydrophobicContact CB-CG 3.78Å; P174-F429 HydrophobicContact CB-CZ 3.73Å; P174-F429 HydrophobicContact CG-CB 4.5Å; P174-F429 HydrophobicContact CG-CD1 3.46Å; P174-F429 VanDerWaalsContact CG-CD1 3.46Å; P174-F429 HydrophobicContact CG-CD2 4.25Å; P174-F429 HydrophobicContact CG-CE1 3.65Å; P174-F429 HydrophobicContact CG-CE2 4.41Å; P174-F429 HydrophobicContact CG-CG 3.78Å; P174-F429 HydrophobicContact CG-CZ 4.13Å; P174-H485 VanDerWaalsContact CB-CE1 3.48Å; P174-H485 WeakPolarHBondContact CB-CE1 3.38Å; P174-H485 PolarHBondContact O-NE2 3.19Å
175L90.3Very high86.3Confident11 Ų1177.2 Ų77.26%0.05847%0.468CS..THydrogen-bonded Turntrans-114.718.3-179.4-52.1176.1000112.1D173 F423 R427 I481D173-L175 PolarHBondContact O-N 3.47Å; D173-L175 PolarHBondContact OD1-N 2.82Å; L175-F423 HydrophobicContact CD2-CD1 4.2Å; L175-F423 HydrophobicContact CD2-CE1 3.41Å; L175-F423 VanDerWaalsContact CD2-CE1 3.41Å; L175-F423 HydrophobicContact CD2-CZ 3.98Å; L175-R427 HydrophobicContact CD1-CB 3.81Å; L175-R427 HydrophobicContact CD1-CG 3.71Å; L175-I481 HydrophobicContact CB-CG2 4.2Å; L175-I481 HydrophobicContact CD2-CG2 3.53Å; L175-I481 HydrophobicContact CG-CG2 4.48Å; L175-I481 VanDerWaalsContact O-CD1 3.23Å; L175-I481 WeakPolarHBondContact O-CD1 3.35Å
176G85.2Confident86.7Confident23 Ų2377.5 Ų77.524%0.23747%0.466CS..  trans-68.9141.9177.600000114.4D173D173-G176 PolarHBondContact O-N 3.25Å
177T85.8Confident87.2Confident88 Ų8875.4 Ų75.454%0.5444%0.444SS..SBendtrans-95.6-8.3178.849.90000114.6D179 L180 P477 I481T177-D179 VanDerWaalsContact C-N 3.26Å; T177-D179 PolarHBondContact O-N 2.99Å; T177-L180 HydrophobicContact CG2-CD1 4.23Å; T177-L180 WeakPolarHBondContact O-CG 3.49Å; T177-P477 HydrophobicContact CG2-CB 3.93Å; T177-I481 HydrophobicContact CG2-CD1 3.74Å
178S77.9Confident87.8Confident101 Ų10171 Ų7171%0.70642%0.417SS*.THydrogen-bonded Turntrans-58.4-38.3-179.248.90000112.9L180S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 2.87Å
179D82.7Confident88.3Confident105 Ų10573.7 Ų73.756%0.56142%0.423SS*.THydrogen-bonded Turntrans-98.648.5-170.2-65.742.9000110T177 K484T177-D179 VanDerWaalsContact C-N 3.26Å; T177-D179 PolarHBondContact O-N 2.99Å; D179-K484 PolarHBondContact O-NZ 3.45Å
180L89.2Confident88.9Confident18 Ų1867.2 Ų67.29%0.09440%0.395CS..  trans-111.3110.9177.9-70-176.6000110.4T177 S178 P473 Q474 P477T177-L180 HydrophobicContact CG2-CD1 4.23Å; T177-L180 WeakPolarHBondContact O-CG 3.49Å; S178-L180 VanDerWaalsContact C-N 3.3Å; S178-L180 PolarHBondContact O-N 2.87Å; L180-P473 HydrophobicContact CB-CB 4.34Å; L180-P473 HydrophobicContact CD2-CB 4.37Å; L180-Q474 PolarHBondContact O-NE2 3.15Å; L180-P477 HydrophobicContact CD1-CB 3.72Å; L180-P477 HydrophobicContact CD1-CG 4.47Å
181P91.8Very high89.6Confident46 Ų4663.5 Ų63.530%0.29937%0.371SS..PPolyproline II helixtrans-56.5151.6-179.7-27.235.6000113.7P473 R542 L544P181-P473 HydrophobicContact CB-CG 4.31Å; P181-P473 VanDerWaalsContact O-CD 3.31Å; P181-P473 WeakPolarHBondContact O-CD 3.45Å; P181-P473 WeakPolarHBondContact O-CG 3.12Å; P181-R542 VanDerWaalsContact CB-NH2 3.35Å; P181-L544 HydrophobicContact CG-CD2 4.49Å
182E93.3Very high90.3Very high153 Ų15361.7 Ų61.772%0.71534%0.339SS*.PPolyproline II helixtrans-64.3164.8178.9-59.5-178.6158.300113.2R542E182-R542 PolarHBondContact O-NH2 3.45Å
183N94.7Very high90.7Very high77 Ų7757.3 Ų57.341%0.41232%0.319SS..PPolyproline II helixtrans-69.5133.5174.6-174.2-14.6000111.3G185 I471 D472N183-G185 VanDerWaalsContact C-N 3.31Å; N183-G185 PolarHBondContact O-N 2.92Å; N183-G185 PolarHBondContact OD1-N 2.77Å; N183-I471 WeakPolarHBondContact CA-O 3.46Å; N183-D472 HydrophobicContact CB-CB 3.95Å; N183-D472 VanDerWaalsContact ND2-CG 3.33Å; N183-D472 PolarHBondContact ND2-OD2 3.28Å
184L91.5Very high91.1Very high65 Ų6554.9 Ų54.934%0.3431%0.306SS..  trans-78.6-7.5176.3-63.5178.5000114.7Y186 I471 L538 R542L184-Y186 HydrophobicContact CB-CD1 4.06Å; L184-Y186 HydrophobicContact CB-CD2 3.98Å; L184-Y186 HydrophobicContact CB-CE1 4.3Å; L184-Y186 HydrophobicContact CB-CE2 4.23Å; L184-Y186 HydrophobicContact CB-CG 3.9Å; L184-Y186 HydrophobicContact CD1-CD2 3.87Å; L184-Y186 HydrophobicContact CD1-CE2 3.76Å; L184-Y186 WeakPolarHBondContact O-CD1 3.36Å; L184-Y186 PolarHBondContact O-N 2.89Å; L184-I471 HydrophobicContact CB-CG2 4.44Å; L184-I471 PolarHBondContact N-O 2.8Å; L184-I471 VanDerWaalsContact N-O 3.13Å; L184-L538 HydrophobicContact CD1-CD1 4.45Å; L184-R542 HydrophobicContact CD1-CG 4.09Å
185G91.9Very high91.6Very high46 Ų4653.9 Ų53.947%0.47430%0.299SS..  trans74.7-4.9-172.800000114.8N183N183-G185 VanDerWaalsContact C-N 3.31Å; N183-G185 PolarHBondContact O-N 2.92Å; N183-G185 PolarHBondContact OD1-N 2.77Å
186Y95.2Very high91.8Very high60 Ų6055.8 Ų55.824%0.23531%0.306CS..  trans-67.3160.1-177.2-63.8-5.6000112.4L184 V197 Y198 N199 K210 I471 L538L184-Y186 HydrophobicContact CB-CD1 4.06Å; L184-Y186 HydrophobicContact CB-CD2 3.98Å; L184-Y186 HydrophobicContact CB-CE1 4.3Å; L184-Y186 HydrophobicContact CB-CE2 4.23Å; L184-Y186 HydrophobicContact CB-CG 3.9Å; L184-Y186 HydrophobicContact CD1-CD2 3.87Å; L184-Y186 HydrophobicContact CD1-CE2 3.76Å; L184-Y186 WeakPolarHBondContact O-CD1 3.36Å; L184-Y186 PolarHBondContact O-N 2.89Å; Y186-V197 HydrophobicContact CD2-CG1 3.81Å; Y186-V197 HydrophobicContact CG-CG1 4.3Å; Y186-Y198 CarbonylContact C-O 3.11Å; Y186-Y198 VanDerWaalsContact CA-O 3.22Å; Y186-Y198 WeakPolarHBondContact CA-O 3.37Å; Y186-Y198 VanDerWaalsContact CB-O 3.26Å; Y186-Y198 WeakPolarHBondContact CB-O 3.44Å; Y186-N199 WeakPolarHBondContact CD1-O 3.49Å; Y186-K210 HydrophobicContact CE2-CD 4.34Å; Y186-I471 WeakPolarHBondContact O-CG2 3.29Å; Y186-L538 HydrophobicContact CD2-CD1 4.39Å; Y186-L538 HydrophobicContact CE2-CD1 4.34Å
187V95.4Very high92.3Very high37 Ų3754.8 Ų54.822%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-120.9140.5173.6176.40000109.1R189 V197 Y198 A201 A204V187-R189 HydrophobicContact CG1-CG 4.25Å; V187-V197 CarbonylContact O-C 3.55Å; V187-V197 WeakPolarHBondContact O-CA 3.31Å; V187-Y198 PolarHBondContact N-O 3.05Å; V187-Y198 PolarHBondContact O-N 3.35Å; V187-A201 HydrophobicContact CG2-CB 4.17Å; V187-A204 HydrophobicContact CB-CB 4.41Å; V187-A204 HydrophobicContact CG1-CB 4.13Å
188A96.1Very high92.8Very high10 Ų1051 Ų518%0.08327%0.271CS..EExtended strand (participates in β ladder)trans-115.3135.9172.900000110.2M195 Y196 L464 F467 I471A188-M195 HydrophobicContact CB-CE 3.53Å; A188-Y196 WeakPolarHBondContact CA-O 3.12Å; A188-L464 HydrophobicContact CB-CD1 4.26Å; A188-F467 HydrophobicContact CB-CB 4.01Å; A188-I471 HydrophobicContact CB-CD1 3.85Å
189R95.3Very high93.6Very high90 Ų9050.1 Ų50.134%0.3426%0.258SS..EExtended strand (participates in β ladder)trans-139143.7174.4-62.7-176.9178166.9-1.2109.7V187 Y196 Y198 A204 D205V187-R189 HydrophobicContact CG1-CG 4.25Å; R189-Y196 PolarHBondContact N-O 3.29Å; R189-Y196 PolarHBondContact O-N 3.06Å; R189-Y198 HydrophobicContact CB-CE2 4.07Å; R189-Y198 HydrophobicContact CG-CE2 4.44Å; R189-A204 VanDerWaalsContact NH1-C 3.28Å; R189-A204 PolarHBondContact NH1-O 3.35Å; R189-D205 IonicContact CZ-OD1 2.9Å; R189-D205 IonicContact NH1-OD1 2.74Å; R189-D205 PolarHBondContact NH1-OD1 3.1Å; R189-D205 IonicContact NH2-OD1 2.91Å; R189-D205 PolarHBondContact NH2-OD1 3.46Å
190M95Very high94.1Very high27 Ų2748.6 Ų48.613%0.13325%0.25CS..EExtended strand (participates in β ladder)trans-81.8142.4169.3-173.1156.7-75.400110.3L194 M195 G456 L459 E460M190-L194 CarbonylContact C-O 3.55Å; M190-L194 WeakPolarHBondContact CA-O 3.34Å; M190-M195 HydrophobicContact CB-SD 3.8Å; M190-M195 HydrophobicContact CE-CG 3.78Å; M190-M195 HydrophobicContact CE-SD 3.72Å; M190-G456 VanDerWaalsContact SD-O 3.39Å; M190-L459 HydrophobicContact CE-CB 3.82Å; M190-L459 HydrophobicContact SD-CB 3.74Å; M190-E460 HydrophobicContact CB-CB 4.43Å; M190-E460 HydrophobicContact CB-CG 4.34Å; M190-E460 HydrophobicContact CE-CB 4.5Å; M190-E460 HydrophobicContact SD-CB 3.96Å
191K93.2Very high94.2Very high99 Ų9950.1 Ų50.143%0.4327%0.266SS..EExtended strand (participates in β ladder)trans-151.3138.6167.2-176.8-167.8170.9-161.20109.5G193 L194 Y196K191-G193 PolarHBondContact O-N 2.85Å; K191-G193 VanDerWaalsContact O-N 3.13Å; K191-L194 PolarHBondContact N-O 3.29Å; K191-L194 PolarHBondContact O-N 3.36Å; K191-L194 VanDerWaalsContact O-O 3.13Å; K191-Y196 HydrophobicContact CB-CD2 3.97Å; K191-Y196 HydrophobicContact CB-CE2 4.04Å
192D93.4Very high94.2Very high53 Ų5350.2 Ų50.228%0.28327%0.27SS..THydrogen-bonded Turntrans53.930.1-178.3-54.9-51.6000111.7L194 K509 E511 Y527D192-L194 VanDerWaalsContact C-N 3.31Å; D192-L194 PolarHBondContact O-N 3.23Å; D192-K509 HydrophobicContact CB-CD 4.23Å; D192-E511 VanDerWaalsContact C-OE2 3.32Å; D192-E511 VanDerWaalsContact CA-OE2 3.22Å; D192-E511 WeakPolarHBondContact CA-OE2 3.23Å; D192-E511 PolarHBondContact N-OE1 3.39Å; D192-E511 PolarHBondContact N-OE2 3.46Å; D192-Y527 VanDerWaalsContact O-CE1 3.27Å; D192-Y527 WeakPolarHBondContact O-CE1 3.43Å
193G93.4Very high94.2Very high0 Ų043.4 Ų43.40%024%0.24CC..THydrogen-bonded Turntrans75.82.8-173.600000117K191 E511 N531K191-G193 PolarHBondContact O-N 2.85Å; K191-G193 VanDerWaalsContact O-N 3.13Å; G193-E511 PolarHBondContact N-OE1 3.23Å; G193-E511 PolarHBondContact N-OE2 3.01Å; G193-E511 VanDerWaalsContact N-OE2 3.08Å; G193-N531 PolarHBondContact O-ND2 3.03Å
194L95.4Very high94Very high19 Ų1939.8 Ų39.810%0.09922%0.221CC..EExtended strand (participates in β ladder)trans-111.2137.2-178.3-60.7-178.9000111.3M190 K191 D192 Y196 Y527 A530M190-L194 CarbonylContact C-O 3.55Å; M190-L194 WeakPolarHBondContact CA-O 3.34Å; K191-L194 PolarHBondContact N-O 3.29Å; K191-L194 PolarHBondContact O-N 3.36Å; K191-L194 VanDerWaalsContact O-O 3.13Å; D192-L194 VanDerWaalsContact C-N 3.31Å; D192-L194 PolarHBondContact O-N 3.23Å; L194-Y196 HydrophobicContact CB-CE2 3.97Å; L194-Y196 WeakPolarHBondContact O-CD2 3.23Å; L194-Y196 PolarHBondContact O-N 3.23Å; L194-Y527 HydrophobicContact CD2-CD1 3.96Å; L194-Y527 HydrophobicContact CD2-CE1 4.35Å; L194-A530 HydrophobicContact CD2-CB 3.45Å; L194-A530 VanDerWaalsContact CD2-CB 3.45Å
195M96.1Very high94Very high4 Ų441.3 Ų41.32%0.0223%0.229CC..EExtended strand (participates in β ladder)trans-77.8114.5174.2-75.3-57.5-49.100110.9A188 M190 F463 L464 F467 N531A188-M195 HydrophobicContact CB-CE 3.53Å; M190-M195 HydrophobicContact CB-SD 3.8Å; M190-M195 HydrophobicContact CE-CG 3.78Å; M190-M195 HydrophobicContact CE-SD 3.72Å; M195-F463 HydrophobicContact CG-CB 3.89Å; M195-L464 HydrophobicContact CE-CD1 3.65Å; M195-L464 HydrophobicContact SD-CB 4.31Å; M195-L464 HydrophobicContact SD-CD1 4.4Å; M195-F467 HydrophobicContact CB-CD1 4.34Å; M195-F467 HydrophobicContact CB-CD2 3.84Å; M195-F467 HydrophobicContact CB-CE1 4Å; M195-F467 HydrophobicContact CB-CE2 3.44Å; M195-F467 VanDerWaalsContact CB-CE2 3.44Å; M195-F467 HydrophobicContact CB-CG 4.26Å; M195-F467 HydrophobicContact CB-CZ 3.52Å; M195-F467 HydrophobicContact CE-CB 4.14Å; M195-F467 HydrophobicContact CE-CD2 4.36Å; M195-F467 HydrophobicContact CE-CG 4.14Å; M195-F467 HydrophobicContact CG-CD2 3.66Å; M195-F467 HydrophobicContact CG-CE2 3.6Å; M195-F467 HydrophobicContact CG-CG 4.31Å; M195-F467 HydrophobicContact CG-CZ 4.22Å; M195-N531 WeakPolarHBondContact CB-OD1 3.49Å; M195-N531 VanDerWaalsContact CG-OD1 3.3Å; M195-N531 WeakPolarHBondContact CG-OD1 3.46Å; M195-N531 PolarHBondContact N-OD1 3.31Å
196Y95.8Very high94Very high50 Ų5045.8 Ų45.820%0.19624%0.236CC..EExtended strand (participates in β ladder)trans-99.5139.1171.2-69.2-84.5000110.4A188 R189 K191 L194 Y198 P209A188-Y196 WeakPolarHBondContact CA-O 3.12Å; R189-Y196 PolarHBondContact N-O 3.29Å; R189-Y196 PolarHBondContact O-N 3.06Å; K191-Y196 HydrophobicContact CB-CD2 3.97Å; K191-Y196 HydrophobicContact CB-CE2 4.04Å; L194-Y196 HydrophobicContact CB-CE2 3.97Å; L194-Y196 WeakPolarHBondContact O-CD2 3.23Å; L194-Y196 PolarHBondContact O-N 3.23Å; Y196-Y198 WeakPolarHBondContact CB-OH 3.4Å; Y196-Y198 WeakPolarHBondContact O-CE2 3.17Å; Y196-P209 HydrophobicContact CD1-CB 3.85Å; Y196-P209 HydrophobicContact CD1-CG 4.12Å; Y196-P209 HydrophobicContact CG-CB 4.44Å
197V96.1Very high93.7Very high3 Ų349 Ų492%0.01825%0.253CS..EExtended strand (participates in β ladder)trans-108.1135.8176.4-176.40000108.7Y186 V187 P209 K210 L212 F467 I471 L538Y186-V197 HydrophobicContact CD2-CG1 3.81Å; Y186-V197 HydrophobicContact CG-CG1 4.3Å; V187-V197 CarbonylContact O-C 3.55Å; V187-V197 WeakPolarHBondContact O-CA 3.31Å; V197-P209 WeakPolarHBondContact O-CA 3.33Å; V197-K210 PolarHBondContact O-N 3.16Å; V197-L212 HydrophobicContact CB-CD1 3.97Å; V197-L212 HydrophobicContact CG2-CD1 3.96Å; V197-F467 HydrophobicContact CG2-CD1 3.83Å; V197-F467 HydrophobicContact CG2-CE1 3.81Å; V197-I471 HydrophobicContact CG1-CD1 4.22Å; V197-L538 HydrophobicContact CG2-CD2 4.27Å
198Y96.2Very high93.5Very high9 Ų953 Ų534%0.03527%0.269CS..EExtended strand (participates in β ladder)trans-125.6147.4-175.9-57.1-92.9000109.2Y186 V187 R189 Y196 D200 A204 Q208 P209Y186-Y198 CarbonylContact C-O 3.11Å; Y186-Y198 VanDerWaalsContact CA-O 3.22Å; Y186-Y198 WeakPolarHBondContact CA-O 3.37Å; Y186-Y198 VanDerWaalsContact CB-O 3.26Å; Y186-Y198 WeakPolarHBondContact CB-O 3.44Å; V187-Y198 PolarHBondContact N-O 3.05Å; V187-Y198 PolarHBondContact O-N 3.35Å; R189-Y198 HydrophobicContact CB-CE2 4.07Å; R189-Y198 HydrophobicContact CG-CE2 4.44Å; Y196-Y198 WeakPolarHBondContact CB-OH 3.4Å; Y196-Y198 WeakPolarHBondContact O-CE2 3.17Å; Y198-D200 PolarHBondContact O-N 3.15Å; Y198-A204 VanDerWaalsContact CD1-CA 3.4Å; Y198-A204 HydrophobicContact CD1-CB 4.01Å; Y198-A204 HydrophobicContact CD2-CB 3.81Å; Y198-A204 HydrophobicContact CE2-CB 4.36Å; Y198-A204 HydrophobicContact CG-CB 3.62Å; Y198-Q208 WeakPolarHBondContact CD1-O 3.3Å; Y198-P209 VanDerWaalsContact CD1-CA 3.47Å; Y198-P209 HydrophobicContact CD1-CB 4.16Å; Y198-P209 HydrophobicContact CE1-CB 3.81Å; Y198-P209 HydrophobicContact CE1-CG 4.45Å
199N93.3Very high93.4Very high81 Ų8155.3 Ų55.343%0.43328%0.283SS..SBendtrans-64.6-30.4-177.9-66.2-26000113Y186 K210Y186-N199 WeakPolarHBondContact CD1-O 3.49Å; N199-K210 WeakPolarHBondContact OD1-CD 3.5Å
200D93.5Very high93.2Very high73 Ų7353.3 Ų53.339%0.3928%0.277SS..SBendtrans-159.3177179.663.670.5000110.3Y198 A202 A203 A204Y198-D200 PolarHBondContact O-N 3.15Å; D200-A202 VanDerWaalsContact OD1-CA 3.3Å; D200-A202 WeakPolarHBondContact OD1-CA 3.31Å; D200-A202 WeakPolarHBondContact OD1-CB 3.19Å; D200-A202 PolarHBondContact OD1-N 3.16Å; D200-A203 PolarHBondContact O-N 3.37Å; D200-A203 PolarHBondContact OD1-N 3.27Å; D200-A204 PolarHBondContact O-N 3.33Å; D200-A204 VanDerWaalsContact O-N 3.1Å
201A91.5Very high93Very high51 Ų5159.4 Ų59.442%0.42131%0.31SS..Hα-helixtrans-66.2-35.6-18000000114V187 A204 D205V187-A201 HydrophobicContact CG2-CB 4.17Å; A201-A204 WeakPolarHBondContact O-CB 3.44Å; A201-A204 PolarHBondContact O-N 3.31Å; A201-D205 VanDerWaalsContact O-CG 3.29Å; A201-D205 PolarHBondContact O-N 2.88Å
202A92.4Very high92.9Very high48 Ų4855.2 Ų55.240%0.39729%0.293SS..Hα-helixtrans-73.1-31.4179.300000111.9D200 A204 K206D200-A202 VanDerWaalsContact OD1-CA 3.3Å; D200-A202 WeakPolarHBondContact OD1-CA 3.31Å; D200-A202 WeakPolarHBondContact OD1-CB 3.19Å; D200-A202 PolarHBondContact OD1-N 3.16Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A202-K206 WeakPolarHBondContact O-CB 3.37Å; A202-K206 WeakPolarHBondContact O-CD 3.41Å; A202-K206 WeakPolarHBondContact O-CG 3.44Å; A202-K206 PolarHBondContact O-N 3.08Å
203A92Very high92.9Very high10 Ų1055.6 Ų55.68%0.08330%0.298CS..Hα-helixtrans-65.5-37.7167.300000111.6D200 K206 H207 Q208D200-A203 PolarHBondContact O-N 3.37Å; D200-A203 PolarHBondContact OD1-N 3.27Å; A203-K206 CarbonylContact O-C 3.59Å; A203-K206 PolarHBondContact O-N 3.23Å; A203-H207 PolarHBondContact O-N 2.96Å; A203-H207 VanDerWaalsContact O-N 3.11Å; A203-Q208 PolarHBondContact O-N 2.88Å
204A90.9Very high92.6Very high1 Ų159.9 Ų59.91%0.00832%0.318CS..Hα-helixtrans-65.1-42.4174.400000112.6V187 R189 Y198 D200 A201 A202 H207V187-A204 HydrophobicContact CB-CB 4.41Å; V187-A204 HydrophobicContact CG1-CB 4.13Å; R189-A204 VanDerWaalsContact NH1-C 3.28Å; R189-A204 PolarHBondContact NH1-O 3.35Å; Y198-A204 VanDerWaalsContact CD1-CA 3.4Å; Y198-A204 HydrophobicContact CD1-CB 4.01Å; Y198-A204 HydrophobicContact CD2-CB 3.81Å; Y198-A204 HydrophobicContact CE2-CB 4.36Å; Y198-A204 HydrophobicContact CG-CB 3.62Å; D200-A204 PolarHBondContact O-N 3.33Å; D200-A204 VanDerWaalsContact O-N 3.1Å; A201-A204 WeakPolarHBondContact O-CB 3.44Å; A201-A204 PolarHBondContact O-N 3.31Å; A202-A204 VanDerWaalsContact C-N 3.34Å; A204-H207 PolarHBondContact O-N 3.29Å; A204-H207 VanDerWaalsContact O-N 3.13Å
205D91.3Very high92.3Very high96 Ų9659.1 Ų59.151%0.51331%0.314SS..Hα-helixtrans-69.5-35.8176.9-63.3-22.9000112.1R189 A201 H207R189-D205 IonicContact CZ-OD1 2.9Å; R189-D205 IonicContact NH1-OD1 2.74Å; R189-D205 PolarHBondContact NH1-OD1 3.1Å; R189-D205 IonicContact NH2-OD1 2.91Å; R189-D205 PolarHBondContact NH2-OD1 3.46Å; A201-D205 VanDerWaalsContact O-CG 3.29Å; A201-D205 PolarHBondContact O-N 2.88Å; D205-H207 PolarHBondContact O-N 2.96Å; D205-H207 PolarHBondContact O-ND1 2.87Å
206K92Very high92.1Very high141 Ų14162 Ų6261%0.61333%0.33SS*.THydrogen-bonded Turntrans-73.3-2.3170.9-70.1166.7-175.7166.80114A202 A203 Q208A202-K206 WeakPolarHBondContact O-CB 3.37Å; A202-K206 WeakPolarHBondContact O-CD 3.41Å; A202-K206 WeakPolarHBondContact O-CG 3.44Å; A202-K206 PolarHBondContact O-N 3.08Å; A203-K206 CarbonylContact O-C 3.59Å; A203-K206 PolarHBondContact O-N 3.23Å; K206-Q208 VanDerWaalsContact C-N 3.31Å; K206-Q208 HydrophobicContact CB-CG 4.12Å; K206-Q208 PolarHBondContact O-N 3.28Å
207H89.3Confident91.8Very high126 Ų12661.4 Ų61.458%0.58333%0.327SS*.THydrogen-bonded Turntrans55.642.1-177.2-63.467.9000113.3A203 A204 D205 P209A203-H207 PolarHBondContact O-N 2.96Å; A203-H207 VanDerWaalsContact O-N 3.11Å; A204-H207 PolarHBondContact O-N 3.29Å; A204-H207 VanDerWaalsContact O-N 3.13Å; D205-H207 PolarHBondContact O-N 2.96Å; D205-H207 PolarHBondContact O-ND1 2.87Å; H207-P209 VanDerWaalsContact C-CD 3.5Å; H207-P209 WeakPolarHBondContact O-CD 3.43Å
208Q92.2Very high91.6Very high121 Ų12163.9 Ų63.957%0.56534%0.344SS*.  trans-109.179.1179.5-69.6176.8-9.600110.4Y198 A203 K206Y198-Q208 WeakPolarHBondContact CD1-O 3.3Å; A203-Q208 PolarHBondContact O-N 2.88Å; K206-Q208 VanDerWaalsContact C-N 3.31Å; K206-Q208 HydrophobicContact CB-CG 4.12Å; K206-Q208 PolarHBondContact O-N 3.28Å
209P92.6Very high91.5Very high60 Ų6066 Ų6639%0.3936%0.358SS..  trans-66.8155.8-18030.6-36.4000111.5Y196 V197 Y198 H207Y196-P209 HydrophobicContact CD1-CB 3.85Å; Y196-P209 HydrophobicContact CD1-CG 4.12Å; Y196-P209 HydrophobicContact CG-CB 4.44Å; V197-P209 WeakPolarHBondContact O-CA 3.33Å; Y198-P209 VanDerWaalsContact CD1-CA 3.47Å; Y198-P209 HydrophobicContact CD1-CB 4.16Å; Y198-P209 HydrophobicContact CE1-CB 3.81Å; Y198-P209 HydrophobicContact CE1-CG 4.45Å; H207-P209 VanDerWaalsContact C-CD 3.5Å; H207-P209 WeakPolarHBondContact O-CD 3.43Å
210K92.1Very high91.5Very high47 Ų4762.1 Ų62.120%0.20434%0.338CS..  trans-69.6141.8170.6-153.1-17881.71620109.3Y186 V197 N199 L212Y186-K210 HydrophobicContact CE2-CD 4.34Å; V197-K210 PolarHBondContact O-N 3.16Å; N199-K210 WeakPolarHBondContact OD1-CD 3.5Å; K210-L212 PolarHBondContact O-N 2.88Å
211D90.6Very high91.5Very high156 Ų15658.6 Ų58.683%0.83432%0.319SS*.  trans-67.2100.1175.4-167.19.5000109.8
212L91.6Very high91.6Very high11 Ų1159.3 Ų59.36%0.05832%0.315CS..  trans-127.5128.5175.9-69.3-177.3000108V197 K210 H214 V534 Q537V197-L212 HydrophobicContact CB-CD1 3.97Å; V197-L212 HydrophobicContact CG2-CD1 3.96Å; K210-L212 PolarHBondContact O-N 2.88Å; L212-H214 PolarHBondContact O-N 3.18Å; L212-H214 VanDerWaalsContact O-N 3.16Å; L212-V534 HydrophobicContact CB-CG1 4.39Å; L212-V534 HydrophobicContact CD1-CG1 4.09Å; L212-Q537 HydrophobicContact CD2-CB 4.44Å
213P91.8Very high91.8Very high61 Ų6157.5 Ų57.540%0.39630%0.299SS..  trans-56.1120.7177-27.635.4000112.3L133 Q537L133-P213 HydrophobicContact CD1-CB 3.54Å; P213-Q537 HydrophobicContact CB-CG 4.24Å; P213-Q537 HydrophobicContact CG-CG 4.44Å
214H87.8Confident91.8Very high89 Ų8957.2 Ų57.241%0.41230%0.296SS..  trans-125.8156.8173.171.681.1000109.5L212 V534L212-H214 PolarHBondContact O-N 3.18Å; L212-H214 VanDerWaalsContact O-N 3.16Å; H214-V534 HydrophobicContact CB-CG2 3.49Å; H214-V534 VanDerWaalsContact CB-CG2 3.49Å
215P90.3Very high91.8Very high3 Ų357.3 Ų57.32%0.01930%0.296CS..  trans-67.6138.8172.728.2-33.5000110.1Y130 L133 Y526 Y529 A530Y130-P215 HydrophobicContact CE1-CB 4.19Å; L133-P215 HydrophobicContact CD2-CB 4.06Å; P215-Y526 HydrophobicContact CB-CE2 4.41Å; P215-Y526 HydrophobicContact CG-CE2 4.31Å; P215-Y529 HydrophobicContact CB-CE1 4.22Å; P215-Y529 HydrophobicContact CG-CD1 4.39Å; P215-Y529 HydrophobicContact CG-CE1 4.09Å; P215-A530 HydrophobicContact CG-CB 3.41Å; P215-A530 VanDerWaalsContact CG-CB 3.41Å
216D90.5Very high91.9Very high66 Ų6653.6 Ų53.635%0.35328%0.276SS..  trans-77.8136.6168.5172.150.3000110.6S218 T219 F220D216-S218 PolarHBondContact OD1-OG 2.63Å; D216-S218 WeakPolarHBondContact OD2-CB 3.4Å; D216-S218 PolarHBondContact OD2-N 2.78Å; D216-S218 PolarHBondContact OD2-OG 3.36Å; D216-T219 WeakPolarHBondContact OD2-CB 3.47Å; D216-T219 PolarHBondContact OD2-N 2.95Å; D216-T219 PolarHBondContact OD2-OG1 3.28Å; D216-F220 WeakPolarHBondContact O-CB 3.14Å; D216-F220 PolarHBondContact O-N 3.5Å
217Y89.9Confident91.9Very high37 Ų3747.1 Ų47.115%0.14525%0.248CC..Hα-helixtrans-69.3-42.9-175.8-178.2-111.5000112.2I221 F503 S504 Y526Y217-I221 WeakPolarHBondContact O-CG1 3.27Å; Y217-I221 PolarHBondContact O-N 2.9Å; Y217-F503 HydrophobicContact CD2-CZ 4.49Å; Y217-F503 HydrophobicContact CE2-CE1 4.42Å; Y217-F503 AromaticContact CE2-CE2 3.99Å; Y217-F503 HydrophobicContact CE2-CE2 3.99Å; Y217-F503 AromaticContact CE2-CZ 3.62Å; Y217-F503 HydrophobicContact CE2-CZ 3.62Å; Y217-S504 PolarHBondContact OH-O 2.88Å; Y217-Y526 HydrophobicContact CD2-CD1 4.49Å; Y217-Y526 AromaticContact CD2-CE1 3.79Å; Y217-Y526 HydrophobicContact CD2-CE1 3.79Å; Y217-Y526 HydrophobicContact CD2-CE2 4.49Å; Y217-Y526 AromaticContact CD2-CZ 3.8Å; Y217-Y526 HydrophobicContact CE2-CE1 4.32Å
218S91.6Very high92Very high54 Ų5441.1 Ų41.138%0.37822%0.22SC..Hα-helixtrans-61.8-55.2175.39.80000110.7D216 F220 I221 D222D216-S218 PolarHBondContact OD1-OG 2.63Å; D216-S218 WeakPolarHBondContact OD2-CB 3.4Å; D216-S218 PolarHBondContact OD2-N 2.78Å; D216-S218 PolarHBondContact OD2-OG 3.36Å; S218-F220 VanDerWaalsContact C-N 3.25Å; S218-F220 PolarHBondContact O-N 2.85Å; S218-I221 PolarHBondContact O-N 3.39Å; S218-D222 VanDerWaalsContact O-CG 3.32Å; S218-D222 PolarHBondContact O-N 3.28Å
219T93.8Very high91.9Very high53 Ų5335.7 Ų35.733%0.32520%0.196SC..Hα-helixtrans-54.5-40-179.6-57.50000112.1D216 D222 D223D216-T219 WeakPolarHBondContact OD2-CB 3.47Å; D216-T219 PolarHBondContact OD2-N 2.95Å; D216-T219 PolarHBondContact OD2-OG1 3.28Å; T219-D222 PolarHBondContact O-N 3.5Å; T219-D223 VanDerWaalsContact O-CB 3.32Å; T219-D223 WeakPolarHBondContact O-CB 3.31Å; T219-D223 PolarHBondContact O-N 3.2Å
220F94.7Very high91.8Very high0 Ų033.1 Ų33.10%018%0.179CC..Hα-helixtrans-63.8-45.1175.7-179.6-90.3000112.8Y130 D216 S218 D222 M224 F503 T522 Y526 M567 T568Y130-F220 HydrophobicContact CE1-CD2 4.12Å; Y130-F220 AromaticContact CZ-CD2 3.99Å; Y130-F220 WeakPolarHBondContact OH-CA 3.3Å; D216-F220 WeakPolarHBondContact O-CB 3.14Å; D216-F220 PolarHBondContact O-N 3.5Å; S218-F220 VanDerWaalsContact C-N 3.25Å; S218-F220 PolarHBondContact O-N 2.85Å; F220-D222 VanDerWaalsContact C-N 3.33Å; F220-M224 VanDerWaalsContact O-CB 3.3Å; F220-M224 WeakPolarHBondContact O-CB 3.08Å; F220-M224 PolarHBondContact O-N 2.77Å; F220-F503 HydrophobicContact CD1-CD1 4.49Å; F220-F503 HydrophobicContact CD1-CE1 4.01Å; F220-F503 HydrophobicContact CE1-CD1 4.03Å; F220-F503 AromaticContact CE1-CE1 3.79Å; F220-F503 HydrophobicContact CE1-CE1 3.79Å; F220-T522 HydrophobicContact CE1-CG2 4.16Å; F220-T522 HydrophobicContact CZ-CG2 4.44Å; F220-Y526 HydrophobicContact CB-CD2 4.03Å; F220-Y526 HydrophobicContact CB-CE2 3.82Å; F220-Y526 AromaticContact CD1-CD2 3.46Å; F220-Y526 HydrophobicContact CD1-CD2 3.46Å; F220-Y526 VanDerWaalsContact CD1-CD2 3.46Å; F220-Y526 HydrophobicContact CD1-CE2 4.09Å; F220-Y526 HydrophobicContact CD1-CG 4.19Å; F220-Y526 AromaticContact CD2-CD2 3.73Å; F220-Y526 HydrophobicContact CD2-CD2 3.73Å; F220-Y526 HydrophobicContact CD2-CE2 4.22Å; F220-Y526 AromaticContact CE1-CD2 3.79Å; F220-Y526 HydrophobicContact CE1-CD2 3.79Å; F220-Y526 HydrophobicContact CE1-CG 4.22Å; F220-Y526 HydrophobicContact CE2-CD2 4.03Å; F220-Y526 AromaticContact CG-CD2 3.44Å; F220-Y526 HydrophobicContact CG-CD2 3.44Å; F220-Y526 VanDerWaalsContact CG-CD2 3.44Å; F220-Y526 AromaticContact CG-CE2 3.77Å; F220-Y526 HydrophobicContact CG-CE2 3.77Å; F220-Y526 HydrophobicContact CZ-CD2 4.06Å; F220-M567 HydrophobicContact CD2-CE 3.47Å; F220-M567 VanDerWaalsContact CD2-CE 3.47Å; F220-M567 HydrophobicContact CE2-CE 3.52Å; F220-M567 HydrophobicContact CE2-SD 4.2Å; F220-M567 HydrophobicContact CG-CE 4.14Å; F220-M567 HydrophobicContact CZ-CE 4.21Å; F220-M567 HydrophobicContact CZ-SD 4.46Å; F220-T568 HydrophobicContact CE2-CG2 3.75Å; F220-T568 HydrophobicContact CZ-CG2 4.42Å
221I93.1Very high91.6Very high0 Ų031.7 Ų31.70%017%0.173CC..Hα-helixtrans-65.3-38.9176.6-63.7-59.8000110.9Y217 S218 M224 N225 F503 T505Y217-I221 WeakPolarHBondContact O-CG1 3.27Å; Y217-I221 PolarHBondContact O-N 2.9Å; S218-I221 PolarHBondContact O-N 3.39Å; I221-M224 HydrophobicContact CD1-CE 4.21Å; I221-M224 PolarHBondContact O-N 3Å; I221-N225 WeakPolarHBondContact CG2-ND2 3.33Å; I221-N225 WeakPolarHBondContact O-CB 3.5Å; I221-N225 PolarHBondContact O-N 2.94Å; I221-N225 PolarHBondContact O-ND2 3.13Å; I221-N225 VanDerWaalsContact O-ND2 3.13Å; I221-F503 HydrophobicContact CD1-CD1 3.52Å; I221-F503 HydrophobicContact CD1-CE1 3.78Å; I221-F503 HydrophobicContact CD1-CG 4.08Å; I221-T505 HydrophobicContact CB-CG2 4.22Å; I221-T505 HydrophobicContact CG1-CG2 4.26Å; I221-T505 HydrophobicContact CG2-CG2 4.1Å
222D93.8Very high91.4Very high65 Ų6525.7 Ų25.735%0.34815%0.145SC..Hα-helixtrans-73.9-38.2-178.2-61.8-30.6000112.7S218 T219 F220 F226S218-D222 VanDerWaalsContact O-CG 3.32Å; S218-D222 PolarHBondContact O-N 3.28Å; T219-D222 PolarHBondContact O-N 3.5Å; F220-D222 VanDerWaalsContact C-N 3.33Å; D222-F226 WeakPolarHBondContact O-CB 3.28Å; D222-F226 PolarHBondContact O-N 3.28Å
223D95.3Very high91.3Very high11 Ų1128.1 Ų28.16%0.05916%0.156CC..Hα-helixtrans-60.5-45.5168.7-72.4-33.1000111.2I126 K129 Y130 T219 F226 L227 M567I126-D223 HydrophobicContact CD1-CB 3.99Å; I126-D223 HydrophobicContact CG1-CB 4.3Å; I126-D223 WeakPolarHBondContact CG1-OD1 3.37Å; I126-D223 HydrophobicContact CG2-CB 4.04Å; K129-D223 VanDerWaalsContact CE-OD2 3.3Å; K129-D223 WeakPolarHBondContact CE-OD2 3.22Å; K129-D223 VanDerWaalsContact NZ-CG 3.27Å; K129-D223 IonicContact NZ-OD1 2.81Å; K129-D223 PolarHBondContact NZ-OD1 2.67Å; K129-D223 VanDerWaalsContact NZ-OD1 3.08Å; K129-D223 IonicContact NZ-OD2 2.74Å; K129-D223 PolarHBondContact NZ-OD2 3.26Å; Y130-D223 WeakPolarHBondContact CE2-OD2 3.16Å; Y130-D223 PolarHBondContact OH-OD2 3.34Å; T219-D223 VanDerWaalsContact O-CB 3.32Å; T219-D223 WeakPolarHBondContact O-CB 3.31Å; T219-D223 PolarHBondContact O-N 3.2Å; D223-F226 WeakPolarHBondContact O-CB 3.28Å; D223-F226 PolarHBondContact O-N 3.21Å; D223-L227 WeakPolarHBondContact O-CG 3.41Å; D223-L227 PolarHBondContact O-N 3.17Å; D223-M567 HydrophobicContact CB-CE 3.56Å
224M91.9Very high91.1Very high4 Ų427.1 Ų27.12%0.0216%0.157CC..Hα-helixtrans-65.9-43.6179.4-175.2-170.766.200111.5F220 I221 F226 L227 I228 F503 T522 M567F220-M224 VanDerWaalsContact O-CB 3.3Å; F220-M224 WeakPolarHBondContact O-CB 3.08Å; F220-M224 PolarHBondContact O-N 2.77Å; I221-M224 HydrophobicContact CD1-CE 4.21Å; I221-M224 PolarHBondContact O-N 3Å; M224-F226 VanDerWaalsContact C-N 3.3Å; M224-F226 PolarHBondContact O-N 3.26Å; M224-L227 PolarHBondContact O-N 3.26Å; M224-L227 VanDerWaalsContact O-N 3.09Å; M224-I228 HydrophobicContact CE-CD1 4.2Å; M224-I228 HydrophobicContact CG-CD1 4.03Å; M224-I228 HydrophobicContact CG-CG1 4.44Å; M224-I228 WeakPolarHBondContact O-CG1 3.29Å; M224-I228 PolarHBondContact O-N 3.14Å; M224-I228 HydrophobicContact SD-CD1 4.45Å; M224-F503 WeakPolarHBondContact CE-O 3.32Å; M224-T522 HydrophobicContact SD-CG2 3.45Å; M224-T522 WeakPolarHBondContact SD-CG2 3.43Å; M224-M567 HydrophobicContact CB-CE 4.38Å; M224-M567 HydrophobicContact CB-SD 3.87Å; M224-M567 HydrophobicContact CG-SD 4.38Å
225N91.5Very high91.2Very high2 Ų225 Ų251%0.01115%0.151CC..Hα-helixtrans-60.3-40.7175.3-74.2-28.5000111.4A17 I221 I228 A229A17-N225 HydrophobicContact CB-CB 4.18Å; I221-N225 WeakPolarHBondContact CG2-ND2 3.33Å; I221-N225 WeakPolarHBondContact O-CB 3.5Å; I221-N225 PolarHBondContact O-N 2.94Å; I221-N225 PolarHBondContact O-ND2 3.13Å; I221-N225 VanDerWaalsContact O-ND2 3.13Å; N225-I228 PolarHBondContact O-N 3.04Å; N225-A229 WeakPolarHBondContact O-CB 3.33Å; N225-A229 PolarHBondContact O-N 3.49Å
226F94.1Very high91.2Very high19 Ų1925.1 Ų25.18%0.08315%0.152CC..Hα-helixtrans-60-43.9171.5167.1-96.6000112M13 R122 I126 D222 D223 M224 A229 L230M13-F226 HydrophobicContact CE-CB 3.99Å; M13-F226 HydrophobicContact SD-CB 3.78Å; M13-F226 HydrophobicContact SD-CD2 3.85Å; M13-F226 HydrophobicContact SD-CG 4.33Å; R122-F226 HydrophobicContact CB-CE1 3.75Å; R122-F226 HydrophobicContact CB-CZ 3.67Å; R122-F226 HydrophobicContact CG-CD1 3.97Å; R122-F226 HydrophobicContact CG-CE1 3.52Å; R122-F226 HydrophobicContact CG-CE2 4.36Å; R122-F226 HydrophobicContact CG-CZ 3.75Å; I126-F226 HydrophobicContact CD1-CD1 3.58Å; I126-F226 HydrophobicContact CD1-CE1 4.1Å; D222-F226 WeakPolarHBondContact O-CB 3.28Å; D222-F226 PolarHBondContact O-N 3.28Å; D223-F226 WeakPolarHBondContact O-CB 3.28Å; D223-F226 PolarHBondContact O-N 3.21Å; M224-F226 VanDerWaalsContact C-N 3.3Å; M224-F226 PolarHBondContact O-N 3.26Å; F226-A229 PolarHBondContact O-N 3.37Å; F226-L230 HydrophobicContact CE1-CD2 3.99Å; F226-L230 HydrophobicContact CZ-CB 4.34Å; F226-L230 HydrophobicContact CZ-CD2 4Å; F226-L230 VanDerWaalsContact O-CB 3.28Å; F226-L230 WeakPolarHBondContact O-CB 3.44Å; F226-L230 PolarHBondContact O-N 2.92Å
227L92.7Very high91Very high4 Ų425 Ų252%0.02115%0.148CC..Hα-helixtrans-66.7-40.3177.7-70.5176000112.9A123 I126 D223 M224 A229 L230 I231 L563 F566 M567A123-L227 HydrophobicContact CB-CD2 3.54Å; I126-L227 HydrophobicContact CG2-CD1 4.26Å; D223-L227 WeakPolarHBondContact O-CG 3.41Å; D223-L227 PolarHBondContact O-N 3.17Å; M224-L227 PolarHBondContact O-N 3.26Å; M224-L227 VanDerWaalsContact O-N 3.09Å; L227-A229 VanDerWaalsContact C-N 3.35Å; L227-L230 HydrophobicContact CD2-CD2 4.37Å; L227-L230 PolarHBondContact O-N 3.07Å; L227-I231 PolarHBondContact O-N 3.32Å; L227-L563 HydrophobicContact CB-CD1 4.35Å; L227-L563 HydrophobicContact CB-CD2 4.27Å; L227-F566 HydrophobicContact CD1-CD1 3.94Å; L227-F566 HydrophobicContact CD1-CE1 4.26Å; L227-F566 HydrophobicContact CD2-CE1 4.25Å; L227-M567 HydrophobicContact CD1-CG 3.49Å; L227-M567 VanDerWaalsContact CD1-CG 3.49Å; L227-M567 HydrophobicContact CD1-SD 3.79Å
228I89.9Confident91Very high1 Ų126.1 Ų26.11%0.00516%0.159CC..Hα-helixtrans-60.5-45.9173.6-65.4164.7000110A17 V20 M224 N225 L230 I231 A232 M502 T560 L563A17-I228 HydrophobicContact CB-CB 3.93Å; A17-I228 HydrophobicContact CB-CG2 3.75Å; V20-I228 HydrophobicContact CB-CG2 4Å; V20-I228 HydrophobicContact CG1-CG2 3.86Å; M224-I228 HydrophobicContact CE-CD1 4.2Å; M224-I228 HydrophobicContact CG-CD1 4.03Å; M224-I228 HydrophobicContact CG-CG1 4.44Å; M224-I228 WeakPolarHBondContact O-CG1 3.29Å; M224-I228 PolarHBondContact O-N 3.14Å; M224-I228 HydrophobicContact SD-CD1 4.45Å; N225-I228 PolarHBondContact O-N 3.04Å; I228-L230 PolarHBondContact O-N 3.25Å; I228-I231 VanDerWaalsContact O-CG1 3.26Å; I228-I231 WeakPolarHBondContact O-CG1 3.43Å; I228-A232 PolarHBondContact O-N 2.82Å; I228-M502 HydrophobicContact CD1-CE 4.22Å; I228-T560 HydrophobicContact CD1-CG2 4.36Å; I228-T560 HydrophobicContact CG1-CG2 4.21Å; I228-L563 HydrophobicContact CB-CD1 4.24Å; I228-L563 HydrophobicContact CG1-CD1 3.46Å; I228-L563 VanDerWaalsContact CG1-CD1 3.46Å
229A90.6Very high90.8Very high6 Ų625.4 Ų25.45%0.0515%0.148CC..Hα-helixtrans-63.6-40.3176.300000112.2M13 F16 N225 F226 L227 A232 Q233M13-A229 HydrophobicContact CG-CB 3.85Å; F16-A229 HydrophobicContact CD1-CB 3.85Å; F16-A229 HydrophobicContact CE1-CB 4.31Å; N225-A229 WeakPolarHBondContact O-CB 3.33Å; N225-A229 PolarHBondContact O-N 3.49Å; F226-A229 PolarHBondContact O-N 3.37Å; L227-A229 VanDerWaalsContact C-N 3.35Å; A229-A232 PolarHBondContact O-N 3.37Å; A229-Q233 WeakPolarHBondContact O-CG 3.5Å; A229-Q233 PolarHBondContact O-N 3.29Å
230L91Very high90.6Very high7 Ų723 Ų234%0.03713%0.133CC..Hα-helixtrans-64.8-45.4178.8179.464.1000112.2G119 A123 F226 L227 I228 A232 Q233 T236G119-L230 WeakPolarHBondContact O-CD2 3.15Å; A123-L230 HydrophobicContact CB-CD2 3.85Å; F226-L230 HydrophobicContact CE1-CD2 3.99Å; F226-L230 HydrophobicContact CZ-CB 4.34Å; F226-L230 HydrophobicContact CZ-CD2 4Å; F226-L230 VanDerWaalsContact O-CB 3.28Å; F226-L230 WeakPolarHBondContact O-CB 3.44Å; F226-L230 PolarHBondContact O-N 2.92Å; L227-L230 HydrophobicContact CD2-CD2 4.37Å; L227-L230 PolarHBondContact O-N 3.07Å; I228-L230 PolarHBondContact O-N 3.25Å; L230-A232 VanDerWaalsContact C-N 3.25Å; L230-A232 PolarHBondContact O-N 3.23Å; L230-Q233 WeakPolarHBondContact O-CB 3.28Å; L230-Q233 PolarHBondContact O-N 2.94Å; L230-T236 HydrophobicContact CD1-CG2 3.88Å; L230-T236 HydrophobicContact CG-CG2 4.38Å
231I87.8Confident90.2Very high17 Ų1725.7 Ų25.79%0.08715%0.146CC..Hα-helixtrans-65.5-30.8178.362.6162000112.1L227 I228 Q233 K237 I559 L563 T585L227-I231 PolarHBondContact O-N 3.32Å; I228-I231 VanDerWaalsContact O-CG1 3.26Å; I228-I231 WeakPolarHBondContact O-CG1 3.43Å; I231-Q233 VanDerWaalsContact C-N 3.26Å; I231-Q233 PolarHBondContact O-N 2.74Å; I231-K237 WeakPolarHBondContact O-CE 3.39Å; I231-K237 WeakPolarHBondContact O-CG 3.42Å; I231-I559 HydrophobicContact CD1-CG2 3.77Å; I231-L563 HydrophobicContact CD1-CD1 3.85Å; I231-L563 HydrophobicContact CD1-CD2 4.32Å; I231-L563 HydrophobicContact CD1-CG 4.34Å; I231-L563 HydrophobicContact CG1-CD1 4.32Å; I231-L563 HydrophobicContact CG2-CD2 3.87Å; I231-T585 HydrophobicContact CB-CG2 3.8Å; I231-T585 HydrophobicContact CG2-CG2 3.96Å; I231-T585 PolarHBondContact O-OG1 2.96Å
232A86.4Confident89.9Confident29 Ų2931 Ų3124%0.2417%0.166CC..THydrogen-bonded Turntrans-74.3-9.8177.900000114.5F16 V20 I228 A229 L230 G234F16-A232 HydrophobicContact CE1-CB 3.74Å; F16-A232 HydrophobicContact CZ-CB 3.88Å; V20-A232 HydrophobicContact CB-CB 4.43Å; V20-A232 HydrophobicContact CG1-CB 4.04Å; V20-A232 HydrophobicContact CG2-CB 3.5Å; V20-A232 VanDerWaalsContact CG2-CB 3.5Å; I228-A232 PolarHBondContact O-N 2.82Å; A229-A232 PolarHBondContact O-N 3.37Å; L230-A232 VanDerWaalsContact C-N 3.25Å; L230-A232 PolarHBondContact O-N 3.23Å; A232-G234 PolarHBondContact O-N 3.43Å
233Q88.1Confident89.6Confident63 Ų6333.2 Ų33.229%0.29417%0.169SC..  trans-73.3113.5-179.6-73.1166.89.600112.2A229 L230 I231 T236 K237A229-Q233 WeakPolarHBondContact O-CG 3.5Å; A229-Q233 PolarHBondContact O-N 3.29Å; L230-Q233 WeakPolarHBondContact O-CB 3.28Å; L230-Q233 PolarHBondContact O-N 2.94Å; I231-Q233 VanDerWaalsContact C-N 3.26Å; I231-Q233 PolarHBondContact O-N 2.74Å; Q233-T236 WeakPolarHBondContact O-CB 3.44Å; Q233-T236 PolarHBondContact O-N 3Å; Q233-T236 PolarHBondContact OE1-OG1 2.85Å; Q233-K237 WeakPolarHBondContact O-CG 3.49Å; Q233-K237 PolarHBondContact O-N 3.05Å
234G88.6Confident89.3Confident40 Ų4034.6 Ų34.641%0.41218%0.176SC..Hα-helixtrans-52.3-41.6176.700000115.8A232 T238A232-G234 PolarHBondContact O-N 3.43Å; G234-T238 WeakPolarHBondContact O-CB 3.34Å; G234-T238 PolarHBondContact O-N 2.82Å; G234-T238 PolarHBondContact O-OG1 2.83Å
235P90.2Very high89.1Confident45 Ų4540.4 Ų40.429%0.29220%0.202SC..Hα-helixtrans-67.1-45.4176.3-19.631.6000112.2D112 K237 T238 Y239D112-P235 HydrophobicContact CB-CB 3.74Å; D112-P235 HydrophobicContact CB-CG 4.48Å; D112-P235 VanDerWaalsContact OD1-CB 3.32Å; D112-P235 WeakPolarHBondContact OD1-CB 3.29Å; D112-P235 WeakPolarHBondContact OD1-CG 3.33Å; P235-K237 PolarHBondContact O-N 2.85Å; P235-T238 PolarHBondContact O-N 2.71Å; P235-T238 VanDerWaalsContact O-N 3.1Å; P235-Y239 WeakPolarHBondContact O-CB 3.42Å; P235-Y239 PolarHBondContact O-N 3.36Å
236T90.3Very high88.9Confident4 Ų443.8 Ų43.83%0.02522%0.216CC..Hα-helixtrans-55.5-51.6174.3-54.70000110.6S116 L230 Q233 T238 Y239 T240S116-T236 WeakPolarHBondContact OG-CA 3.45Å; L230-T236 HydrophobicContact CD1-CG2 3.88Å; L230-T236 HydrophobicContact CG-CG2 4.38Å; Q233-T236 WeakPolarHBondContact O-CB 3.44Å; Q233-T236 PolarHBondContact O-N 3Å; Q233-T236 PolarHBondContact OE1-OG1 2.85Å; T236-T238 VanDerWaalsContact C-N 3.31Å; T236-T238 PolarHBondContact O-N 3.12Å; T236-Y239 PolarHBondContact O-N 2.97Å; T236-T240 HydrophobicContact CG2-CG2 4.33Å; T236-T240 WeakPolarHBondContact O-CB 3.49Å; T236-T240 WeakPolarHBondContact O-CG2 3.38Å; T236-T240 PolarHBondContact O-N 3.12Å; T236-T240 PolarHBondContact O-OG1 3.31Å
237K86.8Confident88.7Confident65 Ų6546.9 Ų46.928%0.28323%0.233SC..Hα-helixtrans-50.9-47173.3-72.6178.6170.3-129.10112.5I231 Q233 P235 T240 H241 E584 T585I231-K237 WeakPolarHBondContact O-CE 3.39Å; I231-K237 WeakPolarHBondContact O-CG 3.42Å; Q233-K237 WeakPolarHBondContact O-CG 3.49Å; Q233-K237 PolarHBondContact O-N 3.05Å; P235-K237 PolarHBondContact O-N 2.85Å; K237-T240 WeakPolarHBondContact CA-OG1 3.45Å; K237-T240 PolarHBondContact O-OG1 3.46Å; K237-H241 VanDerWaalsContact O-CB 3.24Å; K237-H241 WeakPolarHBondContact O-CB 3.47Å; K237-H241 PolarHBondContact O-N 2.7Å; K237-E584 WeakPolarHBondContact CD-O 3.3Å; K237-E584 WeakPolarHBondContact CE-O 3.44Å; K237-E584 VanDerWaalsContact CG-O 3.29Å; K237-E584 WeakPolarHBondContact CG-O 3.46Å; K237-E584 PolarHBondContact NZ-O 3.22Å; K237-T585 VanDerWaalsContact CE-OG1 3.27Å; K237-T585 WeakPolarHBondContact CE-OG1 3.44Å; K237-T585 HydrophobicContact CG-CG2 3.93Å; K237-T585 PolarHBondContact NZ-OG1 3.42Å
238T88.3Confident88.5Confident60 Ų6052.1 Ų52.137%0.36826%0.259SS..Hα-helixtrans-67.6-47-176.6-57.90000111.5V108 G234 P235 T236 R242V108-T238 HydrophobicContact CG1-CG2 3.75Å; G234-T238 WeakPolarHBondContact O-CB 3.34Å; G234-T238 PolarHBondContact O-N 2.82Å; G234-T238 PolarHBondContact O-OG1 2.83Å; P235-T238 PolarHBondContact O-N 2.71Å; P235-T238 VanDerWaalsContact O-N 3.1Å; T236-T238 VanDerWaalsContact C-N 3.31Å; T236-T238 PolarHBondContact O-N 3.12Å; T238-R242 WeakPolarHBondContact O-CG 3.39Å; T238-R242 PolarHBondContact O-N 2.97Å; T238-R242 VanDerWaalsContact O-N 3.12Å
239Y89Confident88.6Confident39 Ų3955.4 Ų55.415%0.15328%0.282CS..Hα-helixtrans-61.3-48.7176.4171.1-105000111.2A106 F113 L120 P235 T236 H241 R242 R243A106-Y239 HydrophobicContact CB-CD2 4.05Å; A106-Y239 HydrophobicContact CB-CE2 4.2Å; F113-Y239 AromaticContact CD2-CD2 3.88Å; F113-Y239 HydrophobicContact CD2-CD2 3.88Å; F113-Y239 AromaticContact CD2-CE2 3.6Å; F113-Y239 HydrophobicContact CD2-CE2 3.6Å; F113-Y239 HydrophobicContact CE2-CD2 4.29Å; F113-Y239 AromaticContact CE2-CE2 3.53Å; F113-Y239 HydrophobicContact CE2-CE2 3.53Å; F113-Y239 AromaticContact CE2-CZ 3.74Å; L120-Y239 HydrophobicContact CD1-CD1 4.21Å; L120-Y239 HydrophobicContact CD1-CE1 3.95Å; P235-Y239 WeakPolarHBondContact O-CB 3.42Å; P235-Y239 PolarHBondContact O-N 3.36Å; T236-Y239 PolarHBondContact O-N 2.97Å; Y239-H241 PolarHBondContact O-N 2.75Å; Y239-R242 PolarHBondContact O-N 2.9Å; Y239-R243 WeakPolarHBondContact O-CB 3.26Å; Y239-R243 PolarHBondContact O-N 2.83Å
240T88.1Confident88.6Confident2 Ų259.3 Ų59.31%0.01230%0.298CS..Hα-helixtrans-63.9-43.7-178.155.50000112.5L120 T236 K237 R243 L244 T585 F586L120-T240 HydrophobicContact CD1-CG2 4.19Å; L120-T240 HydrophobicContact CD2-CG2 4.3Å; T236-T240 HydrophobicContact CG2-CG2 4.33Å; T236-T240 WeakPolarHBondContact O-CB 3.49Å; T236-T240 WeakPolarHBondContact O-CG2 3.38Å; T236-T240 PolarHBondContact O-N 3.12Å; T236-T240 PolarHBondContact O-OG1 3.31Å; K237-T240 WeakPolarHBondContact CA-OG1 3.45Å; K237-T240 PolarHBondContact O-OG1 3.46Å; T240-R243 PolarHBondContact O-N 3.08Å; T240-L244 PolarHBondContact O-N 2.81Å; T240-T585 PolarHBondContact OG1-O 3.24Å; T240-F586 VanDerWaalsContact CB-CD2 3.41Å; T240-F586 HydrophobicContact CG2-CD2 3.87Å; T240-F586 HydrophobicContact CG2-CE2 3.96Å; T240-F586 HydrophobicContact CG2-CG 4.23Å; T240-F586 HydrophobicContact CG2-CZ 4.49Å
241H86.9Confident88.6Confident56 Ų5664.3 Ų64.326%0.25932%0.32SS..Hα-helixtrans-63.1-43177.5178.985.2000112.2K237 Y239 R243 L244 K245 S582K237-H241 VanDerWaalsContact O-CB 3.24Å; K237-H241 WeakPolarHBondContact O-CB 3.47Å; K237-H241 PolarHBondContact O-N 2.7Å; Y239-H241 PolarHBondContact O-N 2.75Å; H241-R243 VanDerWaalsContact C-N 3.34Å; H241-L244 PolarHBondContact O-N 3.31Å; H241-K245 WeakPolarHBondContact NE2-CE 3.34Å; H241-K245 PolarHBondContact NE2-NZ 2.96Å; H241-K245 PolarHBondContact O-N 2.85Å; H241-K245 VanDerWaalsContact O-N 3.15Å; H241-S582 PolarHBondContact ND1-O 2.65Å
242R87.3Confident88.9Confident113 Ų11367 Ų6743%0.42633%0.334SS..Hα-helixtrans-62.2-41.6172.1-72.5178.9-174.1-121.411.5111.3G107 T238 Y239 L244 K245 F246G107-R242 VanDerWaalsContact CA-CZ 3.49Å; G107-R242 VanDerWaalsContact O-CZ 3.27Å; G107-R242 PolarHBondContact O-NE 3.45Å; G107-R242 PolarHBondContact O-NH2 2.92Å; G107-R242 VanDerWaalsContact O-NH2 3.16Å; T238-R242 WeakPolarHBondContact O-CG 3.39Å; T238-R242 PolarHBondContact O-N 2.97Å; T238-R242 VanDerWaalsContact O-N 3.12Å; Y239-R242 PolarHBondContact O-N 2.9Å; R242-L244 PolarHBondContact O-N 3.28Å; R242-K245 PolarHBondContact O-N 3.1Å; R242-F246 HydrophobicContact CB-CE2 4.4Å; R242-F246 WeakPolarHBondContact O-CD2 3.41Å; R242-F246 PolarHBondContact O-N 3.34Å
243R87.8Confident89.3Confident111 Ų11168 Ų6842%0.41934%0.337SS..Hα-helixtrans-63-42179.7-174.755.4174.3167.7-2.2112.4Y239 T240 H241 F246 L247Y239-R243 WeakPolarHBondContact O-CB 3.26Å; Y239-R243 PolarHBondContact O-N 2.83Å; T240-R243 PolarHBondContact O-N 3.08Å; H241-R243 VanDerWaalsContact C-N 3.34Å; R243-F246 PolarHBondContact O-N 2.75Å; R243-L247 HydrophobicContact CG-CD1 4.5Å; R243-L247 WeakPolarHBondContact O-CG 3.45Å; R243-L247 PolarHBondContact O-N 2.84Å
244L88.6Confident89.5Confident40 Ų4066.7 Ų66.721%0.20933%0.331CS..Hα-helixtrans-62.2-44.2173.3-69.9172.8000111.8T240 H241 R242 F246 L247 M248 F586T240-L244 PolarHBondContact O-N 2.81Å; H241-L244 PolarHBondContact O-N 3.31Å; R242-L244 PolarHBondContact O-N 3.28Å; L244-F246 VanDerWaalsContact C-N 3.34Å; L244-F246 PolarHBondContact O-N 2.9Å; L244-L247 PolarHBondContact O-N 2.85Å; L244-L247 VanDerWaalsContact O-N 3.17Å; L244-M248 PolarHBondContact O-N 2.79Å; L244-F586 HydrophobicContact CD1-CD2 3.69Å; L244-F586 HydrophobicContact CD1-CE2 3.8Å; L244-F586 HydrophobicContact CD2-CD2 4.46Å; L244-F586 HydrophobicContact CD2-CE2 3.82Å; L244-F586 HydrophobicContact CD2-CZ 4.32Å; L244-F586 HydrophobicContact CG-CD2 4.07Å; L244-F586 HydrophobicContact CG-CE2 3.62Å
245K87.8Confident89.8Confident126 Ų12668.8 Ų68.855%0.54833%0.33SS..Hα-helixtrans-58.1-44.1174-80.8176.4166.41680112.2H241 R242 L247 M248 S249H241-K245 WeakPolarHBondContact NE2-CE 3.34Å; H241-K245 PolarHBondContact NE2-NZ 2.96Å; H241-K245 PolarHBondContact O-N 2.85Å; H241-K245 VanDerWaalsContact O-N 3.15Å; R242-K245 PolarHBondContact O-N 3.1Å; K245-L247 PolarHBondContact O-N 2.8Å; K245-M248 PolarHBondContact O-N 2.98Å; K245-S249 PolarHBondContact O-N 2.86Å; K245-S249 PolarHBondContact O-OG 2.74Å
246F87.6Confident90Very high73 Ų7373.6 Ų73.632%0.3235%0.35SS..Hα-helixtrans-65.5-33.7175.4-76.2-59.2000113.8I100 A105 R242 R243 L244 K250I100-F246 HydrophobicContact CD1-CB 4.01Å; I100-F246 HydrophobicContact CD1-CD1 3.7Å; I100-F246 HydrophobicContact CD1-CE1 4.48Å; I100-F246 HydrophobicContact CD1-CG 4.1Å; A105-F246 VanDerWaalsContact O-CE2 3.28Å; A105-F246 WeakPolarHBondContact O-CE2 3.43Å; R242-F246 HydrophobicContact CB-CE2 4.4Å; R242-F246 WeakPolarHBondContact O-CD2 3.41Å; R242-F246 PolarHBondContact O-N 3.34Å; R243-F246 PolarHBondContact O-N 2.75Å; L244-F246 VanDerWaalsContact C-N 3.34Å; L244-F246 PolarHBondContact O-N 2.9Å; F246-K250 VanDerWaalsContact O-CB 3.22Å; F246-K250 WeakPolarHBondContact O-CB 3.43Å; F246-K250 PolarHBondContact O-N 3.32Å
247L88.8Confident90.2Very high84 Ų8476.9 Ų76.944%0.4437%0.367SS..Hα-helixtrans-68.1-44.4174.3-70.8170.4000111.2R243 L244 K245 K250 F251R243-L247 HydrophobicContact CG-CD1 4.5Å; R243-L247 WeakPolarHBondContact O-CG 3.45Å; R243-L247 PolarHBondContact O-N 2.84Å; L244-L247 PolarHBondContact O-N 2.85Å; L244-L247 VanDerWaalsContact O-N 3.17Å; K245-L247 PolarHBondContact O-N 2.8Å; L247-K250 PolarHBondContact O-N 2.66Å; L247-F251 PolarHBondContact O-N 3.01Å
248M89.8Confident90.5Very high113 Ų11373.9 Ų73.956%0.55736%0.355SS*.Hα-helixtrans-60.5-52.7174.2-172.363.166.700111.2L244 K245 K250 F251 N252L244-M248 PolarHBondContact O-N 2.79Å; K245-M248 PolarHBondContact O-N 2.98Å; M248-K250 PolarHBondContact O-N 2.84Å; M248-F251 WeakPolarHBondContact O-CA 3.34Å; M248-F251 WeakPolarHBondContact O-CB 3.34Å; M248-F251 PolarHBondContact O-N 3.26Å; M248-N252 PolarHBondContact O-N 3.47Å; M248-N252 PolarHBondContact O-OD1 2.86Å
249S91Very high90.8Very high71 Ų7176.5 Ų76.550%0.49736%0.363SS..Hα-helixtrans-59.2-33.6176.7-60.70000113.1K245 V253K245-S249 PolarHBondContact O-N 2.86Å; K245-S249 PolarHBondContact O-OG 2.74Å; S249-V253 VanDerWaalsContact O-CG2 3.28Å; S249-V253 WeakPolarHBondContact O-CG2 3.43Å; S249-V253 PolarHBondContact O-N 3.23Å; S249-V253 VanDerWaalsContact O-N 3.13Å
250K90.3Very high90.9Very high88 Ų8880.7 Ų80.738%0.38339%0.385SS..Hα-helixtrans-69-36.4173.5175.6167.6172.8160.30112.3V98 F246 L247 M248 H254V98-K250 VanDerWaalsContact O-CE 3.25Å; V98-K250 WeakPolarHBondContact O-CE 3.35Å; V98-K250 PolarHBondContact O-NZ 3.35Å; F246-K250 VanDerWaalsContact O-CB 3.22Å; F246-K250 WeakPolarHBondContact O-CB 3.43Å; F246-K250 PolarHBondContact O-N 3.32Å; L247-K250 PolarHBondContact O-N 2.66Å; M248-K250 PolarHBondContact O-N 2.84Å; K250-H254 WeakPolarHBondContact O-CB 3.38Å; K250-H254 PolarHBondContact O-N 2.89Å
251F91.9Very high91Very high111 Ų11184.2 Ų84.249%0.48740%0.401SS..Hα-helixtrans-65-51.2174.4-179.1-101.6000111L247 M248 V253 H254 E255L247-F251 PolarHBondContact O-N 3.01Å; M248-F251 WeakPolarHBondContact O-CA 3.34Å; M248-F251 WeakPolarHBondContact O-CB 3.34Å; M248-F251 PolarHBondContact O-N 3.26Å; F251-V253 VanDerWaalsContact C-N 3.27Å; F251-V253 PolarHBondContact O-N 2.93Å; F251-H254 CarbonylContact O-C 3.59Å; F251-H254 WeakPolarHBondContact O-CA 3.44Å; F251-H254 VanDerWaalsContact O-CB 3.31Å; F251-H254 WeakPolarHBondContact O-CB 3.26Å; F251-H254 PolarHBondContact O-N 3.01Å; F251-E255 HydrophobicContact CD1-CG 4.32Å; F251-E255 HydrophobicContact CE1-CG 3.85Å; F251-E255 VanDerWaalsContact CE1-OE1 3.28Å; F251-E255 WeakPolarHBondContact CE1-OE1 3.45Å; F251-E255 WeakPolarHBondContact CE1-OE2 3.38Å; F251-E255 HydrophobicContact CE2-CG 4.43Å; F251-E255 HydrophobicContact CZ-CG 3.9Å; F251-E255 PolarHBondContact O-N 2.82Å
252N93.6Very high91.2Very high73 Ų7384.7 Ų84.739%0.3940%0.404SS..Hα-helixtrans-57.8-37.3178.1-62.437.1000112.8M248 M256M248-N252 PolarHBondContact O-N 3.47Å; M248-N252 PolarHBondContact O-OD1 2.86Å; N252-M256 WeakPolarHBondContact O-CE 3.44Å; N252-M256 WeakPolarHBondContact O-CG 3.47Å; N252-M256 PolarHBondContact O-N 3.46Å; N252-M256 VanDerWaalsContact O-N 3.13Å
253V94.4Very high91.2Very high51 Ų5182.5 Ų82.531%0.30940%0.4SS..Hα-helixtrans-76.2-30.1175.3-178.80000112V98 S249 F251 M256 L257V98-V253 HydrophobicContact CG2-CB 4.3Å; V98-V253 HydrophobicContact CG2-CG1 3.59Å; S249-V253 VanDerWaalsContact O-CG2 3.28Å; S249-V253 WeakPolarHBondContact O-CG2 3.43Å; S249-V253 PolarHBondContact O-N 3.23Å; S249-V253 VanDerWaalsContact O-N 3.13Å; F251-V253 VanDerWaalsContact C-N 3.27Å; F251-V253 PolarHBondContact O-N 2.93Å; V253-M256 HydrophobicContact CB-CE 4.26Å; V253-M256 HydrophobicContact CG2-CE 3.72Å; V253-L257 HydrophobicContact CG1-CD1 3.88Å; V253-L257 HydrophobicContact CG1-CG 4.21Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 VanDerWaalsContact O-CG 3.24Å; V253-L257 WeakPolarHBondContact O-CG 3.25Å; V253-L257 PolarHBondContact O-N 3.06Å; V253-L257 VanDerWaalsContact O-N 3.12Å
254H93.4Very high91.2Very high36 Ų3682 Ų8217%0.16740%0.401CS..Hα-helixtrans-61.5-47.3169.416995.9000110.7K250 F251 L257 N258 E262K250-H254 WeakPolarHBondContact O-CB 3.38Å; K250-H254 PolarHBondContact O-N 2.89Å; F251-H254 CarbonylContact O-C 3.59Å; F251-H254 WeakPolarHBondContact O-CA 3.44Å; F251-H254 VanDerWaalsContact O-CB 3.31Å; F251-H254 WeakPolarHBondContact O-CB 3.26Å; F251-H254 PolarHBondContact O-N 3.01Å; H254-L257 PolarHBondContact O-N 3.28Å; H254-N258 PolarHBondContact CE1-ND2 3.25Å; H254-N258 PolarHBondContact ND1-ND2 2.92Å; H254-N258 VanDerWaalsContact O-CB 3.24Å; H254-N258 WeakPolarHBondContact O-CB 3.15Å; H254-N258 PolarHBondContact O-N 2.87Å; H254-N258 PolarHBondContact O-ND2 3.49Å; H254-E262 IonicContact CD2-OE1 3.31Å; H254-E262 IonicContact CE1-OE1 2.74Å; H254-E262 IonicContact NE2-OE1 2.77Å; H254-E262 PolarHBondContact NE2-OE1 3.09Å
255E94.3Very high91.1Very high84 Ų8482.9 Ų82.939%0.39340%0.404SS..Hα-helixtrans-56-54175.1-66.6175.5118.200110.8F251 L257 N258 E259F251-E255 HydrophobicContact CD1-CG 4.32Å; F251-E255 HydrophobicContact CE1-CG 3.85Å; F251-E255 VanDerWaalsContact CE1-OE1 3.28Å; F251-E255 WeakPolarHBondContact CE1-OE1 3.45Å; F251-E255 WeakPolarHBondContact CE1-OE2 3.38Å; F251-E255 HydrophobicContact CE2-CG 4.43Å; F251-E255 HydrophobicContact CZ-CG 3.9Å; F251-E255 PolarHBondContact O-N 2.82Å; E255-L257 PolarHBondContact O-N 3.17Å; E255-L257 VanDerWaalsContact O-N 3.08Å; E255-N258 PolarHBondContact O-N 2.95Å; E255-N258 VanDerWaalsContact O-N 3.16Å; E255-E259 WeakPolarHBondContact O-CB 3.24Å; E255-E259 PolarHBondContact O-N 3.5Å
256M94.1Very high90.9Very high145 Ų14582.6 Ų82.671%0.71441%0.408SS*.Hα-helixtrans-59.9-21.9-180-72.1-173.4-65.500115N252 V253N252-M256 WeakPolarHBondContact O-CE 3.44Å; N252-M256 WeakPolarHBondContact O-CG 3.47Å; N252-M256 PolarHBondContact O-N 3.46Å; N252-M256 VanDerWaalsContact O-N 3.13Å; V253-M256 HydrophobicContact CB-CE 4.26Å; V253-M256 HydrophobicContact CG2-CE 3.72Å
257L93.8Very high90.7Very high73 Ų7386.4 Ų86.438%0.38242%0.424SS..Hα-helixtrans-97.5-25.2177.7-67.3175.8000113.5Q96 V98 V253 H254 E255Q96-L257 HydrophobicContact CB-CB 4.11Å; Q96-L257 HydrophobicContact CB-CD1 4.11Å; V98-L257 HydrophobicContact CG2-CD1 4.07Å; V253-L257 HydrophobicContact CG1-CD1 3.88Å; V253-L257 HydrophobicContact CG1-CG 4.21Å; V253-L257 WeakPolarHBondContact O-CB 3.46Å; V253-L257 VanDerWaalsContact O-CG 3.24Å; V253-L257 WeakPolarHBondContact O-CG 3.25Å; V253-L257 PolarHBondContact O-N 3.06Å; V253-L257 VanDerWaalsContact O-N 3.12Å; H254-L257 PolarHBondContact O-N 3.28Å; E255-L257 PolarHBondContact O-N 3.17Å; E255-L257 VanDerWaalsContact O-N 3.08Å
258N94.6Very high90.5Very high3 Ų388.9 Ų88.92%0.01644%0.435CS..Hα-helixtrans-123.5-12-164.8-61.1-58.2000115.3F95 Q96 H254 E255 M260 E261 E262F95-N258 WeakPolarHBondContact CA-OD1 3.36Å; F95-N258 HydrophobicContact CD1-CB 3.75Å; F95-N258 HydrophobicContact CE1-CB 4.4Å; F95-N258 HydrophobicContact CG-CB 4.44Å; Q96-N258 PolarHBondContact N-OD1 2.94Å; Q96-N258 PolarHBondContact O-ND2 3.37Å; H254-N258 PolarHBondContact CE1-ND2 3.25Å; H254-N258 PolarHBondContact ND1-ND2 2.92Å; H254-N258 VanDerWaalsContact O-CB 3.24Å; H254-N258 WeakPolarHBondContact O-CB 3.15Å; H254-N258 PolarHBondContact O-N 2.87Å; H254-N258 PolarHBondContact O-ND2 3.49Å; E255-N258 PolarHBondContact O-N 2.95Å; E255-N258 VanDerWaalsContact O-N 3.16Å; N258-M260 PolarHBondContact O-N 3.38Å; N258-E261 WeakPolarHBondContact O-CA 3.1Å; N258-E261 PolarHBondContact O-N 3.07Å; N258-E262 HydrophobicContact CB-CG 4.49Å; N258-E262 PolarHBondContact O-N 3.27Å
259E93.6Very high90Very high114 Ų11485 Ų8553%0.53342%0.417SS..Hα-helixtrans-44.7-45.6-179-179.1-163.6-168.500112.8E255 E261 E262 L263E255-E259 WeakPolarHBondContact O-CB 3.24Å; E255-E259 PolarHBondContact O-N 3.5Å; E259-E261 VanDerWaalsContact C-N 3.32Å; E259-E261 PolarHBondContact O-N 2.99Å; E259-E262 PolarHBondContact O-N 3.2Å; E259-L263 WeakPolarHBondContact O-CB 3.08Å; E259-L263 PolarHBondContact O-N 3.32Å
260M91.7Very high89.1Confident128 Ų12886.3 Ų86.363%0.63142%0.424SS*.Hα-helixtrans-69.2-28.3-177.3-65.4-66.6140.100113.5N258 K264N258-M260 PolarHBondContact O-N 3.38Å; M260-K264 WeakPolarHBondContact O-CB 3.34Å; M260-K264 PolarHBondContact O-N 3.43Å
261E90.4Very high88.5Confident75 Ų7590.1 Ų90.135%0.3544%0.442SS..Hα-helixtrans-85.5-36.8176.3-72.5-67.7133.100111.2F95 N258 E259 K264 E265F95-E261 HydrophobicContact CD1-CB 4.48Å; F95-E261 HydrophobicContact CE1-CB 4.16Å; N258-E261 WeakPolarHBondContact O-CA 3.1Å; N258-E261 PolarHBondContact O-N 3.07Å; E259-E261 VanDerWaalsContact C-N 3.32Å; E259-E261 PolarHBondContact O-N 2.99Å; E261-K264 CarbonylContact O-C 3.52Å; E261-K264 WeakPolarHBondContact O-CB 3.3Å; E261-K264 PolarHBondContact O-N 2.93Å; E261-K264 WeakPolarHBondContact OE1-CD 3.49Å; E261-K264 IonicContact OE1-NZ 2.66Å; E261-K264 PolarHBondContact OE1-NZ 3.12Å; E261-K264 WeakPolarHBondContact OE2-CD 3.43Å; E261-K264 IonicContact OE2-NZ 3.08Å; E261-K264 PolarHBondContact OE2-NZ 3.16Å; E261-E265 PolarHBondContact O-N 2.91Å
262E90.4Very high87.7Confident67 Ų6790.9 Ų90.931%0.31344%0.442SS..Hα-helixtrans-62.6-46.4170.3-67.7-177.9155.300111.3F95 H254 N258 E259 K264 E265 L266F95-E262 HydrophobicContact CD1-CG 4.34Å; F95-E262 HydrophobicContact CE1-CB 4.49Å; F95-E262 HydrophobicContact CE1-CG 3.51Å; F95-E262 HydrophobicContact CZ-CG 3.69Å; H254-E262 IonicContact CD2-OE1 3.31Å; H254-E262 IonicContact CE1-OE1 2.74Å; H254-E262 IonicContact NE2-OE1 2.77Å; H254-E262 PolarHBondContact NE2-OE1 3.09Å; N258-E262 HydrophobicContact CB-CG 4.49Å; N258-E262 PolarHBondContact O-N 3.27Å; E259-E262 PolarHBondContact O-N 3.2Å; E262-K264 PolarHBondContact O-N 3.2Å; E262-E265 PolarHBondContact O-N 3.26Å; E262-L266 WeakPolarHBondContact O-CG 3.41Å; E262-L266 PolarHBondContact O-N 3.28Å
263L88.6Confident87.2Confident67 Ų6791 Ų9135%0.35144%0.443SS..Hα-helixtrans-64.2-24.1175.6-17961.2000112.6E259 K267E259-L263 WeakPolarHBondContact O-CB 3.08Å; E259-L263 PolarHBondContact O-N 3.32Å; L263-K267 VanDerWaalsContact O-CD 3.22Å; L263-K267 WeakPolarHBondContact O-CD 3.25Å; L263-K267 WeakPolarHBondContact O-CG 3.36Å; L263-K267 PolarHBondContact O-N 3.22Å
264K87.5Confident86.8Confident101 Ų10195.9 Ų95.944%0.43946%0.46SS..Hα-helixtrans-81.2-43173.7168.8-173.2164.8-153.90110.9M260 E261 E262 L266 K267 M268M260-K264 WeakPolarHBondContact O-CB 3.34Å; M260-K264 PolarHBondContact O-N 3.43Å; E261-K264 CarbonylContact O-C 3.52Å; E261-K264 WeakPolarHBondContact O-CB 3.3Å; E261-K264 PolarHBondContact O-N 2.93Å; E261-K264 WeakPolarHBondContact OE1-CD 3.49Å; E261-K264 IonicContact OE1-NZ 2.66Å; E261-K264 PolarHBondContact OE1-NZ 3.12Å; E261-K264 WeakPolarHBondContact OE2-CD 3.43Å; E261-K264 IonicContact OE2-NZ 3.08Å; E261-K264 PolarHBondContact OE2-NZ 3.16Å; E262-K264 PolarHBondContact O-N 3.2Å; K264-L266 VanDerWaalsContact C-N 3.34Å; K264-L266 PolarHBondContact O-N 3.39Å; K264-K267 CarbonylContact O-C 3.56Å; K264-K267 PolarHBondContact O-N 3.44Å; K264-K267 VanDerWaalsContact O-N 3.13Å; K264-M268 WeakPolarHBondContact O-CB 3.13Å; K264-M268 VanDerWaalsContact O-CG 3.26Å; K264-M268 WeakPolarHBondContact O-CG 3.37Å; K264-M268 PolarHBondContact O-N 3.45Å
265E85.4Confident86.4Confident58 Ų58102.5 Ų102.527%0.27149%0.485SS..Hα-helixtrans-56.4-47.9172-168-166.1141.400110.9P93 F95 E261 E262 K267 M268 N269P93-E265 VanDerWaalsContact CD-OE2 3.23Å; P93-E265 WeakPolarHBondContact CD-OE2 3.45Å; P93-E265 HydrophobicContact CG-CB 4.45Å; P93-E265 HydrophobicContact CG-CG 4.44Å; F95-E265 WeakPolarHBondContact CZ-OE2 3.34Å; E261-E265 PolarHBondContact O-N 2.91Å; E262-E265 PolarHBondContact O-N 3.26Å; E265-K267 VanDerWaalsContact C-N 3.29Å; E265-K267 PolarHBondContact O-N 3.42Å; E265-M268 CarbonylContact O-C 3.25Å; E265-M268 WeakPolarHBondContact O-CA 3.49Å; E265-M268 PolarHBondContact O-N 2.92Å; E265-N269 PolarHBondContact O-N 3.4Å
266L83.4Confident86Confident119 Ų119100.4 Ų100.462%0.62348%0.476SS*.Hα-helixtrans-57.4-38.9175.2-71.5171.7000112.7E262 K264 M268 N269E262-L266 WeakPolarHBondContact O-CG 3.41Å; E262-L266 PolarHBondContact O-N 3.28Å; K264-L266 VanDerWaalsContact C-N 3.34Å; K264-L266 PolarHBondContact O-N 3.39Å; L266-M268 VanDerWaalsContact C-N 3.34Å; L266-N269 PolarHBondContact O-N 3.03Å
267K84.5Confident85.8Confident153 Ų15396.1 Ų96.167%0.66546%0.46SS*.Hα-helixtrans-74.9-22.5175.8-71.9166-170.1165.20113.4L263 K264 E265 N269L263-K267 VanDerWaalsContact O-CD 3.22Å; L263-K267 WeakPolarHBondContact O-CD 3.25Å; L263-K267 WeakPolarHBondContact O-CG 3.36Å; L263-K267 PolarHBondContact O-N 3.22Å; K264-K267 CarbonylContact O-C 3.56Å; K264-K267 PolarHBondContact O-N 3.44Å; K264-K267 VanDerWaalsContact O-N 3.13Å; E265-K267 VanDerWaalsContact C-N 3.29Å; E265-K267 PolarHBondContact O-N 3.42Å; K267-N269 VanDerWaalsContact C-N 3.34Å
268M83.5Confident85.7Confident136 Ų136100.5 Ų100.567%0.6747%0.472SS*.Hα-helixtrans-85.9-3.6176.3-71.6-63.8-6200113.1K264 E265 L266 P270K264-M268 WeakPolarHBondContact O-CB 3.13Å; K264-M268 VanDerWaalsContact O-CG 3.26Å; K264-M268 WeakPolarHBondContact O-CG 3.37Å; K264-M268 PolarHBondContact O-N 3.45Å; E265-M268 CarbonylContact O-C 3.25Å; E265-M268 WeakPolarHBondContact O-CA 3.49Å; E265-M268 PolarHBondContact O-N 2.92Å; L266-M268 VanDerWaalsContact C-N 3.34Å; M268-P270 VanDerWaalsContact C-CD 3.47Å; M268-P270 WeakPolarHBondContact O-CD 3.21Å
269N79.9Confident85.7Confident33 Ų33103.6 Ų103.618%0.17649%0.485CS..SBendtrans-106.975.9-177.5-153.3-38000111.4E265 L266 K267 H271 R272E265-N269 PolarHBondContact O-N 3.4Å; L266-N269 PolarHBondContact O-N 3.03Å; K267-N269 VanDerWaalsContact C-N 3.34Å; N269-H271 PolarHBondContact O-N 3.12Å; N269-R272 HydrophobicContact CB-CB 4.34Å; N269-R272 PolarHBondContact O-N 2.76Å; N269-R272 VanDerWaalsContact O-N 3.12Å; N269-R272 WeakPolarHBondContact OD1-CD 3.35Å; N269-R272 WeakPolarHBondContact OD1-CG 3.43Å
270P71.9Confident85.7Confident98 Ų98102.2 Ų102.264%0.63648%0.484SS*.THydrogen-bonded Turntrans-59.4138.9-175.626.1-35.7000111.4M268 R272M268-P270 VanDerWaalsContact C-CD 3.47Å; M268-P270 WeakPolarHBondContact O-CD 3.21Å; P270-R272 PolarHBondContact O-N 3.01Å
271H77.3Confident85.9Confident167 Ų16799.5 Ų99.577%0.77347%0.472SS*.THydrogen-bonded Turntrans65.911.4-175.2-45.9-77.8000116.1N269 N276N269-H271 PolarHBondContact O-N 3.12Å; H271-N276 WeakPolarHBondContact O-CB 3.37Å
272R75.7Confident86Confident128 Ų12898.9 Ų98.948%0.48347%0.473SS..  trans-107.6100.7160.1-71.3-160.2-173-161.65.8111.2N269 P270N269-R272 HydrophobicContact CB-CB 4.34Å; N269-R272 PolarHBondContact O-N 2.76Å; N269-R272 VanDerWaalsContact O-N 3.12Å; N269-R272 WeakPolarHBondContact OD1-CD 3.35Å; N269-R272 WeakPolarHBondContact OD1-CG 3.43Å; P270-R272 PolarHBondContact O-N 3.01Å
273D82.3Confident86.1Confident76 Ų7698.7 Ų98.741%0.40647%0.472SS..SBendtrans-124.2-177168.86224.9000110.3Y275 N276 C277D273-Y275 PolarHBondContact O-N 3.24Å; D273-Y275 VanDerWaalsContact O-N 3.17Å; D273-Y275 WeakPolarHBondContact OD1-CA 3.48Å; D273-Y275 WeakPolarHBondContact OD1-CB 3.2Å; D273-Y275 PolarHBondContact OD1-N 3.45Å; D273-N276 VanDerWaalsContact CG-ND2 3.33Å; D273-N276 PolarHBondContact O-N 3.34Å; D273-N276 PolarHBondContact OD1-N 3.27Å; D273-N276 PolarHBondContact OD1-ND2 3.04Å; D273-N276 PolarHBondContact OD2-ND2 2.92Å; D273-C277 PolarHBondContact O-N 3.25Å; D273-C277 VanDerWaalsContact O-N 3.1Å; D273-C277 PolarHBondContact O-SG 3.15Å; D273-C277 VanDerWaalsContact O-SG 3.41Å
274F86Confident86.3Confident152 Ų15297 Ų9767%0.66746%0.463SS*.THydrogen-bonded Turntrans-55.3-32.5177.4-177.1-97.4000113.1K279F274-K279 HydrophobicContact CZ-CD 4.5Å; F274-K279 WeakPolarHBondContact O-CE 3.17Å; F274-K279 PolarHBondContact O-NZ 3.4Å
275Y85.1Confident86.4Confident175 Ų17593.1 Ų93.169%0.68645%0.447SS*.THydrogen-bonded Turntrans-79.5-40.2-178.8-62.6-77.7000112D273 Y399D273-Y275 PolarHBondContact O-N 3.24Å; D273-Y275 VanDerWaalsContact O-N 3.17Å; D273-Y275 WeakPolarHBondContact OD1-CA 3.48Å; D273-Y275 WeakPolarHBondContact OD1-CB 3.2Å; D273-Y275 PolarHBondContact OD1-N 3.45Å; Y275-Y399 WeakPolarHBondContact O-CD2 3.26Å
276N87.3Confident86.6Confident40 Ų4090.5 Ų90.521%0.21444%0.435CS..THydrogen-bonded Turntrans-80.9-14.2-176.6-69.9-86.2000114.6H271 D273 R278 Y399H271-N276 WeakPolarHBondContact O-CB 3.37Å; D273-N276 VanDerWaalsContact CG-ND2 3.33Å; D273-N276 PolarHBondContact O-N 3.34Å; D273-N276 PolarHBondContact OD1-N 3.27Å; D273-N276 PolarHBondContact OD1-ND2 3.04Å; D273-N276 PolarHBondContact OD2-ND2 2.92Å; N276-R278 PolarHBondContact O-NH1 3.45Å; N276-Y399 HydrophobicContact CB-CE2 4.03Å; N276-Y399 WeakPolarHBondContact O-CD1 3.28Å; N276-Y399 WeakPolarHBondContact OD1-CE2 3.43Å; N276-Y399 VanDerWaalsContact OD1-CZ 3.28Å; N276-Y399 PolarHBondContact OD1-OH 3.34Å
277C89.3Confident86.7Confident55 Ų5585.9 Ų85.937%0.37241%0.414SS..SBendtrans-69.6132.1167.8-77.20000111.7D273 K279D273-C277 PolarHBondContact O-N 3.25Å; D273-C277 VanDerWaalsContact O-N 3.1Å; D273-C277 PolarHBondContact O-SG 3.15Å; D273-C277 VanDerWaalsContact O-SG 3.41Å; C277-K279 PolarHBondContact O-NZ 3.33Å
278R92.3Very high86.7Confident166 Ų16680 Ų8063%0.62639%0.394SS*.  trans-71.1136.1178.5-73.462.6164.4167.6-9.1109.6N276 Y399 Y401N276-R278 PolarHBondContact O-NH1 3.45Å; R278-Y399 CarbonylContact C-O 3.54Å; R278-Y399 VanDerWaalsContact CA-O 3.31Å; R278-Y399 WeakPolarHBondContact CA-O 3.41Å; R278-Y399 HydrophobicContact CG-CD1 4.34Å; R278-Y399 VanDerWaalsContact NH1-CE1 3.26Å; R278-Y401 HydrophobicContact CG-CE2 4.27Å
279K93.6Very high86.8Confident68 Ų6874.7 Ų74.730%0.29637%0.37SS..EExtended strand (participates in β ladder)trans-133142.4-179.7-59.9171.9-147.667.30108.8F274 C277 Y399 Y401F274-K279 HydrophobicContact CZ-CD 4.5Å; F274-K279 WeakPolarHBondContact O-CE 3.17Å; F274-K279 PolarHBondContact O-NZ 3.4Å; C277-K279 PolarHBondContact O-NZ 3.33Å; K279-Y399 PolarHBondContact N-O 3.05Å; K279-Y401 PolarHBondContact O-N 3.17Å
280V94.3Very high87.2Confident85 Ų8574 Ų7452%0.51537%0.366SS..EExtended strand (participates in β ladder)trans-124.5122.3176.7-168.40000107.9T282 Y401V280-T282 HydrophobicContact CB-CG2 4.14Å; V280-T282 HydrophobicContact CG1-CG2 3.88Å; V280-T282 PolarHBondContact O-N 2.79Å; V280-Y401 CarbonylContact C-O 3.46Å; V280-Y401 WeakPolarHBondContact CA-O 3.48Å
281D95.2Very high87.9Confident71 Ų7174.6 Ų74.638%0.3836%0.364SS..EExtended strand (participates in β ladder)trans-76.7105163.4-170.1-24000108.7H283 I284 Y401 A402 E403D281-H283 PolarHBondContact OD1-N 3.3Å; D281-I284 PolarHBondContact OD1-N 2.74Å; D281-Y401 PolarHBondContact N-O 3.24Å; D281-A402 HydrophobicContact CB-CB 4.2Å; D281-A402 CarbonylContact O-C 3.15Å; D281-E403 PolarHBondContact O-N 3.14Å
282T93.1Very high88.1Confident61 Ų6168.8 Ų68.837%0.37434%0.337SS..  trans-94.4-0.7-179.6580000112.9V280 R405V280-T282 HydrophobicContact CB-CG2 4.14Å; V280-T282 HydrophobicContact CG1-CG2 3.88Å; V280-T282 PolarHBondContact O-N 2.79Å; T282-R405 PolarHBondContact O-NH1 3.11Å; T282-R405 PolarHBondContact O-NH2 3.22Å
283H92.9Very high88.6Confident63 Ų6369.4 Ų69.429%0.29234%0.343SS..SBendtrans-137.657-177.3-166.5-168.7000113.5D281 H285 H552 H574D281-H283 PolarHBondContact OD1-N 3.3Å; H283-H285 AromaticContact NE2-NE2 3.87Å; H283-H552 AromaticContact CD2-CE1 3.93Å; H283-H552 AromaticContact CD2-NE2 3.98Å; H283-H552 AromaticContact CE1-NE2 3.9Å; H283-H552 AromaticContact NE2-CD2 3.86Å; H283-H552 AromaticContact NE2-CE1 3.34Å; H283-H552 PolarHBondContact NE2-CE1 3.24Å; H283-H552 VanDerWaalsContact NE2-CE1 3.34Å; H283-H552 AromaticContact NE2-NE2 3.03Å; H283-H552 PolarHBondContact NE2-NE2 2.82Å; H283-H574 AromaticContact CE1-CD2 3.69Å; H283-H574 AromaticContact CE1-CE1 3.68Å; H283-H574 AromaticContact CE1-NE2 3.34Å; H283-H574 PolarHBondContact CE1-NE2 3.17Å; H283-H574 VanDerWaalsContact CE1-NE2 3.34Å; H283-H574 AromaticContact NE2-NE2 3.82Å
284I91.1Very high89Confident31 Ų3166.7 Ų66.716%0.15933%0.328CS..  trans-117.8144.4173.1-160.1168000111.9D281 C289 A402 P404 R405D281-I284 PolarHBondContact OD1-N 2.74Å; I284-C289 HydrophobicContact CD1-CB 4.12Å; I284-A402 HydrophobicContact CG2-CB 4.36Å; I284-P404 HydrophobicContact CG2-CB 4.18Å; I284-P404 WeakPolarHBondContact O-CA 3.39Å; I284-R405 PolarHBondContact O-N 3.33Å
285H89.7Confident89.1Confident20 Ų2059.6 Ų59.69%0.09330%0.297CS..BIsolated β-bridgetrans-99138.4173.7-56.1-95.1000109.4H283 A287 A288 C289 F355 Q438 H552H283-H285 AromaticContact NE2-NE2 3.87Å; H285-A287 VanDerWaalsContact C-N 3.29Å; H285-A287 PolarHBondContact O-N 3.12Å; H285-A288 HydrophobicContact CB-CB 4.39Å; H285-A288 CarbonylContact O-C 2.7Å; H285-A288 WeakPolarHBondContact O-CA 3.45Å; H285-A288 WeakPolarHBondContact O-CB 3.38Å; H285-A288 PolarHBondContact O-N 3.04Å; H285-C289 PolarHBondContact O-N 2.89Å; H285-F355 HydrophobicContact CB-CZ 4.37Å; H285-F355 AromaticContact CD2-CZ 3.48Å; H285-F355 VanDerWaalsContact CD2-CZ 3.48Å; H285-F355 WeakPolarHBondContact CD2-CZ 3.32Å; H285-F355 AromaticContact CG-CZ 3.85Å; H285-F355 AromaticContact NE2-CZ 3.78Å; H285-Q438 PolarHBondContact CE1-OE1 3.05Å; H285-Q438 PolarHBondContact ND1-OE1 3.34Å; H285-H552 AromaticContact CE1-CE1 3.68Å; H285-H552 AromaticContact CE1-NE2 3.34Å; H285-H552 PolarHBondContact CE1-NE2 3.36Å; H285-H552 VanDerWaalsContact CE1-NE2 3.34Å; H285-H552 AromaticContact NE2-NE2 3.52Å
286A90.9Very high89.3Confident3 Ų352.2 Ų52.23%0.02527%0.269CS..G310 helixtrans-58.8-37.9-173.700000113.3A288 C289 F383 P404 R405 L406 W435A286-A288 PolarHBondContact O-N 2.71Å; A286-A288 VanDerWaalsContact O-N 3.12Å; A286-C289 PolarHBondContact O-N 3.36Å; A286-C289 PolarHBondContact O-SG 3.3Å; A286-F383 HydrophobicContact CB-CZ 3.86Å; A286-P404 HydrophobicContact CB-CB 4.05Å; A286-R405 WeakPolarHBondContact CB-O 3.43Å; A286-R405 PolarHBondContact N-O 3.43Å; A286-L406 HydrophobicContact CB-CD2 3.72Å; A286-L406 HydrophobicContact CB-CG 4.26Å; A286-W435 HydrophobicContact CB-CZ3 4.06Å
287A85.6Confident89.4Confident22 Ų2257.8 Ų57.818%0.18229%0.287CS..G310 helixtrans-68.7-4.5176.200000114.4H285 M290 Y359 F383H285-A287 VanDerWaalsContact C-N 3.29Å; H285-A287 PolarHBondContact O-N 3.12Å; A287-M290 WeakPolarHBondContact O-CE 3.15Å; A287-Y359 WeakPolarHBondContact O-CD1 3.33Å; A287-F383 HydrophobicContact CB-CZ 4.49Å
288A83.6Confident89.6Confident29 Ų2955.4 Ų55.424%0.2427%0.271CS..G310 helixtrans-122.67.6-178.900000113.1H285 A286 M290 Y359H285-A288 HydrophobicContact CB-CB 4.39Å; H285-A288 CarbonylContact O-C 2.7Å; H285-A288 WeakPolarHBondContact O-CA 3.45Å; H285-A288 WeakPolarHBondContact O-CB 3.38Å; H285-A288 PolarHBondContact O-N 3.04Å; A286-A288 PolarHBondContact O-N 2.71Å; A286-A288 VanDerWaalsContact O-N 3.12Å; A288-M290 VanDerWaalsContact C-N 3.31Å; A288-M290 PolarHBondContact O-N 3.18Å; A288-Y359 HydrophobicContact CB-CE1 3.54Å; A288-Y359 WeakPolarHBondContact CB-OH 3.33Å
289C86.1Confident89.5Confident25 Ų2547.6 Ų47.617%0.16924%0.241CC..SBendtrans-73.8-17.3-171.169.20000115.1I284 H285 A286I284-C289 HydrophobicContact CD1-CB 4.12Å; H285-C289 PolarHBondContact O-N 2.89Å; A286-C289 PolarHBondContact O-N 3.36Å; A286-C289 PolarHBondContact O-SG 3.3Å
290M87.7Confident89.4Confident20 Ų2046.8 Ų46.810%0.09924%0.238CC..SBendtrans-104.3148.2-179.963.3-71.1170.300112.5A287 A288 H294 L295 L372 I386 V390A287-M290 WeakPolarHBondContact O-CE 3.15Å; A288-M290 VanDerWaalsContact C-N 3.31Å; A288-M290 PolarHBondContact O-N 3.18Å; M290-H294 WeakPolarHBondContact CB-ND1 3.14Å; M290-L295 HydrophobicContact CE-CB 4.4Å; M290-L295 HydrophobicContact CE-CD1 4.16Å; M290-L295 HydrophobicContact CE-CD2 3.98Å; M290-L295 HydrophobicContact CE-CG 4.41Å; M290-L295 HydrophobicContact CG-CB 4.16Å; M290-L372 HydrophobicContact CE-CD2 3.29Å; M290-I386 HydrophobicContact CB-CG2 3.86Å; M290-I386 HydrophobicContact CG-CG2 3.55Å; M290-I386 HydrophobicContact SD-CG2 3.64Å; M290-V390 HydrophobicContact CB-CG2 3.65Å
291N86.4Confident89.3Confident110 Ų11048 Ų4859%0.58823%0.233SC*.  trans-63.6142.7172.1-173.7-55.6000111K293 H294 L295N291-K293 PolarHBondContact O-N 3.19Å; N291-K293 WeakPolarHBondContact OD1-CB 3.45Å; N291-K293 PolarHBondContact OD1-N 3.41Å; N291-H294 HydrophobicContact CB-CB 4.32Å; N291-H294 WeakPolarHBondContact O-CA 3.19Å; N291-H294 VanDerWaalsContact O-CB 3.29Å; N291-H294 WeakPolarHBondContact O-CB 3.37Å; N291-H294 PolarHBondContact O-N 3.08Å; N291-L295 PolarHBondContact O-N 2.97Å
292Q81.8Confident89.2Confident45 Ų4545 Ų4521%0.2122%0.217CC..Hα-helixtrans-51.3-39.9176.2-46.2176.2-29.600113H294 L295 L296 V337 V342 H343Q292-H294 VanDerWaalsContact C-N 3.28Å; Q292-H294 PolarHBondContact O-N 2.86Å; Q292-L295 PolarHBondContact O-N 2.81Å; Q292-L296 WeakPolarHBondContact O-CB 3.34Å; Q292-L296 PolarHBondContact O-N 2.93Å; Q292-V337 HydrophobicContact CB-CG1 3.84Å; Q292-V342 HydrophobicContact CB-CG2 3.8Å; Q292-V342 HydrophobicContact CG-CB 4.36Å; Q292-V342 HydrophobicContact CG-CG2 3.51Å; Q292-V342 VanDerWaalsContact NE2-C 3.31Å; Q292-V342 PolarHBondContact NE2-O 3.04Å; Q292-H343 PolarHBondContact NE2-CD2 2.69Å; Q292-H343 VanDerWaalsContact NE2-CD2 3.33Å; Q292-H343 PolarHBondContact OE1-NE2 3.25Å
293K87.3Confident89.1Confident140 Ų14043.9 Ų43.961%0.60921%0.207SC*.Hα-helixtrans-69.8-21.7176.8-175.4178.1178.9-179.70113N291 R297N291-K293 PolarHBondContact O-N 3.19Å; N291-K293 WeakPolarHBondContact OD1-CB 3.45Å; N291-K293 PolarHBondContact OD1-N 3.41Å; K293-R297 WeakPolarHBondContact O-CB 3.36Å; K293-R297 PolarHBondContact O-N 3.24Å
294H89.9Confident89Confident19 Ų1950.3 Ų50.39%0.08823%0.228CC..Hα-helixtrans-81-49.7171.8174-151.8000110.2M290 N291 Q292 L296 R297 F298 E389M290-H294 WeakPolarHBondContact CB-ND1 3.14Å; N291-H294 HydrophobicContact CB-CB 4.32Å; N291-H294 WeakPolarHBondContact O-CA 3.19Å; N291-H294 VanDerWaalsContact O-CB 3.29Å; N291-H294 WeakPolarHBondContact O-CB 3.37Å; N291-H294 PolarHBondContact O-N 3.08Å; Q292-H294 VanDerWaalsContact C-N 3.28Å; Q292-H294 PolarHBondContact O-N 2.86Å; H294-L296 PolarHBondContact O-N 2.79Å; H294-R297 WeakPolarHBondContact O-CB 3.42Å; H294-R297 PolarHBondContact O-N 2.89Å; H294-R297 VanDerWaalsContact O-N 3.09Å; H294-F298 PolarHBondContact O-N 3.35Å; H294-E389 IonicContact CD2-OE2 2.68Å; H294-E389 IonicContact CE1-OE2 3.82Å; H294-E389 IonicContact NE2-OE2 3.12Å; H294-E389 PolarHBondContact NE2-OE2 2.82Å
295L89.1Confident89.1Confident3 Ų354.3 Ų54.32%0.01625%0.254CS..Hα-helixtrans-54.1-48.7173.6176.860.4000112.1M290 N291 Q292 R297 F298 I299 L340 V342 L372 I386M290-L295 HydrophobicContact CE-CB 4.4Å; M290-L295 HydrophobicContact CE-CD1 4.16Å; M290-L295 HydrophobicContact CE-CD2 3.98Å; M290-L295 HydrophobicContact CE-CG 4.41Å; M290-L295 HydrophobicContact CG-CB 4.16Å; N291-L295 PolarHBondContact O-N 2.97Å; Q292-L295 PolarHBondContact O-N 2.81Å; L295-R297 VanDerWaalsContact C-N 3.3Å; L295-R297 PolarHBondContact O-N 3.32Å; L295-F298 WeakPolarHBondContact O-CB 3.29Å; L295-F298 PolarHBondContact O-N 3.28Å; L295-F298 VanDerWaalsContact O-N 3.15Å; L295-I299 HydrophobicContact CD1-CD1 3.84Å; L295-I299 HydrophobicContact CD1-CG1 4.13Å; L295-I299 HydrophobicContact CG-CD1 3.85Å; L295-I299 WeakPolarHBondContact O-CG1 3.12Å; L295-I299 PolarHBondContact O-N 3.39Å; L295-L340 HydrophobicContact CD2-CD1 4.38Å; L295-L340 HydrophobicContact CG-CD1 4.38Å; L295-V342 HydrophobicContact CD2-CG1 4.42Å; L295-L372 HydrophobicContact CD1-CD2 4.22Å; L295-L372 HydrophobicContact CD2-CD2 4.45Å; L295-I386 HydrophobicContact CD1-CD1 4.04Å
296L87.8Confident89.2Confident20 Ų2055 Ų5511%0.10526%0.258CS..Hα-helixtrans-59.2-41.5177.5-175.863.7000112.2Q292 H294 F298 I299 K300 L335 V337 L340Q292-L296 WeakPolarHBondContact O-CB 3.34Å; Q292-L296 PolarHBondContact O-N 2.93Å; H294-L296 PolarHBondContact O-N 2.79Å; L296-F298 VanDerWaalsContact C-N 3.35Å; L296-I299 PolarHBondContact O-N 3.28Å; L296-K300 WeakPolarHBondContact O-CG 3.49Å; L296-K300 PolarHBondContact O-N 2.92Å; L296-L335 HydrophobicContact CD1-CB 3.73Å; L296-V337 HydrophobicContact CD2-CG2 3.77Å; L296-L340 HydrophobicContact CB-CD1 3.79Å; L296-L340 HydrophobicContact CD1-CD1 3.94Å; L296-L340 HydrophobicContact CD1-CG 4.24Å; L296-L340 HydrophobicContact CG-CD1 4.43Å
297R90.9Very high89.3Confident157 Ų15755.5 Ų55.559%0.59226%0.262SS*.Hα-helixtrans-66.2-39.3177.5-165.9-165.7-41.7160.813.4111.1K293 H294 L295 R301K293-R297 WeakPolarHBondContact O-CB 3.36Å; K293-R297 PolarHBondContact O-N 3.24Å; H294-R297 WeakPolarHBondContact O-CB 3.42Å; H294-R297 PolarHBondContact O-N 2.89Å; H294-R297 VanDerWaalsContact O-N 3.09Å; L295-R297 VanDerWaalsContact C-N 3.3Å; L295-R297 PolarHBondContact O-N 3.32Å; R297-R301 VanDerWaalsContact O-CB 3.25Å; R297-R301 WeakPolarHBondContact O-CB 3.17Å; R297-R301 PolarHBondContact O-N 3.08Å
298F92.6Very high89.7Confident6 Ų659.6 Ų59.63%0.02628%0.281CS..Hα-helixtrans-61.5-52.7174.9-166.7-75.6000110.5H294 L295 L296 K300 R301 S302 Y371 Y382 T385 I386H294-F298 PolarHBondContact O-N 3.35Å; L295-F298 WeakPolarHBondContact O-CB 3.29Å; L295-F298 PolarHBondContact O-N 3.28Å; L295-F298 VanDerWaalsContact O-N 3.15Å; L296-F298 VanDerWaalsContact C-N 3.35Å; F298-K300 VanDerWaalsContact C-N 3.34Å; F298-K300 PolarHBondContact O-N 3Å; F298-R301 VanDerWaalsContact CD2-NH2 3.27Å; F298-R301 CarbonylContact O-C 3.46Å; F298-R301 WeakPolarHBondContact O-CA 3.36Å; F298-R301 WeakPolarHBondContact O-CB 3.41Å; F298-R301 PolarHBondContact O-N 3.36Å; F298-S302 PolarHBondContact O-N 2.92Å; F298-S302 PolarHBondContact O-OG 3.44Å; F298-S302 VanDerWaalsContact O-OG 3.07Å; F298-Y371 HydrophobicContact CD1-CD1 4Å; F298-Y371 AromaticContact CD1-CE1 3.87Å; F298-Y371 HydrophobicContact CD1-CE1 3.87Å; F298-Y371 HydrophobicContact CE1-CD1 4.11Å; F298-Y371 AromaticContact CE1-CE1 3.95Å; F298-Y371 HydrophobicContact CE1-CE1 3.95Å; F298-Y382 AromaticContact CE1-CD1 4Å; F298-Y382 HydrophobicContact CE1-CD1 4Å; F298-Y382 AromaticContact CE1-CG 3.92Å; F298-Y382 HydrophobicContact CE1-CG 3.92Å; F298-Y382 HydrophobicContact CZ-CD1 4.17Å; F298-Y382 HydrophobicContact CZ-CG 4.38Å; F298-T385 HydrophobicContact CE2-CG2 3.81Å; F298-T385 HydrophobicContact CZ-CG2 4.1Å; F298-I386 HydrophobicContact CB-CG1 4.35Å; F298-I386 HydrophobicContact CD1-CD1 3.97Å; F298-I386 HydrophobicContact CD1-CG1 3.97Å; F298-I386 HydrophobicContact CD2-CD1 4.34Å; F298-I386 HydrophobicContact CD2-CG1 3.45Å; F298-I386 VanDerWaalsContact CD2-CG1 3.45Å; F298-I386 HydrophobicContact CE1-CD1 4.23Å; F298-I386 HydrophobicContact CE1-CG1 4.13Å; F298-I386 HydrophobicContact CE2-CG1 3.59Å; F298-I386 HydrophobicContact CG-CD1 4.05Å; F298-I386 HydrophobicContact CG-CG1 3.65Å; F298-I386 HydrophobicContact CZ-CG1 3.95Å
299I89.9Confident90.2Very high2 Ų261.7 Ų61.71%0.0128%0.283CS..Hα-helixtrans-57.9-43.6179.2-65.5166.9000111.6L295 L296 R301 S302 Y303 F325 L335 L340 Y371L295-I299 HydrophobicContact CD1-CD1 3.84Å; L295-I299 HydrophobicContact CD1-CG1 4.13Å; L295-I299 HydrophobicContact CG-CD1 3.85Å; L295-I299 WeakPolarHBondContact O-CG1 3.12Å; L295-I299 PolarHBondContact O-N 3.39Å; L296-I299 PolarHBondContact O-N 3.28Å; I299-R301 VanDerWaalsContact C-N 3.28Å; I299-R301 PolarHBondContact O-N 3.44Å; I299-S302 WeakPolarHBondContact CA-OG 3.21Å; I299-S302 PolarHBondContact O-OG 3.16Å; I299-S302 VanDerWaalsContact O-OG 3.09Å; I299-Y303 PolarHBondContact O-N 2.54Å; I299-F325 HydrophobicContact CG2-CE1 4.41Å; I299-F325 HydrophobicContact CG2-CZ 3.8Å; I299-L335 HydrophobicContact CG2-CD1 3.99Å; I299-L340 HydrophobicContact CD1-CD2 3.98Å; I299-Y371 HydrophobicContact CD1-CD2 4.48Å; I299-Y371 HydrophobicContact CG1-CD1 4.14Å; I299-Y371 HydrophobicContact CG1-CD2 4.09Å; I299-Y371 HydrophobicContact CG1-CE1 4.06Å; I299-Y371 HydrophobicContact CG1-CE2 4.01Å; I299-Y371 HydrophobicContact CG1-CG 4.17Å; I299-Y371 HydrophobicContact CG2-CE2 4.39Å
300K90.8Very high90.5Very high50 Ų5062.9 Ų62.922%0.21729%0.289CS..Hα-helixtrans-70.6-21.6176.1-67.1-167-169.7-153.50113.4L296 F298 R304 P332 Y333 L335L296-K300 WeakPolarHBondContact O-CG 3.49Å; L296-K300 PolarHBondContact O-N 2.92Å; F298-K300 VanDerWaalsContact C-N 3.34Å; F298-K300 PolarHBondContact O-N 3Å; K300-R304 VanDerWaalsContact O-CD 3.24Å; K300-R304 WeakPolarHBondContact O-CD 3.27Å; K300-R304 VanDerWaalsContact O-CG 3.25Å; K300-R304 WeakPolarHBondContact O-CG 3.41Å; K300-P332 VanDerWaalsContact CD-O 3.25Å; K300-P332 WeakPolarHBondContact CD-O 3.35Å; K300-P332 WeakPolarHBondContact CE-O 3.24Å; K300-P332 WeakPolarHBondContact CG-O 3.49Å; K300-P332 PolarHBondContact NZ-O 3.24Å; K300-P332 VanDerWaalsContact NZ-O 3.16Å; K300-Y333 PolarHBondContact NZ-O 2.81Å; K300-L335 WeakPolarHBondContact CE-O 3.41Å; K300-L335 PolarHBondContact NZ-O 3Å
301R93.1Very high90.6Very high111 Ų11162 Ų6242%0.41929%0.285SS..Hα-helixtrans-82.6-50.9175.6-173.3-173.472.7-161.62.2110.9R297 F298 I299 Y303 R304 V305 E389R297-R301 VanDerWaalsContact O-CB 3.25Å; R297-R301 WeakPolarHBondContact O-CB 3.17Å; R297-R301 PolarHBondContact O-N 3.08Å; F298-R301 VanDerWaalsContact CD2-NH2 3.27Å; F298-R301 CarbonylContact O-C 3.46Å; F298-R301 WeakPolarHBondContact O-CA 3.36Å; F298-R301 WeakPolarHBondContact O-CB 3.41Å; F298-R301 PolarHBondContact O-N 3.36Å; I299-R301 VanDerWaalsContact C-N 3.28Å; I299-R301 PolarHBondContact O-N 3.44Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; R301-Y303 PolarHBondContact O-N 3.4Å; R301-R304 PolarHBondContact O-N 2.88Å; R301-R304 VanDerWaalsContact O-N 3.07Å; R301-V305 PolarHBondContact O-N 3.34Å; R301-E389 IonicContact CZ-OE1 2.65Å; R301-E389 IonicContact NH1-OE1 3.93Å; R301-E389 PolarHBondContact NH1-OE1 3.1Å; R301-E389 IonicContact NH1-OE2 2.75Å; R301-E389 IonicContact NH2-OE1 2.78Å; R301-E389 PolarHBondContact NH2-OE1 3.15Å
302S92.6Very high90.6Very high7 Ų758.5 Ų58.55%0.04927%0.265CS..Hα-helixtrans-57.7-45.717950.90000111.1F298 I299 R304 V305 D306 Y371F298-S302 PolarHBondContact O-N 2.92Å; F298-S302 PolarHBondContact O-OG 3.44Å; F298-S302 VanDerWaalsContact O-OG 3.07Å; I299-S302 WeakPolarHBondContact CA-OG 3.21Å; I299-S302 PolarHBondContact O-OG 3.16Å; I299-S302 VanDerWaalsContact O-OG 3.09Å; S302-R304 PolarHBondContact O-N 3.23Å; S302-V305 PolarHBondContact O-N 3.2Å; S302-V305 VanDerWaalsContact O-N 3.12Å; S302-D306 WeakPolarHBondContact O-CA 3.11Å; S302-D306 WeakPolarHBondContact O-CB 3.1Å; S302-D306 PolarHBondContact O-N 2.88Å; S302-Y371 WeakPolarHBondContact OG-CE1 3.24Å; S302-Y371 PolarHBondContact OG-OH 2.92Å
303Y90.4Very high90.8Very high39 Ų3959.4 Ų59.415%0.15327%0.271CS..Hα-helixtrans-59.1-34176.3-173.1-81.6000113.7I299 R301 V305 A307 M321 F325 P332I299-Y303 PolarHBondContact O-N 2.54Å; R301-Y303 VanDerWaalsContact C-N 3.35Å; R301-Y303 PolarHBondContact O-N 3.4Å; Y303-V305 VanDerWaalsContact C-N 3.3Å; Y303-V305 PolarHBondContact O-N 3.35Å; Y303-A307 VanDerWaalsContact O-CB 3.32Å; Y303-A307 WeakPolarHBondContact O-CB 2.86Å; Y303-A307 PolarHBondContact O-N 2.86Å; Y303-M321 WeakPolarHBondContact CA-SD 3.28Å; Y303-M321 HydrophobicContact CD2-CG 4Å; Y303-M321 HydrophobicContact CD2-SD 4.07Å; Y303-M321 HydrophobicContact CG-SD 4.4Å; Y303-F325 HydrophobicContact CD2-CB 4.44Å; Y303-F325 HydrophobicContact CD2-CD1 4.2Å; Y303-F325 AromaticContact CD2-CD2 3.84Å; Y303-F325 HydrophobicContact CD2-CD2 3.84Å; Y303-F325 HydrophobicContact CD2-CE1 4.42Å; Y303-F325 HydrophobicContact CD2-CE2 4.08Å; Y303-F325 AromaticContact CD2-CG 3.89Å; Y303-F325 HydrophobicContact CD2-CG 3.89Å; Y303-F325 HydrophobicContact CD2-CZ 4.37Å; Y303-F325 HydrophobicContact CE2-CB 3.81Å; Y303-F325 HydrophobicContact CE2-CD1 4.24Å; Y303-F325 HydrophobicContact CE2-CD2 4.04Å; Y303-F325 AromaticContact CE2-CG 3.76Å; Y303-F325 HydrophobicContact CE2-CG 3.76Å; Y303-P332 HydrophobicContact CD1-CB 4.35Å; Y303-P332 HydrophobicContact CD1-CG 3.5Å; Y303-P332 HydrophobicContact CD2-CG 3.44Å; Y303-P332 VanDerWaalsContact CD2-CG 3.44Å; Y303-P332 HydrophobicContact CE1-CG 3.73Å; Y303-P332 HydrophobicContact CE2-CG 3.68Å; Y303-P332 HydrophobicContact CG-CB 4.21Å; Y303-P332 HydrophobicContact CG-CG 3.33Å
304R91.4Very high90.4Very high197 Ų19755.9 Ų55.974%0.74326%0.259SS*.Hα-helixtrans-75.9-16.8-179.1-72.3173.7-179.6-172-1.9113.9K300 R301 S302K300-R304 VanDerWaalsContact O-CD 3.24Å; K300-R304 WeakPolarHBondContact O-CD 3.27Å; K300-R304 VanDerWaalsContact O-CG 3.25Å; K300-R304 WeakPolarHBondContact O-CG 3.41Å; R301-R304 PolarHBondContact O-N 2.88Å; R301-R304 VanDerWaalsContact O-N 3.07Å; S302-R304 PolarHBondContact O-N 3.23Å
305V92.9Very high89.7Confident115 Ų11565.7 Ų65.770%0.69730%0.301SS*.Hα-helixtrans-110.6-44.1-176.7-175.90000110.8R301 S302 Y303R301-V305 PolarHBondContact O-N 3.34Å; S302-V305 PolarHBondContact O-N 3.2Å; S302-V305 VanDerWaalsContact O-N 3.12Å; Y303-V305 VanDerWaalsContact C-N 3.3Å; Y303-V305 PolarHBondContact O-N 3.35Å
306D93.1Very high89.2Confident35 Ų3568.6 Ų68.619%0.18733%0.332CS..SBendtrans-105.425.3-172-68.238000111.8S302 D308 R309 M321 Y382S302-D306 WeakPolarHBondContact O-CA 3.11Å; S302-D306 WeakPolarHBondContact O-CB 3.1Å; S302-D306 PolarHBondContact O-N 2.88Å; D306-D308 VanDerWaalsContact C-N 3.29Å; D306-D308 PolarHBondContact O-N 2.93Å; D306-R309 HydrophobicContact CB-CB 3.87Å; D306-R309 WeakPolarHBondContact O-CB 3.23Å; D306-R309 PolarHBondContact O-N 2.91Å; D306-R309 WeakPolarHBondContact OD2-CD 3.22Å; D306-R309 IonicContact OD2-CZ 2.79Å; D306-R309 IonicContact OD2-NE 3.54Å; D306-R309 IonicContact OD2-NH1 3.37Å; D306-R309 PolarHBondContact OD2-NH1 3.14Å; D306-M321 HydrophobicContact CB-CE 4.15Å; D306-M321 WeakPolarHBondContact O-CB 3.45Å; D306-Y382 WeakPolarHBondContact CB-OH 3.29Å; D306-Y382 PolarHBondContact OD2-OH 2.91Å; D306-Y382 VanDerWaalsContact OD2-OH 3.09Å
307A91.7Very high89.1Confident13 Ų1375.3 Ų75.311%0.10736%0.356CS..THydrogen-bonded Turntrans-52.2-45.3-176.100000113.3Y303 M321 R322Y303-A307 VanDerWaalsContact O-CB 3.32Å; Y303-A307 WeakPolarHBondContact O-CB 2.86Å; Y303-A307 PolarHBondContact O-N 2.86Å; A307-M321 PolarHBondContact O-N 2.95Å; A307-R322 PolarHBondContact O-N 3.28Å
308D93.8Very high89.2Confident108 Ų10873.3 Ų73.358%0.57835%0.353SS*.THydrogen-bonded Turntrans-90.42.5-177.9-60.8-88.3000113D306 T320 R322D306-D308 VanDerWaalsContact C-N 3.29Å; D306-D308 PolarHBondContact O-N 2.93Å; D308-T320 WeakPolarHBondContact O-CG2 3.41Å; D308-R322 IonicContact OD1-CZ 3.7Å; D308-R322 IonicContact OD1-NH1 3.74Å; D308-R322 PolarHBondContact OD1-NH1 3.17Å; D308-R322 IonicContact OD1-NH2 3.38Å; D308-R322 PolarHBondContact OD1-NH2 2.81Å; D308-R322 VanDerWaalsContact OD1-NH2 3.12Å; D308-R322 IonicContact OD2-CZ 3.66Å; D308-R322 IonicContact OD2-NH1 3.19Å; D308-R322 IonicContact OD2-NH2 2.68Å; D308-R322 PolarHBondContact OD2-NH2 3.2Å
309R94Very high89.1Confident73 Ų7373.3 Ų73.328%0.27535%0.354SS..SBendtrans-74.4132.6177.3-173.6177.2177.8172.92.8109.8D306 V311 T320 M321 E381D306-R309 HydrophobicContact CB-CB 3.87Å; D306-R309 WeakPolarHBondContact O-CB 3.23Å; D306-R309 PolarHBondContact O-N 2.91Å; D306-R309 WeakPolarHBondContact OD2-CD 3.22Å; D306-R309 IonicContact OD2-CZ 2.79Å; D306-R309 IonicContact OD2-NE 3.54Å; D306-R309 IonicContact OD2-NH1 3.37Å; D306-R309 PolarHBondContact OD2-NH1 3.14Å; R309-V311 HydrophobicContact CB-CG1 4.41Å; R309-V311 HydrophobicContact CG-CG1 4.25Å; R309-V311 PolarHBondContact O-N 2.98Å; R309-T320 CarbonylContact O-C 3.53Å; R309-T320 WeakPolarHBondContact O-CA 3.43Å; R309-M321 PolarHBondContact O-N 2.94Å; R309-E381 IonicContact CZ-OE1 3.7Å; R309-E381 VanDerWaalsContact CZ-OE1 3.31Å; R309-E381 IonicContact CZ-OE2 3.59Å; R309-E381 IonicContact NH1-OE1 3.75Å; R309-E381 PolarHBondContact NH1-OE1 3.29Å; R309-E381 IonicContact NH1-OE2 3.09Å; R309-E381 IonicContact NH2-OE1 3.33Å; R309-E381 PolarHBondContact NH2-OE1 3.16Å; R309-E381 IonicContact NH2-OE2 3.79Å; R309-E381 PolarHBondContact NH2-OE2 3.04Å
310V93.4Very high89.3Confident50 Ų5074.3 Ų74.330%0.30336%0.36SS..EExtended strand (participates in β ladder)trans-66124.1168.1-174.10000109E318 H377V310-E318 HydrophobicContact CG1-CB 3.73Å; V310-E318 HydrophobicContact CG1-CG 4.19Å; V310-H377 VanDerWaalsContact CG1-NE2 3.31Å; V310-H377 WeakPolarHBondContact CG1-NE2 3.01Å
311V90.4Very high89.3Confident1 Ų172 Ų721%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-129.1-14.8-174.5-68.40000114.3R309 V319 M321 L324 L370 I378 Y382R309-V311 HydrophobicContact CB-CG1 4.41Å; R309-V311 HydrophobicContact CG-CG1 4.25Å; R309-V311 PolarHBondContact O-N 2.98Å; V311-V319 PolarHBondContact N-O 2.92Å; V311-M321 HydrophobicContact CG1-CB 4.26Å; V311-M321 HydrophobicContact CG1-CE 3.95Å; V311-M321 HydrophobicContact CG2-CB 3.93Å; V311-M321 HydrophobicContact CG2-CG 4.37Å; V311-L324 HydrophobicContact CG2-CD2 3.97Å; V311-L370 HydrophobicContact CB-CD1 3.78Å; V311-L370 HydrophobicContact CB-CD2 3.95Å; V311-L370 HydrophobicContact CG1-CD1 4.26Å; V311-L370 HydrophobicContact CG1-CD2 4.48Å; V311-L370 HydrophobicContact CG2-CD2 3.9Å; V311-I378 HydrophobicContact CB-CG2 4.49Å; V311-I378 HydrophobicContact CG1-CG2 4.28Å; V311-Y382 HydrophobicContact CG1-CE2 4.36Å
312H85.7Confident89.2Confident37 Ų3770.8 Ų70.817%0.17135%0.346CS..EExtended strand (participates in β ladder)trans-149.6162.1-177.9-158.266000111.2V319 L324H312-V319 PolarHBondContact N-O 3.36Å; H312-V319 PolarHBondContact O-N 3.37Å; H312-L324 HydrophobicContact CB-CD1 4.45Å; H312-L324 HydrophobicContact CB-CD2 4.28Å
313N85.8Confident89.1Confident65 Ų6572.9 Ų72.935%0.34836%0.355SS..EExtended strand (participates in β ladder)trans-126.8106.5175.4-172.3-61.2000109.7G316 R317N313-G316 WeakPolarHBondContact OD1-CA 3.41Å; N313-G316 PolarHBondContact OD1-N 2.78Å; N313-R317 CarbonylContact C-O 3.57Å; N313-R317 VanDerWaalsContact CA-O 3.27Å; N313-R317 WeakPolarHBondContact CA-O 3.43Å
314L79.5Confident88.9Confident66 Ų6671 Ų7135%0.34635%0.347SS..EExtended strand (participates in β ladder)trans-92.7104.7177.6-69.9179.5000109.5G316 R317 V319L314-G316 PolarHBondContact O-N 2.89Å; L314-R317 PolarHBondContact N-O 2.94Å; L314-R317 PolarHBondContact O-N 2.82Å; L314-V319 HydrophobicContact CB-CG2 4.01Å; L314-V319 HydrophobicContact CD1-CG2 4.12Å; L314-V319 HydrophobicContact CG-CG2 4.05Å
315K74.3Confident88.6Confident224 Ų22461.7 Ų61.797%0.97431%0.312SS*.THydrogen-bonded Turntrans5633.9171.8-55.5176.2-178.3172.70114.1
316G79.1Confident88.3Confident65 Ų6561.7 Ų61.767%0.6730%0.304SS*.THydrogen-bonded Turntrans99-14.2-178.700000114.6N313 L314N313-G316 WeakPolarHBondContact OD1-CA 3.41Å; N313-G316 PolarHBondContact OD1-N 2.78Å; L314-G316 PolarHBondContact O-N 2.89Å
317R86.6Confident87.8Confident161 Ų16163 Ų6361%0.60832%0.317SS*.EExtended strand (participates in β ladder)trans-87129.2169.6172.5170.7174.7169.8-2.4109.8N313 L314 V319 E323N313-R317 CarbonylContact C-O 3.57Å; N313-R317 VanDerWaalsContact CA-O 3.27Å; N313-R317 WeakPolarHBondContact CA-O 3.43Å; L314-R317 PolarHBondContact N-O 2.94Å; L314-R317 PolarHBondContact O-N 2.82Å; R317-V319 HydrophobicContact CG-CG2 4.17Å; R317-E323 IonicContact CZ-OE1 2.71Å; R317-E323 IonicContact NE-OE1 3.3Å; R317-E323 IonicContact NH2-OE1 3.49Å; R317-E323 PolarHBondContact NH2-OE1 3.45Å
318E91.3Very high87.2Confident114 Ų11464.5 Ų64.553%0.53332%0.323SS..EExtended strand (participates in β ladder)trans-72.7139.1166.3-71.9-172.1153.100110.7V310 H377V310-E318 HydrophobicContact CG1-CB 3.73Å; V310-E318 HydrophobicContact CG1-CG 4.19Å; E318-H377 IonicContact OE1-CE1 2.62Å
319V91.6Very high86.6Confident6 Ų666.6 Ų66.64%0.03633%0.334CS..EExtended strand (participates in β ladder)trans-133.8126.8-169-179.70000109.7V311 H312 L314 R317 E323 L324V311-V319 PolarHBondContact N-O 2.92Å; H312-V319 PolarHBondContact N-O 3.36Å; H312-V319 PolarHBondContact O-N 3.37Å; L314-V319 HydrophobicContact CB-CG2 4.01Å; L314-V319 HydrophobicContact CD1-CG2 4.12Å; L314-V319 HydrophobicContact CG-CG2 4.05Å; R317-V319 HydrophobicContact CG-CG2 4.17Å; V319-E323 HydrophobicContact CG1-CB 3.59Å; V319-L324 HydrophobicContact CG1-CB 4.09Å
320T93.7Very high85.8Confident24 Ų2465 Ų6515%0.14733%0.33CS..EExtended strand (participates in β ladder)trans-72.2164176.559.60000112.5D308 R309 R322 E323 L324D308-T320 WeakPolarHBondContact O-CG2 3.41Å; R309-T320 CarbonylContact O-C 3.53Å; R309-T320 WeakPolarHBondContact O-CA 3.43Å; T320-R322 VanDerWaalsContact C-N 3.26Å; T320-R322 PolarHBondContact O-N 3.43Å; T320-E323 WeakPolarHBondContact CB-OE2 3.18Å; T320-E323 WeakPolarHBondContact CG2-OE2 3.32Å; T320-E323 PolarHBondContact N-OE2 3.15Å; T320-E323 PolarHBondContact O-N 3.17Å; T320-E323 VanDerWaalsContact OG1-CG 3.28Å; T320-E323 WeakPolarHBondContact OG1-CG 3.23Å; T320-E323 PolarHBondContact OG1-N 2.96Å; T320-E323 PolarHBondContact OG1-OE2 3.5Å; T320-L324 WeakPolarHBondContact O-CB 3.36Å; T320-L324 PolarHBondContact O-N 3.29Å
321M90.8Very high85.1Confident0 Ų067.7 Ų67.70%034%0.339CS..Hα-helixtrans-62.4-35.7176.9-166-179.9-58.100111.9Y303 D306 A307 R309 V311 L324 F325 Y371 Y382Y303-M321 WeakPolarHBondContact CA-SD 3.28Å; Y303-M321 HydrophobicContact CD2-CG 4Å; Y303-M321 HydrophobicContact CD2-SD 4.07Å; Y303-M321 HydrophobicContact CG-SD 4.4Å; D306-M321 HydrophobicContact CB-CE 4.15Å; D306-M321 WeakPolarHBondContact O-CB 3.45Å; A307-M321 PolarHBondContact O-N 2.95Å; R309-M321 PolarHBondContact O-N 2.94Å; V311-M321 HydrophobicContact CG1-CB 4.26Å; V311-M321 HydrophobicContact CG1-CE 3.95Å; V311-M321 HydrophobicContact CG2-CB 3.93Å; V311-M321 HydrophobicContact CG2-CG 4.37Å; M321-L324 PolarHBondContact O-N 3.21Å; M321-F325 HydrophobicContact CG-CD2 3.93Å; M321-F325 HydrophobicContact CG-CE2 3.9Å; M321-F325 VanDerWaalsContact O-CD2 3.28Å; M321-F325 WeakPolarHBondContact O-CD2 3.39Å; M321-F325 PolarHBondContact O-N 3.47Å; M321-F325 VanDerWaalsContact O-N 3.15Å; M321-F325 HydrophobicContact SD-CE2 4.25Å; M321-Y371 WeakPolarHBondContact CE-OH 3.32Å; M321-Y371 PolarHBondContact SD-OH 3.16Å; M321-Y371 VanDerWaalsContact SD-OH 3.34Å; M321-Y382 HydrophobicContact CE-CE2 3.51Å; M321-Y382 WeakPolarHBondContact CE-OH 3.32Å
322R90.9Very high84.4Confident86 Ų8668 Ų6833%0.32534%0.342SS..Hα-helixtrans-59.2-57.4172.7-172.7-179.1-56.3114.68.9111.5A307 D308 T320 L324 F325 E326A307-R322 PolarHBondContact O-N 3.28Å; D308-R322 IonicContact OD1-CZ 3.7Å; D308-R322 IonicContact OD1-NH1 3.74Å; D308-R322 PolarHBondContact OD1-NH1 3.17Å; D308-R322 IonicContact OD1-NH2 3.38Å; D308-R322 PolarHBondContact OD1-NH2 2.81Å; D308-R322 VanDerWaalsContact OD1-NH2 3.12Å; D308-R322 IonicContact OD2-CZ 3.66Å; D308-R322 IonicContact OD2-NH1 3.19Å; D308-R322 IonicContact OD2-NH2 2.68Å; D308-R322 PolarHBondContact OD2-NH2 3.2Å; T320-R322 VanDerWaalsContact C-N 3.26Å; T320-R322 PolarHBondContact O-N 3.43Å; R322-L324 VanDerWaalsContact C-N 3.25Å; R322-L324 PolarHBondContact O-N 2.88Å; R322-F325 PolarHBondContact O-N 3.42Å; R322-E326 VanDerWaalsContact CG-OE1 3.31Å; R322-E326 WeakPolarHBondContact CG-OE1 3.3Å; R322-E326 WeakPolarHBondContact O-CG 3.45Å; R322-E326 PolarHBondContact O-N 3.09Å
323E90.1Very high83.9Confident51 Ų5174.6 Ų74.624%0.23837%0.366CS..Hα-helixtrans-60.2-33.8179.8-70.1166.5110.500112.7R317 V319 T320 S327R317-E323 IonicContact CZ-OE1 2.71Å; R317-E323 IonicContact NE-OE1 3.3Å; R317-E323 IonicContact NH2-OE1 3.49Å; R317-E323 PolarHBondContact NH2-OE1 3.45Å; V319-E323 HydrophobicContact CG1-CB 3.59Å; T320-E323 WeakPolarHBondContact CB-OE2 3.18Å; T320-E323 WeakPolarHBondContact CG2-OE2 3.32Å; T320-E323 PolarHBondContact N-OE2 3.15Å; T320-E323 PolarHBondContact O-N 3.17Å; T320-E323 VanDerWaalsContact OG1-CG 3.28Å; T320-E323 WeakPolarHBondContact OG1-CG 3.23Å; T320-E323 PolarHBondContact OG1-N 2.96Å; T320-E323 PolarHBondContact OG1-OE2 3.5Å; E323-S327 VanDerWaalsContact O-CB 3.3Å; E323-S327 WeakPolarHBondContact O-CB 3.43Å; E323-S327 PolarHBondContact O-N 3.35Å; E323-S327 PolarHBondContact O-OG 3.43Å
324L86.4Confident83.5Confident0 Ų076.3 Ų76.30%038%0.375CS..Hα-helixtrans-64.2-47.9177.2179.362.3000111V311 H312 V319 T320 M321 R322 S327 L328 E366 L367 L370V311-L324 HydrophobicContact CG2-CD2 3.97Å; H312-L324 HydrophobicContact CB-CD1 4.45Å; H312-L324 HydrophobicContact CB-CD2 4.28Å; V319-L324 HydrophobicContact CG1-CB 4.09Å; T320-L324 WeakPolarHBondContact O-CB 3.36Å; T320-L324 PolarHBondContact O-N 3.29Å; M321-L324 PolarHBondContact O-N 3.21Å; R322-L324 VanDerWaalsContact C-N 3.25Å; R322-L324 PolarHBondContact O-N 2.88Å; L324-S327 PolarHBondContact O-N 3.44Å; L324-S327 PolarHBondContact O-OG 2.73Å; L324-L328 HydrophobicContact CD1-CD1 4.5Å; L324-L328 WeakPolarHBondContact O-CG 3.22Å; L324-L328 PolarHBondContact O-N 2.88Å; L324-E366 HydrophobicContact CD1-CB 3.95Å; L324-E366 HydrophobicContact CD1-CG 4.46Å; L324-L367 HydrophobicContact CD2-CD2 4.36Å; L324-L370 HydrophobicContact CD2-CD2 3.87Å
325F85.1Confident83.4Confident1 Ų173.4 Ų73.40%0.00436%0.36CS..Hα-helixtrans-64.4-42.5177-90.1-107.8000112I299 Y303 M321 R322 S327 L328 N329 L330 P332 L335 L367I299-F325 HydrophobicContact CG2-CE1 4.41Å; I299-F325 HydrophobicContact CG2-CZ 3.8Å; Y303-F325 HydrophobicContact CD2-CB 4.44Å; Y303-F325 HydrophobicContact CD2-CD1 4.2Å; Y303-F325 AromaticContact CD2-CD2 3.84Å; Y303-F325 HydrophobicContact CD2-CD2 3.84Å; Y303-F325 HydrophobicContact CD2-CE1 4.42Å; Y303-F325 HydrophobicContact CD2-CE2 4.08Å; Y303-F325 AromaticContact CD2-CG 3.89Å; Y303-F325 HydrophobicContact CD2-CG 3.89Å; Y303-F325 HydrophobicContact CD2-CZ 4.37Å; Y303-F325 HydrophobicContact CE2-CB 3.81Å; Y303-F325 HydrophobicContact CE2-CD1 4.24Å; Y303-F325 HydrophobicContact CE2-CD2 4.04Å; Y303-F325 AromaticContact CE2-CG 3.76Å; Y303-F325 HydrophobicContact CE2-CG 3.76Å; M321-F325 HydrophobicContact CG-CD2 3.93Å; M321-F325 HydrophobicContact CG-CE2 3.9Å; M321-F325 VanDerWaalsContact O-CD2 3.28Å; M321-F325 WeakPolarHBondContact O-CD2 3.39Å; M321-F325 PolarHBondContact O-N 3.47Å; M321-F325 VanDerWaalsContact O-N 3.15Å; M321-F325 HydrophobicContact SD-CE2 4.25Å; R322-F325 PolarHBondContact O-N 3.42Å; F325-S327 VanDerWaalsContact C-N 3.34Å; F325-S327 PolarHBondContact O-N 3.05Å; F325-L328 PolarHBondContact O-N 2.98Å; F325-N329 PolarHBondContact O-N 3.11Å; F325-L330 CarbonylContact C-O 3.49Å; F325-L330 WeakPolarHBondContact CB-O 3.29Å; F325-L330 HydrophobicContact CD1-CB 4.22Å; F325-L330 PolarHBondContact O-N 2.88Å; F325-P332 HydrophobicContact CD1-CG 3.69Å; F325-P332 HydrophobicContact CE1-CB 4.27Å; F325-P332 HydrophobicContact CE1-CG 3.74Å; F325-P332 HydrophobicContact CG-CG 4.48Å; F325-L335 HydrophobicContact CE1-CD1 4.01Å; F325-L367 HydrophobicContact CD2-CD2 4.36Å; F325-L367 HydrophobicContact CE2-CD2 3.72Å; F325-L367 HydrophobicContact CZ-CD2 4.01Å
326E87Confident83.3Confident115 Ų11565.7 Ų65.754%0.53733%0.332SS..Hα-helixtrans-58-44172.4-71170.5178.900111.6R322 L328 N329R322-E326 VanDerWaalsContact CG-OE1 3.31Å; R322-E326 WeakPolarHBondContact CG-OE1 3.3Å; R322-E326 WeakPolarHBondContact O-CG 3.45Å; R322-E326 PolarHBondContact O-N 3.09Å; E326-L328 PolarHBondContact O-N 3.47Å; E326-N329 PolarHBondContact O-N 2.9Å
327S83.5Confident82.6Confident63 Ų6364.6 Ų64.644%0.44131%0.312SS..Hα-helixtrans-64.6-25.8179.477.60000114.1E323 L324 F325E323-S327 VanDerWaalsContact O-CB 3.3Å; E323-S327 WeakPolarHBondContact O-CB 3.43Å; E323-S327 PolarHBondContact O-N 3.35Å; E323-S327 PolarHBondContact O-OG 3.43Å; L324-S327 PolarHBondContact O-N 3.44Å; L324-S327 PolarHBondContact O-OG 2.73Å; F325-S327 VanDerWaalsContact C-N 3.34Å; F325-S327 PolarHBondContact O-N 3.05Å
328L78.8Confident81.4Confident45 Ų4562.1 Ų62.124%0.23631%0.311CS..THydrogen-bonded Turntrans-89.2-3.6175.3-63.8172.4000112.6L324 F325 E326 L330 A364 L367L324-L328 HydrophobicContact CD1-CD1 4.5Å; L324-L328 WeakPolarHBondContact O-CG 3.22Å; L324-L328 PolarHBondContact O-N 2.88Å; F325-L328 PolarHBondContact O-N 2.98Å; E326-L328 PolarHBondContact O-N 3.47Å; L328-L330 HydrophobicContact CB-CB 4.35Å; L328-L330 HydrophobicContact CB-CD1 3.86Å; L328-L330 HydrophobicContact CB-CG 3.85Å; L328-L330 HydrophobicContact CD1-CD1 4.23Å; L328-L330 PolarHBondContact O-N 2.67Å; L328-A364 HydrophobicContact CD1-CB 3.81Å; L328-A364 HydrophobicContact CD2-CB 3.8Å; L328-A364 HydrophobicContact CG-CB 4.42Å; L328-L367 HydrophobicContact CD1-CD1 3.9Å; L328-L367 HydrophobicContact CD1-CD2 4.15Å; L328-L367 HydrophobicContact CD1-CG 3.66Å
329N79.9Confident79.9Confident152 Ų15258.6 Ų58.681%0.81330%0.299SS*.THydrogen-bonded Turntrans56.333.5-168.8-56.7-86.8000113.2F325 E326F325-N329 PolarHBondContact O-N 3.11Å; E326-N329 PolarHBondContact O-N 2.9Å
330L78.4Confident78.4Confident39 Ų3958.3 Ų58.320%0.20430%0.297CS..  trans-110.7131.3-178.6-62.6178.3000110.8F325 L328 V362 L367F325-L330 CarbonylContact C-O 3.49Å; F325-L330 WeakPolarHBondContact CB-O 3.29Å; F325-L330 HydrophobicContact CD1-CB 4.22Å; F325-L330 PolarHBondContact O-N 2.88Å; L328-L330 HydrophobicContact CB-CB 4.35Å; L328-L330 HydrophobicContact CB-CD1 3.86Å; L328-L330 HydrophobicContact CB-CG 3.85Å; L328-L330 HydrophobicContact CD1-CD1 4.23Å; L328-L330 PolarHBondContact O-N 2.67Å; L330-V362 HydrophobicContact CD1-CB 3.82Å; L330-V362 HydrophobicContact CD1-CG1 3.9Å; L330-V362 HydrophobicContact CD1-CG2 3.95Å; L330-V362 HydrophobicContact CD2-CG1 3.7Å; L330-V362 HydrophobicContact CG-CG1 4.47Å; L330-L367 HydrophobicContact CD1-CD1 3.81Å
331H77.5Confident76.5Confident106 Ų10661.5 Ų61.549%0.49131%0.313SS..  trans-111.8129.4171.9-178.1-113000110.3Y333 D334H331-Y333 VanDerWaalsContact CE1-CB 3.44Å; H331-Y333 WeakPolarHBondContact CE1-CB 3.29Å; H331-Y333 WeakPolarHBondContact ND1-CB 3.22Å; H331-Y333 PolarHBondContact O-N 2.83Å; H331-Y333 VanDerWaalsContact O-N 3.13Å; H331-D334 WeakPolarHBondContact CB-OD2 2.95Å; H331-D334 IonicContact CE1-OD2 3.69Å; H331-D334 IonicContact CG-OD2 3Å; H331-D334 IonicContact ND1-OD2 2.75Å; H331-D334 PolarHBondContact ND1-OD2 2.93Å; H331-D334 PolarHBondContact O-N 3.42Å
332P76.2Confident74.5Confident9 Ų962.6 Ų62.66%0.05832%0.32CS..THydrogen-bonded Turntrans-65.2-18.5-171.3-18.425.4000115.5K300 Y303 F325 D334K300-P332 VanDerWaalsContact CD-O 3.25Å; K300-P332 WeakPolarHBondContact CD-O 3.35Å; K300-P332 WeakPolarHBondContact CE-O 3.24Å; K300-P332 WeakPolarHBondContact CG-O 3.49Å; K300-P332 PolarHBondContact NZ-O 3.24Å; K300-P332 VanDerWaalsContact NZ-O 3.16Å; Y303-P332 HydrophobicContact CD1-CB 4.35Å; Y303-P332 HydrophobicContact CD1-CG 3.5Å; Y303-P332 HydrophobicContact CD2-CG 3.44Å; Y303-P332 VanDerWaalsContact CD2-CG 3.44Å; Y303-P332 HydrophobicContact CE1-CG 3.73Å; Y303-P332 HydrophobicContact CE2-CG 3.68Å; Y303-P332 HydrophobicContact CG-CB 4.21Å; Y303-P332 HydrophobicContact CG-CG 3.33Å; F325-P332 HydrophobicContact CD1-CG 3.69Å; F325-P332 HydrophobicContact CE1-CB 4.27Å; F325-P332 HydrophobicContact CE1-CG 3.74Å; F325-P332 HydrophobicContact CG-CG 4.48Å; P332-D334 VanDerWaalsContact C-N 3.29Å
333Y75.6Confident72.5Confident175 Ų17562 Ų6269%0.68632%0.321SS*.THydrogen-bonded Turntrans-63.2-42.7173.2-177.5-99.2000110.5K300 H331K300-Y333 PolarHBondContact NZ-O 2.81Å; H331-Y333 VanDerWaalsContact CE1-CB 3.44Å; H331-Y333 WeakPolarHBondContact CE1-CB 3.29Å; H331-Y333 WeakPolarHBondContact ND1-CB 3.22Å; H331-Y333 PolarHBondContact O-N 2.83Å; H331-Y333 VanDerWaalsContact O-N 3.13Å
334D76.9Confident70.2Confident100 Ų10062.9 Ų62.954%0.53534%0.337SS..THydrogen-bonded Turntrans-85.9-13.6-167.1-51.6-80.8000113.6H331 P332 T336H331-D334 WeakPolarHBondContact CB-OD2 2.95Å; H331-D334 IonicContact CE1-OD2 3.69Å; H331-D334 IonicContact CG-OD2 3Å; H331-D334 IonicContact ND1-OD2 2.75Å; H331-D334 PolarHBondContact ND1-OD2 2.93Å; H331-D334 PolarHBondContact O-N 3.42Å; P332-D334 VanDerWaalsContact C-N 3.29Å; D334-T336 PolarHBondContact O-N 2.65Å
335L78.1Confident68Low6 Ų664.7 Ų64.73%0.03136%0.355CS..  trans-59.3116.9170.8-64.6-177.8000111.2L296 I299 K300 F325 V362L296-L335 HydrophobicContact CD1-CB 3.73Å; I299-L335 HydrophobicContact CG2-CD1 3.99Å; K300-L335 WeakPolarHBondContact CE-O 3.41Å; K300-L335 PolarHBondContact NZ-O 3Å; F325-L335 HydrophobicContact CE1-CD1 4.01Å; L335-V362 HydrophobicContact CD2-CG2 3.7Å
336T71.9Confident65.8Low62 Ų6271.8 Ų71.838%0.3838%0.382SS..  trans-94.1-177.9168.4800000110.9D334 D338 S339D334-T336 PolarHBondContact O-N 2.65Å; T336-D338 VanDerWaalsContact C-N 3.29Å; T336-D338 WeakPolarHBondContact OG1-CB 3.38Å; T336-D338 PolarHBondContact OG1-N 2.84Å; T336-D338 VanDerWaalsContact OG1-N 3.08Å; T336-D338 PolarHBondContact OG1-OD2 3.28Å; T336-S339 PolarHBondContact N-OG 3.24Å; T336-S339 PolarHBondContact OG1-N 3.43Å; T336-S339 VanDerWaalsContact OG1-N 3.08Å; T336-S339 PolarHBondContact OG1-OG 3.04Å
337V64.8Low63.5Low41 Ų4171.9 Ų71.925%0.24838%0.383CS..SBendtrans-66.4-38.6169.8174.50000109.9Q292 L296 L340Q292-V337 HydrophobicContact CB-CG1 3.84Å; L296-V337 HydrophobicContact CD2-CG2 3.77Å; V337-L340 PolarHBondContact O-N 3.05Å
338D61.3Low61.4Low109 Ų10970.8 Ų70.858%0.58337%0.373SS*.G310 helixtrans-68.7-38178.4-33.7-74.4000111.7T336 L340 D341 H343T336-D338 VanDerWaalsContact C-N 3.29Å; T336-D338 WeakPolarHBondContact OG1-CB 3.38Å; T336-D338 PolarHBondContact OG1-N 2.84Å; T336-D338 VanDerWaalsContact OG1-N 3.08Å; T336-D338 PolarHBondContact OG1-OD2 3.28Å; D338-L340 PolarHBondContact O-N 3.38Å; D338-D341 PolarHBondContact O-N 2.72Å; D338-H343 IonicContact OD1-CE1 2.72Å
339S59.7Low59.6Low40 Ų4072.1 Ų72.128%0.2838%0.377SS..G310 helixtrans-56.5-24.5175.6-51.50000113.6T336 V362T336-S339 PolarHBondContact N-OG 3.24Å; T336-S339 PolarHBondContact OG1-N 3.43Å; T336-S339 VanDerWaalsContact OG1-N 3.08Å; T336-S339 PolarHBondContact OG1-OG 3.04Å; S339-V362 VanDerWaalsContact O-CA 3.25Å; S339-V362 WeakPolarHBondContact O-CA 3.19Å; S339-V362 WeakPolarHBondContact O-CG1 3.43Å; S339-V362 WeakPolarHBondContact O-CG2 3.37Å; S339-V362 PolarHBondContact O-N 3.49Å
340L58.8Low57.6Low1 Ų169.1 Ų69.11%0.00536%0.358CS..G310 helixtrans-80-13.3179-64.1178.1000113.5L295 L296 I299 V337 D338 V342 P361 V362L295-L340 HydrophobicContact CD2-CD1 4.38Å; L295-L340 HydrophobicContact CG-CD1 4.38Å; L296-L340 HydrophobicContact CB-CD1 3.79Å; L296-L340 HydrophobicContact CD1-CD1 3.94Å; L296-L340 HydrophobicContact CD1-CG 4.24Å; L296-L340 HydrophobicContact CG-CD1 4.43Å; I299-L340 HydrophobicContact CD1-CD2 3.98Å; V337-L340 PolarHBondContact O-N 3.05Å; D338-L340 PolarHBondContact O-N 3.38Å; L340-V342 HydrophobicContact CB-CG2 3.79Å; L340-V342 PolarHBondContact O-N 3.49Å; L340-P361 HydrophobicContact CD2-CB 3.77Å; L340-P361 WeakPolarHBondContact O-CA 3.23Å; L340-V362 HydrophobicContact CD2-CG2 4.2Å
341D53.9Low55.9Low91 Ų9172.3 Ų72.349%0.48737%0.368SS..  trans45.220.3-176-159.834.3000116.9D338 H343D338-D341 PolarHBondContact O-N 2.72Å; D341-H343 PolarHBondContact O-N 3.05Å
342V50.3Low54Low23 Ų2368.5 Ų68.514%0.13935%0.35CS..  trans-72.327.9173.4-73.90000112.4Q292 L295 L340 K358Q292-V342 HydrophobicContact CB-CG2 3.8Å; Q292-V342 HydrophobicContact CG-CB 4.36Å; Q292-V342 HydrophobicContact CG-CG2 3.51Å; Q292-V342 VanDerWaalsContact NE2-C 3.31Å; Q292-V342 PolarHBondContact NE2-O 3.04Å; L295-V342 HydrophobicContact CD2-CG1 4.42Å; L340-V342 HydrophobicContact CB-CG2 3.79Å; L340-V342 PolarHBondContact O-N 3.49Å; V342-K358 WeakPolarHBondContact CA-O 3.46Å; V342-K358 WeakPolarHBondContact CG1-O 3.26Å
343H47.6Very low52.2Low73 Ų7372 Ų7234%0.33837%0.368SS..  trans-88.7125.4-174.1-87.3108.9000112.7Q292 D338 D341 G345 K358Q292-H343 PolarHBondContact NE2-CD2 2.69Å; Q292-H343 VanDerWaalsContact NE2-CD2 3.33Å; Q292-H343 PolarHBondContact OE1-NE2 3.25Å; D338-H343 IonicContact OD1-CE1 2.72Å; D341-H343 PolarHBondContact O-N 3.05Å; H343-G345 PolarHBondContact O-N 3.17Å; H343-K358 WeakPolarHBondContact O-CD 3.44Å; H343-K358 WeakPolarHBondContact O-CE 3.27Å; H343-K358 PolarHBondContact O-NZ 3.3Å
344A42.7Very low50.8Low69 Ų6966.7 Ų66.757%0.5735%0.348SS*.  trans-7551.2174.600000112.4T348 F349A344-T348 HydrophobicContact CB-CG2 4.05Å; A344-F349 HydrophobicContact CB-CE1 4.24Å; A344-F349 HydrophobicContact CB-CZ 3.78Å; A344-F349 WeakPolarHBondContact O-CZ 3.43Å
345G39.8Very low49.2Very low38 Ų3863.7 Ų63.739%0.39233%0.331SS..  trans-73.2150.617800000113.6H343 Q347 T348 K358H343-G345 PolarHBondContact O-N 3.17Å; G345-Q347 CarbonylContact O-C 3.57Å; G345-Q347 PolarHBondContact O-N 3.03Å; G345-T348 PolarHBondContact O-N 3.11Å; G345-T348 VanDerWaalsContact O-N 3.1Å; G345-K358 PolarHBondContact O-NZ 2.01Å
346R39.4Very low47.7Very low151 Ų15165.4 Ų65.457%0.5734%0.34SS*.SBendtrans-33.4-31.7-165.9-74-173.2179.5-163.4-4.1118.6F37 D38 T348 F349F37-R346 PolarHBondContact O-NH1 2.96Å; F37-R346 VanDerWaalsContact O-NH1 3.11Å; F37-R346 PolarHBondContact O-NH2 3.07Å; D38-R346 IonicContact OD1-NH1 3.45Å; D38-R346 PolarHBondContact OD1-NH1 3.39Å; D38-R346 VanDerWaalsContact OD1-NH1 3.09Å; R346-T348 PolarHBondContact O-N 2.91Å; R346-F349 WeakPolarHBondContact O-CD2 3.29Å
347Q38.1Very low46.3Very low117 Ų11765.2 Ų65.255%0.54735%0.345SS..SBendtrans-80.958.8164.7-60.9-175.38.100109.3G345 K358G345-Q347 CarbonylContact O-C 3.57Å; G345-Q347 PolarHBondContact O-N 3.03Å; Q347-K358 PolarHBondContact O-NZ 2.71Å
348T40.3Very low45.6Very low40 Ų4065 Ų6525%0.24534%0.341CS..  trans-79.1-33.5-176.569.40000112.9A344 G345 R346A344-T348 HydrophobicContact CB-CG2 4.05Å; G345-T348 PolarHBondContact O-N 3.11Å; G345-T348 VanDerWaalsContact O-N 3.1Å; R346-T348 PolarHBondContact O-N 2.91Å
349F40.8Very low44.9Very low72 Ų7261.9 Ų61.932%0.31632%0.321SS..SBend-15534.3-116.6-43.6-74.4000110.7A344 R346 E555A344-F349 HydrophobicContact CB-CE1 4.24Å; A344-F349 HydrophobicContact CB-CZ 3.78Å; A344-F349 WeakPolarHBondContact O-CZ 3.43Å; R346-F349 WeakPolarHBondContact O-CD2 3.29Å; F349-E555 WeakPolarHBondContact CA-OE1 3.36Å; F349-E555 WeakPolarHBondContact CB-OE1 3.37Å; F349-E555 VanDerWaalsContact O-CG 3.29Å; F349-E555 WeakPolarHBondContact O-CG 3.46Å
350Q37.8Very low44.2Very low89 Ų8961.6 Ų61.642%0.41632%0.316SS..SBendtrans-158.6-2.4-169.5-62.3-177.9-42.900110.8
351R42.8Very low43.4Very low107 Ų10761.6 Ų61.640%0.40432%0.316SS..  trans-161.699.7-166.7-110.7-165.7-83.6-161.1-10.1113.2D353 K354 F355 D494R351-D353 VanDerWaalsContact C-N 3.25Å; R351-D353 WeakPolarHBondContact CB-OD1 3.42Å; R351-D353 WeakPolarHBondContact CD-OD1 3.29Å; R351-D353 WeakPolarHBondContact CG-OD1 3.22Å; R351-D353 PolarHBondContact O-N 3.27Å; R351-K354 HydrophobicContact CB-CB 4.11Å; R351-K354 HydrophobicContact CB-CD 4.35Å; R351-K354 HydrophobicContact CB-CG 4.27Å; R351-K354 PolarHBondContact O-N 2.98Å; R351-F355 PolarHBondContact O-N 3.12Å; R351-D494 VanDerWaalsContact CG-OD2 3.27Å; R351-D494 WeakPolarHBondContact CG-OD2 3.49Å
352F37.9Very low42.7Very low26 Ų2659.5 Ų59.511%0.11431%0.306CS..Hα-helixtrans-69.8-19.2-179.9-169.8-112.6000113.4F355 N356 P440 V492 D494F352-F355 HydrophobicContact CD2-CB 4.36Å; F352-F355 AromaticContact CD2-CD1 3.78Å; F352-F355 HydrophobicContact CD2-CD1 3.78Å; F352-F355 HydrophobicContact CD2-CE1 4.4Å; F352-F355 HydrophobicContact CD2-CG 4.28Å; F352-F355 AromaticContact CE2-CD1 3.74Å; F352-F355 HydrophobicContact CE2-CD1 3.74Å; F352-F355 AromaticContact CE2-CE1 3.99Å; F352-F355 HydrophobicContact CE2-CE1 3.99Å; F352-N356 WeakPolarHBondContact CD1-ND2 3.27Å; F352-N356 VanDerWaalsContact CE1-ND2 3.26Å; F352-N356 WeakPolarHBondContact CE1-ND2 3.34Å; F352-N356 WeakPolarHBondContact O-CB 3.12Å; F352-N356 PolarHBondContact O-N 2.79Å; F352-N356 PolarHBondContact O-ND2 2.98Å; F352-P440 HydrophobicContact CE1-CB 4.33Å; F352-P440 HydrophobicContact CE1-CG 4.48Å; F352-V492 HydrophobicContact CE1-CG2 4.04Å; F352-V492 HydrophobicContact CE2-CB 4.21Å; F352-V492 HydrophobicContact CE2-CG2 4.11Å; F352-V492 HydrophobicContact CZ-CB 4.18Å; F352-V492 HydrophobicContact CZ-CG2 3.6Å; F352-D494 HydrophobicContact CB-CB 4.27Å; F352-D494 VanDerWaalsContact CB-N 3.26Å
353D38.4Very low42.5Very low82 Ų8261.1 Ų61.144%0.43933%0.328SS..Hα-helixtrans-68.9-48.2169.766.6-30.2000111.4R351 F355 N356 A357R351-D353 VanDerWaalsContact C-N 3.25Å; R351-D353 WeakPolarHBondContact CB-OD1 3.42Å; R351-D353 WeakPolarHBondContact CD-OD1 3.29Å; R351-D353 WeakPolarHBondContact CG-OD1 3.22Å; R351-D353 PolarHBondContact O-N 3.27Å; D353-F355 VanDerWaalsContact C-N 3.35Å; D353-N356 WeakPolarHBondContact O-CB 3.29Å; D353-N356 PolarHBondContact O-N 3.37Å; D353-A357 PolarHBondContact O-N 3.23Å
354K44.8Very low42.9Very low63 Ų6358 Ų5827%0.27432%0.315SS..Hα-helixtrans-65.3-36.7172.7-74.1-173.3169.6-174.20112.1R351 A357 K358R351-K354 HydrophobicContact CB-CB 4.11Å; R351-K354 HydrophobicContact CB-CD 4.35Å; R351-K354 HydrophobicContact CB-CG 4.27Å; R351-K354 PolarHBondContact O-N 2.98Å; K354-A357 PolarHBondContact O-N 2.87Å; K354-K358 WeakPolarHBondContact O-CG 3.2Å; K354-K358 PolarHBondContact O-N 2.96Å
355F43.6Very low44Very low38 Ų3857.3 Ų57.317%0.16731%0.306CS..Hα-helixtrans-56.1-52.6169.7-176.9-95.2000110.2H285 R351 F352 D353 A357 K358 Y359H285-F355 HydrophobicContact CB-CZ 4.37Å; H285-F355 AromaticContact CD2-CZ 3.48Å; H285-F355 VanDerWaalsContact CD2-CZ 3.48Å; H285-F355 WeakPolarHBondContact CD2-CZ 3.32Å; H285-F355 AromaticContact CG-CZ 3.85Å; H285-F355 AromaticContact NE2-CZ 3.78Å; R351-F355 PolarHBondContact O-N 3.12Å; F352-F355 HydrophobicContact CD2-CB 4.36Å; F352-F355 AromaticContact CD2-CD1 3.78Å; F352-F355 HydrophobicContact CD2-CD1 3.78Å; F352-F355 HydrophobicContact CD2-CE1 4.4Å; F352-F355 HydrophobicContact CD2-CG 4.28Å; F352-F355 AromaticContact CE2-CD1 3.74Å; F352-F355 HydrophobicContact CE2-CD1 3.74Å; F352-F355 AromaticContact CE2-CE1 3.99Å; F352-F355 HydrophobicContact CE2-CE1 3.99Å; D353-F355 VanDerWaalsContact C-N 3.35Å; F355-A357 VanDerWaalsContact C-N 3.29Å; F355-A357 PolarHBondContact O-N 2.75Å; F355-K358 PolarHBondContact O-N 2.62Å; F355-K358 VanDerWaalsContact O-N 3.12Å; F355-Y359 HydrophobicContact CD1-CD2 4.06Å; F355-Y359 AromaticContact CD1-CE2 3.73Å; F355-Y359 HydrophobicContact CD1-CE2 3.73Å; F355-Y359 AromaticContact CD2-CE2 3.82Å; F355-Y359 HydrophobicContact CD2-CE2 3.82Å; F355-Y359 HydrophobicContact CE1-CD2 4Å; F355-Y359 AromaticContact CE1-CE2 3.47Å; F355-Y359 HydrophobicContact CE1-CE2 3.47Å; F355-Y359 VanDerWaalsContact CE1-CE2 3.47Å; F355-Y359 AromaticContact CE2-CE2 3.57Å; F355-Y359 HydrophobicContact CE2-CE2 3.57Å; F355-Y359 HydrophobicContact CG-CD2 4.45Å; F355-Y359 AromaticContact CG-CE2 3.88Å; F355-Y359 HydrophobicContact CG-CE2 3.88Å; F355-Y359 HydrophobicContact CZ-CD2 4.33Å; F355-Y359 AromaticContact CZ-CE2 3.38Å; F355-Y359 HydrophobicContact CZ-CE2 3.38Å; F355-Y359 AromaticContact CZ-CZ 3.93Å; F355-Y359 WeakPolarHBondContact O-CD2 3.41Å; F355-Y359 PolarHBondContact O-N 3.3Å
356N45.9Very low45.7Very low41 Ų4157.9 Ų57.922%0.21930%0.298CS..Hα-helixtrans-60.1-34.9175.8-87.7-81.1000113.7F352 D353 R368F352-N356 WeakPolarHBondContact CD1-ND2 3.27Å; F352-N356 VanDerWaalsContact CE1-ND2 3.26Å; F352-N356 WeakPolarHBondContact CE1-ND2 3.34Å; F352-N356 WeakPolarHBondContact O-CB 3.12Å; F352-N356 PolarHBondContact O-N 2.79Å; F352-N356 PolarHBondContact O-ND2 2.98Å; D353-N356 WeakPolarHBondContact O-CB 3.29Å; D353-N356 PolarHBondContact O-N 3.37Å; N356-R368 PolarHBondContact O-NH1 2.91Å; N356-R368 PolarHBondContact OD1-NH1 3.23Å; N356-R368 VanDerWaalsContact OD1-NH1 3.11Å; N356-R368 PolarHBondContact OD1-NH2 2.94Å
357A44Very low47.6Very low59 Ų5950.8 Ų50.849%0.48827%0.271SS..Hα-helixtrans-71.3-31.7175.100000113.3D353 K354 F355 Y359 N360D353-A357 PolarHBondContact O-N 3.23Å; K354-A357 PolarHBondContact O-N 2.87Å; F355-A357 VanDerWaalsContact C-N 3.29Å; F355-A357 PolarHBondContact O-N 2.75Å; A357-Y359 VanDerWaalsContact C-N 3.31Å; A357-Y359 PolarHBondContact O-N 2.72Å; A357-N360 WeakPolarHBondContact O-CB 3.14Å; A357-N360 PolarHBondContact O-N 3.37Å
358K48.8Very low49.5Very low37 Ų3746.9 Ų46.916%0.16125%0.252CS..Hα-helixtrans-72-21.6174.3-76.8175.4169.2-176.80113.8V342 H343 G345 Q347 K354 F355 N360V342-K358 WeakPolarHBondContact CA-O 3.46Å; V342-K358 WeakPolarHBondContact CG1-O 3.26Å; H343-K358 WeakPolarHBondContact O-CD 3.44Å; H343-K358 WeakPolarHBondContact O-CE 3.27Å; H343-K358 PolarHBondContact O-NZ 3.3Å; G345-K358 PolarHBondContact O-NZ 2.01Å; Q347-K358 PolarHBondContact O-NZ 2.71Å; K354-K358 WeakPolarHBondContact O-CG 3.2Å; K354-K358 PolarHBondContact O-N 2.96Å; F355-K358 PolarHBondContact O-N 2.62Å; F355-K358 VanDerWaalsContact O-N 3.12Å; K358-N360 PolarHBondContact O-N 3.04Å
359Y48Very low51.4Low43 Ų4348 Ų4817%0.16926%0.256CS..THydrogen-bonded Turntrans-8620166-61.3-71.9000112.6A287 A288 F355 A357 P361 R368 L372A287-Y359 WeakPolarHBondContact O-CD1 3.33Å; A288-Y359 HydrophobicContact CB-CE1 3.54Å; A288-Y359 WeakPolarHBondContact CB-OH 3.33Å; F355-Y359 HydrophobicContact CD1-CD2 4.06Å; F355-Y359 AromaticContact CD1-CE2 3.73Å; F355-Y359 HydrophobicContact CD1-CE2 3.73Å; F355-Y359 AromaticContact CD2-CE2 3.82Å; F355-Y359 HydrophobicContact CD2-CE2 3.82Å; F355-Y359 HydrophobicContact CE1-CD2 4Å; F355-Y359 AromaticContact CE1-CE2 3.47Å; F355-Y359 HydrophobicContact CE1-CE2 3.47Å; F355-Y359 VanDerWaalsContact CE1-CE2 3.47Å; F355-Y359 AromaticContact CE2-CE2 3.57Å; F355-Y359 HydrophobicContact CE2-CE2 3.57Å; F355-Y359 HydrophobicContact CG-CD2 4.45Å; F355-Y359 AromaticContact CG-CE2 3.88Å; F355-Y359 HydrophobicContact CG-CE2 3.88Å; F355-Y359 HydrophobicContact CZ-CD2 4.33Å; F355-Y359 AromaticContact CZ-CE2 3.38Å; F355-Y359 HydrophobicContact CZ-CE2 3.38Å; F355-Y359 AromaticContact CZ-CZ 3.93Å; F355-Y359 WeakPolarHBondContact O-CD2 3.41Å; F355-Y359 PolarHBondContact O-N 3.3Å; A357-Y359 VanDerWaalsContact C-N 3.31Å; A357-Y359 PolarHBondContact O-N 2.72Å; Y359-P361 WeakPolarHBondContact O-CD 3.36Å; Y359-R368 WeakPolarHBondContact O-CD 3.3Å; Y359-R368 WeakPolarHBondContact O-CG 3.41Å; Y359-R368 PolarHBondContact O-NE 2.75Å; Y359-R368 VanDerWaalsContact O-NE 3.08Å; Y359-L372 WeakPolarHBondContact O-CD1 3.23Å
360N44.3Very low53.6Low33 Ų3344.6 Ų44.618%0.17624%0.241CC..SBendtrans-103.583.4174.6-145.243.1000109A357 K358 V362 G363 A364 S365 R368A357-N360 WeakPolarHBondContact O-CB 3.14Å; A357-N360 PolarHBondContact O-N 3.37Å; K358-N360 PolarHBondContact O-N 3.04Å; N360-V362 PolarHBondContact O-N 3.08Å; N360-G363 PolarHBondContact ND2-O 2.92Å; N360-G363 WeakPolarHBondContact O-CA 3.24Å; N360-G363 PolarHBondContact O-N 3.07Å; N360-A364 PolarHBondContact OD1-O 3.16Å; N360-S365 PolarHBondContact ND2-N 3.24Å; N360-S365 VanDerWaalsContact OD1-CA 3.23Å; N360-S365 WeakPolarHBondContact OD1-CA 3.23Å; N360-S365 PolarHBondContact OD1-N 2.92Å; N360-R368 VanDerWaalsContact OD1-CB 3.26Å; N360-R368 WeakPolarHBondContact OD1-CB 3.31Å; N360-R368 WeakPolarHBondContact OD1-CD 3.47Å
361P41.5Very low56.1Low1 Ų140.3 Ų40.31%0.00622%0.221CC..G310 helixtrans-55.7126-173.220.6-32.5000111.5L340 Y359 G363 A364 L367L340-P361 HydrophobicContact CD2-CB 3.77Å; L340-P361 WeakPolarHBondContact O-CA 3.23Å; Y359-P361 WeakPolarHBondContact O-CD 3.36Å; P361-G363 PolarHBondContact O-N 2.84Å; P361-A364 PolarHBondContact O-N 3.46Å; P361-L367 HydrophobicContact CG-CB 3.83Å
362V39.2Very low58.2Low47 Ų4735.6 Ų35.629%0.28520%0.204SC..G310 helixtrans59.320.9-175.7-1450000114L330 L335 S339 L340 N360 A364 L367L330-V362 HydrophobicContact CD1-CB 3.82Å; L330-V362 HydrophobicContact CD1-CG1 3.9Å; L330-V362 HydrophobicContact CD1-CG2 3.95Å; L330-V362 HydrophobicContact CD2-CG1 3.7Å; L330-V362 HydrophobicContact CG-CG1 4.47Å; L335-V362 HydrophobicContact CD2-CG2 3.7Å; S339-V362 VanDerWaalsContact O-CA 3.25Å; S339-V362 WeakPolarHBondContact O-CA 3.19Å; S339-V362 WeakPolarHBondContact O-CG1 3.43Å; S339-V362 WeakPolarHBondContact O-CG2 3.37Å; S339-V362 PolarHBondContact O-N 3.49Å; L340-V362 HydrophobicContact CD2-CG2 4.2Å; N360-V362 PolarHBondContact O-N 3.08Å; V362-A364 PolarHBondContact O-N 2.95Å; V362-L367 HydrophobicContact CG2-CD1 4.32Å
363G46.3Very low60.5Low57 Ų5736.8 Ų36.859%0.58821%0.209SC*.G310 helixtrans74.84.7-176.600000115N360 P361N360-G363 PolarHBondContact ND2-O 2.92Å; N360-G363 WeakPolarHBondContact O-CA 3.24Å; N360-G363 PolarHBondContact O-N 3.07Å; P361-G363 PolarHBondContact O-N 2.84Å
364A56.9Low62.9Low8 Ų834.4 Ų34.47%0.06620%0.198CC..  trans-97.7115.3-175.800000112.7L328 N360 P361 V362 E366 L367 R368L328-A364 HydrophobicContact CD1-CB 3.81Å; L328-A364 HydrophobicContact CD2-CB 3.8Å; L328-A364 HydrophobicContact CG-CB 4.42Å; N360-A364 PolarHBondContact OD1-O 3.16Å; P361-A364 PolarHBondContact O-N 3.46Å; V362-A364 PolarHBondContact O-N 2.95Å; A364-E366 PolarHBondContact O-N 3.16Å; A364-L367 HydrophobicContact CB-CB 4.39Å; A364-L367 HydrophobicContact CB-CD1 4.3Å; A364-L367 HydrophobicContact CB-CG 4.23Å; A364-L367 PolarHBondContact O-N 2.68Å; A364-R368 PolarHBondContact O-N 3.19Å
365S66.1Low64.9Low54 Ų5436.7 Ų36.738%0.37821%0.209SC..Hα-helixtrans-52.3-35.1174.215.10000112.9N360 R368 D369N360-S365 PolarHBondContact ND2-N 3.24Å; N360-S365 VanDerWaalsContact OD1-CA 3.23Å; N360-S365 WeakPolarHBondContact OD1-CA 3.23Å; N360-S365 PolarHBondContact OD1-N 2.92Å; S365-R368 WeakPolarHBondContact O-CB 3.15Å; S365-R368 PolarHBondContact O-N 3.09Å; S365-D369 WeakPolarHBondContact O-CB 3.32Å; S365-D369 PolarHBondContact O-N 2.93Å
366E74.4Confident67.1Low50 Ų5036.3 Ų36.323%0.23421%0.209CC..Hα-helixtrans-72.2-36.8-172.7-56.966.5-147.300110.9L324 A364 L370L324-E366 HydrophobicContact CD1-CB 3.95Å; L324-E366 HydrophobicContact CD1-CG 4.46Å; A364-E366 PolarHBondContact O-N 3.16Å; E366-L370 VanDerWaalsContact O-CB 3.27Å; E366-L370 WeakPolarHBondContact O-CB 3.46Å; E366-L370 PolarHBondContact O-N 3.12Å
367L79.4Confident69.2Low2 Ų238.2 Ų38.21%0.0122%0.216CC..Hα-helixtrans-76.3-34.8174.3-66.4-179.3000111.8L324 F325 L328 L330 P361 V362 A364 Y371L324-L367 HydrophobicContact CD2-CD2 4.36Å; F325-L367 HydrophobicContact CD2-CD2 4.36Å; F325-L367 HydrophobicContact CE2-CD2 3.72Å; F325-L367 HydrophobicContact CZ-CD2 4.01Å; L328-L367 HydrophobicContact CD1-CD1 3.9Å; L328-L367 HydrophobicContact CD1-CD2 4.15Å; L328-L367 HydrophobicContact CD1-CG 3.66Å; L330-L367 HydrophobicContact CD1-CD1 3.81Å; P361-L367 HydrophobicContact CG-CB 3.83Å; V362-L367 HydrophobicContact CG2-CD1 4.32Å; A364-L367 HydrophobicContact CB-CB 4.39Å; A364-L367 HydrophobicContact CB-CD1 4.3Å; A364-L367 HydrophobicContact CB-CG 4.23Å; A364-L367 PolarHBondContact O-N 2.68Å; L367-Y371 HydrophobicContact CD2-CE2 4.27Å; L367-Y371 WeakPolarHBondContact O-CD2 3.21Å; L367-Y371 PolarHBondContact O-N 2.97Å; L367-Y371 VanDerWaalsContact O-N 3.08Å
368R78.5Confident71.5Confident36 Ų3636 Ų3614%0.13620%0.197CC..Hα-helixtrans-57.9-52.8169.7-178.2169.5-158.6-143.8-3.6110.8N356 Y359 N360 A364 S365 L370 Y371 L372N356-R368 PolarHBondContact O-NH1 2.91Å; N356-R368 PolarHBondContact OD1-NH1 3.23Å; N356-R368 VanDerWaalsContact OD1-NH1 3.11Å; N356-R368 PolarHBondContact OD1-NH2 2.94Å; Y359-R368 WeakPolarHBondContact O-CD 3.3Å; Y359-R368 WeakPolarHBondContact O-CG 3.41Å; Y359-R368 PolarHBondContact O-NE 2.75Å; Y359-R368 VanDerWaalsContact O-NE 3.08Å; N360-R368 VanDerWaalsContact OD1-CB 3.26Å; N360-R368 WeakPolarHBondContact OD1-CB 3.31Å; N360-R368 WeakPolarHBondContact OD1-CD 3.47Å; A364-R368 PolarHBondContact O-N 3.19Å; S365-R368 WeakPolarHBondContact O-CB 3.15Å; S365-R368 PolarHBondContact O-N 3.09Å; R368-L370 VanDerWaalsContact C-N 3.28Å; R368-L370 PolarHBondContact O-N 3.08Å; R368-Y371 PolarHBondContact O-N 3.34Å; R368-L372 HydrophobicContact CG-CB 4.41Å; R368-L372 HydrophobicContact CG-CD1 4.47Å; R368-L372 WeakPolarHBondContact O-CA 3.3Å; R368-L372 VanDerWaalsContact O-CB 3.3Å; R368-L372 WeakPolarHBondContact O-CB 3.4Å; R368-L372 PolarHBondContact O-N 3.32Å
369D80.1Confident73.6Confident62 Ų6236.5 Ų36.533%0.33221%0.205SC..Hα-helixtrans-70.8-27-174.8-71.2-13.1000111.9S365 K373 N376S365-D369 WeakPolarHBondContact O-CB 3.32Å; S365-D369 PolarHBondContact O-N 2.93Å; D369-K373 HydrophobicContact CB-CG 4.2Å; D369-K373 WeakPolarHBondContact OD1-CE 3.4Å; D369-K373 WeakPolarHBondContact OD1-CG 3.48Å; D369-N376 VanDerWaalsContact O-CB 3.27Å; D369-N376 WeakPolarHBondContact O-CB 3.24Å; D369-N376 PolarHBondContact O-ND2 3.02Å
370L87.8Confident75.8Confident1 Ų134.5 Ų34.51%0.00520%0.196CC..Hα-helixtrans-71.5-45.7172.8-178.953.9000113.9V311 L324 E366 R368 N376 I378 Y382V311-L370 HydrophobicContact CB-CD1 3.78Å; V311-L370 HydrophobicContact CB-CD2 3.95Å; V311-L370 HydrophobicContact CG1-CD1 4.26Å; V311-L370 HydrophobicContact CG1-CD2 4.48Å; V311-L370 HydrophobicContact CG2-CD2 3.9Å; L324-L370 HydrophobicContact CD2-CD2 3.87Å; E366-L370 VanDerWaalsContact O-CB 3.27Å; E366-L370 WeakPolarHBondContact O-CB 3.46Å; E366-L370 PolarHBondContact O-N 3.12Å; R368-L370 VanDerWaalsContact C-N 3.28Å; R368-L370 PolarHBondContact O-N 3.08Å; L370-N376 PolarHBondContact O-ND2 3.15Å; L370-I378 HydrophobicContact CD1-CD1 3.72Å; L370-I378 HydrophobicContact CD1-CG1 4.08Å; L370-Y382 HydrophobicContact CD1-CD2 3.82Å; L370-Y382 HydrophobicContact CD1-CE2 3.78Å; L370-Y382 HydrophobicContact CD2-CE2 4.34Å; L370-Y382 HydrophobicContact CG-CD2 3.97Å; L370-Y382 HydrophobicContact CG-CE2 4.08Å
371Y89.3Confident78.3Confident0 Ų035.9 Ų35.90%020%0.202CC..Hα-helixtrans-100.4-22.9-171.2-71.2-77.4000115F298 I299 S302 M321 L367 R368 Y382 F383 I386F298-Y371 HydrophobicContact CD1-CD1 4Å; F298-Y371 AromaticContact CD1-CE1 3.87Å; F298-Y371 HydrophobicContact CD1-CE1 3.87Å; F298-Y371 HydrophobicContact CE1-CD1 4.11Å; F298-Y371 AromaticContact CE1-CE1 3.95Å; F298-Y371 HydrophobicContact CE1-CE1 3.95Å; I299-Y371 HydrophobicContact CD1-CD2 4.48Å; I299-Y371 HydrophobicContact CG1-CD1 4.14Å; I299-Y371 HydrophobicContact CG1-CD2 4.09Å; I299-Y371 HydrophobicContact CG1-CE1 4.06Å; I299-Y371 HydrophobicContact CG1-CE2 4.01Å; I299-Y371 HydrophobicContact CG1-CG 4.17Å; I299-Y371 HydrophobicContact CG2-CE2 4.39Å; S302-Y371 WeakPolarHBondContact OG-CE1 3.24Å; S302-Y371 PolarHBondContact OG-OH 2.92Å; M321-Y371 WeakPolarHBondContact CE-OH 3.32Å; M321-Y371 PolarHBondContact SD-OH 3.16Å; M321-Y371 VanDerWaalsContact SD-OH 3.34Å; L367-Y371 HydrophobicContact CD2-CE2 4.27Å; L367-Y371 WeakPolarHBondContact O-CD2 3.21Å; L367-Y371 PolarHBondContact O-N 2.97Å; L367-Y371 VanDerWaalsContact O-N 3.08Å; R368-Y371 PolarHBondContact O-N 3.34Å; Y371-Y382 AromaticContact CD1-CD2 3.8Å; Y371-Y382 HydrophobicContact CD1-CD2 3.8Å; Y371-Y382 HydrophobicContact CD1-CG 4.18Å; Y371-Y382 AromaticContact CE1-CD2 3.49Å; Y371-Y382 HydrophobicContact CE1-CD2 3.49Å; Y371-Y382 VanDerWaalsContact CE1-CD2 3.49Å; Y371-Y382 HydrophobicContact CE1-CE2 4.05Å; Y371-Y382 HydrophobicContact CE1-CG 4.06Å; Y371-F383 WeakPolarHBondContact O-CA 3.31Å; Y371-F383 VanDerWaalsContact O-CB 3.32Å; Y371-F383 WeakPolarHBondContact O-CB 3.36Å; Y371-F383 WeakPolarHBondContact O-CD2 3.39Å; Y371-I386 HydrophobicContact CD1-CD1 4.43Å
372L87.6Confident80.8Confident7 Ų736.2 Ų36.24%0.03720%0.203CC..SBendtrans-124.416-165.6-50.7-178.9000114.1M290 L295 Y359 R368M290-L372 HydrophobicContact CE-CD2 3.29Å; L295-L372 HydrophobicContact CD1-CD2 4.22Å; L295-L372 HydrophobicContact CD2-CD2 4.45Å; Y359-L372 WeakPolarHBondContact O-CD1 3.23Å; R368-L372 HydrophobicContact CG-CB 4.41Å; R368-L372 HydrophobicContact CG-CD1 4.47Å; R368-L372 WeakPolarHBondContact O-CA 3.3Å; R368-L372 VanDerWaalsContact O-CB 3.3Å; R368-L372 WeakPolarHBondContact O-CB 3.4Å; R368-L372 PolarHBondContact O-N 3.32Å
373K85.7Confident83.5Confident51 Ų5134.2 Ų34.222%0.22219%0.191CC..  trans-123.1150.2176.5-67.4-72.6-170.9156.50112.2D369 E375 G380 F383 Y409D369-K373 HydrophobicContact CB-CG 4.2Å; D369-K373 WeakPolarHBondContact OD1-CE 3.4Å; D369-K373 WeakPolarHBondContact OD1-CG 3.48Å; K373-E375 WeakPolarHBondContact CB-O 3.48Å; K373-G380 WeakPolarHBondContact O-CA 3.5Å; K373-F383 WeakPolarHBondContact O-CB 2.99Å; K373-Y409 PolarHBondContact NZ-OH 3.47Å
374T89.1Confident85.9Confident33 Ų3331.5 Ų31.520%0.20216%0.163CC..SBendtrans-79.5-31.6172.455.10000112.2S379 G380 F383 L406 L419 W422T374-S379 CarbonylContact O-C 3.43Å; T374-G380 WeakPolarHBondContact O-CA 3.47Å; T374-F383 HydrophobicContact CG2-CD1 3.83Å; T374-F383 HydrophobicContact CG2-CE1 3.79Å; T374-L406 HydrophobicContact CG2-CD2 4.08Å; T374-L419 HydrophobicContact CG2-CD1 3.73Å; T374-W422 HydrophobicContact CG2-CD2 3.6Å; T374-W422 HydrophobicContact CG2-CE3 3.7Å; T374-W422 HydrophobicContact CG2-CG 4.21Å; T374-W422 HydrophobicContact CG2-CH2 3.91Å; T374-W422 HydrophobicContact CG2-CZ2 3.81Å; T374-W422 HydrophobicContact CG2-CZ3 3.86Å
375E87Confident87.8Confident111 Ų11133 Ų3352%0.51917%0.171SC..SBendtrans-107.5120.6171.3179.4173.5-162.500110.8K373 K418K373-E375 WeakPolarHBondContact CB-O 3.48Å; E375-K418 VanDerWaalsContact CD-CD 3.42Å; E375-K418 HydrophobicContact CG-CD 4.43Å; E375-K418 WeakPolarHBondContact OE1-CD 3.46Å; E375-K418 WeakPolarHBondContact OE1-CE 3.36Å; E375-K418 IonicContact OE1-NZ 3.87Å; E375-K418 PolarHBondContact OE1-NZ 2.93Å; E375-K418 WeakPolarHBondContact OE2-CD 3.42Å; E375-K418 IonicContact OE2-NZ 3.13Å; E375-K418 PolarHBondContact OE2-NZ 3.12Å
376N89.6Confident89.1Confident29 Ų2930.4 Ų30.416%0.15515%0.153CC..SBendtrans-160.4-176.1166.363.831000109.4D369 L370 I378 S379 G380D369-N376 VanDerWaalsContact O-CB 3.27Å; D369-N376 WeakPolarHBondContact O-CB 3.24Å; D369-N376 PolarHBondContact O-ND2 3.02Å; L370-N376 PolarHBondContact O-ND2 3.15Å; N376-I378 VanDerWaalsContact C-N 3.29Å; N376-I378 PolarHBondContact O-N 3.47Å; N376-I378 WeakPolarHBondContact OD1-CG1 3.19Å; N376-I378 PolarHBondContact OD1-N 3.07Å; N376-S379 PolarHBondContact O-N 2.9Å; N376-S379 PolarHBondContact OD1-N 2.94Å; N376-G380 PolarHBondContact OD1-N 3.49Å
377H90.1Very high90.2Very high81 Ų8128.1 Ų28.138%0.37514%0.142SC..THydrogen-bonded Turntrans-56.9-37.4-178.5-179.683.1000113.4V310 E318 S379V310-H377 VanDerWaalsContact CG1-NE2 3.31Å; V310-H377 WeakPolarHBondContact CG1-NE2 3.01Å; E318-H377 IonicContact OE1-CE1 2.62Å; H377-S379 VanDerWaalsContact C-N 3.26Å; H377-S379 PolarHBondContact O-N 3.35Å
378I92.9Very high91Very high14 Ų1431.9 Ų31.97%0.07216%0.159CC..THydrogen-bonded Turntrans-87.822.9174.666.5171.2000113.7V311 L370 N376 G380 E381 Y382V311-I378 HydrophobicContact CB-CG2 4.49Å; V311-I378 HydrophobicContact CG1-CG2 4.28Å; L370-I378 HydrophobicContact CD1-CD1 3.72Å; L370-I378 HydrophobicContact CD1-CG1 4.08Å; N376-I378 VanDerWaalsContact C-N 3.29Å; N376-I378 PolarHBondContact O-N 3.47Å; N376-I378 WeakPolarHBondContact OD1-CG1 3.19Å; N376-I378 PolarHBondContact OD1-N 3.07Å; I378-G380 PolarHBondContact O-N 2.93Å; I378-E381 HydrophobicContact CD1-CB 4.25Å; I378-E381 HydrophobicContact CG1-CB 4.41Å; I378-E381 WeakPolarHBondContact O-CB 3.43Å; I378-E381 PolarHBondContact O-N 3.13Å; I378-Y382 HydrophobicContact CD1-CD1 3.97Å; I378-Y382 HydrophobicContact CD1-CD2 3.43Å; I378-Y382 VanDerWaalsContact CD1-CD2 3.43Å; I378-Y382 HydrophobicContact CD1-CE1 3.98Å; I378-Y382 HydrophobicContact CD1-CE2 3.44Å; I378-Y382 VanDerWaalsContact CD1-CE2 3.44Å; I378-Y382 HydrophobicContact CD1-CG 3.68Å
379S92.8Very high91.8Very high47 Ų4732.6 Ų32.633%0.32916%0.164SC..THydrogen-bonded Turntrans54.131.7-177.6-500000114.5T374 N376 H377 E381 K425 H426T374-S379 CarbonylContact O-C 3.43Å; N376-S379 PolarHBondContact O-N 2.9Å; N376-S379 PolarHBondContact OD1-N 2.94Å; H377-S379 VanDerWaalsContact C-N 3.26Å; H377-S379 PolarHBondContact O-N 3.35Å; S379-E381 VanDerWaalsContact C-N 3.32Å; S379-E381 PolarHBondContact O-N 2.81Å; S379-K425 PolarHBondContact OG-NZ 2.92Å; S379-H426 PolarHBondContact O-NE2 3.24Å
380G93.6Very high92.6Very high0 Ų030.6 Ų30.60%015%0.153CC..THydrogen-bonded Turntrans69.420.8177.100000116K373 T374 N376 I378 Y382 F383 A384 W422K373-G380 WeakPolarHBondContact O-CA 3.5Å; T374-G380 WeakPolarHBondContact O-CA 3.47Å; N376-G380 PolarHBondContact OD1-N 3.49Å; I378-G380 PolarHBondContact O-N 2.93Å; G380-Y382 PolarHBondContact O-N 2.96Å; G380-F383 PolarHBondContact O-N 3.21Å; G380-A384 PolarHBondContact O-N 3.34Å; G380-W422 PolarHBondContact O-NE1 3.05Å
381E95.8Very high92.9Very high62 Ų6230.8 Ų30.829%0.2916%0.155SC..Hα-helixtrans-58.1-45.3-175.5-173.6-174.4113.500113.9R309 I378 S379 F383 A384 T385R309-E381 IonicContact CZ-OE1 3.7Å; R309-E381 VanDerWaalsContact CZ-OE1 3.31Å; R309-E381 IonicContact CZ-OE2 3.59Å; R309-E381 IonicContact NH1-OE1 3.75Å; R309-E381 PolarHBondContact NH1-OE1 3.29Å; R309-E381 IonicContact NH1-OE2 3.09Å; R309-E381 IonicContact NH2-OE1 3.33Å; R309-E381 PolarHBondContact NH2-OE1 3.16Å; R309-E381 IonicContact NH2-OE2 3.79Å; R309-E381 PolarHBondContact NH2-OE2 3.04Å; I378-E381 HydrophobicContact CD1-CB 4.25Å; I378-E381 HydrophobicContact CG1-CB 4.41Å; I378-E381 WeakPolarHBondContact O-CB 3.43Å; I378-E381 PolarHBondContact O-N 3.13Å; S379-E381 VanDerWaalsContact C-N 3.32Å; S379-E381 PolarHBondContact O-N 2.81Å; E381-F383 PolarHBondContact O-N 2.97Å; E381-A384 PolarHBondContact O-N 2.74Å; E381-T385 WeakPolarHBondContact O-CB 3.24Å; E381-T385 PolarHBondContact O-N 2.9Å; E381-T385 PolarHBondContact O-OG1 2.87Å
382Y94.8Very high93.2Very high8 Ų833.5 Ų33.53%0.03117%0.174CC..Hα-helixtrans-63.7-41.8178-64.6-25.2000112F298 D306 V311 M321 L370 Y371 I378 G380 T385 I386F298-Y382 AromaticContact CE1-CD1 4Å; F298-Y382 HydrophobicContact CE1-CD1 4Å; F298-Y382 AromaticContact CE1-CG 3.92Å; F298-Y382 HydrophobicContact CE1-CG 3.92Å; F298-Y382 HydrophobicContact CZ-CD1 4.17Å; F298-Y382 HydrophobicContact CZ-CG 4.38Å; D306-Y382 WeakPolarHBondContact CB-OH 3.29Å; D306-Y382 PolarHBondContact OD2-OH 2.91Å; D306-Y382 VanDerWaalsContact OD2-OH 3.09Å; V311-Y382 HydrophobicContact CG1-CE2 4.36Å; M321-Y382 HydrophobicContact CE-CE2 3.51Å; M321-Y382 WeakPolarHBondContact CE-OH 3.32Å; L370-Y382 HydrophobicContact CD1-CD2 3.82Å; L370-Y382 HydrophobicContact CD1-CE2 3.78Å; L370-Y382 HydrophobicContact CD2-CE2 4.34Å; L370-Y382 HydrophobicContact CG-CD2 3.97Å; L370-Y382 HydrophobicContact CG-CE2 4.08Å; Y371-Y382 AromaticContact CD1-CD2 3.8Å; Y371-Y382 HydrophobicContact CD1-CD2 3.8Å; Y371-Y382 HydrophobicContact CD1-CG 4.18Å; Y371-Y382 AromaticContact CE1-CD2 3.49Å; Y371-Y382 HydrophobicContact CE1-CD2 3.49Å; Y371-Y382 VanDerWaalsContact CE1-CD2 3.49Å; Y371-Y382 HydrophobicContact CE1-CE2 4.05Å; Y371-Y382 HydrophobicContact CE1-CG 4.06Å; I378-Y382 HydrophobicContact CD1-CD1 3.97Å; I378-Y382 HydrophobicContact CD1-CD2 3.43Å; I378-Y382 VanDerWaalsContact CD1-CD2 3.43Å; I378-Y382 HydrophobicContact CD1-CE1 3.98Å; I378-Y382 HydrophobicContact CD1-CE2 3.44Å; I378-Y382 VanDerWaalsContact CD1-CE2 3.44Å; I378-Y382 HydrophobicContact CD1-CG 3.68Å; G380-Y382 PolarHBondContact O-N 2.96Å; Y382-T385 PolarHBondContact O-N 3.1Å; Y382-T385 VanDerWaalsContact O-N 3.1Å; Y382-I386 WeakPolarHBondContact O-CG1 3.27Å; Y382-I386 PolarHBondContact O-N 3Å
383F95.2Very high93.5Very high5 Ų538 Ų382%0.02220%0.199CC..Hα-helixtrans-63.8-44178.5-173.8-134.1000111.4A286 A287 Y371 K373 T374 G380 E381 T385 I386 I387 L406 W422A286-F383 HydrophobicContact CB-CZ 3.86Å; A287-F383 HydrophobicContact CB-CZ 4.49Å; Y371-F383 WeakPolarHBondContact O-CA 3.31Å; Y371-F383 VanDerWaalsContact O-CB 3.32Å; Y371-F383 WeakPolarHBondContact O-CB 3.36Å; Y371-F383 WeakPolarHBondContact O-CD2 3.39Å; K373-F383 WeakPolarHBondContact O-CB 2.99Å; T374-F383 HydrophobicContact CG2-CD1 3.83Å; T374-F383 HydrophobicContact CG2-CE1 3.79Å; G380-F383 PolarHBondContact O-N 3.21Å; E381-F383 PolarHBondContact O-N 2.97Å; F383-T385 VanDerWaalsContact C-N 3.26Å; F383-T385 PolarHBondContact O-N 2.9Å; F383-I386 PolarHBondContact O-N 2.88Å; F383-I387 HydrophobicContact CD1-CD1 4.06Å; F383-I387 HydrophobicContact CD2-CD1 4.11Å; F383-I387 HydrophobicContact CD2-CG1 4.48Å; F383-I387 HydrophobicContact CE1-CD1 3.8Å; F383-I387 HydrophobicContact CE2-CD1 3.83Å; F383-I387 HydrophobicContact CE2-CG1 4.25Å; F383-I387 HydrophobicContact CG-CD1 4.22Å; F383-I387 HydrophobicContact CZ-CD1 3.68Å; F383-I387 WeakPolarHBondContact O-CG1 3.45Å; F383-I387 PolarHBondContact O-N 3.29Å; F383-L406 HydrophobicContact CE1-CD2 4.37Å; F383-W422 HydrophobicContact CD1-CH2 4.38Å; F383-W422 AromaticContact CD1-CZ2 3.74Å; F383-W422 HydrophobicContact CD1-CZ2 3.74Å; F383-W422 HydrophobicContact CE1-CH2 4.42Å; F383-W422 HydrophobicContact CE1-CZ2 4.22Å; F383-W422 HydrophobicContact CG-CZ2 4.49Å
384A96.8Very high93.9Very high0 Ų036.7 Ų36.70%019%0.194CC..Hα-helixtrans-60.8-33.6172.200000113G380 E381 K388 W422 H426 V428G380-A384 PolarHBondContact O-N 3.34Å; E381-A384 PolarHBondContact O-N 2.74Å; A384-K388 VanDerWaalsContact O-CE 3.23Å; A384-K388 WeakPolarHBondContact O-CE 3.32Å; A384-K388 WeakPolarHBondContact O-CG 3.4Å; A384-K388 PolarHBondContact O-N 2.96Å; A384-K388 VanDerWaalsContact O-N 3.08Å; A384-W422 HydrophobicContact CB-CZ2 3.89Å; A384-H426 HydrophobicContact CB-CB 3.51Å; A384-V428 HydrophobicContact CB-CG2 3.68Å
385T96.5Very high94.1Very high39 Ų3939.2 Ų39.224%0.23920%0.203CC..Hα-helixtrans-74.9-42178.8-53.10000111.8F298 E381 Y382 F383 I387 K388 E389F298-T385 HydrophobicContact CE2-CG2 3.81Å; F298-T385 HydrophobicContact CZ-CG2 4.1Å; E381-T385 WeakPolarHBondContact O-CB 3.24Å; E381-T385 PolarHBondContact O-N 2.9Å; E381-T385 PolarHBondContact O-OG1 2.87Å; Y382-T385 PolarHBondContact O-N 3.1Å; Y382-T385 VanDerWaalsContact O-N 3.1Å; F383-T385 VanDerWaalsContact C-N 3.26Å; F383-T385 PolarHBondContact O-N 2.9Å; T385-I387 VanDerWaalsContact C-N 3.33Å; T385-I387 PolarHBondContact O-N 2.71Å; T385-K388 PolarHBondContact O-N 3.38Å; T385-E389 PolarHBondContact O-N 2.91Å
386I95.3Very high94.4Very high0 Ų041.6 Ų41.60%021%0.214CC..Hα-helixtrans-58.7-45.5172.9-67.9162.9000110.4M290 L295 F298 Y371 Y382 F383 K388 E389 V390M290-I386 HydrophobicContact CB-CG2 3.86Å; M290-I386 HydrophobicContact CG-CG2 3.55Å; M290-I386 HydrophobicContact SD-CG2 3.64Å; L295-I386 HydrophobicContact CD1-CD1 4.04Å; F298-I386 HydrophobicContact CB-CG1 4.35Å; F298-I386 HydrophobicContact CD1-CD1 3.97Å; F298-I386 HydrophobicContact CD1-CG1 3.97Å; F298-I386 HydrophobicContact CD2-CD1 4.34Å; F298-I386 HydrophobicContact CD2-CG1 3.45Å; F298-I386 VanDerWaalsContact CD2-CG1 3.45Å; F298-I386 HydrophobicContact CE1-CD1 4.23Å; F298-I386 HydrophobicContact CE1-CG1 4.13Å; F298-I386 HydrophobicContact CE2-CG1 3.59Å; F298-I386 HydrophobicContact CG-CD1 4.05Å; F298-I386 HydrophobicContact CG-CG1 3.65Å; F298-I386 HydrophobicContact CZ-CG1 3.95Å; Y371-I386 HydrophobicContact CD1-CD1 4.43Å; Y382-I386 WeakPolarHBondContact O-CG1 3.27Å; Y382-I386 PolarHBondContact O-N 3Å; F383-I386 PolarHBondContact O-N 2.88Å; I386-K388 VanDerWaalsContact C-N 3.34Å; I386-K388 PolarHBondContact O-N 3.05Å; I386-E389 PolarHBondContact O-N 3.3Å; I386-V390 PolarHBondContact O-N 2.84Å
387I96.3Very high94.5Very high3 Ų341.7 Ų41.72%0.01522%0.219CC..Hα-helixtrans-61.4-40.8176.5-71.7165.4000111.5F383 T385 V390 A391 W422 V428 L433 W435F383-I387 HydrophobicContact CD1-CD1 4.06Å; F383-I387 HydrophobicContact CD2-CD1 4.11Å; F383-I387 HydrophobicContact CD2-CG1 4.48Å; F383-I387 HydrophobicContact CE1-CD1 3.8Å; F383-I387 HydrophobicContact CE2-CD1 3.83Å; F383-I387 HydrophobicContact CE2-CG1 4.25Å; F383-I387 HydrophobicContact CG-CD1 4.22Å; F383-I387 HydrophobicContact CZ-CD1 3.68Å; F383-I387 WeakPolarHBondContact O-CG1 3.45Å; F383-I387 PolarHBondContact O-N 3.29Å; T385-I387 VanDerWaalsContact C-N 3.33Å; T385-I387 PolarHBondContact O-N 2.71Å; I387-V390 PolarHBondContact O-N 2.78Å; I387-A391 WeakPolarHBondContact O-CB 3.23Å; I387-A391 PolarHBondContact O-N 3.39Å; I387-W422 HydrophobicContact CD1-CH2 3.71Å; I387-W422 HydrophobicContact CD1-CZ2 3.94Å; I387-V428 HydrophobicContact CB-CG1 4.13Å; I387-V428 HydrophobicContact CG2-CG1 3.49Å; I387-V428 VanDerWaalsContact CG2-CG1 3.49Å; I387-L433 HydrophobicContact CG2-CD1 4.29Å; I387-W435 HydrophobicContact CD1-CH2 4.18Å; I387-W435 HydrophobicContact CG2-CH2 3.86Å; I387-W435 HydrophobicContact CG2-CZ2 4.15Å
388K96.8Very high94.3Very high81 Ų8144 Ų4435%0.35223%0.228SC..Hα-helixtrans-68.6-32.6176.8-75.8179.2-64.1-173.30113.1A384 T385 I386 A391 S392 H426A384-K388 VanDerWaalsContact O-CE 3.23Å; A384-K388 WeakPolarHBondContact O-CE 3.32Å; A384-K388 WeakPolarHBondContact O-CG 3.4Å; A384-K388 PolarHBondContact O-N 2.96Å; A384-K388 VanDerWaalsContact O-N 3.08Å; T385-K388 PolarHBondContact O-N 3.38Å; I386-K388 VanDerWaalsContact C-N 3.34Å; I386-K388 PolarHBondContact O-N 3.05Å; K388-A391 PolarHBondContact O-N 2.99Å; K388-S392 PolarHBondContact O-N 3.44Å; K388-H426 PolarHBondContact NZ-O 2.82Å
389E95.9Very high94.3Very high51 Ų5145.8 Ų45.824%0.23823%0.234CC..Hα-helixtrans-64.7-45.5170.5-71.6179.4-171.100110.9H294 R301 T385 I386 A391 S392 D393H294-E389 IonicContact CD2-OE2 2.68Å; H294-E389 IonicContact CE1-OE2 3.82Å; H294-E389 IonicContact NE2-OE2 3.12Å; H294-E389 PolarHBondContact NE2-OE2 2.82Å; R301-E389 IonicContact CZ-OE1 2.65Å; R301-E389 IonicContact NH1-OE1 3.93Å; R301-E389 PolarHBondContact NH1-OE1 3.1Å; R301-E389 IonicContact NH1-OE2 2.75Å; R301-E389 IonicContact NH2-OE1 2.78Å; R301-E389 PolarHBondContact NH2-OE1 3.15Å; T385-E389 PolarHBondContact O-N 2.91Å; I386-E389 PolarHBondContact O-N 3.3Å; E389-A391 VanDerWaalsContact C-N 3.33Å; E389-A391 PolarHBondContact O-N 3.16Å; E389-S392 WeakPolarHBondContact O-CB 3.28Å; E389-S392 PolarHBondContact O-N 2.87Å; E389-D393 PolarHBondContact O-N 2.87Å
390V95.2Very high94.3Very high19 Ų1948.2 Ų48.212%0.11524%0.24CC..Hα-helixtrans-63.6-36.31741750000112.5M290 I386 I387 D393 L394M290-V390 HydrophobicContact CB-CG2 3.65Å; I386-V390 PolarHBondContact O-N 2.84Å; I387-V390 PolarHBondContact O-N 2.78Å; V390-D393 PolarHBondContact O-N 2.8Å; V390-L394 HydrophobicContact CG1-CD1 4.2Å; V390-L394 WeakPolarHBondContact O-CG 3.5Å; V390-L394 PolarHBondContact O-N 3.03Å; V390-L394 VanDerWaalsContact O-N 3.1Å
391A95.1Very high94.4Very high5 Ų552.1 Ų52.14%0.04126%0.256CS..Hα-helixtrans-64.6-41176.500000112.1I387 K388 E389 L394 E395 L433I387-A391 WeakPolarHBondContact O-CB 3.23Å; I387-A391 PolarHBondContact O-N 3.39Å; K388-A391 PolarHBondContact O-N 2.99Å; E389-A391 VanDerWaalsContact C-N 3.33Å; E389-A391 PolarHBondContact O-N 3.16Å; A391-L394 PolarHBondContact O-N 3.26Å; A391-E395 WeakPolarHBondContact O-CG 3.37Å; A391-E395 PolarHBondContact O-N 3.1Å; A391-L433 HydrophobicContact CB-CD1 3.83Å
392S95.8Very high94.4Very high58 Ų5849.7 Ų49.741%0.40625%0.247SC..Hα-helixtrans-60.3-46.1174.6-163.50000111.4K388 E389 L394 E395 E396K388-S392 PolarHBondContact O-N 3.44Å; E389-S392 WeakPolarHBondContact O-CB 3.28Å; E389-S392 PolarHBondContact O-N 2.87Å; S392-L394 VanDerWaalsContact C-N 3.26Å; S392-L394 PolarHBondContact O-N 3.27Å; S392-E395 PolarHBondContact O-N 3.41Å; S392-E396 PolarHBondContact O-N 2.97Å
393D94.1Very high94.5Very high102 Ų10250.2 Ų50.255%0.54525%0.249SC..Hα-helixtrans-58.7-37175.6-72.5-3.4000111.6E389 V390 A397E389-D393 PolarHBondContact O-N 2.87Å; V390-D393 PolarHBondContact O-N 2.8Å; D393-A397 WeakPolarHBondContact O-CB 3.35Å; D393-A397 PolarHBondContact O-N 2.87Å; D393-A397 VanDerWaalsContact O-N 3.07Å
394L93.8Very high94.5Very high23 Ų2350.1 Ų50.112%0.1225%0.249CC..Hα-helixtrans-74.3-36.3177.4-73.1169.3000113.5V390 A391 S392 A397 K398 Q400 A402 N432 L433V390-L394 HydrophobicContact CG1-CD1 4.2Å; V390-L394 WeakPolarHBondContact O-CG 3.5Å; V390-L394 PolarHBondContact O-N 3.03Å; V390-L394 VanDerWaalsContact O-N 3.1Å; A391-L394 PolarHBondContact O-N 3.26Å; S392-L394 VanDerWaalsContact C-N 3.26Å; S392-L394 PolarHBondContact O-N 3.27Å; L394-A397 CarbonylContact O-C 3.56Å; L394-A397 VanDerWaalsContact O-C 3.25Å; L394-A397 WeakPolarHBondContact O-CA 3.43Å; L394-A397 PolarHBondContact O-N 2.92Å; L394-K398 PolarHBondContact O-N 3.05Å; L394-Q400 HydrophobicContact CD2-CB 3.75Å; L394-A402 HydrophobicContact CD1-CB 4.05Å; L394-N432 HydrophobicContact CB-CB 4.21Å; L394-N432 PolarHBondContact O-ND2 2.88Å; L394-L433 HydrophobicContact CD1-CD2 3.61Å; L394-L433 HydrophobicContact CD1-CG 4.46Å
395E93.6Very high94.5Very high86 Ų8650.4 Ų50.440%0.40225%0.25SS..Hα-helixtrans-68.2-44.5176.4-76.7171.8-14200111.6A391 S392 A397 K398 S430 P431 N432A391-E395 WeakPolarHBondContact O-CG 3.37Å; A391-E395 PolarHBondContact O-N 3.1Å; S392-E395 PolarHBondContact O-N 3.41Å; E395-A397 PolarHBondContact O-N 2.88Å; E395-K398 PolarHBondContact O-N 2.73Å; E395-S430 WeakPolarHBondContact OE1-CB 3.49Å; E395-S430 PolarHBondContact OE1-OG 2.84Å; E395-P431 HydrophobicContact CG-CG 4.27Å; E395-N432 HydrophobicContact CG-CB 4.37Å
396E93.4Very high94.4Very high160 Ų16048.8 Ų48.875%0.74824%0.24SC*.Hα-helixtrans-57.7-40.6168.4-72.3-172.4-161.800110.8S392 K398S392-E396 PolarHBondContact O-N 2.97Å; E396-K398 PolarHBondContact O-N 3.03Å; E396-K398 VanDerWaalsContact O-N 3.16Å
397A91.1Very high94.3Very high32 Ų3250.3 Ų50.326%0.26425%0.251SS..THydrogen-bonded Turntrans-80.522.317800000115.5D393 L394 E395 Y399 Q400D393-A397 WeakPolarHBondContact O-CB 3.35Å; D393-A397 PolarHBondContact O-N 2.87Å; D393-A397 VanDerWaalsContact O-N 3.07Å; L394-A397 CarbonylContact O-C 3.56Å; L394-A397 VanDerWaalsContact O-C 3.25Å; L394-A397 WeakPolarHBondContact O-CA 3.43Å; L394-A397 PolarHBondContact O-N 2.92Å; E395-A397 PolarHBondContact O-N 2.88Å; A397-Y399 PolarHBondContact O-N 3.09Å; A397-Q400 HydrophobicContact CB-CB 4.27Å; A397-Q400 HydrophobicContact CB-CG 4.24Å; A397-Q400 PolarHBondContact O-N 2.93Å
398K86.6Confident94.2Very high130 Ų13050.2 Ų50.257%0.56525%0.25SS*.THydrogen-bonded Turntrans26.3-46.3165.6-171.2172.9-175.1174.80121L394 E395 E396 Y401L394-K398 PolarHBondContact O-N 3.05Å; E395-K398 PolarHBondContact O-N 2.73Å; E396-K398 PolarHBondContact O-N 3.03Å; E396-K398 VanDerWaalsContact O-N 3.16Å; K398-Y401 PolarHBondContact O-OH 2.87Å
399Y91.3Very high93.9Very high50 Ų5049.3 Ų49.320%0.19625%0.245CC..THydrogen-bonded Turntrans-97.8-0.4179.9-50.5-61.8000113.3Y275 N276 R278 K279 A397Y275-Y399 WeakPolarHBondContact O-CD2 3.26Å; N276-Y399 HydrophobicContact CB-CE2 4.03Å; N276-Y399 WeakPolarHBondContact O-CD1 3.28Å; N276-Y399 WeakPolarHBondContact OD1-CE2 3.43Å; N276-Y399 VanDerWaalsContact OD1-CZ 3.28Å; N276-Y399 PolarHBondContact OD1-OH 3.34Å; R278-Y399 CarbonylContact C-O 3.54Å; R278-Y399 VanDerWaalsContact CA-O 3.31Å; R278-Y399 WeakPolarHBondContact CA-O 3.41Å; R278-Y399 HydrophobicContact CG-CD1 4.34Å; R278-Y399 VanDerWaalsContact NH1-CE1 3.26Å; K279-Y399 PolarHBondContact N-O 3.05Å; A397-Y399 PolarHBondContact O-N 3.09Å
400Q94Very high93.7Very high98 Ų9846.9 Ų46.946%0.45823%0.234SC..EExtended strand (participates in β ladder)trans-104.8129.4177.2-60.1-169.465.300111L394 A397 N432L394-Q400 HydrophobicContact CD2-CB 3.75Å; A397-Q400 HydrophobicContact CB-CB 4.27Å; A397-Q400 HydrophobicContact CB-CG 4.24Å; A397-Q400 PolarHBondContact O-N 2.93Å; Q400-N432 PolarHBondContact O-ND2 2.82Å
401Y95.7Very high93.4Very high82 Ų8247.9 Ų47.932%0.32224%0.241SC..EExtended strand (participates in β ladder)trans-130.8153.4180-61.2-100.7000108.2R278 K279 V280 D281 K398 N432R278-Y401 HydrophobicContact CG-CE2 4.27Å; K279-Y401 PolarHBondContact O-N 3.17Å; V280-Y401 CarbonylContact C-O 3.46Å; V280-Y401 WeakPolarHBondContact CA-O 3.48Å; D281-Y401 PolarHBondContact N-O 3.24Å; K398-Y401 PolarHBondContact O-OH 2.87Å; Y401-N432 WeakPolarHBondContact CA-O 3.28Å; Y401-N432 HydrophobicContact CD1-CB 4.19Å; Y401-N432 HydrophobicContact CE1-CB 4.44Å
402A96.1Very high93.2Very high12 Ų1250.8 Ų50.810%0.09926%0.256CS..EExtended strand (participates in β ladder)trans-142.2153177.400000112.5D281 I284 L394 P404 N432 L433 K434D281-A402 HydrophobicContact CB-CB 4.2Å; D281-A402 CarbonylContact O-C 3.15Å; I284-A402 HydrophobicContact CG2-CB 4.36Å; L394-A402 HydrophobicContact CD1-CB 4.05Å; A402-P404 VanDerWaalsContact O-CD 3.31Å; A402-P404 WeakPolarHBondContact O-CD 3.45Å; A402-N432 PolarHBondContact N-O 3.41Å; A402-L433 HydrophobicContact CB-CD2 3.8Å; A402-L433 WeakPolarHBondContact O-CA 3.19Å; A402-K434 PolarHBondContact O-N 2.98Å; A402-K434 VanDerWaalsContact O-N 3.16Å
403E96.1Very high93Very high19 Ų1950.5 Ų50.59%0.08925%0.253CS..  trans-122.765.6-178.2-160.1175.2-149.500112.3D281 R405 K434 M436 T487 R550D281-E403 PolarHBondContact O-N 3.14Å; E403-R405 PolarHBondContact O-NH1 3.21Å; E403-K434 CarbonylContact C-O 3.59Å; E403-K434 VanDerWaalsContact CA-O 3.32Å; E403-K434 WeakPolarHBondContact CA-O 3.42Å; E403-K434 HydrophobicContact CG-CB 4.41Å; E403-M436 HydrophobicContact CG-CB 4.16Å; E403-T487 VanDerWaalsContact OE1-CB 3.29Å; E403-T487 WeakPolarHBondContact OE1-CB 3.46Å; E403-T487 PolarHBondContact OE1-OG1 3.2Å; E403-R550 VanDerWaalsContact CD-NH2 3.26Å; E403-R550 IonicContact OE1-CZ 3.73Å; E403-R550 IonicContact OE1-NH1 2.73Å; E403-R550 IonicContact OE1-NH2 3.65Å; E403-R550 PolarHBondContact OE1-NH2 3.46Å; E403-R550 IonicContact OE2-CZ 3.55Å; E403-R550 IonicContact OE2-NH1 2.98Å; E403-R550 PolarHBondContact OE2-NH1 2.77Å; E403-R550 IonicContact OE2-NH2 3.63Å; E403-R550 PolarHBondContact OE2-NH2 3.16Å
404P96.2Very high92.9Very high3 Ų350.7 Ų50.72%0.01925%0.254CS..  trans-60.5133.9-177.722.5-34.4000114.3I284 A286 A402 L433 K434 W435 M436I284-P404 HydrophobicContact CG2-CB 4.18Å; I284-P404 WeakPolarHBondContact O-CA 3.39Å; A286-P404 HydrophobicContact CB-CB 4.05Å; A402-P404 VanDerWaalsContact O-CD 3.31Å; A402-P404 WeakPolarHBondContact O-CD 3.45Å; P404-L433 HydrophobicContact CG-CD2 4.21Å; P404-K434 VanDerWaalsContact CD-O 3.27Å; P404-K434 WeakPolarHBondContact CD-O 3.49Å; P404-W435 HydrophobicContact CB-CE3 4.15Å; P404-W435 HydrophobicContact CB-CH2 4.35Å; P404-W435 HydrophobicContact CB-CZ3 3.69Å; P404-W435 HydrophobicContact CG-CD2 4.37Å; P404-W435 HydrophobicContact CG-CE3 3.74Å; P404-W435 HydrophobicContact CG-CH2 3.76Å; P404-W435 HydrophobicContact CG-CZ2 4.37Å; P404-W435 HydrophobicContact CG-CZ3 3.42Å; P404-W435 VanDerWaalsContact CG-CZ3 3.42Å; P404-M436 PolarHBondContact O-N 2.95Å
405R95.4Very high93Very high5 Ų550.7 Ų50.72%0.01925%0.253CS..EExtended strand (participates in β ladder)trans-83.4129.4176.7-67.1154.1173.566.4-11.3112.9T282 I284 A286 E403 M436 Q438 D490 S573T282-R405 PolarHBondContact O-NH1 3.11Å; T282-R405 PolarHBondContact O-NH2 3.22Å; I284-R405 PolarHBondContact O-N 3.33Å; A286-R405 WeakPolarHBondContact CB-O 3.43Å; A286-R405 PolarHBondContact N-O 3.43Å; E403-R405 PolarHBondContact O-NH1 3.21Å; R405-M436 CarbonylContact C-O 3.45Å; R405-M436 VanDerWaalsContact CA-O 3.23Å; R405-M436 WeakPolarHBondContact CA-O 3.01Å; R405-M436 HydrophobicContact CG-CB 4.43Å; R405-M436 HydrophobicContact CG-CE 4.14Å; R405-M436 HydrophobicContact CG-SD 3.94Å; R405-Q438 HydrophobicContact CB-CB 4.2Å; R405-Q438 HydrophobicContact CB-CG 4.15Å; R405-Q438 VanDerWaalsContact CB-OE1 3.29Å; R405-D490 WeakPolarHBondContact CD-OD2 3.1Å; R405-D490 IonicContact CZ-OD2 3.2Å; R405-D490 IonicContact NE-OD2 2.7Å; R405-D490 PolarHBondContact NE-OD2 2.73Å; R405-D490 IonicContact NH2-OD2 2.76Å; R405-S573 PolarHBondContact NH2-OG 2.76Å; R405-S573 VanDerWaalsContact NH2-OG 3.1Å
406L95Very high93.1Very high6 Ų646.7 Ų46.73%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-111.2139171.5-72.5167.9000110.2A286 T374 F383 L419 W422 W435 M436 I437 Q438 F482A286-L406 HydrophobicContact CB-CD2 3.72Å; A286-L406 HydrophobicContact CB-CG 4.26Å; T374-L406 HydrophobicContact CG2-CD2 4.08Å; F383-L406 HydrophobicContact CE1-CD2 4.37Å; L406-L419 HydrophobicContact CB-CD1 4.48Å; L406-L419 HydrophobicContact CB-CD2 4.25Å; L406-L419 HydrophobicContact CD1-CD1 4.22Å; L406-L419 HydrophobicContact CD2-CD1 4.42Å; L406-W422 HydrophobicContact CD1-CZ3 4.07Å; L406-W422 HydrophobicContact CD2-CH2 4.41Å; L406-W422 HydrophobicContact CD2-CZ3 4.31Å; L406-W435 HydrophobicContact CD1-CD2 3.8Å; L406-W435 HydrophobicContact CD1-CE3 3.23Å; L406-W435 HydrophobicContact CD1-CG 4.41Å; L406-W435 HydrophobicContact CD1-CH2 4.47Å; L406-W435 HydrophobicContact CD1-CZ3 3.61Å; L406-W435 HydrophobicContact CD2-CE3 4.44Å; L406-W435 HydrophobicContact CD2-CZ3 4.1Å; L406-W435 HydrophobicContact CG-CE3 3.54Å; L406-W435 HydrophobicContact CG-CZ3 3.68Å; L406-M436 PolarHBondContact N-O 3.23Å; L406-I437 HydrophobicContact CB-CD1 4.44Å; L406-I437 WeakPolarHBondContact O-CA 3.25Å; L406-Q438 PolarHBondContact O-N 2.71Å; L406-F482 HydrophobicContact CD1-CE2 4.06Å; L406-F482 HydrophobicContact CD1-CZ 3.86Å
407S92.8Very high93.3Very high31 Ų3140.2 Ų40.222%0.21721%0.211CC..EExtended strand (participates in β ladder)trans-81134.8-177.9-60.80000113Q438S407-Q438 WeakPolarHBondContact CA-O 3.34Å; S407-Q438 PolarHBondContact OG-NE2 3.48Å
408I95.1Very high93.5Very high2 Ų242.8 Ų42.81%0.0122%0.216CC..  trans-118.2124.9151.5-67.9-69.1000106.9E415 W416 L419 I437 Q438 V439 P440 I462I408-E415 HydrophobicContact CD1-CB 4Å; I408-W416 HydrophobicContact CD1-CD2 3.84Å; I408-W416 HydrophobicContact CD1-CE3 4.09Å; I408-W416 HydrophobicContact CD1-CG 4.06Å; I408-W416 HydrophobicContact CG1-CD2 3.96Å; I408-W416 HydrophobicContact CG1-CE3 4.12Å; I408-W416 HydrophobicContact CG1-CH2 4.24Å; I408-W416 HydrophobicContact CG1-CZ2 4.03Å; I408-W416 HydrophobicContact CG1-CZ3 4.27Å; I408-L419 HydrophobicContact CD1-CB 4.34Å; I408-L419 HydrophobicContact CD1-CD2 3.69Å; I408-L419 HydrophobicContact CG1-CD2 4.06Å; I408-I437 HydrophobicContact CB-CG2 3.95Å; I408-I437 HydrophobicContact CG1-CG2 3.78Å; I408-Q438 PolarHBondContact N-O 2.94Å; I408-V439 WeakPolarHBondContact O-CA 3.26Å; I408-P440 WeakPolarHBondContact O-CD 3.48Å; I408-I462 HydrophobicContact CG2-CG1 4.3Å
409Y90.3Very high93.9Very high61 Ų6136.8 Ų36.824%0.23919%0.19CC..  trans-92.1-30.8-175-63.2-83.7000112.8K373 E415 P440 I442 F446 M458K373-Y409 PolarHBondContact NZ-OH 3.47Å; Y409-E415 WeakPolarHBondContact CA-OE2 3.46Å; Y409-E415 VanDerWaalsContact CB-OE2 3.32Å; Y409-E415 WeakPolarHBondContact CB-OE2 3.48Å; Y409-E415 PolarHBondContact N-OE2 2.96Å; Y409-P440 HydrophobicContact CD1-CB 4.19Å; Y409-P440 HydrophobicContact CD1-CG 3.72Å; Y409-P440 HydrophobicContact CE1-CB 4.45Å; Y409-P440 HydrophobicContact CE1-CG 3.8Å; Y409-I442 HydrophobicContact CD1-CD1 4.26Å; Y409-F446 AromaticContact CD1-CZ 3.93Å; Y409-F446 HydrophobicContact CD1-CZ 3.93Å; Y409-F446 HydrophobicContact CG-CZ 4.19Å; Y409-F446 WeakPolarHBondContact O-CE2 3.32Å; Y409-M458 WeakPolarHBondContact O-CE 3.4Å
410G91.6Very high94.2Very high0 Ų034.4 Ų34.40%018%0.181CC..SBendtrans78.415.7-179.300000114.5E415 M458 N461G410-E415 WeakPolarHBondContact CA-OE1 3.44Å; G410-E415 PolarHBondContact N-OE1 2.94Å; G410-E415 PolarHBondContact N-OE2 3.44Å; G410-M458 WeakPolarHBondContact O-CA 3.37Å; G410-N461 VanDerWaalsContact O-CB 3.29Å; G410-N461 WeakPolarHBondContact O-CB 3.19Å; G410-N461 PolarHBondContact O-ND2 2.9Å
411C88.9Confident94.3Very high41 Ų4131.7 Ų31.728%0.27717%0.172SC..SBendtrans-79.3-22.5171.770.10000112E415 F446 F451 N461C411-E415 PolarHBondContact N-OE1 3.24Å; C411-E415 PolarHBondContact SG-OE1 2.87Å; C411-E415 VanDerWaalsContact SG-OE1 3.38Å; C411-F446 HydrophobicContact CB-CD1 4.35Å; C411-F446 HydrophobicContact CB-CD2 4.27Å; C411-F446 HydrophobicContact CB-CE1 4.46Å; C411-F446 HydrophobicContact CB-CE2 4.38Å; C411-F446 HydrophobicContact CB-CG 4.26Å; C411-F446 HydrophobicContact CB-CZ 4.47Å; C411-F451 HydrophobicContact CB-CB 4.29Å; C411-N461 PolarHBondContact O-ND2 3.25Å
412N90.1Very high94.4Very high65 Ų6528 Ų2835%0.34816%0.158SC..  trans-145.3132.6179.4-169.3-56.4000111.5N414 E415N412-N414 PolarHBondContact O-N 3.11Å; N412-N414 VanDerWaalsContact O-N 3.14Å; N412-N414 VanDerWaalsContact OD1-CB 3.26Å; N412-N414 WeakPolarHBondContact OD1-CB 3.48Å; N412-N414 PolarHBondContact OD1-N 3.04Å; N412-E415 HydrophobicContact CB-CG 4.31Å; N412-E415 PolarHBondContact N-OE1 3.44Å; N412-E415 WeakPolarHBondContact O-CB 3.16Å; N412-E415 VanDerWaalsContact O-CG 3.25Å; N412-E415 WeakPolarHBondContact O-CG 3.45Å; N412-E415 PolarHBondContact O-N 2.79Å; N412-E415 VanDerWaalsContact O-N 3.16Å
413P91.1Very high94.5Very high53 Ų5327.5 Ų27.534%0.34415%0.153SC..THydrogen-bonded Turntrans-63.5-21.9-17927.7-35.8000113.5E415 N461 P465P413-E415 VanDerWaalsContact C-N 3.25Å; P413-E415 PolarHBondContact O-N 3.42Å; P413-N461 WeakPolarHBondContact CD-OD1 3.49Å; P413-P465 HydrophobicContact CB-CG 4.38Å
414N94Very high94.4Very high105 Ų10528 Ų2856%0.56116%0.157SC*.THydrogen-bonded Turntrans-75.7-9.1179.6-61.8-12000113.3N412 W416 G417 K418N412-N414 PolarHBondContact O-N 3.11Å; N412-N414 VanDerWaalsContact O-N 3.14Å; N412-N414 VanDerWaalsContact OD1-CB 3.26Å; N412-N414 WeakPolarHBondContact OD1-CB 3.48Å; N412-N414 PolarHBondContact OD1-N 3.04Å; N414-W416 VanDerWaalsContact C-N 3.27Å; N414-W416 PolarHBondContact O-N 3.49Å; N414-G417 PolarHBondContact O-N 3.38Å; N414-G417 VanDerWaalsContact O-N 3.07Å; N414-K418 WeakPolarHBondContact O-CG 3.32Å; N414-K418 PolarHBondContact O-N 3.34Å
415E94.2Very high94.4Very high24 Ų2433.9 Ų33.911%0.11218%0.183CC..Hα-helixtrans-52.8-44.2178.8-75.7175.7-117.900112.5I408 Y409 G410 C411 N412 P413 G417 K418 L419I408-E415 HydrophobicContact CD1-CB 4Å; Y409-E415 WeakPolarHBondContact CA-OE2 3.46Å; Y409-E415 VanDerWaalsContact CB-OE2 3.32Å; Y409-E415 WeakPolarHBondContact CB-OE2 3.48Å; Y409-E415 PolarHBondContact N-OE2 2.96Å; G410-E415 WeakPolarHBondContact CA-OE1 3.44Å; G410-E415 PolarHBondContact N-OE1 2.94Å; G410-E415 PolarHBondContact N-OE2 3.44Å; C411-E415 PolarHBondContact N-OE1 3.24Å; C411-E415 PolarHBondContact SG-OE1 2.87Å; C411-E415 VanDerWaalsContact SG-OE1 3.38Å; N412-E415 HydrophobicContact CB-CG 4.31Å; N412-E415 PolarHBondContact N-OE1 3.44Å; N412-E415 WeakPolarHBondContact O-CB 3.16Å; N412-E415 VanDerWaalsContact O-CG 3.25Å; N412-E415 WeakPolarHBondContact O-CG 3.45Å; N412-E415 PolarHBondContact O-N 2.79Å; N412-E415 VanDerWaalsContact O-N 3.16Å; P413-E415 VanDerWaalsContact C-N 3.25Å; P413-E415 PolarHBondContact O-N 3.42Å; E415-G417 PolarHBondContact O-N 2.99Å; E415-K418 PolarHBondContact O-N 3.34Å; E415-L419 WeakPolarHBondContact O-CB 3.49Å; E415-L419 PolarHBondContact O-N 3.45Å
416W96.9Very high94.5Very high1 Ų134.6 Ų34.60%0.00419%0.186CC..Hα-helixtrans-60.3-44176.4-78.2107.6000112.8I408 N414 L419 S420 I437 I462 P465 V466 L479 F482 L483 F489I408-W416 HydrophobicContact CD1-CD2 3.84Å; I408-W416 HydrophobicContact CD1-CE3 4.09Å; I408-W416 HydrophobicContact CD1-CG 4.06Å; I408-W416 HydrophobicContact CG1-CD2 3.96Å; I408-W416 HydrophobicContact CG1-CE3 4.12Å; I408-W416 HydrophobicContact CG1-CH2 4.24Å; I408-W416 HydrophobicContact CG1-CZ2 4.03Å; I408-W416 HydrophobicContact CG1-CZ3 4.27Å; N414-W416 VanDerWaalsContact C-N 3.27Å; N414-W416 PolarHBondContact O-N 3.49Å; W416-L419 PolarHBondContact O-N 3.48Å; W416-S420 WeakPolarHBondContact O-CB 3.39Å; W416-S420 PolarHBondContact O-N 3.31Å; W416-S420 PolarHBondContact O-OG 2.91Å; W416-I437 HydrophobicContact CH2-CB 4.31Å; W416-I437 HydrophobicContact CH2-CD1 4.24Å; W416-I437 HydrophobicContact CH2-CG1 3.84Å; W416-I437 HydrophobicContact CH2-CG2 3.86Å; W416-I437 HydrophobicContact CZ2-CG2 4.24Å; W416-I437 HydrophobicContact CZ3-CD1 4.04Å; W416-I437 HydrophobicContact CZ3-CG1 4.09Å; W416-I462 PolarHBondContact NE1-O 3.16Å; W416-P465 HydrophobicContact CB-CB 4.28Å; W416-P465 HydrophobicContact CG-CB 4.24Å; W416-V466 HydrophobicContact CD2-CG2 4.03Å; W416-V466 HydrophobicContact CE3-CG2 4.5Å; W416-V466 HydrophobicContact CH2-CG2 3.79Å; W416-V466 HydrophobicContact CZ2-CG2 3.26Å; W416-V466 HydrophobicContact CZ3-CG2 4.39Å; W416-L479 HydrophobicContact CB-CD1 4.03Å; W416-L479 HydrophobicContact CB-CD2 3.75Å; W416-L479 HydrophobicContact CD2-CD1 4.22Å; W416-L479 HydrophobicContact CE3-CD1 3.59Å; W416-L479 HydrophobicContact CG-CD1 4.47Å; W416-L479 HydrophobicContact CG-CD2 4.43Å; W416-L479 HydrophobicContact CZ3-CD1 4.33Å; W416-F482 HydrophobicContact CE3-CE1 4.4Å; W416-F482 HydrophobicContact CZ3-CD1 4.45Å; W416-F482 HydrophobicContact CZ3-CE1 4.12Å; W416-L483 HydrophobicContact CH2-CD2 4.3Å; W416-L483 HydrophobicContact CZ3-CD2 3.97Å; W416-F489 AromaticContact CH2-CE1 3.87Å; W416-F489 HydrophobicContact CH2-CE1 3.87Å; W416-F489 AromaticContact CH2-CZ 3.91Å; W416-F489 HydrophobicContact CH2-CZ 3.91Å; W416-F489 AromaticContact CZ2-CE1 3.82Å; W416-F489 HydrophobicContact CZ2-CE1 3.82Å; W416-F489 HydrophobicContact CZ2-CZ 4.02Å
417G96.1Very high94.5Very high24 Ų2440.1 Ų40.125%0.24721%0.207CC..Hα-helixtrans-62.9-42.9177.500000112N414 E415 S420 S421N414-G417 PolarHBondContact O-N 3.38Å; N414-G417 VanDerWaalsContact O-N 3.07Å; E415-G417 PolarHBondContact O-N 2.99Å; G417-S420 PolarHBondContact O-OG 3.3Å; G417-S421 WeakPolarHBondContact O-CB 3.49Å; G417-S421 PolarHBondContact O-N 3.13Å
418K95.3Very high94.7Very high87 Ų8738.8 Ų38.838%0.37820%0.197SC..Hα-helixtrans-63.8-43.5175.2-60.4-173.6-161.6-178.80112.2E375 N414 E415 S421 W422E375-K418 VanDerWaalsContact CD-CD 3.42Å; E375-K418 HydrophobicContact CG-CD 4.43Å; E375-K418 WeakPolarHBondContact OE1-CD 3.46Å; E375-K418 WeakPolarHBondContact OE1-CE 3.36Å; E375-K418 IonicContact OE1-NZ 3.87Å; E375-K418 PolarHBondContact OE1-NZ 2.93Å; E375-K418 WeakPolarHBondContact OE2-CD 3.42Å; E375-K418 IonicContact OE2-NZ 3.13Å; E375-K418 PolarHBondContact OE2-NZ 3.12Å; N414-K418 WeakPolarHBondContact O-CG 3.32Å; N414-K418 PolarHBondContact O-N 3.34Å; E415-K418 PolarHBondContact O-N 3.34Å; K418-S421 PolarHBondContact O-N 3.39Å; K418-W422 WeakPolarHBondContact O-CB 3.36Å; K418-W422 PolarHBondContact O-N 3.13Å
419L96.6Very high94.6Very high4 Ų440.8 Ų40.82%0.02121%0.206CC..Hα-helixtrans-66.9-43.7-178.8-175.162.6000111.9T374 L406 I408 E415 W416 W422 F423 I437 F482T374-L419 HydrophobicContact CG2-CD1 3.73Å; L406-L419 HydrophobicContact CB-CD1 4.48Å; L406-L419 HydrophobicContact CB-CD2 4.25Å; L406-L419 HydrophobicContact CD1-CD1 4.22Å; L406-L419 HydrophobicContact CD2-CD1 4.42Å; I408-L419 HydrophobicContact CD1-CB 4.34Å; I408-L419 HydrophobicContact CD1-CD2 3.69Å; I408-L419 HydrophobicContact CG1-CD2 4.06Å; E415-L419 WeakPolarHBondContact O-CB 3.49Å; E415-L419 PolarHBondContact O-N 3.45Å; W416-L419 PolarHBondContact O-N 3.48Å; L419-W422 HydrophobicContact CD1-CE3 4.16Å; L419-F423 WeakPolarHBondContact O-CB 3.43Å; L419-F423 PolarHBondContact O-N 2.87Å; L419-I437 HydrophobicContact CD2-CD1 4.26Å; L419-F482 HydrophobicContact CD2-CE1 3.7Å; L419-F482 HydrophobicContact CD2-CZ 3.91Å; L419-F482 HydrophobicContact CG-CE1 3.95Å; L419-F482 HydrophobicContact CG-CZ 4.08Å
420S97.1Very high94.8Very high0 Ų038 Ų380%020%0.195CC..Hα-helixtrans-68.9-38.7176.360.20000112.5W416 G417 F423 V424 L479W416-S420 WeakPolarHBondContact O-CB 3.39Å; W416-S420 PolarHBondContact O-N 3.31Å; W416-S420 PolarHBondContact O-OG 2.91Å; G417-S420 PolarHBondContact O-OG 3.3Å; S420-F423 WeakPolarHBondContact O-CB 3.5Å; S420-F423 PolarHBondContact O-N 3.18Å; S420-V424 WeakPolarHBondContact O-CG2 3.3Å; S420-V424 PolarHBondContact O-N 3Å; S420-L479 VanDerWaalsContact CB-CA 3.48Å; S420-L479 PolarHBondContact OG-N 3.2Å
421S96.7Very high94.8Very high40 Ų4041.2 Ų41.228%0.2822%0.216SC..Hα-helixtrans-64.7-42.4175.7-159.10000111.4G417 K418 F423 V424 K425 E478G417-S421 WeakPolarHBondContact O-CB 3.49Å; G417-S421 PolarHBondContact O-N 3.13Å; K418-S421 PolarHBondContact O-N 3.39Å; S421-F423 VanDerWaalsContact C-N 3.34Å; S421-F423 PolarHBondContact O-N 3.47Å; S421-V424 PolarHBondContact O-N 3.01Å; S421-K425 WeakPolarHBondContact O-CB 3.25Å; S421-K425 PolarHBondContact O-N 3.41Å; S421-E478 WeakPolarHBondContact CA-OE2 3.2Å; S421-E478 WeakPolarHBondContact CB-OE2 3.42Å; S421-E478 PolarHBondContact OG-OE1 2.81Å; S421-E478 PolarHBondContact OG-OE2 3.11Å
422W97.1Very high95Very high6 Ų640 Ų402%0.02321%0.207CC..Hα-helixtrans-55.7-46.9170.6168.688.3000112.3T374 G380 F383 A384 I387 L406 K418 L419 H426 V428T374-W422 HydrophobicContact CG2-CD2 3.6Å; T374-W422 HydrophobicContact CG2-CE3 3.7Å; T374-W422 HydrophobicContact CG2-CG 4.21Å; T374-W422 HydrophobicContact CG2-CH2 3.91Å; T374-W422 HydrophobicContact CG2-CZ2 3.81Å; T374-W422 HydrophobicContact CG2-CZ3 3.86Å; G380-W422 PolarHBondContact O-NE1 3.05Å; F383-W422 HydrophobicContact CD1-CH2 4.38Å; F383-W422 AromaticContact CD1-CZ2 3.74Å; F383-W422 HydrophobicContact CD1-CZ2 3.74Å; F383-W422 HydrophobicContact CE1-CH2 4.42Å; F383-W422 HydrophobicContact CE1-CZ2 4.22Å; F383-W422 HydrophobicContact CG-CZ2 4.49Å; A384-W422 HydrophobicContact CB-CZ2 3.89Å; I387-W422 HydrophobicContact CD1-CH2 3.71Å; I387-W422 HydrophobicContact CD1-CZ2 3.94Å; L406-W422 HydrophobicContact CD1-CZ3 4.07Å; L406-W422 HydrophobicContact CD2-CH2 4.41Å; L406-W422 HydrophobicContact CD2-CZ3 4.31Å; K418-W422 WeakPolarHBondContact O-CB 3.36Å; K418-W422 PolarHBondContact O-N 3.13Å; L419-W422 HydrophobicContact CD1-CE3 4.16Å; W422-H426 AromaticContact CD1-CD2 3.56Å; W422-H426 AromaticContact NE1-CD2 3.89Å; W422-H426 PolarHBondContact O-CD2 3.34Å; W422-H426 PolarHBondContact O-N 3.21Å; W422-V428 HydrophobicContact CH2-CB 4.31Å; W422-V428 HydrophobicContact CH2-CG1 3.89Å; W422-V428 HydrophobicContact CH2-CG2 4.12Å; W422-V428 HydrophobicContact CZ2-CG1 4.38Å; W422-V428 HydrophobicContact CZ2-CG2 4.14Å; W422-V428 HydrophobicContact CZ3-CB 4.43Å; W422-V428 HydrophobicContact CZ3-CG1 4.42Å; W422-V428 HydrophobicContact CZ3-CG2 4.31Å
423F97.1Very high95.3Very high0 Ų037.4 Ų37.40%019%0.193CC..Hα-helixtrans-61.9-46.2-179.8173.2-97.4000112.5L175 L419 S420 S421 R427 V428 W435 I481 F482 H485L175-F423 HydrophobicContact CD2-CD1 4.2Å; L175-F423 HydrophobicContact CD2-CE1 3.41Å; L175-F423 VanDerWaalsContact CD2-CE1 3.41Å; L175-F423 HydrophobicContact CD2-CZ 3.98Å; L419-F423 WeakPolarHBondContact O-CB 3.43Å; L419-F423 PolarHBondContact O-N 2.87Å; S420-F423 WeakPolarHBondContact O-CB 3.5Å; S420-F423 PolarHBondContact O-N 3.18Å; S421-F423 VanDerWaalsContact C-N 3.34Å; S421-F423 PolarHBondContact O-N 3.47Å; F423-R427 WeakPolarHBondContact O-CA 3.45Å; F423-R427 PolarHBondContact O-N 3.2Å; F423-V428 HydrophobicContact CD2-CB 4.07Å; F423-V428 WeakPolarHBondContact CE2-O 3.29Å; F423-V428 PolarHBondContact O-N 3.29Å; F423-W435 AromaticContact CE2-CD1 3.85Å; F423-W435 AromaticContact CE2-NE1 3.49Å; F423-I481 HydrophobicContact CE1-CG2 4.27Å; F423-F482 HydrophobicContact CB-CD2 3.93Å; F423-F482 HydrophobicContact CB-CE2 4.39Å; F423-F482 HydrophobicContact CD1-CB 3.96Å; F423-F482 AromaticContact CD1-CD2 3.67Å; F423-F482 HydrophobicContact CD1-CD2 3.67Å; F423-F482 HydrophobicContact CD1-CG 4.24Å; F423-F482 AromaticContact CD2-CD2 3.74Å; F423-F482 HydrophobicContact CD2-CD2 3.74Å; F423-F482 AromaticContact CD2-CE2 3.98Å; F423-F482 HydrophobicContact CD2-CE2 3.98Å; F423-F482 HydrophobicContact CE1-CB 4.39Å; F423-F482 HydrophobicContact CE1-CD2 4.05Å; F423-F482 HydrophobicContact CE2-CD2 4.12Å; F423-F482 HydrophobicContact CE2-CE2 4.44Å; F423-F482 AromaticContact CG-CD2 3.5Å; F423-F482 HydrophobicContact CG-CD2 3.5Å; F423-F482 VanDerWaalsContact CG-CD2 3.5Å; F423-F482 HydrophobicContact CG-CE2 4.11Å; F423-F482 HydrophobicContact CG-CG 4.33Å; F423-F482 HydrophobicContact CZ-CD2 4.27Å; F423-H485 AromaticContact CE1-CD2 3.76Å; F423-H485 HydrophobicContact CZ-CB 4.11Å; F423-H485 AromaticContact CZ-CD2 3.58Å; F423-H485 AromaticContact CZ-CG 3.95Å
424V96Very high95.5Very high29 Ų2937.5 Ų37.518%0.17619%0.188CC..Hα-helixtrans-74.4-50.2-179.9177.10000111.5S420 S421 H426 R427 E478 I481S420-V424 WeakPolarHBondContact O-CG2 3.3Å; S420-V424 PolarHBondContact O-N 3Å; S421-V424 PolarHBondContact O-N 3.01Å; V424-H426 VanDerWaalsContact C-N 3.31Å; V424-H426 PolarHBondContact O-N 2.81Å; V424-R427 WeakPolarHBondContact O-CG 3.15Å; V424-R427 PolarHBondContact O-N 3.1Å; V424-E478 HydrophobicContact CB-CG 4.38Å; V424-E478 HydrophobicContact CG2-CB 4.05Å; V424-E478 HydrophobicContact CG2-CG 4.31Å; V424-I481 HydrophobicContact CG2-CB 4.46Å; V424-I481 HydrophobicContact CG2-CG2 4.15Å
425K95.9Very high95.6Very high127 Ų12732.6 Ų32.655%0.55216%0.162SC*.Hα-helixtrans-54.2-43.6-178.2-180-179.1177.8175.80112.8S379 S421S379-K425 PolarHBondContact OG-NZ 2.92Å; S421-K425 WeakPolarHBondContact O-CB 3.25Å; S421-K425 PolarHBondContact O-N 3.41Å
426H96.7Very high95.7Very high20 Ų2031.4 Ų31.49%0.09316%0.156CC..THydrogen-bonded Turntrans-93.30.9179.5-62.9-63.4000113.7S379 A384 K388 W422 V424 V428S379-H426 PolarHBondContact O-NE2 3.24Å; A384-H426 HydrophobicContact CB-CB 3.51Å; K388-H426 PolarHBondContact NZ-O 2.82Å; W422-H426 AromaticContact CD1-CD2 3.56Å; W422-H426 AromaticContact NE1-CD2 3.89Å; W422-H426 PolarHBondContact O-CD2 3.34Å; W422-H426 PolarHBondContact O-N 3.21Å; V424-H426 VanDerWaalsContact C-N 3.31Å; V424-H426 PolarHBondContact O-N 2.81Å; H426-V428 HydrophobicContact CB-CG2 3.71Å
427R95.8Very high95.8Very high123 Ų12331.4 Ų31.446%0.46416%0.156SC..THydrogen-bonded Turntrans47.758.4-175.5-59.5-171.458.399.43.3112.7D173 L175 F423 V424 F429D173-R427 IonicContact OD1-CZ 2.66Å; D173-R427 IonicContact OD1-NH1 3.82Å; D173-R427 PolarHBondContact OD1-NH1 2.86Å; D173-R427 IonicContact OD1-NH2 3.99Å; D173-R427 PolarHBondContact OD1-NH2 3.23Å; D173-R427 IonicContact OD2-CZ 3.21Å; D173-R427 IonicContact OD2-NH1 2.89Å; D173-R427 PolarHBondContact OD2-NH1 3.23Å; D173-R427 IonicContact OD2-NH2 2.95Å; D173-R427 PolarHBondContact OD2-NH2 3.38Å; L175-R427 HydrophobicContact CD1-CB 3.81Å; L175-R427 HydrophobicContact CD1-CG 3.71Å; F423-R427 WeakPolarHBondContact O-CA 3.45Å; F423-R427 PolarHBondContact O-N 3.2Å; V424-R427 WeakPolarHBondContact O-CG 3.15Å; V424-R427 PolarHBondContact O-N 3.1Å; R427-F429 PolarHBondContact O-N 2.84Å
428V95.4Very high95.7Very high2 Ų230.9 Ų30.91%0.01215%0.147CC..  trans-82.752.2-173.7-159.70000111.9A384 I387 W422 F423 H426 W435A384-V428 HydrophobicContact CB-CG2 3.68Å; I387-V428 HydrophobicContact CB-CG1 4.13Å; I387-V428 HydrophobicContact CG2-CG1 3.49Å; I387-V428 VanDerWaalsContact CG2-CG1 3.49Å; W422-V428 HydrophobicContact CH2-CB 4.31Å; W422-V428 HydrophobicContact CH2-CG1 3.89Å; W422-V428 HydrophobicContact CH2-CG2 4.12Å; W422-V428 HydrophobicContact CZ2-CG1 4.38Å; W422-V428 HydrophobicContact CZ2-CG2 4.14Å; W422-V428 HydrophobicContact CZ3-CB 4.43Å; W422-V428 HydrophobicContact CZ3-CG1 4.42Å; W422-V428 HydrophobicContact CZ3-CG2 4.31Å; F423-V428 HydrophobicContact CD2-CB 4.07Å; F423-V428 WeakPolarHBondContact CE2-O 3.29Å; F423-V428 PolarHBondContact O-N 3.29Å; H426-V428 HydrophobicContact CB-CG2 3.71Å; V428-W435 HydrophobicContact CG1-CZ2 4.14Å
429F93.9Very high95.8Very high45 Ų4526.8 Ų26.820%0.19713%0.129CC..  trans-110.9148.4-177.4170.1-91000111.8P168 P174 R427 H485P168-F429 HydrophobicContact CG-CE2 4.49Å; P168-F429 HydrophobicContact CG-CZ 3.97Å; P174-F429 HydrophobicContact CB-CD1 3.82Å; P174-F429 HydrophobicContact CB-CD2 3.72Å; P174-F429 HydrophobicContact CB-CE1 3.79Å; P174-F429 HydrophobicContact CB-CE2 3.69Å; P174-F429 HydrophobicContact CB-CG 3.78Å; P174-F429 HydrophobicContact CB-CZ 3.73Å; P174-F429 HydrophobicContact CG-CB 4.5Å; P174-F429 HydrophobicContact CG-CD1 3.46Å; P174-F429 VanDerWaalsContact CG-CD1 3.46Å; P174-F429 HydrophobicContact CG-CD2 4.25Å; P174-F429 HydrophobicContact CG-CE1 3.65Å; P174-F429 HydrophobicContact CG-CE2 4.41Å; P174-F429 HydrophobicContact CG-CG 3.78Å; P174-F429 HydrophobicContact CG-CZ 4.13Å; R427-F429 PolarHBondContact O-N 2.84Å; F429-H485 AromaticContact CD2-CE1 3.4Å; F429-H485 WeakPolarHBondContact CD2-CE1 3.39Å; F429-H485 AromaticContact CD2-ND1 3.74Å; F429-H485 AromaticContact CE2-CE1 2.99Å; F429-H485 WeakPolarHBondContact CE2-CE1 3.43Å; F429-H485 AromaticContact CE2-ND1 3.66Å; F429-H485 AromaticContact CZ-CE1 3.94Å
430S93.7Very high95.5Very high1 Ų126.6 Ų26.61%0.00713%0.129CC..  trans-153.8144.9167.8170.40000109.2E395 N432 L433E395-S430 WeakPolarHBondContact OE1-CB 3.49Å; E395-S430 PolarHBondContact OE1-OG 2.84Å; S430-N432 PolarHBondContact O-N 3.45Å; S430-N432 PolarHBondContact OG-N 2.92Å; S430-N432 VanDerWaalsContact OG-N 3.13Å; S430-L433 PolarHBondContact O-N 3.28Å
431P92.4Very high95.2Very high69 Ų6927.1 Ų27.145%0.44813%0.131SC..THydrogen-bonded Turntrans-63.4-23.8170.427.6-35.4000113E395E395-P431 HydrophobicContact CG-CG 4.27Å
432N94.1Very high94.8Very high15 Ų1526.3 Ų26.38%0.0812%0.123CC..THydrogen-bonded Turntrans-89.5-5.4-178.8-71.347.4000113.2L394 E395 Q400 Y401 A402 S430L394-N432 HydrophobicContact CB-CB 4.21Å; L394-N432 PolarHBondContact O-ND2 2.88Å; E395-N432 HydrophobicContact CG-CB 4.37Å; Q400-N432 PolarHBondContact O-ND2 2.82Å; Y401-N432 WeakPolarHBondContact CA-O 3.28Å; Y401-N432 HydrophobicContact CD1-CB 4.19Å; Y401-N432 HydrophobicContact CE1-CB 4.44Å; A402-N432 PolarHBondContact N-O 3.41Å; S430-N432 PolarHBondContact O-N 3.45Å; S430-N432 PolarHBondContact OG-N 2.92Å; S430-N432 VanDerWaalsContact OG-N 3.13Å
433L94.6Very high94.4Very high10 Ų1026 Ų265%0.05212%0.122CC..BIsolated β-bridgetrans-113.9140.8178.3-65.1-177.9000112.7I387 A391 L394 A402 P404 S430 W435I387-L433 HydrophobicContact CG2-CD1 4.29Å; A391-L433 HydrophobicContact CB-CD1 3.83Å; L394-L433 HydrophobicContact CD1-CD2 3.61Å; L394-L433 HydrophobicContact CD1-CG 4.46Å; A402-L433 HydrophobicContact CB-CD2 3.8Å; A402-L433 WeakPolarHBondContact O-CA 3.19Å; P404-L433 HydrophobicContact CG-CD2 4.21Å; S430-L433 PolarHBondContact O-N 3.28Å; L433-W435 HydrophobicContact CD1-CZ2 4.35Å
434K95.1Very high93.9Very high55 Ų5528.3 Ų28.324%0.23913%0.134CC..  trans-130.9157.9164-69-63.6174.2-173.20110.5A402 E403 P404 T487A402-K434 PolarHBondContact O-N 2.98Å; A402-K434 VanDerWaalsContact O-N 3.16Å; E403-K434 CarbonylContact C-O 3.59Å; E403-K434 VanDerWaalsContact CA-O 3.32Å; E403-K434 WeakPolarHBondContact CA-O 3.42Å; E403-K434 HydrophobicContact CG-CB 4.41Å; P404-K434 VanDerWaalsContact CD-O 3.27Å; P404-K434 WeakPolarHBondContact CD-O 3.49Å; K434-T487 HydrophobicContact CB-CG2 3.74Å; K434-T487 HydrophobicContact CD-CG2 4.46Å; K434-T487 HydrophobicContact CG-CG2 4.12Å
435W96.9Very high93.4Very high2 Ų230.4 Ų30.41%0.00814%0.143CC..EExtended strand (participates in β ladder)trans-112.2144-170.5-62.799.2000111.6A286 I387 P404 L406 F423 V428 L433 F482 H485 V486 T487A286-W435 HydrophobicContact CB-CZ3 4.06Å; I387-W435 HydrophobicContact CD1-CH2 4.18Å; I387-W435 HydrophobicContact CG2-CH2 3.86Å; I387-W435 HydrophobicContact CG2-CZ2 4.15Å; P404-W435 HydrophobicContact CB-CE3 4.15Å; P404-W435 HydrophobicContact CB-CH2 4.35Å; P404-W435 HydrophobicContact CB-CZ3 3.69Å; P404-W435 HydrophobicContact CG-CD2 4.37Å; P404-W435 HydrophobicContact CG-CE3 3.74Å; P404-W435 HydrophobicContact CG-CH2 3.76Å; P404-W435 HydrophobicContact CG-CZ2 4.37Å; P404-W435 HydrophobicContact CG-CZ3 3.42Å; P404-W435 VanDerWaalsContact CG-CZ3 3.42Å; L406-W435 HydrophobicContact CD1-CD2 3.8Å; L406-W435 HydrophobicContact CD1-CE3 3.23Å; L406-W435 HydrophobicContact CD1-CG 4.41Å; L406-W435 HydrophobicContact CD1-CH2 4.47Å; L406-W435 HydrophobicContact CD1-CZ3 3.61Å; L406-W435 HydrophobicContact CD2-CE3 4.44Å; L406-W435 HydrophobicContact CD2-CZ3 4.1Å; L406-W435 HydrophobicContact CG-CE3 3.54Å; L406-W435 HydrophobicContact CG-CZ3 3.68Å; F423-W435 AromaticContact CE2-CD1 3.85Å; F423-W435 AromaticContact CE2-NE1 3.49Å; V428-W435 HydrophobicContact CG1-CZ2 4.14Å; L433-W435 HydrophobicContact CD1-CZ2 4.35Å; W435-F482 HydrophobicContact CB-CE2 4.23Å; W435-F482 HydrophobicContact CG-CE2 4.2Å; W435-H485 PolarHBondContact N-O 3.03Å; W435-H485 VanDerWaalsContact N-O 3.09Å; W435-V486 HydrophobicContact CB-CG2 4.22Å; W435-V486 CarbonylContact O-C 3.44Å; W435-V486 WeakPolarHBondContact O-CA 3.47Å; W435-T487 PolarHBondContact O-N 3.21Å; W435-T487 PolarHBondContact O-OG1 3.31Å
436M97.1Very high92.9Very high0 Ų025.2 Ų25.20%012%0.121CC..EExtended strand (participates in β ladder)trans-137.6136.8-178.7-165-91.3-107.500109.5E403 P404 R405 L406 D490 R550E403-M436 HydrophobicContact CG-CB 4.16Å; P404-M436 PolarHBondContact O-N 2.95Å; R405-M436 CarbonylContact C-O 3.45Å; R405-M436 VanDerWaalsContact CA-O 3.23Å; R405-M436 WeakPolarHBondContact CA-O 3.01Å; R405-M436 HydrophobicContact CG-CB 4.43Å; R405-M436 HydrophobicContact CG-CE 4.14Å; R405-M436 HydrophobicContact CG-SD 3.94Å; L406-M436 PolarHBondContact N-O 3.23Å; M436-D490 HydrophobicContact CE-CB 3.6Å; M436-D490 HydrophobicContact SD-CB 3.32Å; M436-D490 WeakPolarHBondContact SD-CB 3.39Å; M436-R550 HydrophobicContact CE-CB 4.22Å
437I97.9Very high92.6Very high0 Ų026.5 Ų26.50%013%0.125CC..EExtended strand (participates in β ladder)trans-100.9104.3-164.7-58.3-65.8000110.2L406 I408 W416 L419 F482 V486 G488 F489 D490L406-I437 HydrophobicContact CB-CD1 4.44Å; L406-I437 WeakPolarHBondContact O-CA 3.25Å; I408-I437 HydrophobicContact CB-CG2 3.95Å; I408-I437 HydrophobicContact CG1-CG2 3.78Å; W416-I437 HydrophobicContact CH2-CB 4.31Å; W416-I437 HydrophobicContact CH2-CD1 4.24Å; W416-I437 HydrophobicContact CH2-CG1 3.84Å; W416-I437 HydrophobicContact CH2-CG2 3.86Å; W416-I437 HydrophobicContact CZ2-CG2 4.24Å; W416-I437 HydrophobicContact CZ3-CD1 4.04Å; W416-I437 HydrophobicContact CZ3-CG1 4.09Å; L419-I437 HydrophobicContact CD2-CD1 4.26Å; I437-F482 HydrophobicContact CD1-CE1 3.84Å; I437-F482 HydrophobicContact CD1-CZ 3.83Å; I437-V486 HydrophobicContact CD1-CG2 4.1Å; I437-V486 HydrophobicContact CG1-CG1 3.76Å; I437-V486 HydrophobicContact CG1-CG2 4.05Å; I437-G488 PolarHBondContact N-O 3.02Å; I437-F489 HydrophobicContact CB-CD1 3.77Å; I437-F489 HydrophobicContact CB-CE1 3.9Å; I437-F489 HydrophobicContact CG2-CD1 3.85Å; I437-F489 HydrophobicContact CG2-CE1 3.76Å; I437-F489 CarbonylContact O-C 3.55Å; I437-F489 VanDerWaalsContact O-CA 3.29Å; I437-F489 WeakPolarHBondContact O-CA 3.36Å; I437-D490 PolarHBondContact O-N 2.74Å
438Q95.3Very high92.1Very high13 Ų1322.8 Ų22.86%0.06113%0.125CC..EExtended strand (participates in β ladder)trans-82.9133.1175.568.4-174.614.400110.5H285 R405 L406 S407 I408 D490 V492H285-Q438 PolarHBondContact CE1-OE1 3.05Å; H285-Q438 PolarHBondContact ND1-OE1 3.34Å; R405-Q438 HydrophobicContact CB-CB 4.2Å; R405-Q438 HydrophobicContact CB-CG 4.15Å; R405-Q438 VanDerWaalsContact CB-OE1 3.29Å; L406-Q438 PolarHBondContact O-N 2.71Å; S407-Q438 WeakPolarHBondContact CA-O 3.34Å; S407-Q438 PolarHBondContact OG-NE2 3.48Å; I408-Q438 PolarHBondContact N-O 2.94Å; Q438-D490 HydrophobicContact CB-CB 4.35Å; Q438-V492 HydrophobicContact CB-CG1 3.93Å; Q438-V492 HydrophobicContact CB-CG2 4.07Å; Q438-V492 HydrophobicContact CG-CG2 4.32Å
439V95.6Very high91.8Very high1 Ų130.9 Ų30.91%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-111.9108.7176.9177.60000109.1I408 R441 M458 I462 F489 D490 V492 M528I408-V439 WeakPolarHBondContact O-CA 3.26Å; V439-R441 PolarHBondContact O-N 2.97Å; V439-M458 HydrophobicContact CG1-CE 4.39Å; V439-I462 HydrophobicContact CG1-CD1 3.57Å; V439-I462 HydrophobicContact CG1-CG1 4.46Å; V439-I462 HydrophobicContact CG2-CG2 4.25Å; V439-F489 HydrophobicContact CG2-CD1 4.47Å; V439-D490 PolarHBondContact N-O 2.98Å; V439-V492 PolarHBondContact O-N 2.86Å; V439-M528 HydrophobicContact CB-CE 3.67Å; V439-M528 HydrophobicContact CB-SD 4.26Å; V439-M528 HydrophobicContact CG1-CE 4.3Å; V439-M528 HydrophobicContact CG1-SD 4.39Å; V439-M528 HydrophobicContact CG2-CE 3.69Å
440P91.4Very high91.5Very high1 Ų134.7 Ų34.71%0.00618%0.178CC..EExtended strand (participates in β ladder)trans-66.4126.5177.7-28.439.8000113.5F352 I408 Y409 I442 M458 V492F352-P440 HydrophobicContact CE1-CB 4.33Å; F352-P440 HydrophobicContact CE1-CG 4.48Å; I408-P440 WeakPolarHBondContact O-CD 3.48Å; Y409-P440 HydrophobicContact CD1-CB 4.19Å; Y409-P440 HydrophobicContact CD1-CG 3.72Å; Y409-P440 HydrophobicContact CE1-CB 4.45Å; Y409-P440 HydrophobicContact CE1-CG 3.8Å; P440-I442 HydrophobicContact CB-CD1 3.91Å; P440-I442 HydrophobicContact CB-CG1 3.9Å; P440-I442 HydrophobicContact CB-CG2 4.37Å; P440-I442 PolarHBondContact O-N 3.05Å; P440-M458 WeakPolarHBondContact O-CE 3.17Å; P440-V492 CarbonylContact C-O 3.59Å; P440-V492 WeakPolarHBondContact CA-O 3.47Å; P440-V492 HydrophobicContact CB-CG2 4.24Å; P440-V492 HydrophobicContact CG-CG2 3.93Å
441R90.7Very high91.2Very high11 Ų1140.2 Ų40.24%0.04220%0.202CC..  trans-75.946.4179.7-55.1178.6-84.4-113.79.4112.6V439 S491 V492 D493 E495 N518 Y524 H552V439-R441 PolarHBondContact O-N 2.97Å; R441-S491 VanDerWaalsContact CD-OG 3.29Å; R441-S491 WeakPolarHBondContact CD-OG 3.43Å; R441-S491 VanDerWaalsContact CG-OG 3.22Å; R441-S491 WeakPolarHBondContact CG-OG 3.49Å; R441-S491 VanDerWaalsContact NH1-C 3.29Å; R441-S491 PolarHBondContact NH1-O 2.92Å; R441-S491 PolarHBondContact NH1-OG 3.35Å; R441-V492 PolarHBondContact N-O 3.47Å; R441-D493 HydrophobicContact CB-CB 3.74Å; R441-D493 HydrophobicContact CG-CB 4.39Å; R441-D493 PolarHBondContact NH2-O 3.48Å; R441-E495 IonicContact NH2-OE1 2.78Å; R441-E495 PolarHBondContact NH2-OE1 2.86Å; R441-E495 VanDerWaalsContact NH2-OE1 3.1Å; R441-N518 PolarHBondContact O-ND2 3.01Å; R441-N518 PolarHBondContact O-OD1 2.92Å; R441-Y524 WeakPolarHBondContact CA-OH 3.49Å; R441-Y524 HydrophobicContact CB-CD1 4.27Å; R441-Y524 HydrophobicContact CB-CD2 4.4Å; R441-Y524 HydrophobicContact CB-CE1 3.88Å; R441-Y524 HydrophobicContact CB-CE2 4.03Å; R441-Y524 HydrophobicContact CB-CG 4.49Å; R441-Y524 HydrophobicContact CG-CD1 3.97Å; R441-Y524 HydrophobicContact CG-CD2 4.43Å; R441-Y524 HydrophobicContact CG-CE1 4.07Å; R441-Y524 HydrophobicContact CG-CG 4.13Å; R441-Y524 PolarHBondContact O-OH 2.7Å; R441-H552 PolarHBondContact NH1-O 2.93Å
442I87.9Confident91.1Very high22 Ų2237.1 Ų37.111%0.11318%0.182CC..  trans-112.934.8-169.965.2-179.3000113.4Y409 P440 D444 I445 F446Y409-I442 HydrophobicContact CD1-CD1 4.26Å; P440-I442 HydrophobicContact CB-CD1 3.91Å; P440-I442 HydrophobicContact CB-CG1 3.9Å; P440-I442 HydrophobicContact CB-CG2 4.37Å; P440-I442 PolarHBondContact O-N 3.05Å; I442-D444 PolarHBondContact O-N 2.92Å; I442-I445 HydrophobicContact CB-CD1 4.06Å; I442-I445 HydrophobicContact CB-CG1 4.27Å; I442-I445 HydrophobicContact CG2-CD1 4.36Å; I442-I445 PolarHBondContact O-N 3.43Å; I442-I445 VanDerWaalsContact O-N 3.11Å; I442-F446 HydrophobicContact CD1-CE1 4.1Å; I442-F446 HydrophobicContact CD1-CE2 4.25Å; I442-F446 HydrophobicContact CD1-CZ 3.63Å; I442-F446 HydrophobicContact CG1-CD2 4.4Å; I442-F446 HydrophobicContact CG1-CE1 4.24Å; I442-F446 HydrophobicContact CG1-CE2 3.71Å; I442-F446 HydrophobicContact CG1-CZ 3.61Å; I442-F446 PolarHBondContact O-N 2.82Å
443Y89.2Confident91.2Very high0 Ų039.6 Ų39.60%020%0.199CC..Hα-helixtrans-53.2-36177.3168-101.5000112.9I445 F446 R447 V452 H454 F455 M458 W513 I515 P519 Y524Y443-I445 VanDerWaalsContact C-N 3.34Å; Y443-I445 PolarHBondContact O-N 2.93Å; Y443-F446 PolarHBondContact O-N 2.88Å; Y443-F446 VanDerWaalsContact O-N 3.16Å; Y443-R447 HydrophobicContact CD1-CB 4.47Å; Y443-R447 HydrophobicContact CE1-CB 3.96Å; Y443-R447 HydrophobicContact CE1-CG 4.21Å; Y443-R447 HydrophobicContact CE2-CB 3.96Å; Y443-R447 HydrophobicContact CE2-CG 4.45Å; Y443-R447 VanDerWaalsContact O-CB 3.3Å; Y443-R447 WeakPolarHBondContact O-CB 3.36Å; Y443-R447 PolarHBondContact O-N 2.94Å; Y443-R447 WeakPolarHBondContact OH-CD 3.31Å; Y443-R447 WeakPolarHBondContact OH-CG 3.44Å; Y443-V452 HydrophobicContact CD2-CG2 3.88Å; Y443-V452 HydrophobicContact CE2-CG2 3.66Å; Y443-H454 WeakPolarHBondContact OH-CA 3.43Å; Y443-F455 HydrophobicContact CD1-CD2 4.44Å; Y443-F455 HydrophobicContact CD2-CB 4.27Å; Y443-F455 AromaticContact CD2-CD2 3.85Å; Y443-F455 HydrophobicContact CD2-CD2 3.85Å; Y443-F455 HydrophobicContact CE2-CB 4.08Å; Y443-F455 HydrophobicContact CE2-CD2 4.5Å; Y443-F455 AromaticContact CG-CD2 3.82Å; Y443-F455 HydrophobicContact CG-CD2 3.82Å; Y443-M458 HydrophobicContact CD2-SD 4.07Å; Y443-M458 HydrophobicContact CG-SD 4.38Å; Y443-W513 AromaticContact CE1-CD1 3.72Å; Y443-W513 PolarHBondContact OH-O 3.42Å; Y443-I515 VanDerWaalsContact CE1-O 3.3Å; Y443-I515 WeakPolarHBondContact CE1-O 3.39Å; Y443-I515 PolarHBondContact OH-O 3.37Å; Y443-P519 HydrophobicContact CD1-CG 4.42Å; Y443-Y524 WeakPolarHBondContact CB-OH 3.05Å; Y443-Y524 PolarHBondContact N-OH 2.79Å
444D85.9Confident91.3Very high49 Ų4941.3 Ų41.326%0.26221%0.207SC..Hα-helixtrans-58.8-41.9177.261.7-30.4000112.9I442 G448 V516 N518I442-D444 PolarHBondContact O-N 2.92Å; D444-G448 PolarHBondContact O-N 3.4Å; D444-V516 VanDerWaalsContact CA-O 3.25Å; D444-V516 WeakPolarHBondContact CA-O 3.36Å; D444-V516 WeakPolarHBondContact CB-O 3.38Å; D444-N518 HydrophobicContact CB-CB 4.06Å
445I85.6Confident91.3Very high72 Ų7238.8 Ų38.837%0.36920%0.195SC..Hα-helixtrans-65.2-42.1174.9-54.9-175.8000110.6I442 Y443 R449I442-I445 HydrophobicContact CB-CD1 4.06Å; I442-I445 HydrophobicContact CB-CG1 4.27Å; I442-I445 HydrophobicContact CG2-CD1 4.36Å; I442-I445 PolarHBondContact O-N 3.43Å; I442-I445 VanDerWaalsContact O-N 3.11Å; Y443-I445 VanDerWaalsContact C-N 3.34Å; Y443-I445 PolarHBondContact O-N 2.93Å; I445-R449 WeakPolarHBondContact O-CB 3.42Å; I445-R449 WeakPolarHBondContact O-CG 3.22Å; I445-R449 PolarHBondContact O-N 3.06Å
446F86.7Confident91.3Very high18 Ų1838.8 Ų38.88%0.07920%0.196CC..Hα-helixtrans-72.7-37.5-179.1-59.9-29.9000112.9Y409 C411 I442 Y443 R449 N450 F451 V452 M458Y409-F446 AromaticContact CD1-CZ 3.93Å; Y409-F446 HydrophobicContact CD1-CZ 3.93Å; Y409-F446 HydrophobicContact CG-CZ 4.19Å; Y409-F446 WeakPolarHBondContact O-CE2 3.32Å; C411-F446 HydrophobicContact CB-CD1 4.35Å; C411-F446 HydrophobicContact CB-CD2 4.27Å; C411-F446 HydrophobicContact CB-CE1 4.46Å; C411-F446 HydrophobicContact CB-CE2 4.38Å; C411-F446 HydrophobicContact CB-CG 4.26Å; C411-F446 HydrophobicContact CB-CZ 4.47Å; I442-F446 HydrophobicContact CD1-CE1 4.1Å; I442-F446 HydrophobicContact CD1-CE2 4.25Å; I442-F446 HydrophobicContact CD1-CZ 3.63Å; I442-F446 HydrophobicContact CG1-CD2 4.4Å; I442-F446 HydrophobicContact CG1-CE1 4.24Å; I442-F446 HydrophobicContact CG1-CE2 3.71Å; I442-F446 HydrophobicContact CG1-CZ 3.61Å; I442-F446 PolarHBondContact O-N 2.82Å; Y443-F446 PolarHBondContact O-N 2.88Å; Y443-F446 VanDerWaalsContact O-N 3.16Å; F446-R449 CarbonylContact O-C 3.57Å; F446-R449 PolarHBondContact O-N 3.29Å; F446-N450 PolarHBondContact O-N 3.13Å; F446-N450 VanDerWaalsContact O-N 3.14Å; F446-F451 HydrophobicContact CB-CB 4.33Å; F446-F451 HydrophobicContact CD1-CD2 4.02Å; F446-F451 PolarHBondContact O-N 2.71Å; F446-V452 HydrophobicContact CB-CG2 3.93Å; F446-M458 HydrophobicContact CD2-SD 4.37Å
447R89.1Confident91.3Very high47 Ų4741.6 Ų41.618%0.17721%0.208CC..Hα-helixtrans-72-43.3176.3-175.456.1175.5146.2-3.8111.6Y443 R449 N450 V452 P453 D514 V516Y443-R447 HydrophobicContact CD1-CB 4.47Å; Y443-R447 HydrophobicContact CE1-CB 3.96Å; Y443-R447 HydrophobicContact CE1-CG 4.21Å; Y443-R447 HydrophobicContact CE2-CB 3.96Å; Y443-R447 HydrophobicContact CE2-CG 4.45Å; Y443-R447 VanDerWaalsContact O-CB 3.3Å; Y443-R447 WeakPolarHBondContact O-CB 3.36Å; Y443-R447 PolarHBondContact O-N 2.94Å; Y443-R447 WeakPolarHBondContact OH-CD 3.31Å; Y443-R447 WeakPolarHBondContact OH-CG 3.44Å; R447-R449 PolarHBondContact O-N 2.91Å; R447-N450 PolarHBondContact O-N 2.64Å; R447-V452 WeakPolarHBondContact CD-O 3.49Å; R447-P453 PolarHBondContact NE-O 2.76Å; R447-P453 VanDerWaalsContact NE-O 3.17Å; R447-P453 PolarHBondContact NH1-O 3.48Å; R447-P453 PolarHBondContact NH2-O 3.34Å; R447-D514 PolarHBondContact NE-O 2.79Å; R447-D514 PolarHBondContact NH2-O 2.92Å; R447-V516 HydrophobicContact CG-CG2 4.22Å
448G86.2Confident91.3Very high46 Ų4641.7 Ų41.747%0.47421%0.209SC..Hα-helixtrans-61.9-24.2173.800000113.9D444D444-G448 PolarHBondContact O-N 3.4Å
449R87.5Confident91.4Very high172 Ų17241.1 Ų41.165%0.64921%0.206SC*.THydrogen-bonded Turntrans-95.93.7171.8-67.4-178.9-179-158.71.3114.2I445 F446 R447 F451I445-R449 WeakPolarHBondContact O-CB 3.42Å; I445-R449 WeakPolarHBondContact O-CG 3.22Å; I445-R449 PolarHBondContact O-N 3.06Å; F446-R449 CarbonylContact O-C 3.57Å; F446-R449 PolarHBondContact O-N 3.29Å; R447-R449 PolarHBondContact O-N 2.91Å; R449-F451 HydrophobicContact CB-CD2 3.8Å; R449-F451 HydrophobicContact CB-CE2 3.78Å; R449-F451 HydrophobicContact CB-CG 4.4Å; R449-F451 HydrophobicContact CB-CZ 4.36Å; R449-F451 HydrophobicContact CG-CE2 4.38Å; R449-F451 PolarHBondContact O-N 2.89Å
450N88.9Confident91.5Very high124 Ų12443.6 Ų43.666%0.66322%0.217SC*.THydrogen-bonded Turntrans55.127.1-175.9-61.8-66.4000115.4F446 R447 V452F446-N450 PolarHBondContact O-N 3.13Å; F446-N450 VanDerWaalsContact O-N 3.14Å; R447-N450 PolarHBondContact O-N 2.64Å; N450-V452 VanDerWaalsContact C-N 3.31Å
451F87Confident91.8Very high118 Ų11843.7 Ų43.752%0.51822%0.218SC..SBendtrans-71.2-27.6171.7-66.9-47.5000112.5C411 F446 R449C411-F451 HydrophobicContact CB-CB 4.29Å; F446-F451 HydrophobicContact CB-CB 4.33Å; F446-F451 HydrophobicContact CD1-CD2 4.02Å; F446-F451 PolarHBondContact O-N 2.71Å; R449-F451 HydrophobicContact CB-CD2 3.8Å; R449-F451 HydrophobicContact CB-CE2 3.78Å; R449-F451 HydrophobicContact CB-CG 4.4Å; R449-F451 HydrophobicContact CB-CZ 4.36Å; R449-F451 HydrophobicContact CG-CE2 4.38Å; R449-F451 PolarHBondContact O-N 2.89Å
452V91.3Very high92.1Very high3 Ų343.3 Ų43.32%0.01822%0.217CC..  trans-131.8144.5174.6-67.60000111Y443 F446 R447 N450Y443-V452 HydrophobicContact CD2-CG2 3.88Å; Y443-V452 HydrophobicContact CE2-CG2 3.66Å; F446-V452 HydrophobicContact CB-CG2 3.93Å; R447-V452 WeakPolarHBondContact CD-O 3.49Å; N450-V452 VanDerWaalsContact C-N 3.31Å
453P95.1Very high92.6Very high67 Ų6742.2 Ų42.244%0.43521%0.211SC..SBendtrans-79.4-31.2-18030.2-35.5000114.1R447 K457R447-P453 PolarHBondContact NE-O 2.76Å; R447-P453 VanDerWaalsContact NE-O 3.17Å; R447-P453 PolarHBondContact NH1-O 3.48Å; R447-P453 PolarHBondContact NH2-O 3.34Å; P453-K457 HydrophobicContact CG-CB 3.93Å; P453-K457 HydrophobicContact CG-CG 4.11Å
454H96.1Very high93Very high47 Ų4743.6 Ų43.622%0.21822%0.218CC..SBendtrans-161.4164.3-177.954.779.9000109.6Y443 G456 K457 P510 E511 W513 D514Y443-H454 WeakPolarHBondContact OH-CA 3.43Å; H454-G456 VanDerWaalsContact C-N 3.29Å; H454-G456 PolarHBondContact ND1-N 3.39Å; H454-G456 PolarHBondContact O-N 3.34Å; H454-K457 PolarHBondContact CE1-N 3.21Å; H454-K457 VanDerWaalsContact CE1-N 3.32Å; H454-K457 PolarHBondContact ND1-N 2.89Å; H454-K457 PolarHBondContact O-N 3.1Å; H454-K457 VanDerWaalsContact O-N 3.09Å; H454-P510 PolarHBondContact ND1-O 3.31Å; H454-E511 WeakPolarHBondContact ND1-CA 3.3Å; H454-W513 WeakPolarHBondContact CA-O 3.11Å; H454-D514 HydrophobicContact CB-CB 4.36Å
455F96.4Very high93.6Very high1 Ų141.9 Ų41.90%0.00421%0.21CC..Hα-helixtrans-60.2-35.7-175.3-175.7-115.2000113.6Y443 K457 M458 L459 P510 W513 P519 Y523 Y524Y443-F455 HydrophobicContact CD1-CD2 4.44Å; Y443-F455 HydrophobicContact CD2-CB 4.27Å; Y443-F455 AromaticContact CD2-CD2 3.85Å; Y443-F455 HydrophobicContact CD2-CD2 3.85Å; Y443-F455 HydrophobicContact CE2-CB 4.08Å; Y443-F455 HydrophobicContact CE2-CD2 4.5Å; Y443-F455 AromaticContact CG-CD2 3.82Å; Y443-F455 HydrophobicContact CG-CD2 3.82Å; F455-K457 PolarHBondContact O-N 2.95Å; F455-M458 HydrophobicContact CD2-SD 4.23Å; F455-M458 HydrophobicContact CE2-SD 4.08Å; F455-M458 WeakPolarHBondContact O-CA 3.45Å; F455-M458 WeakPolarHBondContact O-CB 3.34Å; F455-M458 PolarHBondContact O-N 2.9Å; F455-L459 HydrophobicContact CD1-CD1 3.94Å; F455-L459 HydrophobicContact CD1-CG 4.16Å; F455-L459 HydrophobicContact CE1-CD1 3.69Å; F455-L459 HydrophobicContact CE1-CD2 3.94Å; F455-L459 HydrophobicContact CE1-CG 3.8Å; F455-L459 HydrophobicContact CZ-CD1 4.48Å; F455-L459 HydrophobicContact CZ-CD2 3.92Å; F455-L459 HydrophobicContact CZ-CG 4.12Å; F455-L459 PolarHBondContact O-N 2.66Å; F455-L459 VanDerWaalsContact O-N 3.07Å; F455-P510 HydrophobicContact CD1-CB 3.92Å; F455-P510 HydrophobicContact CD1-CG 4.28Å; F455-P510 PolarHBondContact N-O 3.19Å; F455-W513 HydrophobicContact CB-CB 4.03Å; F455-W513 HydrophobicContact CB-CG 4.34Å; F455-W513 PolarHBondContact N-O 3.03Å; F455-P519 HydrophobicContact CB-CG 4.35Å; F455-P519 HydrophobicContact CD1-CG 4.16Å; F455-P519 HydrophobicContact CD2-CG 3.82Å; F455-P519 HydrophobicContact CE1-CG 4.43Å; F455-P519 HydrophobicContact CE2-CG 4.12Å; F455-P519 HydrophobicContact CG-CG 3.84Å; F455-P519 HydrophobicContact CZ-CG 4.41Å; F455-Y523 HydrophobicContact CD1-CD1 4.13Å; F455-Y523 AromaticContact CD1-CE1 3.58Å; F455-Y523 HydrophobicContact CD1-CE1 3.58Å; F455-Y523 AromaticContact CE1-CD1 3.8Å; F455-Y523 HydrophobicContact CE1-CD1 3.8Å; F455-Y523 AromaticContact CE1-CE1 3.67Å; F455-Y523 HydrophobicContact CE1-CE1 3.67Å; F455-Y524 AromaticContact CE2-CD1 3.95Å; F455-Y524 HydrophobicContact CE2-CD1 3.95Å; F455-Y524 AromaticContact CE2-CE1 3.45Å; F455-Y524 HydrophobicContact CE2-CE1 3.45Å; F455-Y524 VanDerWaalsContact CE2-CE1 3.45Å; F455-Y524 HydrophobicContact CE2-CE2 4.28Å; F455-Y524 AromaticContact CE2-CZ 3.66Å; F455-Y524 AromaticContact CZ-CD1 3.71Å; F455-Y524 HydrophobicContact CZ-CD1 3.71Å; F455-Y524 HydrophobicContact CZ-CD2 4.49Å; F455-Y524 AromaticContact CZ-CE1 3.74Å; F455-Y524 HydrophobicContact CZ-CE1 3.74Å; F455-Y524 HydrophobicContact CZ-CG 4.11Å
456G97.1Very high94.1Very high2 Ų238.5 Ų38.52%0.02119%0.193CC..Hα-helixtrans-57.3-32.2176.200000113.3M190 H454 L459 E460 P510M190-G456 VanDerWaalsContact SD-O 3.39Å; H454-G456 VanDerWaalsContact C-N 3.29Å; H454-G456 PolarHBondContact ND1-N 3.39Å; H454-G456 PolarHBondContact O-N 3.34Å; G456-L459 PolarHBondContact O-N 3.4Å; G456-E460 WeakPolarHBondContact O-CB 3.31Å; G456-E460 PolarHBondContact O-N 3.24Å; G456-P510 VanDerWaalsContact CA-CB 3.47Å; G456-P510 VanDerWaalsContact N-C 3.29Å; G456-P510 PolarHBondContact N-O 2.89Å
457K97.1Very high94.7Very high60 Ų6037.6 Ų37.626%0.26119%0.189SC..Hα-helixtrans-73.5-30.1176.4-174.450.7176.2153.20112.4P453 H454 F455 E460 N461P453-K457 HydrophobicContact CG-CB 3.93Å; P453-K457 HydrophobicContact CG-CG 4.11Å; H454-K457 PolarHBondContact CE1-N 3.21Å; H454-K457 VanDerWaalsContact CE1-N 3.32Å; H454-K457 PolarHBondContact ND1-N 2.89Å; H454-K457 PolarHBondContact O-N 3.1Å; H454-K457 VanDerWaalsContact O-N 3.09Å; F455-K457 PolarHBondContact O-N 2.95Å; K457-E460 HydrophobicContact CD-CB 4.4Å; K457-E460 WeakPolarHBondContact CD-OE2 3.33Å; K457-E460 WeakPolarHBondContact CE-OE2 3.37Å; K457-E460 IonicContact NZ-OE2 3.79Å; K457-E460 PolarHBondContact NZ-OE2 3.38Å; K457-N461 VanDerWaalsContact CE-OD1 3.27Å; K457-N461 WeakPolarHBondContact CE-OD1 3.48Å; K457-N461 PolarHBondContact NZ-OD1 2.58Å; K457-N461 WeakPolarHBondContact O-CB 3.43Å; K457-N461 PolarHBondContact O-N 3.19Å; K457-N461 PolarHBondContact O-ND2 3.17Å; K457-N461 PolarHBondContact O-OD1 3.25Å
458M96.3Very high95Very high1 Ų139.9 Ų39.91%0.00520%0.201CC..Hα-helixtrans-66.4-46.1170.4-179.2-179.2166.300110.6Y409 G410 V439 P440 Y443 F446 F455 E460 N461 I462 Y524Y409-M458 WeakPolarHBondContact O-CE 3.4Å; G410-M458 WeakPolarHBondContact O-CA 3.37Å; V439-M458 HydrophobicContact CG1-CE 4.39Å; P440-M458 WeakPolarHBondContact O-CE 3.17Å; Y443-M458 HydrophobicContact CD2-SD 4.07Å; Y443-M458 HydrophobicContact CG-SD 4.38Å; F446-M458 HydrophobicContact CD2-SD 4.37Å; F455-M458 HydrophobicContact CD2-SD 4.23Å; F455-M458 HydrophobicContact CE2-SD 4.08Å; F455-M458 WeakPolarHBondContact O-CA 3.45Å; F455-M458 WeakPolarHBondContact O-CB 3.34Å; F455-M458 PolarHBondContact O-N 2.9Å; M458-E460 PolarHBondContact O-N 2.82Å; M458-N461 PolarHBondContact O-N 3.25Å; M458-I462 HydrophobicContact CE-CD1 4.36Å; M458-I462 HydrophobicContact CG-CD1 4.03Å; M458-I462 WeakPolarHBondContact O-CD1 2.98Å; M458-I462 VanDerWaalsContact O-CG1 3.27Å; M458-I462 WeakPolarHBondContact O-CG1 3.1Å; M458-I462 PolarHBondContact O-N 2.6Å; M458-I462 VanDerWaalsContact O-N 3.09Å; M458-Y524 HydrophobicContact CE-CE1 4.17Å
459L97.9Very high95.5Very high2 Ų238 Ų381%0.0118%0.181CC..Hα-helixtrans-59.4-43.8173.7-65.8175.5000112.3M190 F455 G456 I462 F463 P510 Y527M190-L459 HydrophobicContact CE-CB 3.82Å; M190-L459 HydrophobicContact SD-CB 3.74Å; F455-L459 HydrophobicContact CD1-CD1 3.94Å; F455-L459 HydrophobicContact CD1-CG 4.16Å; F455-L459 HydrophobicContact CE1-CD1 3.69Å; F455-L459 HydrophobicContact CE1-CD2 3.94Å; F455-L459 HydrophobicContact CE1-CG 3.8Å; F455-L459 HydrophobicContact CZ-CD1 4.48Å; F455-L459 HydrophobicContact CZ-CD2 3.92Å; F455-L459 HydrophobicContact CZ-CG 4.12Å; F455-L459 PolarHBondContact O-N 2.66Å; F455-L459 VanDerWaalsContact O-N 3.07Å; G456-L459 PolarHBondContact O-N 3.4Å; L459-I462 PolarHBondContact O-N 2.86Å; L459-F463 HydrophobicContact CD2-CE2 4.24Å; L459-F463 WeakPolarHBondContact O-CD2 3.48Å; L459-F463 PolarHBondContact O-N 2.97Å; L459-P510 HydrophobicContact CD1-CB 3.83Å; L459-P510 HydrophobicContact CD1-CG 3.91Å; L459-Y527 HydrophobicContact CD1-CD1 4.34Å; L459-Y527 HydrophobicContact CD1-CG 4.01Å
460E97.8Very high96Very high52 Ų5229.8 Ų29.824%0.24315%0.15CC..Hα-helixtrans-61.2-47.4177.5-172-173.1-132.100111.1M190 G456 K457 M458 I462 F463 L464M190-E460 HydrophobicContact CB-CB 4.43Å; M190-E460 HydrophobicContact CB-CG 4.34Å; M190-E460 HydrophobicContact CE-CB 4.5Å; M190-E460 HydrophobicContact SD-CB 3.96Å; G456-E460 WeakPolarHBondContact O-CB 3.31Å; G456-E460 PolarHBondContact O-N 3.24Å; K457-E460 HydrophobicContact CD-CB 4.4Å; K457-E460 WeakPolarHBondContact CD-OE2 3.33Å; K457-E460 WeakPolarHBondContact CE-OE2 3.37Å; K457-E460 IonicContact NZ-OE2 3.79Å; K457-E460 PolarHBondContact NZ-OE2 3.38Å; M458-E460 PolarHBondContact O-N 2.82Å; E460-I462 PolarHBondContact O-N 2.54Å; E460-F463 PolarHBondContact O-N 2.8Å; E460-L464 HydrophobicContact CG-CB 3.84Å; E460-L464 HydrophobicContact CG-CD2 3.8Å; E460-L464 HydrophobicContact CG-CG 4.44Å; E460-L464 WeakPolarHBondContact O-CB 3.48Å; E460-L464 PolarHBondContact O-N 3.27Å
461N97.3Very high96.4Very high4 Ų424.2 Ų24.22%0.02112%0.12CC..Hα-helixtrans-60.6-31.3177.4-68.1-16.6000112.8G410 C411 P413 K457 M458 P465G410-N461 VanDerWaalsContact O-CB 3.29Å; G410-N461 WeakPolarHBondContact O-CB 3.19Å; G410-N461 PolarHBondContact O-ND2 2.9Å; C411-N461 PolarHBondContact O-ND2 3.25Å; P413-N461 WeakPolarHBondContact CD-OD1 3.49Å; K457-N461 VanDerWaalsContact CE-OD1 3.27Å; K457-N461 WeakPolarHBondContact CE-OD1 3.48Å; K457-N461 PolarHBondContact NZ-OD1 2.58Å; K457-N461 WeakPolarHBondContact O-CB 3.43Å; K457-N461 PolarHBondContact O-N 3.19Å; K457-N461 PolarHBondContact O-ND2 3.17Å; K457-N461 PolarHBondContact O-OD1 3.25Å; M458-N461 PolarHBondContact O-N 3.25Å; N461-P465 WeakPolarHBondContact O-CD 3.49Å
462I97.8Very high96.8Very high2 Ų220.2 Ų20.21%0.0110%0.104CC..Hα-helixtrans-75.3-49.4175.8-65.8157.7000111.2I408 W416 V439 M458 L459 E460I408-I462 HydrophobicContact CG2-CG1 4.3Å; W416-I462 PolarHBondContact NE1-O 3.16Å; V439-I462 HydrophobicContact CG1-CD1 3.57Å; V439-I462 HydrophobicContact CG1-CG1 4.46Å; V439-I462 HydrophobicContact CG2-CG2 4.25Å; M458-I462 HydrophobicContact CE-CD1 4.36Å; M458-I462 HydrophobicContact CG-CD1 4.03Å; M458-I462 WeakPolarHBondContact O-CD1 2.98Å; M458-I462 VanDerWaalsContact O-CG1 3.27Å; M458-I462 WeakPolarHBondContact O-CG1 3.1Å; M458-I462 PolarHBondContact O-N 2.6Å; M458-I462 VanDerWaalsContact O-N 3.09Å; L459-I462 PolarHBondContact O-N 2.86Å; E460-I462 PolarHBondContact O-N 2.54Å
463F98.3Very high97Very high0 Ų020.2 Ų20.20%010%0.104CC..Hα-helixtrans-97.8-36.5-167-69.3-67000114.6M195 L459 E460 V466 F467 M528 N531 I532M195-F463 HydrophobicContact CG-CB 3.89Å; L459-F463 HydrophobicContact CD2-CE2 4.24Å; L459-F463 WeakPolarHBondContact O-CD2 3.48Å; L459-F463 PolarHBondContact O-N 2.97Å; E460-F463 PolarHBondContact O-N 2.8Å; F463-V466 PolarHBondContact O-N 2.9Å; F463-V466 VanDerWaalsContact O-N 3.1Å; F463-F467 HydrophobicContact CB-CD2 4.26Å; F463-F467 HydrophobicContact CB-CE2 4.41Å; F463-F467 WeakPolarHBondContact O-CD2 3.11Å; F463-F467 PolarHBondContact O-N 3.21Å; F463-M528 HydrophobicContact CZ-CB 4.4Å; F463-M528 HydrophobicContact CZ-CG 4.43Å; F463-N531 HydrophobicContact CB-CB 4.41Å; F463-N531 HydrophobicContact CD1-CB 3.77Å; F463-N531 HydrophobicContact CD2-CB 3.58Å; F463-N531 HydrophobicContact CE1-CB 3.86Å; F463-N531 HydrophobicContact CE2-CB 3.67Å; F463-N531 HydrophobicContact CG-CB 3.64Å; F463-N531 HydrophobicContact CZ-CB 3.81Å; F463-I532 HydrophobicContact CE1-CG1 3.88Å; F463-I532 HydrophobicContact CZ-CG1 4.25Å
464L97.8Very high96.9Very high28 Ų2822.1 Ų22.115%0.14711%0.107CC..Hα-helixtrans-56.7-44.9-175.3179.365.8000113A188 M195 E460 V466 F467 Q468A188-L464 HydrophobicContact CB-CD1 4.26Å; M195-L464 HydrophobicContact CE-CD1 3.65Å; M195-L464 HydrophobicContact SD-CB 4.31Å; M195-L464 HydrophobicContact SD-CD1 4.4Å; E460-L464 HydrophobicContact CG-CB 3.84Å; E460-L464 HydrophobicContact CG-CD2 3.8Å; E460-L464 HydrophobicContact CG-CG 4.44Å; E460-L464 WeakPolarHBondContact O-CB 3.48Å; E460-L464 PolarHBondContact O-N 3.27Å; L464-V466 VanDerWaalsContact C-N 3.29Å; L464-V466 PolarHBondContact O-N 3.17Å; L464-F467 PolarHBondContact O-N 2.78Å; L464-Q468 HydrophobicContact CD1-CG 3.97Å; L464-Q468 HydrophobicContact CG-CG 4.25Å; L464-Q468 WeakPolarHBondContact O-CB 3.26Å; L464-Q468 VanDerWaalsContact O-CG 3.31Å; L464-Q468 WeakPolarHBondContact O-CG 3.41Å; L464-Q468 PolarHBondContact O-N 2.82Å
465P97.8Very high96.8Very high14 Ų1423.5 Ų23.59%0.09112%0.122CC..Hα-helixtrans-63-34.5178.3-24.436.9000113.1P413 W416 N461 T469 L479P413-P465 HydrophobicContact CB-CG 4.38Å; W416-P465 HydrophobicContact CB-CB 4.28Å; W416-P465 HydrophobicContact CG-CB 4.24Å; N461-P465 WeakPolarHBondContact O-CD 3.49Å; P465-T469 VanDerWaalsContact O-CB 3.3Å; P465-T469 WeakPolarHBondContact O-CB 3.29Å; P465-T469 PolarHBondContact O-N 3.44Å; P465-T469 PolarHBondContact O-OG1 3.44Å; P465-L479 HydrophobicContact CB-CD2 4.35Å
466V97.6Very high96.7Very high0 Ų025.5 Ų25.50%013%0.133CC..Hα-helixtrans-73.2-38.8178.9-168.70000111W416 F463 L464 T470 L483 L535 F547W416-V466 HydrophobicContact CD2-CG2 4.03Å; W416-V466 HydrophobicContact CE3-CG2 4.5Å; W416-V466 HydrophobicContact CH2-CG2 3.79Å; W416-V466 HydrophobicContact CZ2-CG2 3.26Å; W416-V466 HydrophobicContact CZ3-CG2 4.39Å; F463-V466 PolarHBondContact O-N 2.9Å; F463-V466 VanDerWaalsContact O-N 3.1Å; L464-V466 VanDerWaalsContact C-N 3.29Å; L464-V466 PolarHBondContact O-N 3.17Å; V466-T470 VanDerWaalsContact O-CB 3.23Å; V466-T470 WeakPolarHBondContact O-CB 3.43Å; V466-T470 PolarHBondContact O-N 3.33Å; V466-T470 PolarHBondContact O-OG1 2.77Å; V466-L483 HydrophobicContact CG1-CD1 3.89Å; V466-L483 HydrophobicContact CG1-CD2 3.95Å; V466-L535 HydrophobicContact CB-CD2 4.33Å; V466-L535 HydrophobicContact CG1-CD1 4.28Å; V466-L535 HydrophobicContact CG1-CD2 3.62Å; V466-F547 HydrophobicContact CG1-CE2 4.15Å
467F97.8Very high96.6Very high0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-65.5-47.1172.1-91.1-92.2000111.9A188 M195 V197 F463 L464 T469 T470 I471 V534 L535 L538A188-F467 HydrophobicContact CB-CB 4.01Å; M195-F467 HydrophobicContact CB-CD1 4.34Å; M195-F467 HydrophobicContact CB-CD2 3.84Å; M195-F467 HydrophobicContact CB-CE1 4Å; M195-F467 HydrophobicContact CB-CE2 3.44Å; M195-F467 VanDerWaalsContact CB-CE2 3.44Å; M195-F467 HydrophobicContact CB-CG 4.26Å; M195-F467 HydrophobicContact CB-CZ 3.52Å; M195-F467 HydrophobicContact CE-CB 4.14Å; M195-F467 HydrophobicContact CE-CD2 4.36Å; M195-F467 HydrophobicContact CE-CG 4.14Å; M195-F467 HydrophobicContact CG-CD2 3.66Å; M195-F467 HydrophobicContact CG-CE2 3.6Å; M195-F467 HydrophobicContact CG-CG 4.31Å; M195-F467 HydrophobicContact CG-CZ 4.22Å; V197-F467 HydrophobicContact CG2-CD1 3.83Å; V197-F467 HydrophobicContact CG2-CE1 3.81Å; F463-F467 HydrophobicContact CB-CD2 4.26Å; F463-F467 HydrophobicContact CB-CE2 4.41Å; F463-F467 WeakPolarHBondContact O-CD2 3.11Å; F463-F467 PolarHBondContact O-N 3.21Å; L464-F467 PolarHBondContact O-N 2.78Å; F467-T469 PolarHBondContact O-N 3.18Å; F467-T470 CarbonylContact O-C 3.59Å; F467-T470 WeakPolarHBondContact O-CB 3.37Å; F467-T470 PolarHBondContact O-N 2.69Å; F467-T470 VanDerWaalsContact O-N 3.12Å; F467-I471 WeakPolarHBondContact O-CG1 3.27Å; F467-I471 PolarHBondContact O-N 3.4Å; F467-V534 HydrophobicContact CE1-CG1 4.09Å; F467-V534 HydrophobicContact CZ-CB 4.19Å; F467-V534 HydrophobicContact CZ-CG1 4.08Å; F467-L535 HydrophobicContact CD1-CD1 4.28Å; F467-L535 HydrophobicContact CD2-CB 4.44Å; F467-L535 HydrophobicContact CD2-CD1 4.04Å; F467-L535 HydrophobicContact CE1-CB 4.31Å; F467-L535 HydrophobicContact CE1-CD1 4.35Å; F467-L535 HydrophobicContact CE2-CB 3.7Å; F467-L535 HydrophobicContact CE2-CD1 4.13Å; F467-L535 HydrophobicContact CE2-CG 4.34Å; F467-L535 HydrophobicContact CG-CD1 4.13Å; F467-L535 HydrophobicContact CZ-CB 3.63Å; F467-L535 HydrophobicContact CZ-CD1 4.3Å; F467-L538 HydrophobicContact CD1-CD2 4.3Å
468Q96.9Very high96.6Very high94 Ų9428 Ų2844%0.43915%0.149SC..Hα-helixtrans-58.1-49177-75.5172.2-26.600111.2L464 T470 I471 D472L464-Q468 HydrophobicContact CD1-CG 3.97Å; L464-Q468 HydrophobicContact CG-CG 4.25Å; L464-Q468 WeakPolarHBondContact O-CB 3.26Å; L464-Q468 VanDerWaalsContact O-CG 3.31Å; L464-Q468 WeakPolarHBondContact O-CG 3.41Å; L464-Q468 PolarHBondContact O-N 2.82Å; Q468-T470 PolarHBondContact O-N 2.97Å; Q468-I471 WeakPolarHBondContact O-CB 3.49Å; Q468-I471 PolarHBondContact O-N 3.06Å; Q468-D472 PolarHBondContact O-N 2.86Å
469T96.5Very high96.6Very high7 Ų728 Ų284%0.04315%0.149CC..Hα-helixtrans-66.4-26.3177-50.90000112.6P465 F467 D472 P473 N476 L479 S480 L483P465-T469 VanDerWaalsContact O-CB 3.3Å; P465-T469 WeakPolarHBondContact O-CB 3.29Å; P465-T469 PolarHBondContact O-N 3.44Å; P465-T469 PolarHBondContact O-OG1 3.44Å; F467-T469 PolarHBondContact O-N 3.18Å; T469-D472 CarbonylContact O-C 3.56Å; T469-P473 WeakPolarHBondContact O-CA 3.47Å; T469-N476 HydrophobicContact CG2-CB 4.48Å; T469-L479 HydrophobicContact CG2-CB 4.09Å; T469-L479 HydrophobicContact CG2-CD2 4.48Å; T469-L479 HydrophobicContact CG2-CG 4.05Å; T469-L479 WeakPolarHBondContact OG1-CD2 3.34Å; T469-S480 WeakPolarHBondContact CG2-OG 3.36Å; T469-L483 HydrophobicContact CG2-CD1 4.12Å
470T96.8Very high96.6Very high0 Ų028.4 Ų28.40%015%0.152CC..Hα-helixtrans-74.5-25172.1-63.30000112.4V466 F467 Q468 L535 L538 R539 R542 L544V466-T470 VanDerWaalsContact O-CB 3.23Å; V466-T470 WeakPolarHBondContact O-CB 3.43Å; V466-T470 PolarHBondContact O-N 3.33Å; V466-T470 PolarHBondContact O-OG1 2.77Å; F467-T470 CarbonylContact O-C 3.59Å; F467-T470 WeakPolarHBondContact O-CB 3.37Å; F467-T470 PolarHBondContact O-N 2.69Å; F467-T470 VanDerWaalsContact O-N 3.12Å; Q468-T470 PolarHBondContact O-N 2.97Å; T470-L535 HydrophobicContact CG2-CD1 4.29Å; T470-L538 HydrophobicContact CG2-CB 4.46Å; T470-L538 HydrophobicContact CG2-CD2 3.63Å; T470-L538 HydrophobicContact CG2-CG 3.79Å; T470-R539 HydrophobicContact CG2-CG 3.46Å; T470-R539 VanDerWaalsContact CG2-CG 3.46Å; T470-R539 PolarHBondContact OG1-NH1 3.44Å; T470-R542 WeakPolarHBondContact O-CD 3.44Å; T470-R542 PolarHBondContact O-NH1 3.21Å; T470-L544 HydrophobicContact CG2-CD1 4.36Å
471I96.9Very high96.4Very high6 Ų626 Ų263%0.03114%0.141CC..Hα-helixtrans-86.9-46.6176.8-70.9168.4000111.3N183 L184 Y186 A188 V197 F467 Q468 L538 R542N183-I471 WeakPolarHBondContact CA-O 3.46Å; L184-I471 HydrophobicContact CB-CG2 4.44Å; L184-I471 PolarHBondContact N-O 2.8Å; L184-I471 VanDerWaalsContact N-O 3.13Å; Y186-I471 WeakPolarHBondContact O-CG2 3.29Å; A188-I471 HydrophobicContact CB-CD1 3.85Å; V197-I471 HydrophobicContact CG1-CD1 4.22Å; F467-I471 WeakPolarHBondContact O-CG1 3.27Å; F467-I471 PolarHBondContact O-N 3.4Å; Q468-I471 WeakPolarHBondContact O-CB 3.49Å; Q468-I471 PolarHBondContact O-N 3.06Å; I471-L538 HydrophobicContact CD1-CD2 4.49Å; I471-L538 HydrophobicContact CG1-CD2 3.88Å; I471-R542 PolarHBondContact O-NH1 3.19Å
472D96.2Very high96.4Very high34 Ų3425.9 Ų25.918%0.18214%0.14CC..  trans-124.788.7176.3-171.7-17.4000110.6N183 Q468 T469 Q474 S475N183-D472 HydrophobicContact CB-CB 3.95Å; N183-D472 VanDerWaalsContact ND2-CG 3.33Å; N183-D472 PolarHBondContact ND2-OD2 3.28Å; Q468-D472 PolarHBondContact O-N 2.86Å; T469-D472 CarbonylContact O-C 3.56Å; D472-Q474 PolarHBondContact O-N 2.94Å; D472-Q474 WeakPolarHBondContact OD1-CA 3.19Å; D472-Q474 WeakPolarHBondContact OD1-CB 3.2Å; D472-Q474 PolarHBondContact OD1-N 3.04Å; D472-S475 PolarHBondContact O-N 3.32Å; D472-S475 PolarHBondContact O-OG 3.3Å; D472-S475 PolarHBondContact OD1-N 3.33Å
473P95.2Very high96.4Very high4 Ų425.8 Ų25.83%0.02614%0.14CC..THydrogen-bonded Turntrans-63-20.4175.8-25.135.2000114.6L180 P181 T469 N476 S480L180-P473 HydrophobicContact CB-CB 4.34Å; L180-P473 HydrophobicContact CD2-CB 4.37Å; P181-P473 HydrophobicContact CB-CG 4.31Å; P181-P473 VanDerWaalsContact O-CD 3.31Å; P181-P473 WeakPolarHBondContact O-CD 3.45Å; P181-P473 WeakPolarHBondContact O-CG 3.12Å; T469-P473 WeakPolarHBondContact O-CA 3.47Å; P473-N476 CarbonylContact O-C 3.53Å; P473-S480 WeakPolarHBondContact CA-OG 3.35Å; P473-S480 WeakPolarHBondContact CB-OG 3.44Å; P473-S480 PolarHBondContact O-OG 3.34Å
474Q93.3Very high96.2Very high107 Ų10728.3 Ų28.350%0.515%0.15SC..THydrogen-bonded Turntrans-86.9-24.7-176.6-58.9-178.83.400111.6L180 D472 N476 P477L180-Q474 PolarHBondContact O-NE2 3.15Å; D472-Q474 PolarHBondContact O-N 2.94Å; D472-Q474 WeakPolarHBondContact OD1-CA 3.19Å; D472-Q474 WeakPolarHBondContact OD1-CB 3.2Å; D472-Q474 PolarHBondContact OD1-N 3.04Å; Q474-N476 VanDerWaalsContact C-N 3.26Å; Q474-N476 PolarHBondContact O-N 3.29Å; Q474-P477 WeakPolarHBondContact O-CD 3.13Å; Q474-P477 WeakPolarHBondContact O-CG 3.22Å
475S94Very high96.1Very high75 Ų7527.6 Ų27.652%0.52415%0.146SC..THydrogen-bonded Turntrans-62.1-29.2172.471.20000114D472D472-S475 PolarHBondContact O-N 3.32Å; D472-S475 PolarHBondContact O-OG 3.3Å; D472-S475 PolarHBondContact OD1-N 3.33Å
476N94.7Very high96Very high43 Ų4327 Ų2723%0.2314%0.142CC..SBendtrans-14482.5173.9-169.8-20.1000111T469 P473 Q474 E478 L479 S480T469-N476 HydrophobicContact CG2-CB 4.48Å; P473-N476 CarbonylContact O-C 3.53Å; Q474-N476 VanDerWaalsContact C-N 3.26Å; Q474-N476 PolarHBondContact O-N 3.29Å; N476-E478 PolarHBondContact O-N 3.21Å; N476-L479 HydrophobicContact CB-CB 4.16Å; N476-L479 WeakPolarHBondContact ND2-CB 3.48Å; N476-L479 PolarHBondContact O-N 2.81Å; N476-L479 VanDerWaalsContact OD1-CB 3.3Å; N476-L479 WeakPolarHBondContact OD1-CB 3.1Å; N476-L479 PolarHBondContact OD1-N 3.22Å; N476-L479 VanDerWaalsContact OD1-N 3.08Å; N476-S480 PolarHBondContact O-N 2.97Å; N476-S480 PolarHBondContact O-OG 2.9Å; N476-S480 VanDerWaalsContact O-OG 3.12Å
477P95.8Very high96Very high47 Ų4727.5 Ų27.531%0.30515%0.145SC..Hα-helixtrans-62.8-38.3-175.3-24.736.1000113.3T177 L180 Q474 S480 I481T177-P477 HydrophobicContact CG2-CB 3.93Å; L180-P477 HydrophobicContact CD1-CB 3.72Å; L180-P477 HydrophobicContact CD1-CG 4.47Å; Q474-P477 WeakPolarHBondContact O-CD 3.13Å; Q474-P477 WeakPolarHBondContact O-CG 3.22Å; P477-S480 WeakPolarHBondContact O-CB 3.23Å; P477-S480 PolarHBondContact O-N 3.12Å; P477-I481 WeakPolarHBondContact O-CD1 3.01Å; P477-I481 VanDerWaalsContact O-CG1 3.28Å; P477-I481 WeakPolarHBondContact O-CG1 3.43Å; P477-I481 PolarHBondContact O-N 2.88Å
478E96.3Very high96Very high68 Ų6827.5 Ų27.532%0.31815%0.145SC..Hα-helixtrans-63.6-44.1-179.8-61-172.1140.900111S421 V424 N476 I481 F482S421-E478 WeakPolarHBondContact CA-OE2 3.2Å; S421-E478 WeakPolarHBondContact CB-OE2 3.42Å; S421-E478 PolarHBondContact OG-OE1 2.81Å; S421-E478 PolarHBondContact OG-OE2 3.11Å; V424-E478 HydrophobicContact CB-CG 4.38Å; V424-E478 HydrophobicContact CG2-CB 4.05Å; V424-E478 HydrophobicContact CG2-CG 4.31Å; N476-E478 PolarHBondContact O-N 3.21Å; E478-I481 PolarHBondContact O-N 3.36Å; E478-F482 WeakPolarHBondContact O-CB 3.48Å; E478-F482 PolarHBondContact O-N 3.32Å
479L97.1Very high96Very high1 Ų123 Ų231%0.00512%0.124CC..Hα-helixtrans-69.2-37.8176.9-174.552.1000111.6W416 S420 P465 T469 N476 I481 F482 L483W416-L479 HydrophobicContact CB-CD1 4.03Å; W416-L479 HydrophobicContact CB-CD2 3.75Å; W416-L479 HydrophobicContact CD2-CD1 4.22Å; W416-L479 HydrophobicContact CE3-CD1 3.59Å; W416-L479 HydrophobicContact CG-CD1 4.47Å; W416-L479 HydrophobicContact CG-CD2 4.43Å; W416-L479 HydrophobicContact CZ3-CD1 4.33Å; S420-L479 VanDerWaalsContact CB-CA 3.48Å; S420-L479 PolarHBondContact OG-N 3.2Å; P465-L479 HydrophobicContact CB-CD2 4.35Å; T469-L479 HydrophobicContact CG2-CB 4.09Å; T469-L479 HydrophobicContact CG2-CD2 4.48Å; T469-L479 HydrophobicContact CG2-CG 4.05Å; T469-L479 WeakPolarHBondContact OG1-CD2 3.34Å; N476-L479 HydrophobicContact CB-CB 4.16Å; N476-L479 WeakPolarHBondContact ND2-CB 3.48Å; N476-L479 PolarHBondContact O-N 2.81Å; N476-L479 VanDerWaalsContact OD1-CB 3.3Å; N476-L479 WeakPolarHBondContact OD1-CB 3.1Å; N476-L479 PolarHBondContact OD1-N 3.22Å; N476-L479 VanDerWaalsContact OD1-N 3.08Å; L479-I481 VanDerWaalsContact C-N 3.33Å; L479-I481 PolarHBondContact O-N 2.95Å; L479-F482 HydrophobicContact CD1-CD1 4.29Å; L479-F482 PolarHBondContact O-N 2.99Å; L479-L483 HydrophobicContact CD1-CD1 4.09Å; L479-L483 HydrophobicContact CD1-CD2 4.5Å; L479-L483 HydrophobicContact CD1-CG 3.99Å; L479-L483 HydrophobicContact CG-CD1 3.95Å; L479-L483 HydrophobicContact CG-CG 4.34Å; L479-L483 VanDerWaalsContact O-CB 3.32Å; L479-L483 WeakPolarHBondContact O-CB 3.34Å; L479-L483 WeakPolarHBondContact O-CG 3.44Å; L479-L483 PolarHBondContact O-N 3.07Å
480S96.1Very high96Very high10 Ų1022.7 Ų22.77%0.0712%0.122CC..Hα-helixtrans-57.8-45.2172.2-670000112.4T469 P473 N476 P477 K484T469-S480 WeakPolarHBondContact CG2-OG 3.36Å; P473-S480 WeakPolarHBondContact CA-OG 3.35Å; P473-S480 WeakPolarHBondContact CB-OG 3.44Å; P473-S480 PolarHBondContact O-OG 3.34Å; N476-S480 PolarHBondContact O-N 2.97Å; N476-S480 PolarHBondContact O-OG 2.9Å; N476-S480 VanDerWaalsContact O-OG 3.12Å; P477-S480 WeakPolarHBondContact O-CB 3.23Å; P477-S480 PolarHBondContact O-N 3.12Å; S480-K484 PolarHBondContact O-N 3.28Å
481I95.4Very high95.9Very high3 Ų322.7 Ų22.72%0.01512%0.122CC..Hα-helixtrans-63.5-50.6176.1-71.6159.2000110.4L175 T177 F423 V424 P477 E478 L479 L483 K484 H485L175-I481 HydrophobicContact CB-CG2 4.2Å; L175-I481 HydrophobicContact CD2-CG2 3.53Å; L175-I481 HydrophobicContact CG-CG2 4.48Å; L175-I481 VanDerWaalsContact O-CD1 3.23Å; L175-I481 WeakPolarHBondContact O-CD1 3.35Å; T177-I481 HydrophobicContact CG2-CD1 3.74Å; F423-I481 HydrophobicContact CE1-CG2 4.27Å; V424-I481 HydrophobicContact CG2-CB 4.46Å; V424-I481 HydrophobicContact CG2-CG2 4.15Å; P477-I481 WeakPolarHBondContact O-CD1 3.01Å; P477-I481 VanDerWaalsContact O-CG1 3.28Å; P477-I481 WeakPolarHBondContact O-CG1 3.43Å; P477-I481 PolarHBondContact O-N 2.88Å; E478-I481 PolarHBondContact O-N 3.36Å; L479-I481 VanDerWaalsContact C-N 3.33Å; L479-I481 PolarHBondContact O-N 2.95Å; I481-L483 VanDerWaalsContact C-N 3.31Å; I481-L483 PolarHBondContact O-N 3.09Å; I481-K484 WeakPolarHBondContact O-CB 3.42Å; I481-K484 PolarHBondContact O-N 3.09Å; I481-H485 PolarHBondContact O-CD2 3.07Å; I481-H485 VanDerWaalsContact O-CD2 3.28Å
482F96.9Very high95.4Very high0 Ų022.4 Ų22.40%012%0.121CC..Hα-helixtrans-58.7-42.9179.7179-125000112L406 W416 L419 F423 W435 I437 E478 L479 K484 H485 V486L406-F482 HydrophobicContact CD1-CE2 4.06Å; L406-F482 HydrophobicContact CD1-CZ 3.86Å; W416-F482 HydrophobicContact CE3-CE1 4.4Å; W416-F482 HydrophobicContact CZ3-CD1 4.45Å; W416-F482 HydrophobicContact CZ3-CE1 4.12Å; L419-F482 HydrophobicContact CD2-CE1 3.7Å; L419-F482 HydrophobicContact CD2-CZ 3.91Å; L419-F482 HydrophobicContact CG-CE1 3.95Å; L419-F482 HydrophobicContact CG-CZ 4.08Å; F423-F482 HydrophobicContact CB-CD2 3.93Å; F423-F482 HydrophobicContact CB-CE2 4.39Å; F423-F482 HydrophobicContact CD1-CB 3.96Å; F423-F482 AromaticContact CD1-CD2 3.67Å; F423-F482 HydrophobicContact CD1-CD2 3.67Å; F423-F482 HydrophobicContact CD1-CG 4.24Å; F423-F482 AromaticContact CD2-CD2 3.74Å; F423-F482 HydrophobicContact CD2-CD2 3.74Å; F423-F482 AromaticContact CD2-CE2 3.98Å; F423-F482 HydrophobicContact CD2-CE2 3.98Å; F423-F482 HydrophobicContact CE1-CB 4.39Å; F423-F482 HydrophobicContact CE1-CD2 4.05Å; F423-F482 HydrophobicContact CE2-CD2 4.12Å; F423-F482 HydrophobicContact CE2-CE2 4.44Å; F423-F482 AromaticContact CG-CD2 3.5Å; F423-F482 HydrophobicContact CG-CD2 3.5Å; F423-F482 VanDerWaalsContact CG-CD2 3.5Å; F423-F482 HydrophobicContact CG-CE2 4.11Å; F423-F482 HydrophobicContact CG-CG 4.33Å; F423-F482 HydrophobicContact CZ-CD2 4.27Å; W435-F482 HydrophobicContact CB-CE2 4.23Å; W435-F482 HydrophobicContact CG-CE2 4.2Å; I437-F482 HydrophobicContact CD1-CE1 3.84Å; I437-F482 HydrophobicContact CD1-CZ 3.83Å; E478-F482 WeakPolarHBondContact O-CB 3.48Å; E478-F482 PolarHBondContact O-N 3.32Å; L479-F482 HydrophobicContact CD1-CD1 4.29Å; L479-F482 PolarHBondContact O-N 2.99Å; F482-K484 PolarHBondContact O-N 3.24Å; F482-H485 PolarHBondContact O-N 2.95Å; F482-V486 HydrophobicContact CD1-CG2 4.32Å; F482-V486 HydrophobicContact CE1-CG2 3.99Å; F482-V486 HydrophobicContact CE2-CG2 4.2Å; F482-V486 HydrophobicContact CZ-CG2 3.93Å; F482-V486 PolarHBondContact O-N 3.45Å
483L96.7Very high94.7Very high1 Ų121.3 Ų21.31%0.00512%0.115CC..Hα-helixtrans-65.4-16.4176.2-69170.7000113.9W416 V466 T469 L479 I481 H485 N545 F547W416-L483 HydrophobicContact CH2-CD2 4.3Å; W416-L483 HydrophobicContact CZ3-CD2 3.97Å; V466-L483 HydrophobicContact CG1-CD1 3.89Å; V466-L483 HydrophobicContact CG1-CD2 3.95Å; T469-L483 HydrophobicContact CG2-CD1 4.12Å; L479-L483 HydrophobicContact CD1-CD1 4.09Å; L479-L483 HydrophobicContact CD1-CD2 4.5Å; L479-L483 HydrophobicContact CD1-CG 3.99Å; L479-L483 HydrophobicContact CG-CD1 3.95Å; L479-L483 HydrophobicContact CG-CG 4.34Å; L479-L483 VanDerWaalsContact O-CB 3.32Å; L479-L483 WeakPolarHBondContact O-CB 3.34Å; L479-L483 WeakPolarHBondContact O-CG 3.44Å; L479-L483 PolarHBondContact O-N 3.07Å; I481-L483 VanDerWaalsContact C-N 3.31Å; I481-L483 PolarHBondContact O-N 3.09Å; L483-H485 VanDerWaalsContact C-N 3.29Å; L483-N545 PolarHBondContact O-ND2 2.98Å; L483-N545 PolarHBondContact O-OD1 3.07Å; L483-F547 HydrophobicContact CB-CZ 4.26Å; L483-F547 HydrophobicContact CD2-CE1 4.5Å; L483-F547 HydrophobicContact CD2-CE2 4.44Å; L483-F547 HydrophobicContact CD2-CZ 3.81Å
484K94.5Very high93.7Very high52 Ų5221.7 Ų21.723%0.22612%0.117CC..Hα-helixtrans-71.1-24.4168.4-69.1177.7178.8-177.60112.4N165 D179 S480 I481 F482N165-K484 VanDerWaalsContact ND2-CA 3.26Å; N165-K484 WeakPolarHBondContact ND2-CA 3.15Å; N165-K484 PolarHBondContact ND2-O 3.48Å; D179-K484 PolarHBondContact O-NZ 3.45Å; S480-K484 PolarHBondContact O-N 3.28Å; I481-K484 WeakPolarHBondContact O-CB 3.42Å; I481-K484 PolarHBondContact O-N 3.09Å; F482-K484 PolarHBondContact O-N 3.24Å
485H95.4Very high93.1Very high14 Ų1416.9 Ų16.97%0.0659%0.094CC..Hα-helixtrans-101.6-7.1-178.7-59.6-72.2000113.8P174 F423 F429 W435 I481 F482 L483P174-H485 VanDerWaalsContact CB-CE1 3.48Å; P174-H485 WeakPolarHBondContact CB-CE1 3.38Å; P174-H485 PolarHBondContact O-NE2 3.19Å; F423-H485 AromaticContact CE1-CD2 3.76Å; F423-H485 HydrophobicContact CZ-CB 4.11Å; F423-H485 AromaticContact CZ-CD2 3.58Å; F423-H485 AromaticContact CZ-CG 3.95Å; F429-H485 AromaticContact CD2-CE1 3.4Å; F429-H485 WeakPolarHBondContact CD2-CE1 3.39Å; F429-H485 AromaticContact CD2-ND1 3.74Å; F429-H485 AromaticContact CE2-CE1 2.99Å; F429-H485 WeakPolarHBondContact CE2-CE1 3.43Å; F429-H485 AromaticContact CE2-ND1 3.66Å; F429-H485 AromaticContact CZ-CE1 3.94Å; W435-H485 PolarHBondContact N-O 3.03Å; W435-H485 VanDerWaalsContact N-O 3.09Å; I481-H485 PolarHBondContact O-CD2 3.07Å; I481-H485 VanDerWaalsContact O-CD2 3.28Å; F482-H485 PolarHBondContact O-N 2.95Å; L483-H485 VanDerWaalsContact C-N 3.29Å
486V97.1Very high92.2Very high1 Ų116.3 Ų16.31%0.0069%0.09CC..EExtended strand (participates in β ladder)trans-81.6134.9171.7175.20000111.3W435 I437 F482 N545 F547W435-V486 HydrophobicContact CB-CG2 4.22Å; W435-V486 CarbonylContact O-C 3.44Å; W435-V486 WeakPolarHBondContact O-CA 3.47Å; I437-V486 HydrophobicContact CD1-CG2 4.1Å; I437-V486 HydrophobicContact CG1-CG1 3.76Å; I437-V486 HydrophobicContact CG1-CG2 4.05Å; F482-V486 HydrophobicContact CD1-CG2 4.32Å; F482-V486 HydrophobicContact CE1-CG2 3.99Å; F482-V486 HydrophobicContact CE2-CG2 4.2Å; F482-V486 HydrophobicContact CZ-CG2 3.93Å; F482-V486 PolarHBondContact O-N 3.45Å; V486-N545 PolarHBondContact O-ND2 3.42Å; V486-F547 HydrophobicContact CB-CD1 4.41Å; V486-F547 HydrophobicContact CB-CE1 3.88Å; V486-F547 HydrophobicContact CG1-CD1 3.83Å; V486-F547 HydrophobicContact CG1-CE1 3.74Å; V486-F547 WeakPolarHBondContact O-CE1 3.44Å
487T96.1Very high91.1Very high10 Ų1018.1 Ų18.16%0.06110%0.096CC..EExtended strand (participates in β ladder)trans-108.1-16-178.854.70000114.2F164 E403 K434 W435 T548 R550F164-T487 HydrophobicContact CD1-CG2 4.17Å; F164-T487 HydrophobicContact CE1-CG2 4.12Å; E403-T487 VanDerWaalsContact OE1-CB 3.29Å; E403-T487 WeakPolarHBondContact OE1-CB 3.46Å; E403-T487 PolarHBondContact OE1-OG1 3.2Å; K434-T487 HydrophobicContact CB-CG2 3.74Å; K434-T487 HydrophobicContact CD-CG2 4.46Å; K434-T487 HydrophobicContact CG-CG2 4.12Å; W435-T487 PolarHBondContact O-N 3.21Å; W435-T487 PolarHBondContact O-OG1 3.31Å; T487-T548 PolarHBondContact O-N 3.08Å; T487-T548 PolarHBondContact O-OG1 3.41Å; T487-R550 PolarHBondContact OG1-NH2 3.1Å
488G97.3Very high89.7Confident0 Ų019.5 Ų19.50%010%0.099CC..EExtended strand (participates in β ladder)trans178.4-179.3-170.700000116I437 T548I437-G488 PolarHBondContact N-O 3.02Å; G488-T548 CarbonylContact C-O 3.57Å; G488-T548 WeakPolarHBondContact CA-O 3.32Å
489F98.3Very high88.1Confident0 Ų017.5 Ų17.50%09%0.092CC..EExtended strand (participates in β ladder)trans-126.3151.8176.6-74.3-88.8000111.4W416 I437 V439 I532 F547 T548 F549 R550W416-F489 AromaticContact CH2-CE1 3.87Å; W416-F489 HydrophobicContact CH2-CE1 3.87Å; W416-F489 AromaticContact CH2-CZ 3.91Å; W416-F489 HydrophobicContact CH2-CZ 3.91Å; W416-F489 AromaticContact CZ2-CE1 3.82Å; W416-F489 HydrophobicContact CZ2-CE1 3.82Å; W416-F489 HydrophobicContact CZ2-CZ 4.02Å; I437-F489 HydrophobicContact CB-CD1 3.77Å; I437-F489 HydrophobicContact CB-CE1 3.9Å; I437-F489 HydrophobicContact CG2-CD1 3.85Å; I437-F489 HydrophobicContact CG2-CE1 3.76Å; I437-F489 CarbonylContact O-C 3.55Å; I437-F489 VanDerWaalsContact O-CA 3.29Å; I437-F489 WeakPolarHBondContact O-CA 3.36Å; V439-F489 HydrophobicContact CG2-CD1 4.47Å; F489-I532 HydrophobicContact CB-CD1 3.64Å; F489-I532 HydrophobicContact CB-CG1 4.46Å; F489-I532 HydrophobicContact CD2-CD1 3.97Å; F489-I532 HydrophobicContact CD2-CG1 3.86Å; F489-I532 HydrophobicContact CE2-CG1 4.41Å; F489-I532 HydrophobicContact CG-CD1 3.97Å; F489-I532 HydrophobicContact CG-CG1 4.28Å; F489-F547 HydrophobicContact CD2-CB 3.86Å; F489-F547 HydrophobicContact CD2-CG 4.27Å; F489-F547 HydrophobicContact CE2-CB 3.99Å; F489-F547 AromaticContact CE2-CD2 3.8Å; F489-F547 HydrophobicContact CE2-CD2 3.8Å; F489-F547 HydrophobicContact CE2-CE2 4.45Å; F489-F547 AromaticContact CE2-CG 3.92Å; F489-F547 HydrophobicContact CE2-CG 3.92Å; F489-T548 PolarHBondContact N-O 2.77Å; F489-F549 HydrophobicContact CB-CD2 4.19Å; F489-F549 WeakPolarHBondContact O-CD2 3.42Å; F489-R550 PolarHBondContact O-N 3.38Å
490D97.1Very high86.3Confident0 Ų019.4 Ų19.40%011%0.112CC..EExtended strand (participates in β ladder)trans-138.1154.6179.7179.9-2.6000109.4R405 M436 I437 Q438 V439 R550 P551 H552R405-D490 WeakPolarHBondContact CD-OD2 3.1Å; R405-D490 IonicContact CZ-OD2 3.2Å; R405-D490 IonicContact NE-OD2 2.7Å; R405-D490 PolarHBondContact NE-OD2 2.73Å; R405-D490 IonicContact NH2-OD2 2.76Å; M436-D490 HydrophobicContact CE-CB 3.6Å; M436-D490 HydrophobicContact SD-CB 3.32Å; M436-D490 WeakPolarHBondContact SD-CB 3.39Å; I437-D490 PolarHBondContact O-N 2.74Å; Q438-D490 HydrophobicContact CB-CB 4.35Å; V439-D490 PolarHBondContact N-O 2.98Å; D490-R550 WeakPolarHBondContact CB-O 3.22Å; D490-P551 VanDerWaalsContact OD1-C 3.27Å; D490-P551 WeakPolarHBondContact OD1-CA 3.2Å; D490-H552 VanDerWaalsContact CG-ND1 3.29Å; D490-H552 IonicContact OD1-CE1 3.56Å; D490-H552 IonicContact OD1-CG 3.15Å; D490-H552 PolarHBondContact OD1-N 3.29Å; D490-H552 IonicContact OD1-ND1 2.84Å; D490-H552 PolarHBondContact OD1-ND1 3.34Å; D490-H552 IonicContact OD2-CE1 3.64Å; D490-H552 PolarHBondContact OD2-CE1 2.77Å; D490-H552 IonicContact OD2-ND1 3.66Å; D490-H552 PolarHBondContact OD2-ND1 3.1Å
491S93.4Very high85.1Confident0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-119.6121178.9-1740000107.3R441 H552R441-S491 VanDerWaalsContact CD-OG 3.29Å; R441-S491 WeakPolarHBondContact CD-OG 3.43Å; R441-S491 VanDerWaalsContact CG-OG 3.22Å; R441-S491 WeakPolarHBondContact CG-OG 3.49Å; R441-S491 VanDerWaalsContact NH1-C 3.29Å; R441-S491 PolarHBondContact NH1-O 2.92Å; R441-S491 PolarHBondContact NH1-OG 3.35Å; S491-H552 WeakPolarHBondContact O-CB 3.41Å; S491-H552 PolarHBondContact O-N 3.49Å; S491-H552 VanDerWaalsContact O-N 3.15Å
492V87.4Confident84.3Confident0 Ų024.7 Ų24.70%014%0.136CC..EExtended strand (participates in β ladder)trans-128.9130-171.7-58.50000111.7F352 Q438 V439 P440 R441 H552F352-V492 HydrophobicContact CE1-CG2 4.04Å; F352-V492 HydrophobicContact CE2-CB 4.21Å; F352-V492 HydrophobicContact CE2-CG2 4.11Å; F352-V492 HydrophobicContact CZ-CB 4.18Å; F352-V492 HydrophobicContact CZ-CG2 3.6Å; Q438-V492 HydrophobicContact CB-CG1 3.93Å; Q438-V492 HydrophobicContact CB-CG2 4.07Å; Q438-V492 HydrophobicContact CG-CG2 4.32Å; V439-V492 PolarHBondContact O-N 2.86Å; P440-V492 CarbonylContact C-O 3.59Å; P440-V492 WeakPolarHBondContact CA-O 3.47Å; P440-V492 HydrophobicContact CB-CG2 4.24Å; P440-V492 HydrophobicContact CG-CG2 3.93Å; R441-V492 PolarHBondContact N-O 3.47Å; V492-H552 WeakPolarHBondContact CG1-ND1 3.19Å
493D80.7Confident83.8Confident12 Ų1224.9 Ų24.96%0.06414%0.136CC..SBendtrans-174.6167.2156.7-171.425.6000106.8R441 E495 K497R441-D493 HydrophobicContact CB-CB 3.74Å; R441-D493 HydrophobicContact CG-CB 4.39Å; R441-D493 PolarHBondContact NH2-O 3.48Å; D493-E495 PolarHBondContact O-N 3.47Å; D493-K497 IonicContact OD1-NZ 2.79Å; D493-K497 PolarHBondContact OD1-NZ 3.01Å; D493-K497 WeakPolarHBondContact OD2-CD 3.08Å; D493-K497 IonicContact OD2-NZ 3.77Å; D493-K497 PolarHBondContact OD2-NZ 3.39Å
494D75.1Confident83.4Confident11 Ų1125.6 Ų25.66%0.05914%0.141CC..  trans-44.3107.3166.3175.9-0.3000112.3R351 F352 S496 K497R351-D494 VanDerWaalsContact CG-OD2 3.27Å; R351-D494 WeakPolarHBondContact CG-OD2 3.49Å; F352-D494 HydrophobicContact CB-CB 4.27Å; F352-D494 VanDerWaalsContact CB-N 3.26Å; D494-S496 VanDerWaalsContact C-N 3.27Å; D494-S496 PolarHBondContact O-N 3.28Å; D494-S496 WeakPolarHBondContact OD1-CA 3.18Å; D494-S496 VanDerWaalsContact OD1-CB 3.29Å; D494-S496 WeakPolarHBondContact OD1-CB 3.48Å; D494-S496 PolarHBondContact OD1-N 3.03Å; D494-S496 PolarHBondContact OD1-OG 3.34Å; D494-K497 HydrophobicContact CB-CD 3.96Å; D494-K497 HydrophobicContact CB-CG 4.12Å; D494-K497 PolarHBondContact O-N 2.98Å; D494-K497 WeakPolarHBondContact OD2-CE 3.34Å; D494-K497 WeakPolarHBondContact OD2-CG 3.44Å
495E79.1Confident83Confident6 Ų626 Ų263%0.02815%0.148CC..THydrogen-bonded Turntrans-77.4-10.7-179.3-68.3176.4-171.300113.5R441 D493 K497 C553 G554 E555 A556 G557R441-E495 IonicContact NH2-OE1 2.78Å; R441-E495 PolarHBondContact NH2-OE1 2.86Å; R441-E495 VanDerWaalsContact NH2-OE1 3.1Å; D493-E495 PolarHBondContact O-N 3.47Å; E495-K497 VanDerWaalsContact C-N 3.25Å; E495-K497 PolarHBondContact O-N 3.37Å; E495-C553 WeakPolarHBondContact OE1-CA 3.47Å; E495-C553 PolarHBondContact OE1-N 3.18Å; E495-C553 VanDerWaalsContact OE1-N 3.16Å; E495-G554 WeakPolarHBondContact OE2-CA 3.46Å; E495-G554 PolarHBondContact OE2-N 2.92Å; E495-E555 PolarHBondContact OE2-N 3.36Å; E495-A556 HydrophobicContact CB-CB 4.08Å; E495-A556 WeakPolarHBondContact CB-O 3.12Å; E495-A556 PolarHBondContact OE2-N 2.89Å; E495-G557 WeakPolarHBondContact O-CA 3.38Å; E495-G557 PolarHBondContact O-N 3.34Å
496S75.8Confident82.7Confident63 Ų6333.2 Ų33.244%0.44118%0.18SC..THydrogen-bonded Turntrans-73.8-17.7174.478.20000112.6D494 H498D494-S496 VanDerWaalsContact C-N 3.27Å; D494-S496 PolarHBondContact O-N 3.28Å; D494-S496 WeakPolarHBondContact OD1-CA 3.18Å; D494-S496 VanDerWaalsContact OD1-CB 3.29Å; D494-S496 WeakPolarHBondContact OD1-CB 3.48Å; D494-S496 PolarHBondContact OD1-N 3.03Å; D494-S496 PolarHBondContact OD1-OG 3.34Å; S496-H498 PolarHBondContact O-N 2.79Å
497K72.5Confident82.4Confident81 Ų8134.2 Ų34.235%0.35219%0.187SC..SBendtrans-66.298176.3-69.3173.1-172.1164.30111.4D493 D494 E495 S499D493-K497 IonicContact OD1-NZ 2.79Å; D493-K497 PolarHBondContact OD1-NZ 3.01Å; D493-K497 WeakPolarHBondContact OD2-CD 3.08Å; D493-K497 IonicContact OD2-NZ 3.77Å; D493-K497 PolarHBondContact OD2-NZ 3.39Å; D494-K497 HydrophobicContact CB-CD 3.96Å; D494-K497 HydrophobicContact CB-CG 4.12Å; D494-K497 PolarHBondContact O-N 2.98Å; D494-K497 WeakPolarHBondContact OD2-CE 3.34Å; D494-K497 WeakPolarHBondContact OD2-CG 3.44Å; E495-K497 VanDerWaalsContact C-N 3.25Å; E495-K497 PolarHBondContact O-N 3.37Å; K497-S499 PolarHBondContact O-N 3.08Å
498H65.4Low82.2Confident77 Ų7736.2 Ų36.236%0.35620%0.2SC..  trans-71.4103.2-170.4-145.895.3000113.4T25 E28 S496 G500T25-H498 WeakPolarHBondContact CG2-NE2 3.15Å; E28-H498 IonicContact OE2-CE1 2.74Å; E28-H498 PolarHBondContact OE2-CE1 3.43Å; E28-H498 IonicContact OE2-ND1 2.68Å; E28-H498 PolarHBondContact OE2-ND1 2.84Å; S496-H498 PolarHBondContact O-N 2.79Å; H498-G500 PolarHBondContact O-N 3.4Å
499S63.2Low82.1Confident25 Ų2538.9 Ų38.918%0.17521%0.211CC..  trans-79.583.8175.563.80000111.2K497 H501 S520K497-S499 PolarHBondContact O-N 3.08Å; S499-H501 PolarHBondContact O-N 3.03Å; S499-S520 VanDerWaalsContact OG-CA 3.3Å; S499-S520 WeakPolarHBondContact OG-CA 3.47Å; S499-S520 WeakPolarHBondContact OG-CB 3.14Å
500G59.7Low82Confident41 Ų4138.9 Ų38.942%0.42321%0.211SC..  trans-67.643.5-174.200000117.6H498H498-G500 PolarHBondContact O-N 3.4Å
501H69.7Low81.9Confident93 Ų9341.9 Ų41.943%0.43123%0.225SC..SBendtrans-140.6121.2171.3-60.9-52.9000110.1S499 K517 S520S499-H501 PolarHBondContact O-N 3.03Å; H501-K517 PolarHBondContact CD2-NZ 2.89Å; H501-K517 PolarHBondContact NE2-NZ 2.89Å; H501-S520 WeakPolarHBondContact O-CB 3.43Å; H501-S520 PolarHBondContact O-OG 3.31Å
502M79.5Confident82Confident32 Ų3247.7 Ų47.716%0.15825%0.253CS..  trans-63135.7169.5-176-168.1-92.500109.8E18 F21 I228 S504E18-M502 HydrophobicContact CG-CE 4.23Å; E18-M502 HydrophobicContact CG-SD 3.91Å; F21-M502 HydrophobicContact CB-CE 3.42Å; F21-M502 VanDerWaalsContact CB-CE 3.42Å; F21-M502 HydrophobicContact CD1-CB 3.89Å; F21-M502 HydrophobicContact CD1-CE 4.32Å; F21-M502 HydrophobicContact CD2-CE 4.12Å; F21-M502 HydrophobicContact CE1-CB 3.73Å; F21-M502 HydrophobicContact CE2-CB 4.41Å; F21-M502 HydrophobicContact CG-CB 4.31Å; F21-M502 HydrophobicContact CG-CE 3.72Å; F21-M502 HydrophobicContact CG-CG 4.49Å; F21-M502 HydrophobicContact CZ-CB 4.01Å; I228-M502 HydrophobicContact CD1-CE 4.22Å; M502-S504 PolarHBondContact O-N 3.38Å
503F86.7Confident82.4Confident3 Ų348.4 Ų48.41%0.01326%0.255CS..  trans-72.4122.6166.8-176-132.4000109.9Y217 F220 I221 M224 T522 Y523 Y526 Y527Y217-F503 HydrophobicContact CD2-CZ 4.49Å; Y217-F503 HydrophobicContact CE2-CE1 4.42Å; Y217-F503 AromaticContact CE2-CE2 3.99Å; Y217-F503 HydrophobicContact CE2-CE2 3.99Å; Y217-F503 AromaticContact CE2-CZ 3.62Å; Y217-F503 HydrophobicContact CE2-CZ 3.62Å; F220-F503 HydrophobicContact CD1-CD1 4.49Å; F220-F503 HydrophobicContact CD1-CE1 4.01Å; F220-F503 HydrophobicContact CE1-CD1 4.03Å; F220-F503 AromaticContact CE1-CE1 3.79Å; F220-F503 HydrophobicContact CE1-CE1 3.79Å; I221-F503 HydrophobicContact CD1-CD1 3.52Å; I221-F503 HydrophobicContact CD1-CE1 3.78Å; I221-F503 HydrophobicContact CD1-CG 4.08Å; M224-F503 WeakPolarHBondContact CE-O 3.32Å; F503-T522 HydrophobicContact CB-CG2 4Å; F503-T522 HydrophobicContact CD1-CG2 3.62Å; F503-T522 HydrophobicContact CG-CG2 4.24Å; F503-Y523 AromaticContact CD2-CD2 3.37Å; F503-Y523 HydrophobicContact CD2-CD2 3.37Å; F503-Y523 HydrophobicContact CD2-CE2 4.14Å; F503-Y523 AromaticContact CD2-CG 3.96Å; F503-Y523 HydrophobicContact CD2-CG 3.96Å; F503-Y523 AromaticContact CE2-CD2 3.39Å; F503-Y523 HydrophobicContact CE2-CD2 3.39Å; F503-Y523 AromaticContact CE2-CE2 3.85Å; F503-Y523 HydrophobicContact CE2-CE2 3.85Å; F503-Y523 AromaticContact CE2-CG 3.86Å; F503-Y523 HydrophobicContact CE2-CG 3.86Å; F503-Y523 HydrophobicContact CG-CD2 4.48Å; F503-Y523 HydrophobicContact CZ-CD2 4.5Å; F503-Y526 HydrophobicContact CE1-CD1 4.13Å; F503-Y526 HydrophobicContact CE1-CD2 4.38Å; F503-Y526 AromaticContact CE1-CG 3.74Å; F503-Y526 HydrophobicContact CE1-CG 3.74Å; F503-Y526 AromaticContact CZ-CD1 3.74Å; F503-Y526 HydrophobicContact CZ-CD1 3.74Å; F503-Y526 AromaticContact CZ-CG 3.85Å; F503-Y526 HydrophobicContact CZ-CG 3.85Å; F503-Y527 HydrophobicContact CE2-CE2 4.13Å; F503-Y527 HydrophobicContact CZ-CE2 4.06Å
504S87.9Confident83Confident16 Ų1652 Ų5211%0.11227%0.274CS..  trans-150.5173.5-175.872.80000111.2Y217 M502 K506 S507Y217-S504 PolarHBondContact OH-O 2.88Å; M502-S504 PolarHBondContact O-N 3.38Å; S504-K506 PolarHBondContact O-N 3.4Å; S504-K506 PolarHBondContact OG-N 3.03Å; S504-S507 PolarHBondContact N-OG 3.28Å; S504-S507 WeakPolarHBondContact O-CB 3.41Å; S504-S507 PolarHBondContact O-N 3.08Å; S504-S507 PolarHBondContact O-OG 3.29Å
505T86.3Confident83.9Confident60 Ų6055.4 Ų55.437%0.36829%0.292SS..THydrogen-bonded Turntrans-59.7-7.8174.361.10000115R14 I221R14-T505 PolarHBondContact NH1-OG1 3.41Å; R14-T505 PolarHBondContact NH2-OG1 3.37Å; I221-T505 HydrophobicContact CB-CG2 4.22Å; I221-T505 HydrophobicContact CG1-CG2 4.26Å; I221-T505 HydrophobicContact CG2-CG2 4.1Å
506K87.6Confident84.4Confident167 Ų16759.1 Ų59.173%0.72632%0.315SS*.THydrogen-bonded Turntrans-100.5-3.8175.1-58.7172.9-175164.40113.4S504S504-K506 PolarHBondContact O-N 3.4Å; S504-K506 PolarHBondContact OG-N 3.03Å
507S90.8Very high85.1Confident22 Ų2260.5 Ų60.515%0.15431%0.313CS..SBendtrans-68.8136.6175.3-600000110.2S504S504-S507 PolarHBondContact N-OG 3.28Å; S504-S507 WeakPolarHBondContact O-CB 3.41Å; S504-S507 PolarHBondContact O-N 3.08Å; S504-S507 PolarHBondContact O-OG 3.29Å
508P93.1Very high85.9Confident52 Ų5258 Ų5834%0.33830%0.303SS..PPolyproline II helixtrans-64.8155.8-179.726.9-33.4000111.2E512 W513 Y523P508-E512 HydrophobicContact CB-CB 3.85Å; P508-W513 HydrophobicContact CG-CD2 4.48Å; P508-W513 HydrophobicContact CG-CE3 3.72Å; P508-W513 HydrophobicContact CG-CZ3 4.16Å; P508-Y523 WeakPolarHBondContact O-CE2 3.47Å; P508-Y523 PolarHBondContact O-OH 3.38Å
509K95.1Very high87.1Confident56 Ų5654.5 Ų54.524%0.24329%0.287CS..PPolyproline II helixtrans-67.5159176.2-62.8-55.4-169.4175.40111.8D192 E511 E512 W513D192-K509 HydrophobicContact CB-CD 4.23Å; K509-E511 PolarHBondContact O-N 3.25Å; K509-E512 HydrophobicContact CB-CB 4.48Å; K509-E512 HydrophobicContact CB-CG 4.12Å; K509-E512 PolarHBondContact N-OE2 3.49Å; K509-E512 CarbonylContact O-C 3.58Å; K509-E512 WeakPolarHBondContact O-CA 3.49Å; K509-E512 WeakPolarHBondContact O-CB 3.31Å; K509-E512 PolarHBondContact O-N 3.02Å; K509-W513 PolarHBondContact O-N 3.12Å
510P96.2Very high88.5Confident0 Ų053.7 Ų53.70%028%0.282CS..THydrogen-bonded Turntrans-58.9-30.7-178.7-33.944.8000114.1H454 F455 G456 L459 E512 Y523 Y527H454-P510 PolarHBondContact ND1-O 3.31Å; F455-P510 HydrophobicContact CD1-CB 3.92Å; F455-P510 HydrophobicContact CD1-CG 4.28Å; F455-P510 PolarHBondContact N-O 3.19Å; G456-P510 VanDerWaalsContact CA-CB 3.47Å; G456-P510 VanDerWaalsContact N-C 3.29Å; G456-P510 PolarHBondContact N-O 2.89Å; L459-P510 HydrophobicContact CD1-CB 3.83Å; L459-P510 HydrophobicContact CD1-CG 3.91Å; P510-E512 VanDerWaalsContact C-N 3.33Å; P510-Y523 WeakPolarHBondContact CA-OH 3.23Å; P510-Y523 WeakPolarHBondContact CD-OH 3.13Å; P510-Y523 HydrophobicContact CG-CE1 3.99Å; P510-Y523 WeakPolarHBondContact CG-OH 3.27Å; P510-Y523 VanDerWaalsContact N-OH 3.11Å; P510-Y527 HydrophobicContact CG-CD1 3.96Å; P510-Y527 HydrophobicContact CG-CD2 3.95Å; P510-Y527 HydrophobicContact CG-CE1 3.7Å; P510-Y527 HydrophobicContact CG-CE2 3.69Å; P510-Y527 HydrophobicContact CG-CG 4.1Å
511E95.7Very high90Very high63 Ų6352.2 Ų52.229%0.29426%0.264SS..THydrogen-bonded Turntrans-69.3-29.1172.6-63.982.5172.700113D192 G193 H454 K509D192-E511 VanDerWaalsContact C-OE2 3.32Å; D192-E511 VanDerWaalsContact CA-OE2 3.22Å; D192-E511 WeakPolarHBondContact CA-OE2 3.23Å; D192-E511 PolarHBondContact N-OE1 3.39Å; D192-E511 PolarHBondContact N-OE2 3.46Å; G193-E511 PolarHBondContact N-OE1 3.23Å; G193-E511 PolarHBondContact N-OE2 3.01Å; G193-E511 VanDerWaalsContact N-OE2 3.08Å; H454-E511 WeakPolarHBondContact ND1-CA 3.3Å; K509-E511 PolarHBondContact O-N 3.25Å
512E95.5Very high91.1Very high122 Ų12248.2 Ų48.257%0.5725%0.246SC*.THydrogen-bonded Turntrans-90.9-14.9177.3-58.2172.5147.900112.5P508 K509 P510 D514P508-E512 HydrophobicContact CB-CB 3.85Å; K509-E512 HydrophobicContact CB-CB 4.48Å; K509-E512 HydrophobicContact CB-CG 4.12Å; K509-E512 PolarHBondContact N-OE2 3.49Å; K509-E512 CarbonylContact O-C 3.58Å; K509-E512 WeakPolarHBondContact O-CA 3.49Å; K509-E512 WeakPolarHBondContact O-CB 3.31Å; K509-E512 PolarHBondContact O-N 3.02Å; P510-E512 VanDerWaalsContact C-N 3.33Å; E512-D514 PolarHBondContact O-N 3.1Å
513W95.1Very high91.8Very high14 Ų1446.7 Ų46.75%0.05324%0.238CC..  trans-79.574.9175.6-161.8-64.5000109.9Y443 H454 F455 P508 K509 I515 K517 P519 Y523Y443-W513 AromaticContact CE1-CD1 3.72Å; Y443-W513 PolarHBondContact OH-O 3.42Å; H454-W513 WeakPolarHBondContact CA-O 3.11Å; F455-W513 HydrophobicContact CB-CB 4.03Å; F455-W513 HydrophobicContact CB-CG 4.34Å; F455-W513 PolarHBondContact N-O 3.03Å; P508-W513 HydrophobicContact CG-CD2 4.48Å; P508-W513 HydrophobicContact CG-CE3 3.72Å; P508-W513 HydrophobicContact CG-CZ3 4.16Å; K509-W513 PolarHBondContact O-N 3.12Å; W513-I515 HydrophobicContact CZ2-CD1 4.01Å; W513-I515 HydrophobicContact CZ2-CG1 4.45Å; W513-K517 PolarHBondContact NE1-O 3.02Å; W513-P519 HydrophobicContact CD2-CB 4.43Å; W513-P519 HydrophobicContact CD2-CG 4.02Å; W513-P519 HydrophobicContact CG-CG 4.21Å; W513-P519 HydrophobicContact CZ2-CB 4.25Å; W513-P519 HydrophobicContact CZ2-CG 4.3Å; W513-Y523 HydrophobicContact CE3-CD2 4.18Å; W513-Y523 AromaticContact CE3-CE2 3.61Å; W513-Y523 HydrophobicContact CE3-CE2 3.61Å; W513-Y523 AromaticContact CE3-CZ 3.89Å; W513-Y523 AromaticContact CZ3-CD2 4Å; W513-Y523 HydrophobicContact CZ3-CD2 4Å; W513-Y523 AromaticContact CZ3-CE2 3.81Å; W513-Y523 HydrophobicContact CZ3-CE2 3.81Å
514D93.8Very high92.2Very high87 Ų8746.7 Ų46.747%0.46524%0.238SC..  trans-98.2-5.4-179.383.3-31000113.5R447 H454 E512R447-D514 PolarHBondContact NE-O 2.79Å; R447-D514 PolarHBondContact NH2-O 2.92Å; H454-D514 HydrophobicContact CB-CB 4.36Å; E512-D514 PolarHBondContact O-N 3.1Å
515I92.8Very high92.6Very high83 Ų8345.9 Ų45.943%0.42623%0.233SC..SBendtrans-69.5154.3177.763.4175.8000111.7Y443 W513 K517Y443-I515 VanDerWaalsContact CE1-O 3.3Å; Y443-I515 WeakPolarHBondContact CE1-O 3.39Å; Y443-I515 PolarHBondContact OH-O 3.37Å; W513-I515 HydrophobicContact CZ2-CD1 4.01Å; W513-I515 HydrophobicContact CZ2-CG1 4.45Å; I515-K517 VanDerWaalsContact C-N 3.25Å; I515-K517 HydrophobicContact CD1-CB 3.96Å; I515-K517 HydrophobicContact CG1-CB 4.3Å; I515-K517 PolarHBondContact O-N 3.04Å
516V90.5Very high93Very high84 Ų8443.1 Ų43.151%0.50922%0.215SC..SBendtrans-69.8-21.1177.4-177.70000112.4D444 R447 N518D444-V516 VanDerWaalsContact CA-O 3.25Å; D444-V516 WeakPolarHBondContact CA-O 3.36Å; D444-V516 WeakPolarHBondContact CB-O 3.38Å; R447-V516 HydrophobicContact CG-CG2 4.22Å; V516-N518 PolarHBondContact O-N 3.11Å
517K90.2Very high93.5Very high92 Ų9235.3 Ų35.340%0.418%0.181SC..SBendtrans-67.6134.4179.5-170.2177.7179177.20110.9H501 W513 I515H501-K517 PolarHBondContact CD2-NZ 2.89Å; H501-K517 PolarHBondContact NE2-NZ 2.89Å; W513-K517 PolarHBondContact NE1-O 3.02Å; I515-K517 VanDerWaalsContact C-N 3.25Å; I515-K517 HydrophobicContact CD1-CB 3.96Å; I515-K517 HydrophobicContact CG1-CB 4.3Å; I515-K517 PolarHBondContact O-N 3.04Å
518N88.8Confident93.9Very high29 Ų2934.3 Ų34.316%0.15517%0.174CC..PPolyproline II helixtrans-59.8136.6176.3-148.66.4000111.8R441 D444 V516 Y524R441-N518 PolarHBondContact O-ND2 3.01Å; R441-N518 PolarHBondContact O-OD1 2.92Å; D444-N518 HydrophobicContact CB-CB 4.06Å; V516-N518 PolarHBondContact O-N 3.11Å; N518-Y524 VanDerWaalsContact OD1-CE2 3.31Å; N518-Y524 WeakPolarHBondContact OD1-CE2 3.4Å; N518-Y524 PolarHBondContact OD1-OH 3.09Å
519P91.7Very high94.1Very high3 Ų331.8 Ų31.82%0.01916%0.158CC..PPolyproline II helixtrans-56.6158.4165.7-23.531.8000112.2Y443 F455 W513 Y523 Y524Y443-P519 HydrophobicContact CD1-CG 4.42Å; F455-P519 HydrophobicContact CB-CG 4.35Å; F455-P519 HydrophobicContact CD1-CG 4.16Å; F455-P519 HydrophobicContact CD2-CG 3.82Å; F455-P519 HydrophobicContact CE1-CG 4.43Å; F455-P519 HydrophobicContact CE2-CG 4.12Å; F455-P519 HydrophobicContact CG-CG 3.84Å; F455-P519 HydrophobicContact CZ-CG 4.41Å; W513-P519 HydrophobicContact CD2-CB 4.43Å; W513-P519 HydrophobicContact CD2-CG 4.02Å; W513-P519 HydrophobicContact CG-CG 4.21Å; W513-P519 HydrophobicContact CZ2-CB 4.25Å; W513-P519 HydrophobicContact CZ2-CG 4.3Å; P519-Y523 HydrophobicContact CB-CD1 3.72Å; P519-Y523 HydrophobicContact CB-CE1 4.34Å; P519-Y523 HydrophobicContact CB-CG 3.86Å; P519-Y523 HydrophobicContact CG-CD1 4.4Å; P519-Y524 HydrophobicContact CB-CD2 4.09Å; P519-Y524 HydrophobicContact CB-CE2 3.96Å; P519-Y524 HydrophobicContact CG-CE2 4.18Å
520S91.5Very high94.2Very high8 Ų829.1 Ų29.16%0.05615%0.146CC..PPolyproline II helixtrans-72.7156.7177.555.70000112.7S499 H501 T522 Y523 Y524S499-S520 VanDerWaalsContact OG-CA 3.3Å; S499-S520 WeakPolarHBondContact OG-CA 3.47Å; S499-S520 WeakPolarHBondContact OG-CB 3.14Å; H501-S520 WeakPolarHBondContact O-CB 3.43Å; H501-S520 PolarHBondContact O-OG 3.31Å; S520-T522 VanDerWaalsContact C-N 3.29Å; S520-T522 PolarHBondContact O-N 3.09Å; S520-Y523 WeakPolarHBondContact O-CA 3.11Å; S520-Y523 WeakPolarHBondContact O-CB 3.26Å; S520-Y523 PolarHBondContact O-N 3.43Å; S520-Y524 PolarHBondContact O-N 3.44Å; S520-Y524 VanDerWaalsContact O-N 3.12Å
521Y91.7Very high94.3Very high11 Ų1129.1 Ų29.14%0.04315%0.146CC..Hα-helixtrans-49-50.3179.8176.9-83.2000112Y523 Y524 I525 H552 C553 H561 A564Y521-Y523 VanDerWaalsContact C-N 3.26Å; Y521-Y523 PolarHBondContact O-N 3.45Å; Y521-Y524 WeakPolarHBondContact O-CB 3.05Å; Y521-Y524 PolarHBondContact O-N 2.73Å; Y521-Y524 VanDerWaalsContact O-N 3.16Å; Y521-I525 HydrophobicContact CD1-CG1 3.72Å; Y521-I525 HydrophobicContact CE1-CB 4.47Å; Y521-I525 HydrophobicContact CE1-CD1 4.02Å; Y521-I525 HydrophobicContact CE1-CG1 3.29Å; Y521-I525 HydrophobicContact CE2-CD1 4.41Å; Y521-I525 HydrophobicContact CE2-CG1 4.37Å; Y521-I525 HydrophobicContact CG-CG1 4.4Å; Y521-I525 WeakPolarHBondContact O-CG1 3.1Å; Y521-I525 PolarHBondContact O-N 2.99Å; Y521-H552 PolarHBondContact OH-O 3.37Å; Y521-H552 VanDerWaalsContact OH-O 3.1Å; Y521-C553 WeakPolarHBondContact OH-CB 3.47Å; Y521-C553 PolarHBondContact OH-SG 3Å; Y521-H561 VanDerWaalsContact CB-CD2 3.41Å; Y521-H561 WeakPolarHBondContact CB-CD2 3.42Å; Y521-H561 WeakPolarHBondContact CB-NE2 3.45Å; Y521-H561 HydrophobicContact CD1-CB 3.61Å; Y521-H561 AromaticContact CD1-CD2 3.61Å; Y521-H561 AromaticContact CD1-CG 3.62Å; Y521-H561 HydrophobicContact CD2-CB 4.36Å; Y521-H561 AromaticContact CD2-CG 3.93Å; Y521-H561 AromaticContact CD2-ND1 3.94Å; Y521-H561 VanDerWaalsContact CE1-CA 3.47Å; Y521-H561 HydrophobicContact CE1-CB 3.55Å; Y521-H561 VanDerWaalsContact CE1-O 3.29Å; Y521-H561 WeakPolarHBondContact CE1-O 3.35Å; Y521-H561 HydrophobicContact CE2-CB 4.31Å; Y521-H561 HydrophobicContact CG-CB 4.05Å; Y521-H561 AromaticContact CG-CD2 3.49Å; Y521-H561 VanDerWaalsContact CG-CD2 3.49Å; Y521-H561 AromaticContact CG-CG 3.58Å; Y521-H561 AromaticContact CG-ND1 3.99Å; Y521-H561 AromaticContact CG-NE2 3.85Å; Y521-A564 HydrophobicContact CE1-CB 4.35Å
522T92.6Very high94.5Very high9 Ų926.1 Ų26.16%0.05513%0.132CC..Hα-helixtrans-58.5-35.7177.3-49.20000113.1F220 M224 F503 S520 I525 Y526 A564F220-T522 HydrophobicContact CE1-CG2 4.16Å; F220-T522 HydrophobicContact CZ-CG2 4.44Å; M224-T522 HydrophobicContact SD-CG2 3.45Å; M224-T522 WeakPolarHBondContact SD-CG2 3.43Å; F503-T522 HydrophobicContact CB-CG2 4Å; F503-T522 HydrophobicContact CD1-CG2 3.62Å; F503-T522 HydrophobicContact CG-CG2 4.24Å; S520-T522 VanDerWaalsContact C-N 3.29Å; S520-T522 PolarHBondContact O-N 3.09Å; T522-I525 PolarHBondContact O-N 3.43Å; T522-Y526 WeakPolarHBondContact O-CB 2.99Å; T522-Y526 PolarHBondContact O-N 2.86Å; T522-A564 HydrophobicContact CG2-CB 3.95Å
523Y94.2Very high94.6Very high0 Ų020.3 Ų20.30%011%0.105CC..Hα-helixtrans-63.6-48.7176.8-165-67.8000110.3F455 F503 P508 P510 W513 P519 S520 Y521 Y527F455-Y523 HydrophobicContact CD1-CD1 4.13Å; F455-Y523 AromaticContact CD1-CE1 3.58Å; F455-Y523 HydrophobicContact CD1-CE1 3.58Å; F455-Y523 AromaticContact CE1-CD1 3.8Å; F455-Y523 HydrophobicContact CE1-CD1 3.8Å; F455-Y523 AromaticContact CE1-CE1 3.67Å; F455-Y523 HydrophobicContact CE1-CE1 3.67Å; F503-Y523 AromaticContact CD2-CD2 3.37Å; F503-Y523 HydrophobicContact CD2-CD2 3.37Å; F503-Y523 HydrophobicContact CD2-CE2 4.14Å; F503-Y523 AromaticContact CD2-CG 3.96Å; F503-Y523 HydrophobicContact CD2-CG 3.96Å; F503-Y523 AromaticContact CE2-CD2 3.39Å; F503-Y523 HydrophobicContact CE2-CD2 3.39Å; F503-Y523 AromaticContact CE2-CE2 3.85Å; F503-Y523 HydrophobicContact CE2-CE2 3.85Å; F503-Y523 AromaticContact CE2-CG 3.86Å; F503-Y523 HydrophobicContact CE2-CG 3.86Å; F503-Y523 HydrophobicContact CG-CD2 4.48Å; F503-Y523 HydrophobicContact CZ-CD2 4.5Å; P508-Y523 WeakPolarHBondContact O-CE2 3.47Å; P508-Y523 PolarHBondContact O-OH 3.38Å; P510-Y523 WeakPolarHBondContact CA-OH 3.23Å; P510-Y523 WeakPolarHBondContact CD-OH 3.13Å; P510-Y523 HydrophobicContact CG-CE1 3.99Å; P510-Y523 WeakPolarHBondContact CG-OH 3.27Å; P510-Y523 VanDerWaalsContact N-OH 3.11Å; W513-Y523 HydrophobicContact CE3-CD2 4.18Å; W513-Y523 AromaticContact CE3-CE2 3.61Å; W513-Y523 HydrophobicContact CE3-CE2 3.61Å; W513-Y523 AromaticContact CE3-CZ 3.89Å; W513-Y523 AromaticContact CZ3-CD2 4Å; W513-Y523 HydrophobicContact CZ3-CD2 4Å; W513-Y523 AromaticContact CZ3-CE2 3.81Å; W513-Y523 HydrophobicContact CZ3-CE2 3.81Å; P519-Y523 HydrophobicContact CB-CD1 3.72Å; P519-Y523 HydrophobicContact CB-CE1 4.34Å; P519-Y523 HydrophobicContact CB-CG 3.86Å; P519-Y523 HydrophobicContact CG-CD1 4.4Å; S520-Y523 WeakPolarHBondContact O-CA 3.11Å; S520-Y523 WeakPolarHBondContact O-CB 3.26Å; S520-Y523 PolarHBondContact O-N 3.43Å; Y521-Y523 VanDerWaalsContact C-N 3.26Å; Y521-Y523 PolarHBondContact O-N 3.45Å; Y523-Y527 AromaticContact CD1-CD2 3.55Å; Y523-Y527 HydrophobicContact CD1-CD2 3.55Å; Y523-Y527 AromaticContact CD1-CE2 3.72Å; Y523-Y527 HydrophobicContact CD1-CE2 3.72Å; Y523-Y527 HydrophobicContact CD2-CE2 4.48Å; Y523-Y527 AromaticContact CE1-CD2 3.42Å; Y523-Y527 HydrophobicContact CE1-CD2 3.42Å; Y523-Y527 VanDerWaalsContact CE1-CD2 3.42Å; Y523-Y527 AromaticContact CE1-CE2 3.31Å; Y523-Y527 HydrophobicContact CE1-CE2 3.31Å; Y523-Y527 HydrophobicContact CE2-CE2 4.14Å; Y523-Y527 HydrophobicContact CG-CD2 4.36Å; Y523-Y527 HydrophobicContact CG-CE2 4.27Å; Y523-Y527 AromaticContact CZ-CE2 3.54Å; Y523-Y527 VanDerWaalsContact O-CD2 3.29Å; Y523-Y527 WeakPolarHBondContact O-CD2 3.42Å; Y523-Y527 PolarHBondContact O-N 2.91Å
524Y94.9Very high94.7Very high2 Ų220.2 Ų20.21%0.00811%0.106CC..Hα-helixtrans-56.9-52172.5-86.3-91.8000111.7R441 Y443 F455 M458 N518 P519 S520 Y521 Y526 Y527 M528R441-Y524 WeakPolarHBondContact CA-OH 3.49Å; R441-Y524 HydrophobicContact CB-CD1 4.27Å; R441-Y524 HydrophobicContact CB-CD2 4.4Å; R441-Y524 HydrophobicContact CB-CE1 3.88Å; R441-Y524 HydrophobicContact CB-CE2 4.03Å; R441-Y524 HydrophobicContact CB-CG 4.49Å; R441-Y524 HydrophobicContact CG-CD1 3.97Å; R441-Y524 HydrophobicContact CG-CD2 4.43Å; R441-Y524 HydrophobicContact CG-CE1 4.07Å; R441-Y524 HydrophobicContact CG-CG 4.13Å; R441-Y524 PolarHBondContact O-OH 2.7Å; Y443-Y524 WeakPolarHBondContact CB-OH 3.05Å; Y443-Y524 PolarHBondContact N-OH 2.79Å; F455-Y524 AromaticContact CE2-CD1 3.95Å; F455-Y524 HydrophobicContact CE2-CD1 3.95Å; F455-Y524 AromaticContact CE2-CE1 3.45Å; F455-Y524 HydrophobicContact CE2-CE1 3.45Å; F455-Y524 VanDerWaalsContact CE2-CE1 3.45Å; F455-Y524 HydrophobicContact CE2-CE2 4.28Å; F455-Y524 AromaticContact CE2-CZ 3.66Å; F455-Y524 AromaticContact CZ-CD1 3.71Å; F455-Y524 HydrophobicContact CZ-CD1 3.71Å; F455-Y524 HydrophobicContact CZ-CD2 4.49Å; F455-Y524 AromaticContact CZ-CE1 3.74Å; F455-Y524 HydrophobicContact CZ-CE1 3.74Å; F455-Y524 HydrophobicContact CZ-CG 4.11Å; M458-Y524 HydrophobicContact CE-CE1 4.17Å; N518-Y524 VanDerWaalsContact OD1-CE2 3.31Å; N518-Y524 WeakPolarHBondContact OD1-CE2 3.4Å; N518-Y524 PolarHBondContact OD1-OH 3.09Å; P519-Y524 HydrophobicContact CB-CD2 4.09Å; P519-Y524 HydrophobicContact CB-CE2 3.96Å; P519-Y524 HydrophobicContact CG-CE2 4.18Å; S520-Y524 PolarHBondContact O-N 3.44Å; S520-Y524 VanDerWaalsContact O-N 3.12Å; Y521-Y524 WeakPolarHBondContact O-CB 3.05Å; Y521-Y524 PolarHBondContact O-N 2.73Å; Y521-Y524 VanDerWaalsContact O-N 3.16Å; Y524-Y526 VanDerWaalsContact C-N 3.34Å; Y524-Y526 PolarHBondContact O-N 2.76Å; Y524-Y527 PolarHBondContact O-N 3.33Å; Y524-M528 WeakPolarHBondContact O-CB 3.19Å; Y524-M528 VanDerWaalsContact O-CG 3.32Å; Y524-M528 WeakPolarHBondContact O-CG 3.46Å; Y524-M528 PolarHBondContact O-N 3Å
525I95.7Very high94.9Very high0 Ų016 Ų160%08%0.084CC..Hα-helixtrans-56.9-45.9-177.7-70.7-49000111.5Y521 T522 Y529 F549 P551 A564 T568Y521-I525 HydrophobicContact CD1-CG1 3.72Å; Y521-I525 HydrophobicContact CE1-CB 4.47Å; Y521-I525 HydrophobicContact CE1-CD1 4.02Å; Y521-I525 HydrophobicContact CE1-CG1 3.29Å; Y521-I525 HydrophobicContact CE2-CD1 4.41Å; Y521-I525 HydrophobicContact CE2-CG1 4.37Å; Y521-I525 HydrophobicContact CG-CG1 4.4Å; Y521-I525 WeakPolarHBondContact O-CG1 3.1Å; Y521-I525 PolarHBondContact O-N 2.99Å; T522-I525 PolarHBondContact O-N 3.43Å; I525-Y529 WeakPolarHBondContact O-CB 3.04Å; I525-Y529 PolarHBondContact O-N 2.81Å; I525-F549 HydrophobicContact CD1-CE1 3.93Å; I525-F549 HydrophobicContact CD1-CZ 3.6Å; I525-F549 HydrophobicContact CG2-CE1 4.17Å; I525-P551 HydrophobicContact CD1-CB 3.77Å; I525-P551 HydrophobicContact CD1-CG 4Å; I525-A564 HydrophobicContact CB-CB 4.31Å; I525-A564 HydrophobicContact CG2-CB 3.85Å; I525-T568 HydrophobicContact CG2-CG2 4.05Å; I525-T568 WeakPolarHBondContact CG2-OG1 3.49Å
526Y96.5Very high95.1Very high2 Ų212.1 Ų12.11%0.0086%0.063CC..Hα-helixtrans-60.3-55.3177.8173.3-96.9000112.3P215 Y217 F220 F503 T522 Y524 M528 Y529 A530P215-Y526 HydrophobicContact CB-CE2 4.41Å; P215-Y526 HydrophobicContact CG-CE2 4.31Å; Y217-Y526 HydrophobicContact CD2-CD1 4.49Å; Y217-Y526 AromaticContact CD2-CE1 3.79Å; Y217-Y526 HydrophobicContact CD2-CE1 3.79Å; Y217-Y526 HydrophobicContact CD2-CE2 4.49Å; Y217-Y526 AromaticContact CD2-CZ 3.8Å; Y217-Y526 HydrophobicContact CE2-CE1 4.32Å; F220-Y526 HydrophobicContact CB-CD2 4.03Å; F220-Y526 HydrophobicContact CB-CE2 3.82Å; F220-Y526 AromaticContact CD1-CD2 3.46Å; F220-Y526 HydrophobicContact CD1-CD2 3.46Å; F220-Y526 VanDerWaalsContact CD1-CD2 3.46Å; F220-Y526 HydrophobicContact CD1-CE2 4.09Å; F220-Y526 HydrophobicContact CD1-CG 4.19Å; F220-Y526 AromaticContact CD2-CD2 3.73Å; F220-Y526 HydrophobicContact CD2-CD2 3.73Å; F220-Y526 HydrophobicContact CD2-CE2 4.22Å; F220-Y526 AromaticContact CE1-CD2 3.79Å; F220-Y526 HydrophobicContact CE1-CD2 3.79Å; F220-Y526 HydrophobicContact CE1-CG 4.22Å; F220-Y526 HydrophobicContact CE2-CD2 4.03Å; F220-Y526 AromaticContact CG-CD2 3.44Å; F220-Y526 HydrophobicContact CG-CD2 3.44Å; F220-Y526 VanDerWaalsContact CG-CD2 3.44Å; F220-Y526 AromaticContact CG-CE2 3.77Å; F220-Y526 HydrophobicContact CG-CE2 3.77Å; F220-Y526 HydrophobicContact CZ-CD2 4.06Å; F503-Y526 HydrophobicContact CE1-CD1 4.13Å; F503-Y526 HydrophobicContact CE1-CD2 4.38Å; F503-Y526 AromaticContact CE1-CG 3.74Å; F503-Y526 HydrophobicContact CE1-CG 3.74Å; F503-Y526 AromaticContact CZ-CD1 3.74Å; F503-Y526 HydrophobicContact CZ-CD1 3.74Å; F503-Y526 AromaticContact CZ-CG 3.85Å; F503-Y526 HydrophobicContact CZ-CG 3.85Å; T522-Y526 WeakPolarHBondContact O-CB 2.99Å; T522-Y526 PolarHBondContact O-N 2.86Å; Y524-Y526 VanDerWaalsContact C-N 3.34Å; Y524-Y526 PolarHBondContact O-N 2.76Å; Y526-M528 PolarHBondContact O-N 3.17Å; Y526-Y529 PolarHBondContact O-N 2.86Å; Y526-A530 VanDerWaalsContact O-CB 3.22Å; Y526-A530 WeakPolarHBondContact O-CB 3.47Å; Y526-A530 PolarHBondContact O-N 3.47Å
527Y97.6Very high95.4Very high2 Ų28.7 Ų8.71%0.0084%0.042CC..Hα-helixtrans-70.7-31.1-175.2-72.8-72.9000112.6D192 L194 L459 F503 P510 Y523 Y524 N531D192-Y527 VanDerWaalsContact O-CE1 3.27Å; D192-Y527 WeakPolarHBondContact O-CE1 3.43Å; L194-Y527 HydrophobicContact CD2-CD1 3.96Å; L194-Y527 HydrophobicContact CD2-CE1 4.35Å; L459-Y527 HydrophobicContact CD1-CD1 4.34Å; L459-Y527 HydrophobicContact CD1-CG 4.01Å; F503-Y527 HydrophobicContact CE2-CE2 4.13Å; F503-Y527 HydrophobicContact CZ-CE2 4.06Å; P510-Y527 HydrophobicContact CG-CD1 3.96Å; P510-Y527 HydrophobicContact CG-CD2 3.95Å; P510-Y527 HydrophobicContact CG-CE1 3.7Å; P510-Y527 HydrophobicContact CG-CE2 3.69Å; P510-Y527 HydrophobicContact CG-CG 4.1Å; Y523-Y527 AromaticContact CD1-CD2 3.55Å; Y523-Y527 HydrophobicContact CD1-CD2 3.55Å; Y523-Y527 AromaticContact CD1-CE2 3.72Å; Y523-Y527 HydrophobicContact CD1-CE2 3.72Å; Y523-Y527 HydrophobicContact CD2-CE2 4.48Å; Y523-Y527 AromaticContact CE1-CD2 3.42Å; Y523-Y527 HydrophobicContact CE1-CD2 3.42Å; Y523-Y527 VanDerWaalsContact CE1-CD2 3.42Å; Y523-Y527 AromaticContact CE1-CE2 3.31Å; Y523-Y527 HydrophobicContact CE1-CE2 3.31Å; Y523-Y527 HydrophobicContact CE2-CE2 4.14Å; Y523-Y527 HydrophobicContact CG-CD2 4.36Å; Y523-Y527 HydrophobicContact CG-CE2 4.27Å; Y523-Y527 AromaticContact CZ-CE2 3.54Å; Y523-Y527 VanDerWaalsContact O-CD2 3.29Å; Y523-Y527 WeakPolarHBondContact O-CD2 3.42Å; Y523-Y527 PolarHBondContact O-N 2.91Å; Y524-Y527 PolarHBondContact O-N 3.33Å; Y527-N531 PolarHBondContact O-N 3.29Å; Y527-N531 PolarHBondContact O-ND2 3.24Å
528M97.9Very high95.7Very high1 Ų14.4 Ų4.41%0.0052%0.023CC..Hα-helixtrans-64.7-55170.5-73.2-173.570.800111.2V439 F463 Y524 Y526 A530 N531 I532 F549V439-M528 HydrophobicContact CB-CE 3.67Å; V439-M528 HydrophobicContact CB-SD 4.26Å; V439-M528 HydrophobicContact CG1-CE 4.3Å; V439-M528 HydrophobicContact CG1-SD 4.39Å; V439-M528 HydrophobicContact CG2-CE 3.69Å; F463-M528 HydrophobicContact CZ-CB 4.4Å; F463-M528 HydrophobicContact CZ-CG 4.43Å; Y524-M528 WeakPolarHBondContact O-CB 3.19Å; Y524-M528 VanDerWaalsContact O-CG 3.32Å; Y524-M528 WeakPolarHBondContact O-CG 3.46Å; Y524-M528 PolarHBondContact O-N 3Å; Y526-M528 PolarHBondContact O-N 3.17Å; M528-A530 VanDerWaalsContact C-N 3.33Å; M528-A530 PolarHBondContact O-N 3.09Å; M528-N531 PolarHBondContact O-N 2.84Å; M528-I532 WeakPolarHBondContact O-CD1 3.38Å; M528-I532 WeakPolarHBondContact O-CG1 3.29Å; M528-I532 PolarHBondContact O-N 3.24Å; M528-F549 HydrophobicContact CB-CE2 4.08Å; M528-F549 HydrophobicContact CB-CZ 3.91Å; M528-F549 HydrophobicContact CE-CE2 3.81Å; M528-F549 HydrophobicContact CE-CZ 4.48Å; M528-F549 HydrophobicContact SD-CE2 4.32Å; M528-F549 HydrophobicContact SD-CZ 4.42Å
529Y98.2Very high96Very high0 Ų03.3 Ų3.30%02%0.017CC..Hα-helixtrans-56.9-44.6179.4166.7-93000112.4Y130 A134 P215 I525 Y526 N531 I532 A533 F549 T568Y130-Y529 AromaticContact CD1-CE1 3.69Å; Y130-Y529 HydrophobicContact CD1-CE1 3.69Å; Y130-Y529 AromaticContact CD1-CZ 3.81Å; Y130-Y529 HydrophobicContact CE1-CE1 4.35Å; Y130-Y529 PolarHBondContact O-OH 3.39Å; A134-Y529 HydrophobicContact CB-CD2 4.46Å; A134-Y529 HydrophobicContact CB-CE2 3.58Å; P215-Y529 HydrophobicContact CB-CE1 4.22Å; P215-Y529 HydrophobicContact CG-CD1 4.39Å; P215-Y529 HydrophobicContact CG-CE1 4.09Å; I525-Y529 WeakPolarHBondContact O-CB 3.04Å; I525-Y529 PolarHBondContact O-N 2.81Å; Y526-Y529 PolarHBondContact O-N 2.86Å; Y529-N531 PolarHBondContact O-N 3.33Å; Y529-I532 PolarHBondContact O-N 3.18Å; Y529-A533 HydrophobicContact CE1-CB 4.34Å; Y529-A533 WeakPolarHBondContact O-CB 3.11Å; Y529-A533 PolarHBondContact O-N 3.21Å; Y529-F549 HydrophobicContact CD2-CD1 4.43Å; Y529-T568 HydrophobicContact CD1-CG2 3.81Å; Y529-T568 VanDerWaalsContact CD2-CB 3.5Å; Y529-T568 HydrophobicContact CD2-CG2 3.99Å; Y529-T568 VanDerWaalsContact CD2-O 3.27Å; Y529-T568 WeakPolarHBondContact CD2-O 3.42Å; Y529-T568 HydrophobicContact CG-CG2 3.55Å
530A97.9Very high96.2Very high0 Ų09.1 Ų9.10%04%0.039CC..Hα-helixtrans-63.2-42.5-177.200000112.3L194 P215 Y526 M528 A533 V534L194-A530 HydrophobicContact CD2-CB 3.45Å; L194-A530 VanDerWaalsContact CD2-CB 3.45Å; P215-A530 HydrophobicContact CG-CB 3.41Å; P215-A530 VanDerWaalsContact CG-CB 3.41Å; Y526-A530 VanDerWaalsContact O-CB 3.22Å; Y526-A530 WeakPolarHBondContact O-CB 3.47Å; Y526-A530 PolarHBondContact O-N 3.47Å; M528-A530 VanDerWaalsContact C-N 3.33Å; M528-A530 PolarHBondContact O-N 3.09Å; A530-A533 PolarHBondContact O-N 3.21Å; A530-V534 WeakPolarHBondContact O-CG2 3.36Å; A530-V534 PolarHBondContact O-N 3.2Å
531N98.3Very high96.3Very high0 Ų013.6 Ų13.60%06%0.059CC..Hα-helixtrans-68.9-38.5175.3-76.5-65.7000112.1G193 M195 F463 Y527 M528 Y529 L535G193-N531 PolarHBondContact O-ND2 3.03Å; M195-N531 WeakPolarHBondContact CB-OD1 3.49Å; M195-N531 VanDerWaalsContact CG-OD1 3.3Å; M195-N531 WeakPolarHBondContact CG-OD1 3.46Å; M195-N531 PolarHBondContact N-OD1 3.31Å; F463-N531 HydrophobicContact CB-CB 4.41Å; F463-N531 HydrophobicContact CD1-CB 3.77Å; F463-N531 HydrophobicContact CD2-CB 3.58Å; F463-N531 HydrophobicContact CE1-CB 3.86Å; F463-N531 HydrophobicContact CE2-CB 3.67Å; F463-N531 HydrophobicContact CG-CB 3.64Å; F463-N531 HydrophobicContact CZ-CB 3.81Å; Y527-N531 PolarHBondContact O-N 3.29Å; Y527-N531 PolarHBondContact O-ND2 3.24Å; M528-N531 PolarHBondContact O-N 2.84Å; Y529-N531 PolarHBondContact O-N 3.33Å; N531-L535 WeakPolarHBondContact O-CB 3.46Å; N531-L535 PolarHBondContact O-N 2.89Å
532I98.4Very high96.4Very high0 Ų015.3 Ų15.30%07%0.065CC..Hα-helixtrans-62.9-42.1174.2-67.1161.6000111.1F463 F489 M528 Y529 L535 N536 F547 F549F463-I532 HydrophobicContact CE1-CG1 3.88Å; F463-I532 HydrophobicContact CZ-CG1 4.25Å; F489-I532 HydrophobicContact CB-CD1 3.64Å; F489-I532 HydrophobicContact CB-CG1 4.46Å; F489-I532 HydrophobicContact CD2-CD1 3.97Å; F489-I532 HydrophobicContact CD2-CG1 3.86Å; F489-I532 HydrophobicContact CE2-CG1 4.41Å; F489-I532 HydrophobicContact CG-CD1 3.97Å; F489-I532 HydrophobicContact CG-CG1 4.28Å; M528-I532 WeakPolarHBondContact O-CD1 3.38Å; M528-I532 WeakPolarHBondContact O-CG1 3.29Å; M528-I532 PolarHBondContact O-N 3.24Å; Y529-I532 PolarHBondContact O-N 3.18Å; I532-L535 PolarHBondContact O-N 3.32Å; I532-N536 WeakPolarHBondContact O-CB 3.27Å; I532-N536 PolarHBondContact O-N 2.83Å; I532-F547 HydrophobicContact CG2-CB 4.49Å; I532-F547 WeakPolarHBondContact CG2-O 3.49Å; I532-F549 HydrophobicContact CD1-CB 3.97Å; I532-F549 HydrophobicContact CD1-CD2 3.49Å; I532-F549 VanDerWaalsContact CD1-CD2 3.49Å; I532-F549 HydrophobicContact CD1-CE2 4.16Å; I532-F549 HydrophobicContact CD1-CG 3.83Å
533A97.8Very high96.4Very high0 Ų017.8 Ų17.80%09%0.092CC..Hα-helixtrans-62-51.2178.900000111.7L133 A134 Y529 A530 L535 N536 Q537L133-A533 HydrophobicContact CG-CB 4.33Å; A134-A533 HydrophobicContact CB-CB 4.05Å; Y529-A533 HydrophobicContact CE1-CB 4.34Å; Y529-A533 WeakPolarHBondContact O-CB 3.11Å; Y529-A533 PolarHBondContact O-N 3.21Å; A530-A533 PolarHBondContact O-N 3.21Å; A533-L535 VanDerWaalsContact C-N 3.31Å; A533-L535 PolarHBondContact O-N 2.84Å; A533-N536 PolarHBondContact O-N 3.18Å; A533-N536 VanDerWaalsContact O-N 3.15Å; A533-Q537 WeakPolarHBondContact O-CG 3.42Å; A533-Q537 PolarHBondContact O-N 3.34Å
534V97.3Very high96.4Very high11 Ų1119 Ų197%0.06710%0.098CC..Hα-helixtrans-64.4-36.3178.1179.50000111.6L212 H214 F467 A530 Q537 L538L212-V534 HydrophobicContact CB-CG1 4.39Å; L212-V534 HydrophobicContact CD1-CG1 4.09Å; H214-V534 HydrophobicContact CB-CG2 3.49Å; H214-V534 VanDerWaalsContact CB-CG2 3.49Å; F467-V534 HydrophobicContact CE1-CG1 4.09Å; F467-V534 HydrophobicContact CZ-CB 4.19Å; F467-V534 HydrophobicContact CZ-CG1 4.08Å; A530-V534 WeakPolarHBondContact O-CG2 3.36Å; A530-V534 PolarHBondContact O-N 3.2Å; V534-Q537 WeakPolarHBondContact O-CB 3.45Å; V534-Q537 PolarHBondContact O-N 2.83Å; V534-L538 PolarHBondContact O-N 3Å; V534-L538 VanDerWaalsContact O-N 3.15Å
535L97.9Very high96.5Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-62.3-43.7173.2179.959000111.3V466 F467 T470 N531 I532 A533 L538 R539 F547V466-L535 HydrophobicContact CB-CD2 4.33Å; V466-L535 HydrophobicContact CG1-CD1 4.28Å; V466-L535 HydrophobicContact CG1-CD2 3.62Å; F467-L535 HydrophobicContact CD1-CD1 4.28Å; F467-L535 HydrophobicContact CD2-CB 4.44Å; F467-L535 HydrophobicContact CD2-CD1 4.04Å; F467-L535 HydrophobicContact CE1-CB 4.31Å; F467-L535 HydrophobicContact CE1-CD1 4.35Å; F467-L535 HydrophobicContact CE2-CB 3.7Å; F467-L535 HydrophobicContact CE2-CD1 4.13Å; F467-L535 HydrophobicContact CE2-CG 4.34Å; F467-L535 HydrophobicContact CG-CD1 4.13Å; F467-L535 HydrophobicContact CZ-CB 3.63Å; F467-L535 HydrophobicContact CZ-CD1 4.3Å; T470-L535 HydrophobicContact CG2-CD1 4.29Å; N531-L535 WeakPolarHBondContact O-CB 3.46Å; N531-L535 PolarHBondContact O-N 2.89Å; I532-L535 PolarHBondContact O-N 3.32Å; A533-L535 VanDerWaalsContact C-N 3.31Å; A533-L535 PolarHBondContact O-N 2.84Å; L535-L538 PolarHBondContact O-N 3.07Å; L535-R539 HydrophobicContact CD1-CG 4.18Å; L535-R539 HydrophobicContact CG-CG 4.43Å; L535-R539 WeakPolarHBondContact O-CB 3.27Å; L535-R539 WeakPolarHBondContact O-CG 3.41Å; L535-R539 PolarHBondContact O-N 3.48Å; L535-F547 HydrophobicContact CD2-CD2 3.77Å; L535-F547 HydrophobicContact CD2-CE2 3.9Å; L535-F547 HydrophobicContact CG-CD2 4.35Å; L535-F547 HydrophobicContact CG-CE2 4.43Å
536N97.9Very high96.6Very high0 Ų018.9 Ų18.90%010%0.098CC..Hα-helixtrans-67.9-34.5178-71.4-13.1000112.2A134 Y135 I532 A533 R539 R540 T546 F547A134-N536 PolarHBondContact O-ND2 3.38Å; Y135-N536 HydrophobicContact CD2-CB 4.1Å; I532-N536 WeakPolarHBondContact O-CB 3.27Å; I532-N536 PolarHBondContact O-N 2.83Å; A533-N536 PolarHBondContact O-N 3.18Å; A533-N536 VanDerWaalsContact O-N 3.15Å; N536-R539 PolarHBondContact O-N 3.45Å; N536-R540 WeakPolarHBondContact O-CB 3.42Å; N536-R540 PolarHBondContact O-N 3.32Å; N536-T546 HydrophobicContact CB-CG2 3.98Å; N536-F547 PolarHBondContact ND2-N 3.36Å; N536-F547 PolarHBondContact ND2-O 2.91Å; N536-F547 PolarHBondContact OD1-N 3.09Å
537Q96.1Very high96.6Very high13 Ų1318.8 Ų18.86%0.06110%0.098CC..Hα-helixtrans-57.3-47.8169.4-66.1-66.6-30.800111.3L133 Y135 L212 P213 A533 V534 Q541L133-Q537 PolarHBondContact O-NE2 3.34Å; Y135-Q537 HydrophobicContact CE2-CG 4.42Å; Y135-Q537 VanDerWaalsContact CE2-NE2 3.29Å; Y135-Q537 PolarHBondContact OH-OE1 2.91Å; L212-Q537 HydrophobicContact CD2-CB 4.44Å; P213-Q537 HydrophobicContact CB-CG 4.24Å; P213-Q537 HydrophobicContact CG-CG 4.44Å; A533-Q537 WeakPolarHBondContact O-CG 3.42Å; A533-Q537 PolarHBondContact O-N 3.34Å; V534-Q537 WeakPolarHBondContact O-CB 3.45Å; V534-Q537 PolarHBondContact O-N 2.83Å; Q537-Q541 VanDerWaalsContact O-CG 3.29Å; Q537-Q541 WeakPolarHBondContact O-CG 3.44Å; Q537-Q541 PolarHBondContact O-N 3.36Å; Q537-Q541 VanDerWaalsContact O-N 3.09Å
538L96.3Very high96.6Very high1 Ų118.9 Ų18.91%0.00510%0.098CC..Hα-helixtrans-65.9-46.7177-177.663.8000112L184 Y186 V197 F467 T470 I471 V534 L535 R540 Q541 R542L184-L538 HydrophobicContact CD1-CD1 4.45Å; Y186-L538 HydrophobicContact CD2-CD1 4.39Å; Y186-L538 HydrophobicContact CE2-CD1 4.34Å; V197-L538 HydrophobicContact CG2-CD2 4.27Å; F467-L538 HydrophobicContact CD1-CD2 4.3Å; T470-L538 HydrophobicContact CG2-CB 4.46Å; T470-L538 HydrophobicContact CG2-CD2 3.63Å; T470-L538 HydrophobicContact CG2-CG 3.79Å; I471-L538 HydrophobicContact CD1-CD2 4.49Å; I471-L538 HydrophobicContact CG1-CD2 3.88Å; V534-L538 PolarHBondContact O-N 3Å; V534-L538 VanDerWaalsContact O-N 3.15Å; L535-L538 PolarHBondContact O-N 3.07Å; L538-R540 PolarHBondContact O-N 3.19Å; L538-Q541 PolarHBondContact O-N 3.35Å; L538-R542 WeakPolarHBondContact O-CG 3.48Å; L538-R542 PolarHBondContact O-N 3.3Å; L538-R542 VanDerWaalsContact O-N 3.12Å
539R96.6Very high96.6Very high7 Ų718.8 Ų18.83%0.02610%0.098CC..Hα-helixtrans-63.1-41.7-179.6-70.4-177.376.387.2-2.3112T470 L535 N536 R542 G543 L544 N545T470-R539 HydrophobicContact CG2-CG 3.46Å; T470-R539 VanDerWaalsContact CG2-CG 3.46Å; T470-R539 PolarHBondContact OG1-NH1 3.44Å; L535-R539 HydrophobicContact CD1-CG 4.18Å; L535-R539 HydrophobicContact CG-CG 4.43Å; L535-R539 WeakPolarHBondContact O-CB 3.27Å; L535-R539 WeakPolarHBondContact O-CG 3.41Å; L535-R539 PolarHBondContact O-N 3.48Å; N536-R539 PolarHBondContact O-N 3.45Å; R539-R542 CarbonylContact O-C 3.42Å; R539-R542 WeakPolarHBondContact O-CA 3.4Å; R539-R542 PolarHBondContact O-N 2.77Å; R539-R542 VanDerWaalsContact O-N 3.09Å; R539-G543 PolarHBondContact O-N 2.81Å; R539-G543 VanDerWaalsContact O-N 3.15Å; R539-L544 HydrophobicContact CB-CB 4.06Å; R539-L544 HydrophobicContact CG-CB 4.45Å; R539-L544 PolarHBondContact O-N 3.42Å; R539-N545 PolarHBondContact NE-O 2.97Å; R539-N545 PolarHBondContact NH2-OD1 3.15Å
540R94.7Very high96.6Very high124 Ų12419.8 Ų19.847%0.46810%0.102SC..Hα-helixtrans-63-42174.7-172.264.7160.7152.3-4.6112.1Y135 V163 N536 L538 R542 G543 T546Y135-R540 HydrophobicContact CD1-CG 4.27Å; Y135-R540 HydrophobicContact CD2-CB 4.28Å; Y135-R540 HydrophobicContact CE1-CG 3.84Å; Y135-R540 HydrophobicContact CE2-CB 3.89Å; Y135-R540 HydrophobicContact CE2-CG 4.05Å; V163-R540 VanDerWaalsContact CG2-NH1 3.28Å; N536-R540 WeakPolarHBondContact O-CB 3.42Å; N536-R540 PolarHBondContact O-N 3.32Å; L538-R540 PolarHBondContact O-N 3.19Å; R540-R542 PolarHBondContact O-N 3.12Å; R540-G543 PolarHBondContact O-N 3.07Å; R540-G543 VanDerWaalsContact O-N 3.11Å; R540-T546 HydrophobicContact CB-CG2 4.31Å
541Q93.9Very high96.5Very high102 Ų10219.8 Ų19.848%0.47710%0.102SC..Hα-helixtrans-61.3-27.3173.2-75.3174.521.800112.9Q537 L538Q537-Q541 VanDerWaalsContact O-CG 3.29Å; Q537-Q541 WeakPolarHBondContact O-CG 3.44Å; Q537-Q541 PolarHBondContact O-N 3.36Å; Q537-Q541 VanDerWaalsContact O-N 3.09Å; L538-Q541 PolarHBondContact O-N 3.35Å
542R93.3Very high96.2Very high48 Ų4820.4 Ų20.418%0.18111%0.105CC..THydrogen-bonded Turntrans-88.8-3.9175.1-64.8-155.973.9154.313.7115.1P181 E182 L184 T470 I471 L538 R539 R540 L544P181-R542 VanDerWaalsContact CB-NH2 3.35Å; E182-R542 PolarHBondContact O-NH2 3.45Å; L184-R542 HydrophobicContact CD1-CG 4.09Å; T470-R542 WeakPolarHBondContact O-CD 3.44Å; T470-R542 PolarHBondContact O-NH1 3.21Å; I471-R542 PolarHBondContact O-NH1 3.19Å; L538-R542 WeakPolarHBondContact O-CG 3.48Å; L538-R542 PolarHBondContact O-N 3.3Å; L538-R542 VanDerWaalsContact O-N 3.12Å; R539-R542 CarbonylContact O-C 3.42Å; R539-R542 WeakPolarHBondContact O-CA 3.4Å; R539-R542 PolarHBondContact O-N 2.77Å; R539-R542 VanDerWaalsContact O-N 3.09Å; R540-R542 PolarHBondContact O-N 3.12Å; R542-L544 HydrophobicContact CB-CD1 3.94Å; R542-L544 HydrophobicContact CB-CG 3.87Å; R542-L544 PolarHBondContact O-N 3.35Å
543G93.1Very high95.9Very high61 Ų6120.4 Ų20.463%0.62911%0.105SC*.THydrogen-bonded Turntrans70.415.8-171.100000114.7R539 R540R539-G543 PolarHBondContact O-N 2.81Å; R539-G543 VanDerWaalsContact O-N 3.15Å; R540-G543 PolarHBondContact O-N 3.07Å; R540-G543 VanDerWaalsContact O-N 3.11Å
544L94.9Very high95.5Very high24 Ų2420.5 Ų20.513%0.12611%0.105CC..PPolyproline II helixtrans-84.4161176.5-62.1173.1000111.3P181 T470 R539 R542P181-L544 HydrophobicContact CG-CD2 4.49Å; T470-L544 HydrophobicContact CG2-CD1 4.36Å; R539-L544 HydrophobicContact CB-CB 4.06Å; R539-L544 HydrophobicContact CG-CB 4.45Å; R539-L544 PolarHBondContact O-N 3.42Å; R542-L544 HydrophobicContact CB-CD1 3.94Å; R542-L544 HydrophobicContact CB-CG 3.87Å; R542-L544 PolarHBondContact O-N 3.35Å
545N95.8Very high94.9Very high1 Ų121.5 Ų21.51%0.00511%0.11CC..PPolyproline II helixtrans-57.4144.8169.962.4-57.1000112.4V163 N165 L483 V486 R539 F547V163-N545 CarbonylContact O-C 3.57Å; V163-N545 WeakPolarHBondContact O-CA 3.44Å; V163-N545 VanDerWaalsContact O-CB 3.25Å; V163-N545 WeakPolarHBondContact O-CB 3.45Å; N165-N545 WeakPolarHBondContact ND2-CB 3.32Å; N165-N545 PolarHBondContact ND2-OD1 3.36Å; L483-N545 PolarHBondContact O-ND2 2.98Å; L483-N545 PolarHBondContact O-OD1 3.07Å; V486-N545 PolarHBondContact O-ND2 3.42Å; R539-N545 PolarHBondContact NE-O 2.97Å; R539-N545 PolarHBondContact NH2-OD1 3.15Å; N545-F547 WeakPolarHBondContact ND2-CE1 3.41Å
546T97.4Very high94.1Very high0 Ų022 Ų220%011%0.113CC..PPolyproline II helixtrans-101.3161.5174.158.80000110.8V163 N536 R540V163-T546 HydrophobicContact CB-CG2 4.26Å; V163-T546 HydrophobicContact CG2-CG2 4.17Å; V163-T546 PolarHBondContact N-OG1 2.87Å; V163-T546 PolarHBondContact O-N 2.8Å; N536-T546 HydrophobicContact CB-CG2 3.98Å; R540-T546 HydrophobicContact CB-CG2 4.31Å
547F98.1Very high93.4Very high0 Ų022.5 Ų22.50%012%0.118CC..  trans-109.5120.8-177-56.5-56000111.2V466 L483 V486 F489 I532 L535 N536 N545V466-F547 HydrophobicContact CG1-CE2 4.15Å; L483-F547 HydrophobicContact CB-CZ 4.26Å; L483-F547 HydrophobicContact CD2-CE1 4.5Å; L483-F547 HydrophobicContact CD2-CE2 4.44Å; L483-F547 HydrophobicContact CD2-CZ 3.81Å; V486-F547 HydrophobicContact CB-CD1 4.41Å; V486-F547 HydrophobicContact CB-CE1 3.88Å; V486-F547 HydrophobicContact CG1-CD1 3.83Å; V486-F547 HydrophobicContact CG1-CE1 3.74Å; V486-F547 WeakPolarHBondContact O-CE1 3.44Å; F489-F547 HydrophobicContact CD2-CB 3.86Å; F489-F547 HydrophobicContact CD2-CG 4.27Å; F489-F547 HydrophobicContact CE2-CB 3.99Å; F489-F547 AromaticContact CE2-CD2 3.8Å; F489-F547 HydrophobicContact CE2-CD2 3.8Å; F489-F547 HydrophobicContact CE2-CE2 4.45Å; F489-F547 AromaticContact CE2-CG 3.92Å; F489-F547 HydrophobicContact CE2-CG 3.92Å; I532-F547 HydrophobicContact CG2-CB 4.49Å; I532-F547 WeakPolarHBondContact CG2-O 3.49Å; L535-F547 HydrophobicContact CD2-CD2 3.77Å; L535-F547 HydrophobicContact CD2-CE2 3.9Å; L535-F547 HydrophobicContact CG-CD2 4.35Å; L535-F547 HydrophobicContact CG-CE2 4.43Å; N536-F547 PolarHBondContact ND2-N 3.36Å; N536-F547 PolarHBondContact ND2-O 2.91Å; N536-F547 PolarHBondContact OD1-N 3.09Å; N545-F547 WeakPolarHBondContact ND2-CE1 3.41Å
548T97.5Very high92.7Very high3 Ų322.1 Ų22.12%0.01812%0.118CC..EExtended strand (participates in β ladder)trans-70.8140.8171.851.50000110.9P162 F164 T487 G488 F489 R550 D570P162-T548 HydrophobicContact CB-CG2 4Å; P162-T548 HydrophobicContact CG-CG2 3.7Å; F164-T548 HydrophobicContact CZ-CG2 4.15Å; T487-T548 PolarHBondContact O-N 3.08Å; T487-T548 PolarHBondContact O-OG1 3.41Å; G488-T548 CarbonylContact C-O 3.57Å; G488-T548 WeakPolarHBondContact CA-O 3.32Å; F489-T548 PolarHBondContact N-O 2.77Å; T548-R550 PolarHBondContact OG1-NE 3.49Å; T548-R550 PolarHBondContact OG1-NH2 3.46Å; T548-D570 HydrophobicContact CG2-CB 4.39Å
549F98Very high92Very high0 Ų023.4 Ų23.40%013%0.125CC..EExtended strand (participates in β ladder)trans-98.6117.6171-173.8-134.6000111.2Q136 F489 I525 M528 Y529 I532 P551 A569 D570Q136-F549 VanDerWaalsContact OE1-CB 3.23Å; F489-F549 HydrophobicContact CB-CD2 4.19Å; F489-F549 WeakPolarHBondContact O-CD2 3.42Å; I525-F549 HydrophobicContact CD1-CE1 3.93Å; I525-F549 HydrophobicContact CD1-CZ 3.6Å; I525-F549 HydrophobicContact CG2-CE1 4.17Å; M528-F549 HydrophobicContact CB-CE2 4.08Å; M528-F549 HydrophobicContact CB-CZ 3.91Å; M528-F549 HydrophobicContact CE-CE2 3.81Å; M528-F549 HydrophobicContact CE-CZ 4.48Å; M528-F549 HydrophobicContact SD-CE2 4.32Å; M528-F549 HydrophobicContact SD-CZ 4.42Å; Y529-F549 HydrophobicContact CD2-CD1 4.43Å; I532-F549 HydrophobicContact CD1-CB 3.97Å; I532-F549 HydrophobicContact CD1-CD2 3.49Å; I532-F549 VanDerWaalsContact CD1-CD2 3.49Å; I532-F549 HydrophobicContact CD1-CE2 4.16Å; I532-F549 HydrophobicContact CD1-CG 3.83Å; F549-P551 HydrophobicContact CE1-CG 4.21Å; F549-P551 HydrophobicContact CE2-CB 4.33Å; F549-P551 HydrophobicContact CZ-CB 4.09Å; F549-P551 HydrophobicContact CZ-CG 4.18Å; F549-A569 CarbonylContact O-C 3.49Å; F549-A569 WeakPolarHBondContact O-CA 3.25Å; F549-D570 PolarHBondContact O-N 3.09Å
550R97.1Very high91.4Very high21 Ų2123.4 Ų23.48%0.07913%0.125CC..  trans-138.170.4-170.7-67.7-176.5-75.4144-5.5112.1E403 M436 T487 F489 D490 T548 D570 N571E403-R550 VanDerWaalsContact CD-NH2 3.26Å; E403-R550 IonicContact OE1-CZ 3.73Å; E403-R550 IonicContact OE1-NH1 2.73Å; E403-R550 IonicContact OE1-NH2 3.65Å; E403-R550 PolarHBondContact OE1-NH2 3.46Å; E403-R550 IonicContact OE2-CZ 3.55Å; E403-R550 IonicContact OE2-NH1 2.98Å; E403-R550 PolarHBondContact OE2-NH1 2.77Å; E403-R550 IonicContact OE2-NH2 3.63Å; E403-R550 PolarHBondContact OE2-NH2 3.16Å; M436-R550 HydrophobicContact CE-CB 4.22Å; T487-R550 PolarHBondContact OG1-NH2 3.1Å; F489-R550 PolarHBondContact O-N 3.38Å; D490-R550 WeakPolarHBondContact CB-O 3.22Å; T548-R550 PolarHBondContact OG1-NE 3.49Å; T548-R550 PolarHBondContact OG1-NH2 3.46Å; R550-D570 HydrophobicContact CG-CB 3.93Å; R550-N571 VanDerWaalsContact CA-O 3.26Å; R550-N571 WeakPolarHBondContact CA-O 3.38Å; R550-N571 HydrophobicContact CG-CB 4.09Å
551P96.3Very high91.2Very high0 Ų018.1 Ų18.10%011%0.106CC..  trans-69.9156.2-174.932-36.3000113D490 I525 F549 C553 A565 A569 S573D490-P551 VanDerWaalsContact OD1-C 3.27Å; D490-P551 WeakPolarHBondContact OD1-CA 3.2Å; I525-P551 HydrophobicContact CD1-CB 3.77Å; I525-P551 HydrophobicContact CD1-CG 4Å; F549-P551 HydrophobicContact CE1-CG 4.21Å; F549-P551 HydrophobicContact CE2-CB 4.33Å; F549-P551 HydrophobicContact CZ-CB 4.09Å; F549-P551 HydrophobicContact CZ-CG 4.18Å; P551-C553 PolarHBondContact O-N 3.46Å; P551-A565 HydrophobicContact CG-CB 4.41Å; P551-A569 HydrophobicContact CG-CB 3.99Å; P551-S573 PolarHBondContact O-N 2.95Å
552H92.6Very high91Very high13 Ų1313.7 Ų13.76%0.069%0.085CC..EExtended strand (participates in β ladder)trans-64.1126.8154.4-68.743.8000108.2H283 H285 R441 D490 S491 V492 Y521 H574H283-H552 AromaticContact CD2-CE1 3.93Å; H283-H552 AromaticContact CD2-NE2 3.98Å; H283-H552 AromaticContact CE1-NE2 3.9Å; H283-H552 AromaticContact NE2-CD2 3.86Å; H283-H552 AromaticContact NE2-CE1 3.34Å; H283-H552 PolarHBondContact NE2-CE1 3.24Å; H283-H552 VanDerWaalsContact NE2-CE1 3.34Å; H283-H552 AromaticContact NE2-NE2 3.03Å; H283-H552 PolarHBondContact NE2-NE2 2.82Å; H285-H552 AromaticContact CE1-CE1 3.68Å; H285-H552 AromaticContact CE1-NE2 3.34Å; H285-H552 PolarHBondContact CE1-NE2 3.36Å; H285-H552 VanDerWaalsContact CE1-NE2 3.34Å; H285-H552 AromaticContact NE2-NE2 3.52Å; R441-H552 PolarHBondContact NH1-O 2.93Å; D490-H552 VanDerWaalsContact CG-ND1 3.29Å; D490-H552 IonicContact OD1-CE1 3.56Å; D490-H552 IonicContact OD1-CG 3.15Å; D490-H552 PolarHBondContact OD1-N 3.29Å; D490-H552 IonicContact OD1-ND1 2.84Å; D490-H552 PolarHBondContact OD1-ND1 3.34Å; D490-H552 IonicContact OD2-CE1 3.64Å; D490-H552 PolarHBondContact OD2-CE1 2.77Å; D490-H552 IonicContact OD2-ND1 3.66Å; D490-H552 PolarHBondContact OD2-ND1 3.1Å; S491-H552 WeakPolarHBondContact O-CB 3.41Å; S491-H552 PolarHBondContact O-N 3.49Å; S491-H552 VanDerWaalsContact O-N 3.15Å; V492-H552 WeakPolarHBondContact CG1-ND1 3.19Å; Y521-H552 PolarHBondContact OH-O 3.37Å; Y521-H552 VanDerWaalsContact OH-O 3.1Å; H552-H574 AromaticContact CD2-CD2 3.57Å; H552-H574 AromaticContact CD2-NE2 3.1Å; H552-H574 PolarHBondContact CD2-NE2 3.02Å; H552-H574 AromaticContact CG-CD2 3.98Å; H552-H574 AromaticContact CG-NE2 3.97Å; H552-H574 AromaticContact NE2-NE2 3.71Å
553C92.1Very high90.9Very high0 Ų011.6 Ų11.60%08%0.078CC..EExtended strand (participates in β ladder)trans-154.1125-175.9-172.70000112.4E495 Y521 P551 H561 A565 I572 S573 G575E495-C553 WeakPolarHBondContact OE1-CA 3.47Å; E495-C553 PolarHBondContact OE1-N 3.18Å; E495-C553 VanDerWaalsContact OE1-N 3.16Å; Y521-C553 WeakPolarHBondContact OH-CB 3.47Å; Y521-C553 PolarHBondContact OH-SG 3Å; P551-C553 PolarHBondContact O-N 3.46Å; C553-H561 PolarHBondContact SG-O 3.48Å; C553-H561 VanDerWaalsContact SG-O 3.35Å; C553-A565 HydrophobicContact CB-CB 3.97Å; C553-A565 WeakPolarHBondContact SG-CB 3.37Å; C553-I572 HydrophobicContact CB-CB 4.04Å; C553-I572 HydrophobicContact CB-CG2 3.85Å; C553-S573 PolarHBondContact N-O 3.2Å; C553-G575 WeakPolarHBondContact O-CA 3.5Å; C553-G575 PolarHBondContact O-N 3.09Å
554G88.5Confident90.9Very high1 Ų18.7 Ų8.71%0.015%0.048CC..SBendtrans72.529.9175.400000113.2E495 A556 G575 L576 N577E495-G554 WeakPolarHBondContact OE2-CA 3.46Å; E495-G554 PolarHBondContact OE2-N 2.92Å; G554-A556 VanDerWaalsContact C-N 3.34Å; G554-G575 CarbonylContact O-C 3.55Å; G554-L576 PolarHBondContact O-N 3.3Å; G554-N577 PolarHBondContact O-N 3.43Å
555E84.9Confident90.9Very high33 Ų337.6 Ų7.615%0.1544%0.042CC..SBendtrans-67-45.3157-167.4-178.3-136.700108.9F349 E495 H574 L576F349-E555 WeakPolarHBondContact CA-OE1 3.36Å; F349-E555 WeakPolarHBondContact CB-OE1 3.37Å; F349-E555 VanDerWaalsContact O-CG 3.29Å; F349-E555 WeakPolarHBondContact O-CG 3.46Å; E495-E555 PolarHBondContact OE2-N 3.36Å; E555-H574 HydrophobicContact CB-CB 3.8Å; E555-H574 HydrophobicContact CG-CB 4.3Å; E555-H574 IonicContact OE1-CE1 2.66Å; E555-H574 PolarHBondContact OE1-CE1 2.75Å; E555-H574 IonicContact OE1-ND1 3.17Å; E555-H574 PolarHBondContact OE1-ND1 3.46Å; E555-H574 IonicContact OE1-NE2 3.78Å; E555-L576 HydrophobicContact CG-CD1 4.25Å
556A81.3Confident90.9Very high9 Ų98.6 Ų8.67%0.0745%0.046CC..SBendtrans-147.1-169.7177.500000110.8E495 G554 N577E495-A556 HydrophobicContact CB-CB 4.08Å; E495-A556 WeakPolarHBondContact CB-O 3.12Å; E495-A556 PolarHBondContact OE2-N 2.89Å; G554-A556 VanDerWaalsContact C-N 3.34Å; A556-N577 PolarHBondContact O-ND2 3.41Å; A556-N577 VanDerWaalsContact O-ND2 3.11Å
557G82.7Confident90.8Very high11 Ų118.6 Ų8.611%0.1135%0.046CC..SBendtrans72.5-167.1176.200000115.1E495 N577E495-G557 WeakPolarHBondContact O-CA 3.38Å; E495-G557 PolarHBondContact O-N 3.34Å; G557-N577 PolarHBondContact O-ND2 2.69Å
558A82.6Confident90.7Very high6 Ų68.6 Ų8.65%0.055%0.046CC..  trans-76.1150.9-167.900000114.2T560 H561A558-T560 PolarHBondContact O-N 3.11Å; A558-T560 VanDerWaalsContact O-N 3.15Å; A558-H561 WeakPolarHBondContact O-CB 3.38Å; A558-H561 VanDerWaalsContact O-CG 3.31Å; A558-H561 PolarHBondContact O-N 2.66Å
559I81.7Confident90.7Very high28 Ų288.5 Ų8.514%0.1445%0.046CC..THydrogen-bonded Turntrans-58.4-31.1179.9-61.2178.9000111.9I231 H561 L562 L563 V581I231-I559 HydrophobicContact CD1-CG2 3.77Å; I559-H561 PolarHBondContact O-N 3.39Å; I559-H561 VanDerWaalsContact O-N 3.11Å; I559-L562 WeakPolarHBondContact O-CB 3.28Å; I559-L562 PolarHBondContact O-N 3.28Å; I559-L563 PolarHBondContact O-N 3.35Å; I559-V581 HydrophobicContact CD1-CG2 4.25Å; I559-V581 HydrophobicContact CG1-CG2 4.1Å; I559-V581 HydrophobicContact CG2-CG1 4.19Å; I559-V581 HydrophobicContact CG2-CG2 4.06Å
560T83.9Confident90.6Very high6 Ų610 Ų104%0.0375%0.054CC..Hα-helixtrans-63.2-16.9177.658.70000114.7F21 I228 A558 L562 L563 A564F21-T560 HydrophobicContact CD2-CG2 3.85Å; F21-T560 HydrophobicContact CE2-CG2 4.25Å; I228-T560 HydrophobicContact CD1-CG2 4.36Å; I228-T560 HydrophobicContact CG1-CG2 4.21Å; A558-T560 PolarHBondContact O-N 3.11Å; A558-T560 VanDerWaalsContact O-N 3.15Å; T560-L562 VanDerWaalsContact C-N 3.31Å; T560-L563 HydrophobicContact CG2-CD1 4.35Å; T560-L563 PolarHBondContact O-N 3.44Å; T560-A564 PolarHBondContact O-N 3.36Å
561H89.5Confident90.4Very high13 Ų1313 Ų136%0.067%0.072CC..Hα-helixtrans-59.7-45.8169.2-63.4179.8000110.6Y521 C553 A558 I559 L563 A564 A565Y521-H561 VanDerWaalsContact CB-CD2 3.41Å; Y521-H561 WeakPolarHBondContact CB-CD2 3.42Å; Y521-H561 WeakPolarHBondContact CB-NE2 3.45Å; Y521-H561 HydrophobicContact CD1-CB 3.61Å; Y521-H561 AromaticContact CD1-CD2 3.61Å; Y521-H561 AromaticContact CD1-CG 3.62Å; Y521-H561 HydrophobicContact CD2-CB 4.36Å; Y521-H561 AromaticContact CD2-CG 3.93Å; Y521-H561 AromaticContact CD2-ND1 3.94Å; Y521-H561 VanDerWaalsContact CE1-CA 3.47Å; Y521-H561 HydrophobicContact CE1-CB 3.55Å; Y521-H561 VanDerWaalsContact CE1-O 3.29Å; Y521-H561 WeakPolarHBondContact CE1-O 3.35Å; Y521-H561 HydrophobicContact CE2-CB 4.31Å; Y521-H561 HydrophobicContact CG-CB 4.05Å; Y521-H561 AromaticContact CG-CD2 3.49Å; Y521-H561 VanDerWaalsContact CG-CD2 3.49Å; Y521-H561 AromaticContact CG-CG 3.58Å; Y521-H561 AromaticContact CG-ND1 3.99Å; Y521-H561 AromaticContact CG-NE2 3.85Å; C553-H561 PolarHBondContact SG-O 3.48Å; C553-H561 VanDerWaalsContact SG-O 3.35Å; A558-H561 WeakPolarHBondContact O-CB 3.38Å; A558-H561 VanDerWaalsContact O-CG 3.31Å; A558-H561 PolarHBondContact O-N 2.66Å; I559-H561 PolarHBondContact O-N 3.39Å; I559-H561 VanDerWaalsContact O-N 3.11Å; H561-L563 VanDerWaalsContact C-N 3.33Å; H561-L563 PolarHBondContact O-N 2.83Å; H561-A564 PolarHBondContact O-N 2.9Å; H561-A565 PolarHBondContact O-N 3.15Å
562L90.4Very high90.3Very high9 Ų915.1 Ų15.15%0.0478%0.083CC..Hα-helixtrans-69.7-28.6-178.6-69.1151.8000112.4I559 T560 F566 I572 N577 L578 V581I559-L562 WeakPolarHBondContact O-CB 3.28Å; I559-L562 PolarHBondContact O-N 3.28Å; T560-L562 VanDerWaalsContact C-N 3.31Å; L562-F566 WeakPolarHBondContact O-CB 3.28Å; L562-F566 PolarHBondContact O-N 3.08Å; L562-I572 HydrophobicContact CD2-CD1 3.83Å; L562-N577 HydrophobicContact CD1-CB 3.79Å; L562-L578 HydrophobicContact CB-CD2 4.47Å; L562-L578 HydrophobicContact CD1-CD2 3.84Å; L562-L578 HydrophobicContact CD1-CG 4.37Å; L562-L578 HydrophobicContact CD2-CD1 4.45Å; L562-L578 HydrophobicContact CD2-CD2 3.83Å; L562-L578 HydrophobicContact CD2-CG 3.96Å; L562-L578 HydrophobicContact CG-CD2 4.26Å; L562-V581 HydrophobicContact CD1-CG2 4.04Å
563L91.3Very high90.1Very high4 Ų414.9 Ų14.92%0.0218%0.082CC..Hα-helixtrans-66.7-46.6171.3-62.6-174.9000112L227 I228 I231 I559 T560 H561 A565 F566 M567L227-L563 HydrophobicContact CB-CD1 4.35Å; L227-L563 HydrophobicContact CB-CD2 4.27Å; I228-L563 HydrophobicContact CB-CD1 4.24Å; I228-L563 HydrophobicContact CG1-CD1 3.46Å; I228-L563 VanDerWaalsContact CG1-CD1 3.46Å; I231-L563 HydrophobicContact CD1-CD1 3.85Å; I231-L563 HydrophobicContact CD1-CD2 4.32Å; I231-L563 HydrophobicContact CD1-CG 4.34Å; I231-L563 HydrophobicContact CG1-CD1 4.32Å; I231-L563 HydrophobicContact CG2-CD2 3.87Å; I559-L563 PolarHBondContact O-N 3.35Å; T560-L563 HydrophobicContact CG2-CD1 4.35Å; T560-L563 PolarHBondContact O-N 3.44Å; H561-L563 VanDerWaalsContact C-N 3.33Å; H561-L563 PolarHBondContact O-N 2.83Å; L563-A565 VanDerWaalsContact C-N 3.34Å; L563-A565 PolarHBondContact O-N 3.48Å; L563-F566 PolarHBondContact O-N 3.34Å; L563-M567 WeakPolarHBondContact O-CG 3.42Å; L563-M567 PolarHBondContact O-N 3.39Å
564A92.8Very high90Very high0 Ų017.9 Ų17.90%010%0.096CC..Hα-helixtrans-60.6-45.4177.900000110.7Y521 T522 I525 T560 H561 M567 T568Y521-A564 HydrophobicContact CE1-CB 4.35Å; T522-A564 HydrophobicContact CG2-CB 3.95Å; I525-A564 HydrophobicContact CB-CB 4.31Å; I525-A564 HydrophobicContact CG2-CB 3.85Å; T560-A564 PolarHBondContact O-N 3.36Å; H561-A564 PolarHBondContact O-N 2.9Å; A564-M567 WeakPolarHBondContact O-CB 3.41Å; A564-M567 PolarHBondContact O-N 2.72Å; A564-T568 PolarHBondContact O-N 3.28Å; A564-T568 PolarHBondContact O-OG1 2.99Å
565A94.9Very high90Very high1 Ų118.4 Ų18.41%0.00810%0.101CC..Hα-helixtrans-68.2-37.5175.800000113.3P551 C553 H561 L563 M567 T568 A569 I572P551-A565 HydrophobicContact CG-CB 4.41Å; C553-A565 HydrophobicContact CB-CB 3.97Å; C553-A565 WeakPolarHBondContact SG-CB 3.37Å; H561-A565 PolarHBondContact O-N 3.15Å; L563-A565 VanDerWaalsContact C-N 3.34Å; L563-A565 PolarHBondContact O-N 3.48Å; A565-M567 PolarHBondContact O-N 3.48Å; A565-T568 PolarHBondContact O-N 3.22Å; A565-A569 HydrophobicContact CB-CB 4.12Å; A565-A569 WeakPolarHBondContact O-CA 3.25Å; A565-A569 WeakPolarHBondContact O-CB 3.24Å; A565-A569 PolarHBondContact O-N 3.07Å; A565-I572 HydrophobicContact CB-CG2 3.68Å
566F95.4Very high90.1Very high22 Ų2221 Ų2110%0.09612%0.116CC..Hα-helixtrans-59.2-34.8173.5169.8-98000111.9A123 R127 L227 L562 L563 F587A123-F566 HydrophobicContact CB-CE1 4.22Å; A123-F566 HydrophobicContact CB-CZ 4.39Å; A123-F566 WeakPolarHBondContact O-CE1 3.37Å; A123-F566 WeakPolarHBondContact O-CZ 3.49Å; R127-F566 HydrophobicContact CB-CE1 3.97Å; R127-F566 HydrophobicContact CB-CE2 4.14Å; R127-F566 HydrophobicContact CB-CZ 3.71Å; R127-F566 VanDerWaalsContact CD-CE2 3.45Å; R127-F566 WeakPolarHBondContact CD-O 3.19Å; R127-F566 HydrophobicContact CG-CE2 4.38Å; R127-F566 HydrophobicContact CG-CZ 4.44Å; R127-F566 VanDerWaalsContact CG-O 3.31Å; R127-F566 WeakPolarHBondContact CG-O 3.36Å; R127-F566 PolarHBondContact NH1-O 3.4Å; L227-F566 HydrophobicContact CD1-CD1 3.94Å; L227-F566 HydrophobicContact CD1-CE1 4.26Å; L227-F566 HydrophobicContact CD2-CE1 4.25Å; L562-F566 WeakPolarHBondContact O-CB 3.28Å; L562-F566 PolarHBondContact O-N 3.08Å; L563-F566 PolarHBondContact O-N 3.34Å; F566-F587 HydrophobicContact CB-CE2 4.14Å; F566-F587 HydrophobicContact CB-CZ 4.34Å; F566-F587 HydrophobicContact CD1-CE2 4.42Å; F566-F587 AromaticContact CD1-CZ 3.97Å; F566-F587 HydrophobicContact CD1-CZ 3.97Å; F566-F587 HydrophobicContact CD2-CD1 4.25Å; F566-F587 AromaticContact CD2-CE1 3.47Å; F566-F587 HydrophobicContact CD2-CE1 3.47Å; F566-F587 VanDerWaalsContact CD2-CE1 3.47Å; F566-F587 AromaticContact CD2-CE2 3.81Å; F566-F587 HydrophobicContact CD2-CE2 3.81Å; F566-F587 AromaticContact CD2-CZ 3.21Å; F566-F587 HydrophobicContact CD2-CZ 3.21Å; F566-F587 HydrophobicContact CE1-CZ 4.07Å; F566-F587 HydrophobicContact CE2-CD1 4.36Å; F566-F587 AromaticContact CE2-CE1 3.33Å; F566-F587 HydrophobicContact CE2-CE1 3.33Å; F566-F587 HydrophobicContact CE2-CE2 4.36Å; F566-F587 AromaticContact CE2-CZ 3.34Å; F566-F587 HydrophobicContact CE2-CZ 3.34Å; F566-F587 HydrophobicContact CG-CE1 4.28Å; F566-F587 AromaticContact CG-CE2 3.84Å; F566-F587 HydrophobicContact CG-CE2 3.84Å; F566-F587 AromaticContact CG-CZ 3.55Å; F566-F587 HydrophobicContact CG-CZ 3.55Å; F566-F587 HydrophobicContact CZ-CE1 4.04Å; F566-F587 AromaticContact CZ-CZ 3.78Å; F566-F587 HydrophobicContact CZ-CZ 3.78Å
567M95.6Very high90.2Very high0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-70.1-53.6171.2-64.6170.166.600111.7I126 Y130 M131 F220 D223 M224 L227 L563 A564 A565I126-M567 HydrophobicContact CG2-CE 4.44Å; I126-M567 HydrophobicContact CG2-CG 4.05Å; Y130-M567 WeakPolarHBondContact CB-O 3.21Å; Y130-M567 HydrophobicContact CD2-CB 4.1Å; Y130-M567 HydrophobicContact CD2-CE 4.27Å; Y130-M567 HydrophobicContact CE2-CB 4.47Å; Y130-M567 HydrophobicContact CE2-CE 3.53Å; M131-M567 WeakPolarHBondContact CE-O 3.47Å; F220-M567 HydrophobicContact CD2-CE 3.47Å; F220-M567 VanDerWaalsContact CD2-CE 3.47Å; F220-M567 HydrophobicContact CE2-CE 3.52Å; F220-M567 HydrophobicContact CE2-SD 4.2Å; F220-M567 HydrophobicContact CG-CE 4.14Å; F220-M567 HydrophobicContact CZ-CE 4.21Å; F220-M567 HydrophobicContact CZ-SD 4.46Å; D223-M567 HydrophobicContact CB-CE 3.56Å; M224-M567 HydrophobicContact CB-CE 4.38Å; M224-M567 HydrophobicContact CB-SD 3.87Å; M224-M567 HydrophobicContact CG-SD 4.38Å; L227-M567 HydrophobicContact CD1-CG 3.49Å; L227-M567 VanDerWaalsContact CD1-CG 3.49Å; L227-M567 HydrophobicContact CD1-SD 3.79Å; L563-M567 WeakPolarHBondContact O-CG 3.42Å; L563-M567 PolarHBondContact O-N 3.39Å; A564-M567 WeakPolarHBondContact O-CB 3.41Å; A564-M567 PolarHBondContact O-N 2.72Å; A565-M567 PolarHBondContact O-N 3.48Å
568T96.7Very high90.3Very high0 Ų021.8 Ų21.80%012%0.116CC..Hα-helixtrans-101.1-23.2-161.962.20000116.5Q136 F220 I525 Y529 A564 A565Q136-T568 PolarHBondContact NE2-O 3.4Å; F220-T568 HydrophobicContact CE2-CG2 3.75Å; F220-T568 HydrophobicContact CZ-CG2 4.42Å; I525-T568 HydrophobicContact CG2-CG2 4.05Å; I525-T568 WeakPolarHBondContact CG2-OG1 3.49Å; Y529-T568 HydrophobicContact CD1-CG2 3.81Å; Y529-T568 VanDerWaalsContact CD2-CB 3.5Å; Y529-T568 HydrophobicContact CD2-CG2 3.99Å; Y529-T568 VanDerWaalsContact CD2-O 3.27Å; Y529-T568 WeakPolarHBondContact CD2-O 3.42Å; Y529-T568 HydrophobicContact CG-CG2 3.55Å; A564-T568 PolarHBondContact O-N 3.28Å; A564-T568 PolarHBondContact O-OG1 2.99Å; A565-T568 PolarHBondContact O-N 3.22Å
569A96.8Very high90Very high1 Ų128.4 Ų28.41%0.00814%0.144CC..  trans-93.5137.1-167.800000113.3R127 M131 F549 P551 A565 I572R127-A569 VanDerWaalsContact CZ-O 3.25Å; R127-A569 PolarHBondContact NH1-O 3.38Å; R127-A569 PolarHBondContact NH2-O 3.14Å; M131-A569 WeakPolarHBondContact CE-O 3.18Å; F549-A569 CarbonylContact O-C 3.49Å; F549-A569 WeakPolarHBondContact O-CA 3.25Å; P551-A569 HydrophobicContact CG-CB 3.99Å; A565-A569 HydrophobicContact CB-CB 4.12Å; A565-A569 WeakPolarHBondContact O-CA 3.25Å; A565-A569 WeakPolarHBondContact O-CB 3.24Å; A565-A569 PolarHBondContact O-N 3.07Å; A569-I572 HydrophobicContact CB-CG2 4.16Å
570D95.9Very high89.3Confident32 Ų3230.6 Ų30.617%0.17115%0.152CC..SBendtrans-62.8-49.7172.1-176.588.4000110.3R127 Q136 H137 T548 F549 R550R127-D570 PolarHBondContact NH2-O 2.99Å; R127-D570 VanDerWaalsContact NH2-O 3.08Å; Q136-D570 HydrophobicContact CB-CB 4.12Å; Q136-D570 WeakPolarHBondContact CB-OD1 3.35Å; Q136-D570 HydrophobicContact CG-CB 3.97Å; H137-D570 PolarHBondContact N-OD1 3.21Å; T548-D570 HydrophobicContact CG2-CB 4.39Å; F549-D570 PolarHBondContact O-N 3.09Å; R550-D570 HydrophobicContact CG-CB 3.93Å
571N93.2Very high88Confident85 Ų8530.5 Ų30.546%0.45515%0.151SC..SBendtrans-143.8165.2172.5-172.416.9000109.1R550R550-N571 VanDerWaalsContact CA-O 3.26Å; R550-N571 WeakPolarHBondContact CA-O 3.38Å; R550-N571 HydrophobicContact CG-CB 4.09Å
572I93.5Very high85.9Confident44 Ų4431.9 Ų31.923%0.22616%0.162CC..  trans-115.5148173.659.8174.4000111.6C553 L562 A565 A569 L578C553-I572 HydrophobicContact CB-CB 4.04Å; C553-I572 HydrophobicContact CB-CG2 3.85Å; L562-I572 HydrophobicContact CD2-CD1 3.83Å; A565-I572 HydrophobicContact CB-CG2 3.68Å; A569-I572 HydrophobicContact CB-CG2 4.16Å; I572-L578 HydrophobicContact CD1-CD1 4.22Å
573S89.4Confident83.4Confident7 Ų738.9 Ų38.95%0.04920%0.195CC..EExtended strand (participates in β ladder)trans-88.5139.4165.4-44.30000108.8R405 P551 C553 G575R405-S573 PolarHBondContact NH2-OG 2.76Å; R405-S573 VanDerWaalsContact NH2-OG 3.1Å; P551-S573 PolarHBondContact O-N 2.95Å; C553-S573 PolarHBondContact N-O 3.2Å; S573-G575 PolarHBondContact O-N 3.46Å
574H89Confident80.8Confident64 Ų6443.6 Ų43.630%0.29622%0.217SC..EExtended strand (participates in β ladder)trans73.7-87.3-172.1-49.1-95.4000117.5H283 H552 E555 L576H283-H574 AromaticContact CE1-CD2 3.69Å; H283-H574 AromaticContact CE1-CE1 3.68Å; H283-H574 AromaticContact CE1-NE2 3.34Å; H283-H574 PolarHBondContact CE1-NE2 3.17Å; H283-H574 VanDerWaalsContact CE1-NE2 3.34Å; H283-H574 AromaticContact NE2-NE2 3.82Å; H552-H574 AromaticContact CD2-CD2 3.57Å; H552-H574 AromaticContact CD2-NE2 3.1Å; H552-H574 PolarHBondContact CD2-NE2 3.02Å; H552-H574 AromaticContact CG-CD2 3.98Å; H552-H574 AromaticContact CG-NE2 3.97Å; H552-H574 AromaticContact NE2-NE2 3.71Å; E555-H574 HydrophobicContact CB-CB 3.8Å; E555-H574 HydrophobicContact CG-CB 4.3Å; E555-H574 IonicContact OE1-CE1 2.66Å; E555-H574 PolarHBondContact OE1-CE1 2.75Å; E555-H574 IonicContact OE1-ND1 3.17Å; E555-H574 PolarHBondContact OE1-ND1 3.46Å; E555-H574 IonicContact OE1-NE2 3.78Å; H574-L576 VanDerWaalsContact C-N 3.25Å; H574-L576 HydrophobicContact CB-CG 4.43Å; H574-L576 PolarHBondContact O-N 2.89Å
575G88.6Confident78.3Confident11 Ų1143.9 Ų43.911%0.11322%0.219CC..  trans65.214.1-172.500000116.5C553 G554 S573 N577 L578C553-G575 WeakPolarHBondContact O-CA 3.5Å; C553-G575 PolarHBondContact O-N 3.09Å; G554-G575 CarbonylContact O-C 3.55Å; S573-G575 PolarHBondContact O-N 3.46Å; G575-N577 VanDerWaalsContact C-N 3.3Å; G575-N577 PolarHBondContact O-N 3.12Å; G575-L578 WeakPolarHBondContact O-CB 3.25Å; G575-L578 VanDerWaalsContact O-CG 3.29Å; G575-L578 WeakPolarHBondContact O-CG 3.41Å; G575-L578 PolarHBondContact O-N 2.68Å
576L87Confident75.6Confident88 Ų8846.1 Ų46.146%0.46123%0.228SC..G310 helixtrans-55.3-40.4-177.9-63.3178.6000113.7G554 E555 H574 L578 K579G554-L576 PolarHBondContact O-N 3.3Å; E555-L576 HydrophobicContact CG-CD1 4.25Å; H574-L576 VanDerWaalsContact C-N 3.25Å; H574-L576 HydrophobicContact CB-CG 4.43Å; H574-L576 PolarHBondContact O-N 2.89Å; L576-L578 PolarHBondContact O-N 3.16Å; L576-L578 VanDerWaalsContact O-N 3.09Å; L576-K579 PolarHBondContact O-N 2.97Å
577N84.6Confident72.7Confident7 Ų747.7 Ų47.74%0.03724%0.235CC..G310 helixtrans-57.6-23177.3-96.4-16000112.3G554 A556 G557 L562 G575 K579 K580 V581G554-N577 PolarHBondContact O-N 3.43Å; A556-N577 PolarHBondContact O-ND2 3.41Å; A556-N577 VanDerWaalsContact O-ND2 3.11Å; G557-N577 PolarHBondContact O-ND2 2.69Å; L562-N577 HydrophobicContact CD1-CB 3.79Å; G575-N577 VanDerWaalsContact C-N 3.3Å; G575-N577 PolarHBondContact O-N 3.12Å; N577-K579 PolarHBondContact O-N 3.19Å; N577-K580 WeakPolarHBondContact O-CA 3.25Å; N577-K580 WeakPolarHBondContact O-CB 3.32Å; N577-K580 PolarHBondContact O-N 3.26Å; N577-K580 VanDerWaalsContact OD1-CD 3.28Å; N577-K580 WeakPolarHBondContact OD1-CD 2.97Å; N577-K580 VanDerWaalsContact OD1-CE 3.29Å; N577-K580 WeakPolarHBondContact OD1-CE 3.05Å; N577-K580 PolarHBondContact OD1-NZ 2.73Å; N577-V581 VanDerWaalsContact O-CG2 3.24Å; N577-V581 WeakPolarHBondContact O-CG2 3.42Å; N577-V581 PolarHBondContact O-N 3.13Å
578L83.9Confident69.5Low29 Ų2958.8 Ų58.815%0.15229%0.287CS..G310 helixtrans-57.6-10172.4-63.9-179.4000114.1L562 I572 G575 L576 V581 S582 F587L562-L578 HydrophobicContact CB-CD2 4.47Å; L562-L578 HydrophobicContact CD1-CD2 3.84Å; L562-L578 HydrophobicContact CD1-CG 4.37Å; L562-L578 HydrophobicContact CD2-CD1 4.45Å; L562-L578 HydrophobicContact CD2-CD2 3.83Å; L562-L578 HydrophobicContact CD2-CG 3.96Å; L562-L578 HydrophobicContact CG-CD2 4.26Å; I572-L578 HydrophobicContact CD1-CD1 4.22Å; G575-L578 WeakPolarHBondContact O-CB 3.25Å; G575-L578 VanDerWaalsContact O-CG 3.29Å; G575-L578 WeakPolarHBondContact O-CG 3.41Å; G575-L578 PolarHBondContact O-N 2.68Å; L576-L578 PolarHBondContact O-N 3.16Å; L576-L578 VanDerWaalsContact O-N 3.09Å; L578-V581 HydrophobicContact CD2-CB 4.41Å; L578-V581 HydrophobicContact CD2-CG2 4.26Å; L578-V581 CarbonylContact O-C 3.58Å; L578-S582 VanDerWaalsContact O-CB 3.23Å; L578-S582 WeakPolarHBondContact O-CB 3.37Å; L578-S582 PolarHBondContact O-N 2.91Å; L578-F587 HydrophobicContact CD1-CB 3.99Å; L578-F587 HydrophobicContact CD2-CB 3.71Å; L578-F587 HydrophobicContact CD2-CD2 4.49Å; L578-F587 HydrophobicContact CG-CB 4.43Å
579K76Confident68.2Low146 Ų14661.8 Ų61.864%0.63530%0.302SS*.G310 helixtrans-81.1-41.9166.8-63.5179.8-177.6177.40113.6L576 N577 V581 S582 Q583L576-K579 PolarHBondContact O-N 2.97Å; N577-K579 PolarHBondContact O-N 3.19Å; K579-V581 PolarHBondContact O-N 3.2Å; K579-S582 WeakPolarHBondContact CA-OG 3.31Å; K579-S582 PolarHBondContact O-N 3.18Å; K579-S582 PolarHBondContact O-OG 2.85Å; K579-Q583 PolarHBondContact O-N 3.45Å
580K67.6Low66.7Low73 Ų7364.9 Ų64.932%0.31732%0.317SS..Hα-helixtrans-58.5-44.4166-58.2-179.3-175.3162.90108.4E33 N577 S582 Q583 E584E33-K580 WeakPolarHBondContact OE1-CE 3.46Å; E33-K580 IonicContact OE1-NZ 2.75Å; E33-K580 PolarHBondContact OE1-NZ 3.07Å; N577-K580 WeakPolarHBondContact O-CA 3.25Å; N577-K580 WeakPolarHBondContact O-CB 3.32Å; N577-K580 PolarHBondContact O-N 3.26Å; N577-K580 VanDerWaalsContact OD1-CD 3.28Å; N577-K580 WeakPolarHBondContact OD1-CD 2.97Å; N577-K580 VanDerWaalsContact OD1-CE 3.29Å; N577-K580 WeakPolarHBondContact OD1-CE 3.05Å; N577-K580 PolarHBondContact OD1-NZ 2.73Å; K580-S582 VanDerWaalsContact C-N 3.35Å; K580-S582 PolarHBondContact O-N 2.92Å; K580-Q583 PolarHBondContact O-N 3.26Å; K580-E584 PolarHBondContact O-N 2.98Å
581V57.2Low65Low4 Ų466.8 Ų66.82%0.02433%0.325CS..Hα-helixtrans-70.8-18.9173.4-144.60000113.1I559 L562 N577 L578 K579 T585 F586I559-V581 HydrophobicContact CD1-CG2 4.25Å; I559-V581 HydrophobicContact CG1-CG2 4.1Å; I559-V581 HydrophobicContact CG2-CG1 4.19Å; I559-V581 HydrophobicContact CG2-CG2 4.06Å; L562-V581 HydrophobicContact CD1-CG2 4.04Å; N577-V581 VanDerWaalsContact O-CG2 3.24Å; N577-V581 WeakPolarHBondContact O-CG2 3.42Å; N577-V581 PolarHBondContact O-N 3.13Å; L578-V581 HydrophobicContact CD2-CB 4.41Å; L578-V581 HydrophobicContact CD2-CG2 4.26Å; L578-V581 CarbonylContact O-C 3.58Å; K579-V581 PolarHBondContact O-N 3.2Å; V581-T585 CarbonylContact O-C 3.57Å; V581-T585 WeakPolarHBondContact O-CA 3.47Å; V581-T585 PolarHBondContact O-N 3.08Å; V581-T585 VanDerWaalsContact O-O 3.11Å; V581-F586 PolarHBondContact O-N 2.78Å
582S44.8Very low63.4Low42 Ų4265.7 Ų65.729%0.29432%0.317SS..Hα-helixtrans-86-17.9172.973.70000113.4H241 L578 K579 K580H241-S582 PolarHBondContact ND1-O 2.65Å; L578-S582 VanDerWaalsContact O-CB 3.23Å; L578-S582 WeakPolarHBondContact O-CB 3.37Å; L578-S582 PolarHBondContact O-N 2.91Å; K579-S582 WeakPolarHBondContact CA-OG 3.31Å; K579-S582 PolarHBondContact O-N 3.18Å; K579-S582 PolarHBondContact O-OG 2.85Å; K580-S582 VanDerWaalsContact C-N 3.35Å; K580-S582 PolarHBondContact O-N 2.92Å
583Q37.3Very low61.5Low156 Ų15667.1 Ų67.173%0.72932%0.323SS*.Hα-helixtrans-83.1-26.6168.6-68.5-179.2-13.200112.5K579 K580K579-Q583 PolarHBondContact O-N 3.45Å; K580-Q583 PolarHBondContact O-N 3.26Å
584E37.2Very low59.6Low104 Ų10471.1 Ų71.149%0.48634%0.341SS..Hα-helixtrans-128.6-7.9-176.3-58.7-168.8120.100117K237 K580K237-E584 WeakPolarHBondContact CD-O 3.3Å; K237-E584 WeakPolarHBondContact CE-O 3.44Å; K237-E584 VanDerWaalsContact CG-O 3.29Å; K237-E584 WeakPolarHBondContact CG-O 3.46Å; K237-E584 PolarHBondContact NZ-O 3.22Å; K580-E584 PolarHBondContact O-N 2.98Å
585T39.3Very low57.5Low6 Ų671.6 Ų71.64%0.03735%0.345CS..SBendtrans-161-107.2166-38.20000114.6I231 K237 T240 V581I231-T585 HydrophobicContact CB-CG2 3.8Å; I231-T585 HydrophobicContact CG2-CG2 3.96Å; I231-T585 PolarHBondContact O-OG1 2.96Å; K237-T585 VanDerWaalsContact CE-OG1 3.27Å; K237-T585 WeakPolarHBondContact CE-OG1 3.44Å; K237-T585 HydrophobicContact CG-CG2 3.93Å; K237-T585 PolarHBondContact NZ-OG1 3.42Å; T240-T585 PolarHBondContact OG1-O 3.24Å; V581-T585 CarbonylContact O-C 3.57Å; V581-T585 WeakPolarHBondContact O-CA 3.47Å; V581-T585 PolarHBondContact O-N 3.08Å; V581-T585 VanDerWaalsContact O-O 3.11Å
586F39.2Very low55.2Low48 Ų4876.2 Ų76.221%0.21136%0.362CS..  trans-152.5142-172.6-146.6-126.8000116.9T240 L244 V581T240-F586 VanDerWaalsContact CB-CD2 3.41Å; T240-F586 HydrophobicContact CG2-CD2 3.87Å; T240-F586 HydrophobicContact CG2-CE2 3.96Å; T240-F586 HydrophobicContact CG2-CG 4.23Å; T240-F586 HydrophobicContact CG2-CZ 4.49Å; L244-F586 HydrophobicContact CD1-CD2 3.69Å; L244-F586 HydrophobicContact CD1-CE2 3.8Å; L244-F586 HydrophobicContact CD2-CD2 4.46Å; L244-F586 HydrophobicContact CD2-CE2 3.82Å; L244-F586 HydrophobicContact CD2-CZ 4.32Å; L244-F586 HydrophobicContact CG-CD2 4.07Å; L244-F586 HydrophobicContact CG-CE2 3.62Å; V581-F586 PolarHBondContact O-N 2.78Å
587F34.3Very low52.5Low55 Ų5575.3 Ų75.324%0.24135%0.354CS..  176150.9113.5-88.1-67.8000110.3F566 L578F566-F587 HydrophobicContact CB-CE2 4.14Å; F566-F587 HydrophobicContact CB-CZ 4.34Å; F566-F587 HydrophobicContact CD1-CE2 4.42Å; F566-F587 AromaticContact CD1-CZ 3.97Å; F566-F587 HydrophobicContact CD1-CZ 3.97Å; F566-F587 HydrophobicContact CD2-CD1 4.25Å; F566-F587 AromaticContact CD2-CE1 3.47Å; F566-F587 HydrophobicContact CD2-CE1 3.47Å; F566-F587 VanDerWaalsContact CD2-CE1 3.47Å; F566-F587 AromaticContact CD2-CE2 3.81Å; F566-F587 HydrophobicContact CD2-CE2 3.81Å; F566-F587 AromaticContact CD2-CZ 3.21Å; F566-F587 HydrophobicContact CD2-CZ 3.21Å; F566-F587 HydrophobicContact CE1-CZ 4.07Å; F566-F587 HydrophobicContact CE2-CD1 4.36Å; F566-F587 AromaticContact CE2-CE1 3.33Å; F566-F587 HydrophobicContact CE2-CE1 3.33Å; F566-F587 HydrophobicContact CE2-CE2 4.36Å; F566-F587 AromaticContact CE2-CZ 3.34Å; F566-F587 HydrophobicContact CE2-CZ 3.34Å; F566-F587 HydrophobicContact CG-CE1 4.28Å; F566-F587 AromaticContact CG-CE2 3.84Å; F566-F587 HydrophobicContact CG-CE2 3.84Å; F566-F587 AromaticContact CG-CZ 3.55Å; F566-F587 HydrophobicContact CG-CZ 3.55Å; F566-F587 HydrophobicContact CZ-CE1 4.04Å; F566-F587 AromaticContact CZ-CZ 3.78Å; F566-F587 HydrophobicContact CZ-CZ 3.78Å; L578-F587 HydrophobicContact CD1-CB 3.99Å; L578-F587 HydrophobicContact CD2-CB 3.71Å; L578-F587 HydrophobicContact CD2-CD2 4.49Å; L578-F587 HydrophobicContact CG-CB 4.43Å
588Q28.7Very low49.6Very low233 Ų23381.5 Ų81.5100%1.08938%0.383SS*.  trans-156.20154.2-149.81779.800108.9

Retrieved 588 of 588 residues in 984.4 ms (Link to these results)

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